# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ec8ac5bc-e8f9-425e-8d28-9b6c7964acf5/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Na21S7Cl(O14F3)2 / P31m (157) / materials id 680169](https://mdr.nims.go.jp/datasets/da601dcf-e070-4289-93ea-df967b4d04d8) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P31m" number: 157 Hall_symbol: "P 3 -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.190746700000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.095373340000000, 10.557496329999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.291269369999998 ] # c points: - symbol: Na # 1 coordinates: [ 0.664580810000000, 0.510988270000000, 0.935315290000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.822925420000000, 0.097202520000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.188962240000000, 0.928860260000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.521530530000000, 0.852738390000000, 0.104139660000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.179083060000000, 0.648315580000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.839915310000000, 0.173019470000000, 0.515397170000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.826980530000000, 0.666895840000000, 0.515397170000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.820916940000000, 0.820916940000000, 0.648315580000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.486940790000000, 0.792591220000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.333104160000000, 0.160084690000000, 0.515397170000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.668792140000000, 0.147261610000000, 0.104139660000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.483999900000000, 0.150309270000000, 0.653560320000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.515663530000000, 0.847910810000000, 0.385124790000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.849472770000000, 0.183599380000000, 0.795186870000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.516000100000000, 0.666309370000000, 0.653560320000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.177074580000000, 0.177074580000000, 0.097202520000000 ] mass: 22.989769 - symbol: Na # 17 coordinates: [ 0.822925420000000, 0.000000000000000, 0.097202520000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.147261610000000, 0.668792140000000, 0.104139660000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.332505860000000, 0.180187520000000, 0.239223160000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.667752690000000, 0.152089190000000, 0.385124790000000 ] mass: 22.989769 - symbol: Na # 21 coordinates: [ 0.160084690000000, 0.333104160000000, 0.515397170000000 ] mass: 22.989769 - symbol: Na # 22 coordinates: [ 0.180187520000000, 0.332505860000000, 0.239223160000000 ] mass: 22.989769 - symbol: Na # 23 coordinates: [ 0.153592550000000, 0.489011730000000, 0.935315290000000 ] mass: 22.989769 - symbol: Na # 24 coordinates: [ 0.188962240000000, 0.000000000000000, 0.928860260000000 ] mass: 22.989769 - symbol: Na # 25 coordinates: [ 0.517409500000000, 0.000000000000000, 0.236689880000000 ] mass: 22.989769 - symbol: Na # 26 coordinates: [ 0.847910810000000, 0.515663530000000, 0.385124790000000 ] mass: 22.989769 - symbol: Na # 27 coordinates: [ 0.000000000000000, 0.817473850000000, 0.378876190000000 ] mass: 22.989769 - symbol: Na # 28 coordinates: [ 0.183599380000000, 0.849472770000000, 0.795186870000000 ] mass: 22.989769 - symbol: Na # 29 coordinates: [ 0.510988270000000, 0.664580810000000, 0.935315290000000 ] mass: 22.989769 - symbol: Na # 30 coordinates: [ 0.665873390000000, 0.816400620000000, 0.795186870000000 ] mass: 22.989769 - symbol: Na # 31 coordinates: [ 0.517511800000000, 0.000000000000000, 0.517656120000000 ] mass: 22.989769 - symbol: Na # 32 coordinates: [ 0.179083060000000, 0.000000000000000, 0.648315580000000 ] mass: 22.989769 - symbol: Na # 33 coordinates: [ 0.816400620000000, 0.665873390000000, 0.795186870000000 ] mass: 22.989769 - symbol: Na # 34 coordinates: [ 0.150527230000000, 0.334126610000000, 0.795186870000000 ] mass: 22.989769 - symbol: Na # 35 coordinates: [ 0.849690730000000, 0.333690630000000, 0.653560320000000 ] mass: 22.989769 - symbol: Na # 36 coordinates: [ 0.852738390000000, 0.521530530000000, 0.104139660000000 ] mass: 22.989769 - symbol: Na # 37 coordinates: [ 0.000000000000000, 0.517511800000000, 0.517656120000000 ] mass: 22.989769 - symbol: Na # 38 coordinates: [ 0.333690630000000, 0.849690730000000, 0.653560320000000 ] mass: 22.989769 - symbol: Na # 39 coordinates: [ 0.482488200000000, 0.482488200000000, 0.517656120000000 ] mass: 22.989769 - symbol: Na # 40 coordinates: [ 0.513059210000000, 0.513059210000000, 0.792591220000000 ] mass: 22.989769 - symbol: Na # 41 coordinates: [ 0.152089190000000, 0.667752690000000, 0.385124790000000 ] mass: 22.989769 - symbol: Na # 42 coordinates: [ 0.478469470000000, 0.331207860000000, 0.104139660000000 ] mass: 22.989769 - symbol: Na # 43 coordinates: [ 0.182526150000000, 0.182526150000000, 0.378876190000000 ] mass: 22.989769 - symbol: Na # 44 coordinates: [ 0.666895840000000, 0.826980530000000, 0.515397170000000 ] mass: 22.989769 - symbol: Na # 45 coordinates: [ 0.152318360000000, 0.819812480000000, 0.239223160000000 ] mass: 22.989769 - symbol: Na # 46 coordinates: [ 0.846407450000000, 0.335419190000000, 0.935315290000000 ] mass: 22.989769 - symbol: Na # 47 coordinates: [ 0.332247310000000, 0.484336470000000, 0.385124790000000 ] mass: 22.989769 - symbol: Na # 48 coordinates: [ 0.819812480000000, 0.152318360000000, 0.239223160000000 ] mass: 22.989769 - symbol: Na # 49 coordinates: [ 0.667494140000000, 0.847681640000000, 0.239223160000000 ] mass: 22.989769 - symbol: Na # 50 coordinates: [ 0.817473850000000, 0.000000000000000, 0.378876190000000 ] mass: 22.989769 - symbol: Na # 51 coordinates: [ 0.334126610000000, 0.150527230000000, 0.795186870000000 ] mass: 22.989769 - symbol: Na # 52 coordinates: [ 0.335419190000000, 0.846407450000000, 0.935315290000000 ] mass: 22.989769 - symbol: Na # 53 coordinates: [ 0.331207860000000, 0.478469470000000, 0.104139660000000 ] mass: 22.989769 - symbol: Na # 54 coordinates: [ 0.666309370000000, 0.516000100000000, 0.653560320000000 ] mass: 22.989769 - symbol: Na # 55 coordinates: [ 0.811037760000000, 0.811037760000000, 0.928860260000000 ] mass: 22.989769 - symbol: Na # 56 coordinates: [ 0.847681640000000, 0.667494140000000, 0.239223160000000 ] mass: 22.989769 - symbol: Na # 57 coordinates: [ 0.173019470000000, 0.839915310000000, 0.515397170000000 ] mass: 22.989769 - symbol: Na # 58 coordinates: [ 0.489011730000000, 0.153592550000000, 0.935315290000000 ] mass: 22.989769 - symbol: Na # 59 coordinates: [ 0.482590500000000, 0.482590500000000, 0.236689880000000 ] mass: 22.989769 - symbol: Na # 60 coordinates: [ 0.000000000000000, 0.517409500000000, 0.236689880000000 ] mass: 22.989769 - symbol: Na # 61 coordinates: [ 0.484336470000000, 0.332247310000000, 0.385124790000000 ] mass: 22.989769 - symbol: Na # 62 coordinates: [ 0.150309270000000, 0.483999900000000, 0.653560320000000 ] mass: 22.989769 - symbol: Na # 63 coordinates: [ 0.486940790000000, 0.000000000000000, 0.792591220000000 ] mass: 22.989769 - symbol: S # 64 coordinates: [ 0.000000000000000, 0.666901480000000, 0.939265700000000 ] mass: 32.065000 - symbol: S # 65 coordinates: [ 0.000000000000000, 0.333826140000000, 0.093563030000000 ] mass: 32.065000 - symbol: S # 66 coordinates: [ 0.666666670000000, 0.333333330000000, 0.527118810000000 ] mass: 32.065000 - symbol: S # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.254026930000000 ] mass: 32.065000 - symbol: S # 68 coordinates: [ 0.663507140000000, 0.663507140000000, 0.367603390000000 ] mass: 32.065000 - symbol: S # 69 coordinates: [ 0.666666670000000, 0.333333330000000, 0.254026930000000 ] mass: 32.065000 - symbol: S # 70 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781028700000000 ] mass: 32.065000 - symbol: S # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.506409790000000 ] mass: 32.065000 - symbol: S # 72 coordinates: [ 0.330303800000000, 0.330303800000000, 0.664902020000000 ] mass: 32.065000 - symbol: S # 73 coordinates: [ 0.669696200000000, 0.000000000000000, 0.664902020000000 ] mass: 32.065000 - symbol: S # 74 coordinates: [ 0.336492860000000, 0.000000000000000, 0.367603390000000 ] mass: 32.065000 - symbol: S # 75 coordinates: [ 0.333333330000000, 0.666666670000000, 0.527118810000000 ] mass: 32.065000 - symbol: S # 76 coordinates: [ 0.000000000000000, 0.669696200000000, 0.664902020000000 ] mass: 32.065000 - symbol: S # 77 coordinates: [ 0.666901480000000, 0.000000000000000, 0.939265700000000 ] mass: 32.065000 - symbol: S # 78 coordinates: [ 0.333098520000000, 0.333098520000000, 0.939265700000000 ] mass: 32.065000 - symbol: S # 79 coordinates: [ 0.000000000000000, 0.336492860000000, 0.367603390000000 ] mass: 32.065000 - symbol: S # 80 coordinates: [ 0.333826140000000, 0.000000000000000, 0.093563030000000 ] mass: 32.065000 - symbol: S # 81 coordinates: [ 0.333333330000000, 0.666666670000000, 0.795663060000000 ] mass: 32.065000 - symbol: S # 82 coordinates: [ 0.666666670000000, 0.333333330000000, 0.795663060000000 ] mass: 32.065000 - symbol: S # 83 coordinates: [ 0.000000000000000, 0.000000000000000, 0.237635250000000 ] mass: 32.065000 - symbol: S # 84 coordinates: [ 0.666173860000000, 0.666173860000000, 0.093563030000000 ] mass: 32.065000 - symbol: Cl # 85 coordinates: [ 0.333333330000000, 0.666666670000000, 0.031222630000000 ] mass: 35.453000 - symbol: Cl # 86 coordinates: [ 0.666666670000000, 0.333333330000000, 0.031222630000000 ] mass: 35.453000 - symbol: Cl # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001140420000000 ] mass: 35.453000 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.884880920000000, 0.263331310000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.885478570000000, 0.218345040000000, 0.119415590000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.551797940000000, 0.000000000000000, 0.913458020000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.333333330000000, 0.666666670000000, 0.872860200000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.779321110000000, 0.450848580000000, 0.501853030000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.550230320000000, 0.550230320000000, 0.396138570000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.449769680000000, 0.000000000000000, 0.396138570000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.219839570000000, 0.885046260000000, 0.391672080000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.000000000000000, 0.000000000000000, 0.160443140000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.674261850000000, 0.000000000000000, 0.742255900000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.665922020000000, 0.884573540000000, 0.913052460000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.115111950000000, 0.000000000000000, 0.806146920000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.550609410000000, 0.331402250000000, 0.228775630000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.328472510000000, 0.549151420000000, 0.501853030000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.332267040000000, 0.332267040000000, 0.016369530000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.549151420000000, 0.328472510000000, 0.501853030000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.449390590000000, 0.780792850000000, 0.228775630000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.884880920000000, 0.000000000000000, 0.263331310000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.782954920000000, 0.115032860000000, 0.637724700000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.218651530000000, 0.334077980000000, 0.913052460000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.000000000000000, 0.115144730000000, 0.531816860000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.659318750000000, 0.659318750000000, 0.290199790000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.885046260000000, 0.219839570000000, 0.391672080000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.000000000000000, 0.674261850000000, 0.742255900000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.448663870000000, 0.119889150000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.667732960000000, 0.016369530000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.333333330000000, 0.666666670000000, 0.604614390000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.334077980000000, 0.218651530000000, 0.913052460000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.666666670000000, 0.333333330000000, 0.331859710000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.448663870000000, 0.000000000000000, 0.119889150000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.115119080000000, 0.115119080000000, 0.263331310000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.553035450000000, 0.000000000000000, 0.642345040000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.671527490000000, 0.220678890000000, 0.501853030000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.884967140000000, 0.667922070000000, 0.637724700000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.115032860000000, 0.782954920000000, 0.637724700000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.114953740000000, 0.334793300000000, 0.391672080000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.448202060000000, 0.448202060000000, 0.913458020000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.334710310000000, 0.000000000000000, 0.016435600000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.000000000000000, 0.449769680000000, 0.396138570000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.552224070000000, 0.217447540000000, 0.769985260000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.220678890000000, 0.671527490000000, 0.501853030000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.551797940000000, 0.913458020000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.781654960000000, 0.667133530000000, 0.119415590000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.332077930000000, 0.217045080000000, 0.637724700000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.334793300000000, 0.114953740000000, 0.391672080000000 ] mass: 15.999400 - symbol: O # 133 coordinates: [ 0.114521430000000, 0.332866470000000, 0.119415590000000 ] mass: 15.999400 - symbol: O # 134 coordinates: [ 0.000000000000000, 0.115111950000000, 0.806146920000000 ] mass: 15.999400 - symbol: O # 135 coordinates: [ 0.000000000000000, 0.340681250000000, 0.290199790000000 ] mass: 15.999400 - symbol: O # 136 coordinates: [ 0.666666670000000, 0.333333330000000, 0.872860200000000 ] mass: 15.999400 - symbol: O # 137 coordinates: [ 0.340681250000000, 0.000000000000000, 0.290199790000000 ] mass: 15.999400 - symbol: O # 138 coordinates: [ 0.334776540000000, 0.782552460000000, 0.769985260000000 ] mass: 15.999400 - symbol: O # 139 coordinates: [ 0.780160430000000, 0.665206700000000, 0.391672080000000 ] mass: 15.999400 - symbol: O # 140 coordinates: [ 0.000000000000000, 0.553035450000000, 0.642345040000000 ] mass: 15.999400 - symbol: O # 141 coordinates: [ 0.782552460000000, 0.334776540000000, 0.769985260000000 ] mass: 15.999400 - symbol: O # 142 coordinates: [ 0.666666670000000, 0.333333330000000, 0.604614390000000 ] mass: 15.999400 - symbol: O # 143 coordinates: [ 0.000000000000000, 0.000000000000000, 0.703090230000000 ] mass: 15.999400 - symbol: O # 144 coordinates: [ 0.884888050000000, 0.884888050000000, 0.806146920000000 ] mass: 15.999400 - symbol: O # 145 coordinates: [ 0.115144730000000, 0.000000000000000, 0.531816860000000 ] mass: 15.999400 - symbol: O # 146 coordinates: [ 0.667133530000000, 0.781654960000000, 0.119415590000000 ] mass: 15.999400 - symbol: O # 147 coordinates: [ 0.115426460000000, 0.781348470000000, 0.913052460000000 ] mass: 15.999400 - symbol: O # 148 coordinates: [ 0.884855270000000, 0.884855270000000, 0.531816860000000 ] mass: 15.999400 - symbol: O # 149 coordinates: [ 0.446964550000000, 0.446964550000000, 0.642345040000000 ] mass: 15.999400 - symbol: O # 150 coordinates: [ 0.665289690000000, 0.665289690000000, 0.016435600000000 ] mass: 15.999400 - symbol: O # 151 coordinates: [ 0.667732960000000, 0.000000000000000, 0.016369530000000 ] mass: 15.999400 - symbol: O # 152 coordinates: [ 0.551336130000000, 0.551336130000000, 0.119889150000000 ] mass: 15.999400 - symbol: O # 153 coordinates: [ 0.333333330000000, 0.666666670000000, 0.331859710000000 ] mass: 15.999400 - symbol: O # 154 coordinates: [ 0.668597750000000, 0.219207150000000, 0.228775630000000 ] mass: 15.999400 - symbol: O # 155 coordinates: [ 0.780792850000000, 0.449390590000000, 0.228775630000000 ] mass: 15.999400 - symbol: O # 156 coordinates: [ 0.667922070000000, 0.884967140000000, 0.637724700000000 ] mass: 15.999400 - symbol: O # 157 coordinates: [ 0.450848580000000, 0.779321110000000, 0.501853030000000 ] mass: 15.999400 - symbol: O # 158 coordinates: [ 0.219207150000000, 0.668597750000000, 0.228775630000000 ] mass: 15.999400 - symbol: O # 159 coordinates: [ 0.665206700000000, 0.780160430000000, 0.391672080000000 ] mass: 15.999400 - symbol: O # 160 coordinates: [ 0.331402250000000, 0.550609410000000, 0.228775630000000 ] mass: 15.999400 - symbol: O # 161 coordinates: [ 0.217447540000000, 0.552224070000000, 0.769985260000000 ] mass: 15.999400 - symbol: O # 162 coordinates: [ 0.884573540000000, 0.665922020000000, 0.913052460000000 ] mass: 15.999400 - symbol: O # 163 coordinates: [ 0.665223460000000, 0.447775930000000, 0.769985260000000 ] mass: 15.999400 - symbol: O # 164 coordinates: [ 0.325738150000000, 0.325738150000000, 0.742255900000000 ] mass: 15.999400 - symbol: O # 165 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428998370000000 ] mass: 15.999400 - symbol: O # 166 coordinates: [ 0.217045080000000, 0.332077930000000, 0.637724700000000 ] mass: 15.999400 - symbol: O # 167 coordinates: [ 0.218345040000000, 0.885478570000000, 0.119415590000000 ] mass: 15.999400 - symbol: O # 168 coordinates: [ 0.447775930000000, 0.665223460000000, 0.769985260000000 ] mass: 15.999400 - symbol: O # 169 coordinates: [ 0.781348470000000, 0.115426460000000, 0.913052460000000 ] mass: 15.999400 - symbol: O # 170 coordinates: [ 0.000000000000000, 0.334710310000000, 0.016435600000000 ] mass: 15.999400 - symbol: O # 171 coordinates: [ 0.332866470000000, 0.114521430000000, 0.119415590000000 ] mass: 15.999400 - symbol: F # 172 coordinates: [ 0.000000000000000, 0.660540710000000, 0.313937410000000 ] mass: 18.998403 - symbol: F # 173 coordinates: [ 0.659189630000000, 0.659189630000000, 0.864639480000000 ] mass: 18.998403 - symbol: F # 174 coordinates: [ 0.000000000000000, 0.349733390000000, 0.565999640000000 ] mass: 18.998403 - symbol: F # 175 coordinates: [ 0.325825960000000, 0.000000000000000, 0.718683540000000 ] mass: 18.998403 - symbol: F # 176 coordinates: [ 0.000000000000000, 0.674973030000000, 0.168760800000000 ] mass: 18.998403 - symbol: F # 177 coordinates: [ 0.650266610000000, 0.650266610000000, 0.565999640000000 ] mass: 18.998403 - symbol: F # 178 coordinates: [ 0.674973030000000, 0.000000000000000, 0.168760800000000 ] mass: 18.998403 - symbol: F # 179 coordinates: [ 0.674174040000000, 0.674174040000000, 0.718683540000000 ] mass: 18.998403 - symbol: F # 180 coordinates: [ 0.339459290000000, 0.339459290000000, 0.313937410000000 ] mass: 18.998403 - symbol: F # 181 coordinates: [ 0.315546640000000, 0.315546640000000, 0.464355350000000 ] mass: 18.998403 - symbol: F # 182 coordinates: [ 0.660540710000000, 0.000000000000000, 0.313937410000000 ] mass: 18.998403 - symbol: F # 183 coordinates: [ 0.325026970000000, 0.325026970000000, 0.168760800000000 ] mass: 18.998403 - symbol: F # 184 coordinates: [ 0.684453360000000, 0.000000000000000, 0.464355350000000 ] mass: 18.998403 - symbol: F # 185 coordinates: [ 0.000000000000000, 0.325825960000000, 0.718683540000000 ] mass: 18.998403 - symbol: F # 186 coordinates: [ 0.000000000000000, 0.684453360000000, 0.464355350000000 ] mass: 18.998403 - symbol: F # 187 coordinates: [ 0.340810370000000, 0.000000000000000, 0.864639480000000 ] mass: 18.998403 - symbol: F # 188 coordinates: [ 0.349733390000000, 0.000000000000000, 0.565999640000000 ] mass: 18.998403 - symbol: F # 189 coordinates: [ 0.000000000000000, 0.340810370000000, 0.864639480000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.082029429747728, 0.047359713283434, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.094719426722263, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.051836920672266 ] # c*unit_cell: lattice: - [ 12.190746700000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.095373340000000, 10.557496329999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.291269369999998 ] # c points: - symbol: Na # 1 coordinates: [ 0.664580810000000, 0.510988270000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.822925420000000, 0.097202520000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.188962240000000, 0.928860260000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.521530530000000, 0.852738390000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.179083060000000, 0.648315580000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.839915310000000, 0.173019470000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.826980530000000, 0.666895840000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.820916940000000, 0.820916940000000, 0.648315580000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.486940790000000, 0.792591220000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.333104160000000, 0.160084690000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.668792140000000, 0.147261610000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.483999900000000, 0.150309270000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.515663530000000, 0.847910810000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.849472770000000, 0.183599380000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.516000100000000, 0.666309370000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.177074580000000, 0.177074580000000, 0.097202520000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.822925420000000, 0.000000000000000, 0.097202520000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.147261610000000, 0.668792140000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.332505860000000, 0.180187520000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.667752690000000, 0.152089190000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.160084690000000, 0.333104160000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.180187520000000, 0.332505860000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.153592550000000, 0.489011730000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.188962240000000, 0.000000000000000, 0.928860260000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.517409500000000, 0.000000000000000, 0.236689880000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.847910810000000, 0.515663530000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.000000000000000, 0.817473850000000, 0.378876190000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.183599380000000, 0.849472770000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.510988270000000, 0.664580810000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.665873390000000, 0.816400620000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.517511800000000, 0.000000000000000, 0.517656120000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.179083060000000, 0.000000000000000, 0.648315580000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.816400620000000, 0.665873390000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.150527230000000, 0.334126610000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.849690730000000, 0.333690630000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.852738390000000, 0.521530530000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.000000000000000, 0.517511800000000, 0.517656120000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.333690630000000, 0.849690730000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.482488200000000, 0.482488200000000, 0.517656120000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.513059210000000, 0.513059210000000, 0.792591220000000 ] mass: 22.989769 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.152089190000000, 0.667752690000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.478469470000000, 0.331207860000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.182526150000000, 0.182526150000000, 0.378876190000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.666895840000000, 0.826980530000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 44 - symbol: Na # 45 coordinates: [ 0.152318360000000, 0.819812480000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.846407450000000, 0.335419190000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 47 coordinates: [ 0.332247310000000, 0.484336470000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.819812480000000, 0.152318360000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.667494140000000, 0.847681640000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.817473850000000, 0.000000000000000, 0.378876190000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.334126610000000, 0.150527230000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.335419190000000, 0.846407450000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.331207860000000, 0.478469470000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.666309370000000, 0.516000100000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.811037760000000, 0.811037760000000, 0.928860260000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.847681640000000, 0.667494140000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 56 - symbol: Na # 57 coordinates: [ 0.173019470000000, 0.839915310000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.489011730000000, 0.153592550000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 58 - symbol: Na # 59 coordinates: [ 0.482590500000000, 0.482590500000000, 0.236689880000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.000000000000000, 0.517409500000000, 0.236689880000000 ] mass: 22.989769 reduced_to: 60 - symbol: Na # 61 coordinates: [ 0.484336470000000, 0.332247310000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 61 - symbol: Na # 62 coordinates: [ 0.150309270000000, 0.483999900000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 62 - symbol: Na # 63 coordinates: [ 0.486940790000000, 0.000000000000000, 0.792591220000000 ] mass: 22.989769 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.000000000000000, 0.666901480000000, 0.939265700000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.000000000000000, 0.333826140000000, 0.093563030000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.666666670000000, 0.333333330000000, 0.527118810000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.254026930000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.663507140000000, 0.663507140000000, 0.367603390000000 ] mass: 32.065000 reduced_to: 68 - symbol: S # 69 coordinates: [ 0.666666670000000, 0.333333330000000, 0.254026930000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 70 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781028700000000 ] mass: 32.065000 reduced_to: 70 - symbol: S # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.506409790000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 72 coordinates: [ 0.330303800000000, 0.330303800000000, 0.664902020000000 ] mass: 32.065000 reduced_to: 72 - symbol: S # 73 coordinates: [ 0.669696200000000, 0.000000000000000, 0.664902020000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.336492860000000, 0.000000000000000, 0.367603390000000 ] mass: 32.065000 reduced_to: 74 - symbol: S # 75 coordinates: [ 0.333333330000000, 0.666666670000000, 0.527118810000000 ] mass: 32.065000 reduced_to: 75 - symbol: S # 76 coordinates: [ 0.000000000000000, 0.669696200000000, 0.664902020000000 ] mass: 32.065000 reduced_to: 76 - symbol: S # 77 coordinates: [ 0.666901480000000, 0.000000000000000, 0.939265700000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 78 coordinates: [ 0.333098520000000, 0.333098520000000, 0.939265700000000 ] mass: 32.065000 reduced_to: 78 - symbol: S # 79 coordinates: [ 0.000000000000000, 0.336492860000000, 0.367603390000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.333826140000000, 0.000000000000000, 0.093563030000000 ] mass: 32.065000 reduced_to: 80 - symbol: S # 81 coordinates: [ 0.333333330000000, 0.666666670000000, 0.795663060000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.666666670000000, 0.333333330000000, 0.795663060000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 83 coordinates: [ 0.000000000000000, 0.000000000000000, 0.237635250000000 ] mass: 32.065000 reduced_to: 83 - symbol: S # 84 coordinates: [ 0.666173860000000, 0.666173860000000, 0.093563030000000 ] mass: 32.065000 reduced_to: 84 - symbol: Cl # 85 coordinates: [ 0.333333330000000, 0.666666670000000, 0.031222630000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.666666670000000, 0.333333330000000, 0.031222630000000 ] mass: 35.453000 reduced_to: 86 - symbol: Cl # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001140420000000 ] mass: 35.453000 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.884880920000000, 0.263331310000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.885478570000000, 0.218345040000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.551797940000000, 0.000000000000000, 0.913458020000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.333333330000000, 0.666666670000000, 0.872860200000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.779321110000000, 0.450848580000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.550230320000000, 0.550230320000000, 0.396138570000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.449769680000000, 0.000000000000000, 0.396138570000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.219839570000000, 0.885046260000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.000000000000000, 0.000000000000000, 0.160443140000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.674261850000000, 0.000000000000000, 0.742255900000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.665922020000000, 0.884573540000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.115111950000000, 0.000000000000000, 0.806146920000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.550609410000000, 0.331402250000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.328472510000000, 0.549151420000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.332267040000000, 0.332267040000000, 0.016369530000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.549151420000000, 0.328472510000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.449390590000000, 0.780792850000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.884880920000000, 0.000000000000000, 0.263331310000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.782954920000000, 0.115032860000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.218651530000000, 0.334077980000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.000000000000000, 0.115144730000000, 0.531816860000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.659318750000000, 0.659318750000000, 0.290199790000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.885046260000000, 0.219839570000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.000000000000000, 0.674261850000000, 0.742255900000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.448663870000000, 0.119889150000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.667732960000000, 0.016369530000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.333333330000000, 0.666666670000000, 0.604614390000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.334077980000000, 0.218651530000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.666666670000000, 0.333333330000000, 0.331859710000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.448663870000000, 0.000000000000000, 0.119889150000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.115119080000000, 0.115119080000000, 0.263331310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.553035450000000, 0.000000000000000, 0.642345040000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.671527490000000, 0.220678890000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.884967140000000, 0.667922070000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.115032860000000, 0.782954920000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.114953740000000, 0.334793300000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.448202060000000, 0.448202060000000, 0.913458020000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.334710310000000, 0.000000000000000, 0.016435600000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.000000000000000, 0.449769680000000, 0.396138570000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.552224070000000, 0.217447540000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.220678890000000, 0.671527490000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.551797940000000, 0.913458020000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.781654960000000, 0.667133530000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.332077930000000, 0.217045080000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.334793300000000, 0.114953740000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.114521430000000, 0.332866470000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.000000000000000, 0.115111950000000, 0.806146920000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.000000000000000, 0.340681250000000, 0.290199790000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.666666670000000, 0.333333330000000, 0.872860200000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.340681250000000, 0.000000000000000, 0.290199790000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.334776540000000, 0.782552460000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.780160430000000, 0.665206700000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.000000000000000, 0.553035450000000, 0.642345040000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.782552460000000, 0.334776540000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.666666670000000, 0.333333330000000, 0.604614390000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.000000000000000, 0.000000000000000, 0.703090230000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.884888050000000, 0.884888050000000, 0.806146920000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.115144730000000, 0.000000000000000, 0.531816860000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.667133530000000, 0.781654960000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.115426460000000, 0.781348470000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.884855270000000, 0.884855270000000, 0.531816860000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.446964550000000, 0.446964550000000, 0.642345040000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.665289690000000, 0.665289690000000, 0.016435600000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.667732960000000, 0.000000000000000, 0.016369530000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.551336130000000, 0.551336130000000, 0.119889150000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.333333330000000, 0.666666670000000, 0.331859710000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.668597750000000, 0.219207150000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.780792850000000, 0.449390590000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.667922070000000, 0.884967140000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.450848580000000, 0.779321110000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.219207150000000, 0.668597750000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.665206700000000, 0.780160430000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.331402250000000, 0.550609410000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.217447540000000, 0.552224070000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.884573540000000, 0.665922020000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.665223460000000, 0.447775930000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.325738150000000, 0.325738150000000, 0.742255900000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428998370000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.217045080000000, 0.332077930000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.218345040000000, 0.885478570000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.447775930000000, 0.665223460000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 168 - symbol: O # 169 coordinates: [ 0.781348470000000, 0.115426460000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 169 - symbol: O # 170 coordinates: [ 0.000000000000000, 0.334710310000000, 0.016435600000000 ] mass: 15.999400 reduced_to: 170 - symbol: O # 171 coordinates: [ 0.332866470000000, 0.114521430000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 171 - symbol: F # 172 coordinates: [ 0.000000000000000, 0.660540710000000, 0.313937410000000 ] mass: 18.998403 reduced_to: 172 - symbol: F # 173 coordinates: [ 0.659189630000000, 0.659189630000000, 0.864639480000000 ] mass: 18.998403 reduced_to: 173 - symbol: F # 174 coordinates: [ 0.000000000000000, 0.349733390000000, 0.565999640000000 ] mass: 18.998403 reduced_to: 174 - symbol: F # 175 coordinates: [ 0.325825960000000, 0.000000000000000, 0.718683540000000 ] mass: 18.998403 reduced_to: 175 - symbol: F # 176 coordinates: [ 0.000000000000000, 0.674973030000000, 0.168760800000000 ] mass: 18.998403 reduced_to: 176 - symbol: F # 177 coordinates: [ 0.650266610000000, 0.650266610000000, 0.565999640000000 ] mass: 18.998403 reduced_to: 177 - symbol: F # 178 coordinates: [ 0.674973030000000, 0.000000000000000, 0.168760800000000 ] mass: 18.998403 reduced_to: 178 - symbol: F # 179 coordinates: [ 0.674174040000000, 0.674174040000000, 0.718683540000000 ] mass: 18.998403 reduced_to: 179 - symbol: F # 180 coordinates: [ 0.339459290000000, 0.339459290000000, 0.313937410000000 ] mass: 18.998403 reduced_to: 180 - symbol: F # 181 coordinates: [ 0.315546640000000, 0.315546640000000, 0.464355350000000 ] mass: 18.998403 reduced_to: 181 - symbol: F # 182 coordinates: [ 0.660540710000000, 0.000000000000000, 0.313937410000000 ] mass: 18.998403 reduced_to: 182 - symbol: F # 183 coordinates: [ 0.325026970000000, 0.325026970000000, 0.168760800000000 ] mass: 18.998403 reduced_to: 183 - symbol: F # 184 coordinates: [ 0.684453360000000, 0.000000000000000, 0.464355350000000 ] mass: 18.998403 reduced_to: 184 - symbol: F # 185 coordinates: [ 0.000000000000000, 0.325825960000000, 0.718683540000000 ] mass: 18.998403 reduced_to: 185 - symbol: F # 186 coordinates: [ 0.000000000000000, 0.684453360000000, 0.464355350000000 ] mass: 18.998403 reduced_to: 186 - symbol: F # 187 coordinates: [ 0.340810370000000, 0.000000000000000, 0.864639480000000 ] mass: 18.998403 reduced_to: 187 - symbol: F # 188 coordinates: [ 0.349733390000000, 0.000000000000000, 0.565999640000000 ] mass: 18.998403 reduced_to: 188 - symbol: F # 189 coordinates: [ 0.000000000000000, 0.340810370000000, 0.864639480000000 ] mass: 18.998403 reduced_to: 189supercell: lattice: - [ 12.190746700000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.095373340000000, 10.557496329999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 19.291269369999998 ] # c points: - symbol: Na # 1 coordinates: [ 0.664580810000000, 0.510988270000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.000000000000000, 0.822925420000000, 0.097202520000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.000000000000000, 0.188962240000000, 0.928860260000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.521530530000000, 0.852738390000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.000000000000000, 0.179083060000000, 0.648315580000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.839915310000000, 0.173019470000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.826980530000000, 0.666895840000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.820916940000000, 0.820916940000000, 0.648315580000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.000000000000000, 0.486940790000000, 0.792591220000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.333104160000000, 0.160084690000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.668792140000000, 0.147261610000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.483999900000000, 0.150309270000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.515663530000000, 0.847910810000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.849472770000000, 0.183599380000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.516000100000000, 0.666309370000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.177074580000000, 0.177074580000000, 0.097202520000000 ] mass: 22.989769 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.822925420000000, 0.000000000000000, 0.097202520000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.147261610000000, 0.668792140000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.332505860000000, 0.180187520000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.667752690000000, 0.152089190000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 20 - symbol: Na # 21 coordinates: [ 0.160084690000000, 0.333104160000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.180187520000000, 0.332505860000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 22 - symbol: Na # 23 coordinates: [ 0.153592550000000, 0.489011730000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.188962240000000, 0.000000000000000, 0.928860260000000 ] mass: 22.989769 reduced_to: 24 - symbol: Na # 25 coordinates: [ 0.517409500000000, 0.000000000000000, 0.236689880000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.847910810000000, 0.515663530000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 26 - symbol: Na # 27 coordinates: [ 0.000000000000000, 0.817473850000000, 0.378876190000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.183599380000000, 0.849472770000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 28 - symbol: Na # 29 coordinates: [ 0.510988270000000, 0.664580810000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.665873390000000, 0.816400620000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 30 - symbol: Na # 31 coordinates: [ 0.517511800000000, 0.000000000000000, 0.517656120000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.179083060000000, 0.000000000000000, 0.648315580000000 ] mass: 22.989769 reduced_to: 32 - symbol: Na # 33 coordinates: [ 0.816400620000000, 0.665873390000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 33 - symbol: Na # 34 coordinates: [ 0.150527230000000, 0.334126610000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 34 - symbol: Na # 35 coordinates: [ 0.849690730000000, 0.333690630000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 35 - symbol: Na # 36 coordinates: [ 0.852738390000000, 0.521530530000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 36 - symbol: Na # 37 coordinates: [ 0.000000000000000, 0.517511800000000, 0.517656120000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.333690630000000, 0.849690730000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.482488200000000, 0.482488200000000, 0.517656120000000 ] mass: 22.989769 reduced_to: 39 - symbol: Na # 40 coordinates: [ 0.513059210000000, 0.513059210000000, 0.792591220000000 ] mass: 22.989769 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.152089190000000, 0.667752690000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.478469470000000, 0.331207860000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.182526150000000, 0.182526150000000, 0.378876190000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.666895840000000, 0.826980530000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 44 - symbol: Na # 45 coordinates: [ 0.152318360000000, 0.819812480000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.846407450000000, 0.335419190000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 47 coordinates: [ 0.332247310000000, 0.484336470000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.819812480000000, 0.152318360000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.667494140000000, 0.847681640000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.817473850000000, 0.000000000000000, 0.378876190000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.334126610000000, 0.150527230000000, 0.795186870000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.335419190000000, 0.846407450000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.331207860000000, 0.478469470000000, 0.104139660000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.666309370000000, 0.516000100000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.811037760000000, 0.811037760000000, 0.928860260000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.847681640000000, 0.667494140000000, 0.239223160000000 ] mass: 22.989769 reduced_to: 56 - symbol: Na # 57 coordinates: [ 0.173019470000000, 0.839915310000000, 0.515397170000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.489011730000000, 0.153592550000000, 0.935315290000000 ] mass: 22.989769 reduced_to: 58 - symbol: Na # 59 coordinates: [ 0.482590500000000, 0.482590500000000, 0.236689880000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.000000000000000, 0.517409500000000, 0.236689880000000 ] mass: 22.989769 reduced_to: 60 - symbol: Na # 61 coordinates: [ 0.484336470000000, 0.332247310000000, 0.385124790000000 ] mass: 22.989769 reduced_to: 61 - symbol: Na # 62 coordinates: [ 0.150309270000000, 0.483999900000000, 0.653560320000000 ] mass: 22.989769 reduced_to: 62 - symbol: Na # 63 coordinates: [ 0.486940790000000, 0.000000000000000, 0.792591220000000 ] mass: 22.989769 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.000000000000000, 0.666901480000000, 0.939265700000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.000000000000000, 0.333826140000000, 0.093563030000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.666666670000000, 0.333333330000000, 0.527118810000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 67 coordinates: [ 0.333333330000000, 0.666666670000000, 0.254026930000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.663507140000000, 0.663507140000000, 0.367603390000000 ] mass: 32.065000 reduced_to: 68 - symbol: S # 69 coordinates: [ 0.666666670000000, 0.333333330000000, 0.254026930000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 70 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781028700000000 ] mass: 32.065000 reduced_to: 70 - symbol: S # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.506409790000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 72 coordinates: [ 0.330303800000000, 0.330303800000000, 0.664902020000000 ] mass: 32.065000 reduced_to: 72 - symbol: S # 73 coordinates: [ 0.669696200000000, 0.000000000000000, 0.664902020000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.336492860000000, 0.000000000000000, 0.367603390000000 ] mass: 32.065000 reduced_to: 74 - symbol: S # 75 coordinates: [ 0.333333330000000, 0.666666670000000, 0.527118810000000 ] mass: 32.065000 reduced_to: 75 - symbol: S # 76 coordinates: [ 0.000000000000000, 0.669696200000000, 0.664902020000000 ] mass: 32.065000 reduced_to: 76 - symbol: S # 77 coordinates: [ 0.666901480000000, 0.000000000000000, 0.939265700000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 78 coordinates: [ 0.333098520000000, 0.333098520000000, 0.939265700000000 ] mass: 32.065000 reduced_to: 78 - symbol: S # 79 coordinates: [ 0.000000000000000, 0.336492860000000, 0.367603390000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.333826140000000, 0.000000000000000, 0.093563030000000 ] mass: 32.065000 reduced_to: 80 - symbol: S # 81 coordinates: [ 0.333333330000000, 0.666666670000000, 0.795663060000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.666666670000000, 0.333333330000000, 0.795663060000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 83 coordinates: [ 0.000000000000000, 0.000000000000000, 0.237635250000000 ] mass: 32.065000 reduced_to: 83 - symbol: S # 84 coordinates: [ 0.666173860000000, 0.666173860000000, 0.093563030000000 ] mass: 32.065000 reduced_to: 84 - symbol: Cl # 85 coordinates: [ 0.333333330000000, 0.666666670000000, 0.031222630000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.666666670000000, 0.333333330000000, 0.031222630000000 ] mass: 35.453000 reduced_to: 86 - symbol: Cl # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.001140420000000 ] mass: 35.453000 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.884880920000000, 0.263331310000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.885478570000000, 0.218345040000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.551797940000000, 0.000000000000000, 0.913458020000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.333333330000000, 0.666666670000000, 0.872860200000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.779321110000000, 0.450848580000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.550230320000000, 0.550230320000000, 0.396138570000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.449769680000000, 0.000000000000000, 0.396138570000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.219839570000000, 0.885046260000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.000000000000000, 0.000000000000000, 0.160443140000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.674261850000000, 0.000000000000000, 0.742255900000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.665922020000000, 0.884573540000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.115111950000000, 0.000000000000000, 0.806146920000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.550609410000000, 0.331402250000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.328472510000000, 0.549151420000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.332267040000000, 0.332267040000000, 0.016369530000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.549151420000000, 0.328472510000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.449390590000000, 0.780792850000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.884880920000000, 0.000000000000000, 0.263331310000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.782954920000000, 0.115032860000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.218651530000000, 0.334077980000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.000000000000000, 0.115144730000000, 0.531816860000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.659318750000000, 0.659318750000000, 0.290199790000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.885046260000000, 0.219839570000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.000000000000000, 0.674261850000000, 0.742255900000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.000000000000000, 0.448663870000000, 0.119889150000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.667732960000000, 0.016369530000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.333333330000000, 0.666666670000000, 0.604614390000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.334077980000000, 0.218651530000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.666666670000000, 0.333333330000000, 0.331859710000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.448663870000000, 0.000000000000000, 0.119889150000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.115119080000000, 0.115119080000000, 0.263331310000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.553035450000000, 0.000000000000000, 0.642345040000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.671527490000000, 0.220678890000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.884967140000000, 0.667922070000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.115032860000000, 0.782954920000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.114953740000000, 0.334793300000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.448202060000000, 0.448202060000000, 0.913458020000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.334710310000000, 0.000000000000000, 0.016435600000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.000000000000000, 0.449769680000000, 0.396138570000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.552224070000000, 0.217447540000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.220678890000000, 0.671527490000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.551797940000000, 0.913458020000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.781654960000000, 0.667133530000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.332077930000000, 0.217045080000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.334793300000000, 0.114953740000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.114521430000000, 0.332866470000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.000000000000000, 0.115111950000000, 0.806146920000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.000000000000000, 0.340681250000000, 0.290199790000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.666666670000000, 0.333333330000000, 0.872860200000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.340681250000000, 0.000000000000000, 0.290199790000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.334776540000000, 0.782552460000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.780160430000000, 0.665206700000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.000000000000000, 0.553035450000000, 0.642345040000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.782552460000000, 0.334776540000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.666666670000000, 0.333333330000000, 0.604614390000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.000000000000000, 0.000000000000000, 0.703090230000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.884888050000000, 0.884888050000000, 0.806146920000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.115144730000000, 0.000000000000000, 0.531816860000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.667133530000000, 0.781654960000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.115426460000000, 0.781348470000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.884855270000000, 0.884855270000000, 0.531816860000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.446964550000000, 0.446964550000000, 0.642345040000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.665289690000000, 0.665289690000000, 0.016435600000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.667732960000000, 0.000000000000000, 0.016369530000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.551336130000000, 0.551336130000000, 0.119889150000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.333333330000000, 0.666666670000000, 0.331859710000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.668597750000000, 0.219207150000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.780792850000000, 0.449390590000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.667922070000000, 0.884967140000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.450848580000000, 0.779321110000000, 0.501853030000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.219207150000000, 0.668597750000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.665206700000000, 0.780160430000000, 0.391672080000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.331402250000000, 0.550609410000000, 0.228775630000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.217447540000000, 0.552224070000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.884573540000000, 0.665922020000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.665223460000000, 0.447775930000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.325738150000000, 0.325738150000000, 0.742255900000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428998370000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.217045080000000, 0.332077930000000, 0.637724700000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.218345040000000, 0.885478570000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.447775930000000, 0.665223460000000, 0.769985260000000 ] mass: 15.999400 reduced_to: 168 - symbol: O # 169 coordinates: [ 0.781348470000000, 0.115426460000000, 0.913052460000000 ] mass: 15.999400 reduced_to: 169 - symbol: O # 170 coordinates: [ 0.000000000000000, 0.334710310000000, 0.016435600000000 ] mass: 15.999400 reduced_to: 170 - symbol: O # 171 coordinates: [ 0.332866470000000, 0.114521430000000, 0.119415590000000 ] mass: 15.999400 reduced_to: 171 - symbol: F # 172 coordinates: [ 0.000000000000000, 0.660540710000000, 0.313937410000000 ] mass: 18.998403 reduced_to: 172 - symbol: F # 173 coordinates: [ 0.659189630000000, 0.659189630000000, 0.864639480000000 ] mass: 18.998403 reduced_to: 173 - symbol: F # 174 coordinates: [ 0.000000000000000, 0.349733390000000, 0.565999640000000 ] mass: 18.998403 reduced_to: 174 - symbol: F # 175 coordinates: [ 0.325825960000000, 0.000000000000000, 0.718683540000000 ] mass: 18.998403 reduced_to: 175 - symbol: F # 176 coordinates: [ 0.000000000000000, 0.674973030000000, 0.168760800000000 ] mass: 18.998403 reduced_to: 176 - symbol: F # 177 coordinates: [ 0.650266610000000, 0.650266610000000, 0.565999640000000 ] mass: 18.998403 reduced_to: 177 - symbol: F # 178 coordinates: [ 0.674973030000000, 0.000000000000000, 0.168760800000000 ] mass: 18.998403 reduced_to: 178 - symbol: F # 179 coordinates: [ 0.674174040000000, 0.674174040000000, 0.718683540000000 ] mass: 18.998403 reduced_to: 179 - symbol: F # 180 coordinates: [ 0.339459290000000, 0.339459290000000, 0.313937410000000 ] mass: 18.998403 reduced_to: 180 - symbol: F # 181 coordinates: [ 0.315546640000000, 0.315546640000000, 0.464355350000000 ] mass: 18.998403 reduced_to: 181 - symbol: F # 182 coordinates: [ 0.660540710000000, 0.000000000000000, 0.313937410000000 ] mass: 18.998403 reduced_to: 182 - symbol: F # 183 coordinates: [ 0.325026970000000, 0.325026970000000, 0.168760800000000 ] mass: 18.998403 reduced_to: 183 - symbol: F # 184 coordinates: [ 0.684453360000000, 0.000000000000000, 0.464355350000000 ] mass: 18.998403 reduced_to: 184 - symbol: F # 185 coordinates: [ 0.000000000000000, 0.325825960000000, 0.718683540000000 ] mass: 18.998403 reduced_to: 185 - symbol: F # 186 coordinates: [ 0.000000000000000, 0.684453360000000, 0.464355350000000 ] mass: 18.998403 reduced_to: 186 - symbol: F # 187 coordinates: [ 0.340810370000000, 0.000000000000000, 0.864639480000000 ] mass: 18.998403 reduced_to: 187 - symbol: F # 188 coordinates: [ 0.349733390000000, 0.000000000000000, 0.565999640000000 ] mass: 18.998403 reduced_to: 188 - symbol: F # 189 coordinates: [ 0.000000000000000, 0.340810370000000, 0.864639480000000 ] mass: 18.998403 reduced_to: 189displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0292497900000000, 0.0021954200000000, -0.0026543900000000 ] - [ -0.0004638800000000, 0.0005665600000000, 0.0007066400000000 ] - [ 0.0006625100000000, 0.0002672300000000, 0.0001147700000000 ] - [ 0.0002486000000000, -0.0004355300000000, 0.0000368600000000 ] - [ -0.0000247700000000, 0.0002235500000000, -0.0002132000000000 ] - [ -0.0000839200000000, -0.0002139800000000, -0.0000292100000000 ] - [ 0.0001681400000000, 0.0000251700000000, -0.0000715700000000 ] - [ -0.0002410500000000, -0.0002228900000000, -0.0001726900000000 ] - [ 0.0007405000000000, -0.0000415300000000, -0.0006388800000000 ] - [ -0.0001573000000000, 0.0002179600000000, 0.0000155400000000 ] - [ 0.0003548500000000, -0.0003864100000000, 0.0004278300000000 ] - [ -0.0002070600000000, -0.0003043600000000, -0.0003269500000000 ] - [ -0.0000881900000000, -0.0002330100000000, -0.0003229800000000 ] - [ 0.0003564000000000, -0.0003730300000000, 0.0002093200000000 ] - [ 0.0002225100000000, -0.0001275200000000, 0.0000785800000000 ] - [ 0.0001980700000000, 0.0003771600000000, -0.0002967600000000 ] - [ 0.0001346100000000, -0.0003235700000000, 0.0001512300000000 ] - [ 0.0007522600000000, 0.0001351500000000, 0.0005417100000000 ] - [ -0.0001212900000000, 0.0002271600000000, -0.0000008400000000 ] - [ -0.0000804100000000, 0.0001788700000000, -0.0002921500000000 ] - [ 0.0002737100000000, 0.0000004800000000, 0.0000246500000000 ] - [ 0.0002596200000000, 0.0000833200000000, -0.0000239800000000 ] - [ 0.0015597200000000, -0.0006514400000000, 0.0002393900000000 ] - [ 0.0000357100000000, 0.0013207800000000, 0.0001434700000000 ] - [ 0.0001790600000000, -0.0000921000000000, 0.0003240300000000 ] - [ -0.0001337700000000, -0.0001598400000000, -0.0002918700000000 ] - [ -0.0000805300000000, 0.0001174800000000, -0.0001863000000000 ] - [ 0.0002081900000000, 0.0003607400000000, -0.0001827000000000 ] - [ 0.0041626300000000, -0.0033990700000000, 0.0001833600000000 ] - [ 0.0001042500000000, -0.0006088900000000, 0.0007559600000000 ] - [ 0.0003810200000000, -0.0000383600000000, -0.0000026200000000 ] - [ 0.0002142200000000, 0.0001330100000000, -0.0002288600000000 ] - [ -0.0015273000000000, 0.0012116700000000, -0.0014605500000000 ] - [ 0.0007251800000000, 0.0000457400000000, 0.0007631300000000 ] - [ 0.0003634600000000, -0.0000172900000000, -0.0003933900000000 ] - [ 0.0000642600000000, 0.0000790000000000, 0.0018350700000000 ] - [ -0.0001515100000000, 0.0003164500000000, -0.0000536400000000 ] - [ 0.0000339300000000, 0.0001744600000000, -0.0001043500000000 ] - [ -0.0002258600000000, -0.0003212800000000, 0.0000524000000000 ] - [ 0.0003383200000000, -0.0001510900000000, 0.0035368000000000 ] - [ 0.0002730100000000, 0.0000261900000000, -0.0003082700000000 ] - [ -0.0010210000000000, 0.0006378200000000, -0.0007465500000000 ] - [ -0.0000511700000000, -0.0000804800000000, -0.0001997600000000 ] - [ -0.0001130800000000, 0.0001751900000000, -0.0000151600000000 ] - [ 0.0000074900000000, -0.0001133400000000, 0.0001280800000000 ] - [ 0.0023417400000000, -0.0020680000000000, 0.0002811100000000 ] - [ -0.0001268800000000, 0.0001923500000000, -0.0003302800000000 ] - [ -0.0000677500000000, -0.0001739000000000, 0.0000914900000000 ] - [ -0.0000762900000000, -0.0000386500000000, -0.0001472700000000 ] - [ 0.0001230600000000, -0.0000192400000000, -0.0001940900000000 ] - [ -0.0005608200000000, 0.0005086000000000, 0.0008467000000000 ] - [ 0.0004590700000000, 0.0001551700000000, 0.0002678500000000 ] - [ 0.0004900900000000, -0.0000826700000000, -0.0006181800000000 ] - [ -0.0004368100000000, 0.0002916100000000, -0.0002582900000000 ] - [ -0.0022721500000000, -0.0001639600000000, 0.0001502200000000 ] - [ -0.0000592000000000, 0.0000061600000000, 0.0000022600000000 ] - [ -0.0000946500000000, -0.0001679600000000, -0.0000643300000000 ] - [ -0.0015239300000000, -0.0001629600000000, 0.0001114900000000 ] - [ -0.0001154700000000, -0.0000235000000000, -0.0000057000000000 ] - [ 0.0000195800000000, 0.0001338900000000, 0.0004161700000000 ] - [ 0.0001714500000000, -0.0000124200000000, -0.0003084400000000 ] - [ 0.0000396800000000, -0.0001711000000000, -0.0000884800000000 ] - [ 0.0001749400000000, -0.0003596200000000, 0.0000612800000000 ] - [ 0.0108218600000000, 0.0041106000000000, 0.0024439300000000 ] - [ 0.0012844300000000, -0.0004077100000000, 0.0004745500000000 ] - [ -0.0001002900000000, -0.0000348600000000, -0.0002397200000000 ] - [ 0.0004002400000000, -0.0001358900000000, -0.0006711300000000 ] - [ 0.0000571500000000, 0.0002446300000000, -0.0003168700000000 ] - [ -0.0003581100000000, 0.0000280200000000, -0.0001971200000000 ] - [ -0.0001394400000000, 0.0005274200000000, 0.0005201400000000 ] - [ -0.0000211700000000, 0.0000360400000000, -0.0003846200000000 ] - [ -0.0000127100000000, 0.0003500800000000, 0.0009272000000000 ] - [ -0.0000935400000000, -0.0003194700000000, -0.0002340200000000 ] - [ -0.0003011400000000, 0.0000103600000000, -0.0000500200000000 ] - [ 0.0001096700000000, -0.0000518600000000, 0.0001504200000000 ] - [ 0.0001258500000000, -0.0000719700000000, -0.0013706000000000 ] - [ 0.0007503300000000, -0.0018544800000000, 0.0001550200000000 ] - [ 0.0083344500000000, 0.0115344600000000, -0.0024931100000000 ] - [ 0.0002385200000000, -0.0002642700000000, -0.0000370200000000 ] - [ -0.0002115000000000, 0.0004909400000000, 0.0001921500000000 ] - [ 0.0016522200000000, -0.0003432300000000, 0.0003024100000000 ] - [ -0.0012458200000000, -0.0007026600000000, -0.0069677100000000 ] - [ -0.0000627600000000, 0.0000724300000000, 0.0002398000000000 ] - [ -0.0021097300000000, -0.0009673900000000, -0.0053614400000000 ] - [ -0.0008034000000000, 0.0002908200000000, 0.0000261400000000 ] - [ 0.0021907500000000, -0.0003825600000000, 0.0005341400000000 ] - [ 0.0000928100000000, -0.0004878800000000, 0.0001221000000000 ] - [ 0.0001277800000000, -0.0001620300000000, 0.0001530200000000 ] - [ -0.0001048500000000, 0.0001946600000000, 0.0001826700000000 ] - [ -0.0001375800000000, 0.0004967000000000, 0.0001413300000000 ] - [ -0.0008483900000000, 0.0002950600000000, 0.0001668800000000 ] - [ 0.0001126200000000, 0.0001233200000000, -0.0002374700000000 ] - [ 0.0000903600000000, 0.0001068900000000, 0.0000214800000000 ] - [ -0.0001475700000000, 0.0000175900000000, -0.0000373000000000 ] - [ 0.0001328500000000, 0.0000711100000000, -0.0002431700000000 ] - [ 0.0000439600000000, -0.0000220600000000, -0.0003454300000000 ] - [ -0.0000393300000000, 0.0002020200000000, 0.0002029700000000 ] - [ -0.0007433200000000, 0.0015230200000000, 0.0004091400000000 ] - [ 0.0006686700000000, -0.0003714100000000, 0.0003933800000000 ] - [ -0.0005716400000000, -0.0000936400000000, -0.0005286000000000 ] - [ 0.0000630600000000, -0.0001049000000000, -0.0003358400000000 ] - [ -0.0015137900000000, -0.0023241400000000, 0.0023805600000000 ] - [ -0.0000459900000000, 0.0000185100000000, -0.0002455600000000 ] - [ 0.0002903100000000, 0.0007263700000000, -0.0003876000000000 ] - [ -0.0000977200000000, 0.0000298800000000, 0.0001630400000000 ] - [ 0.0001142100000000, 0.0003708400000000, -0.0001187500000000 ] - [ -0.0037851000000000, -0.0017917000000000, -0.0001517700000000 ] - [ -0.0000707400000000, 0.0000889100000000, 0.0000020400000000 ] - [ -0.0000188800000000, -0.0001177500000000, 0.0000287700000000 ] - [ -0.0000295200000000, 0.0001592700000000, -0.0002423900000000 ] - [ -0.0001295600000000, -0.0001114300000000, 0.0011062300000000 ] - [ -0.0004634300000000, 0.0002241900000000, -0.0003093400000000 ] - [ -0.0019256200000000, -0.0007680100000000, -0.0020647800000000 ] - [ -0.0000611300000000, 0.0000261900000000, -0.0000816700000000 ] - [ 0.0001145000000000, -0.0038285300000000, -0.0000823900000000 ] - [ 0.0000686600000000, -0.0000009500000000, 0.0007005000000000 ] - [ -0.0001135200000000, 0.0001365200000000, -0.0002099200000000 ] - [ 0.0000539900000000, 0.0000623600000000, 0.0001738900000000 ] - [ -0.0001921800000000, 0.0000938900000000, -0.0001562500000000 ] - [ 0.0000587200000000, -0.0001062900000000, -0.0002460800000000 ] - [ -0.0000477100000000, -0.0000521000000000, 0.0001489000000000 ] - [ -0.0000071000000000, 0.0000003400000000, 0.0001834300000000 ] - [ -0.0001942900000000, 0.0000817000000000, -0.0002555700000000 ] - [ 0.0050970500000000, -0.0017851100000000, 0.0022216000000000 ] - [ 0.0001771100000000, -0.0002547900000000, -0.0002752200000000 ] - [ 0.0000419400000000, -0.0001128700000000, -0.0000350700000000 ] - [ 0.0010365800000000, 0.0011628400000000, 0.0019188100000000 ] - [ -0.0002554600000000, -0.0000093000000000, -0.0003330500000000 ] - [ -0.0029602600000000, 0.0001873200000000, 0.0002303900000000 ] - [ 0.0021224300000000, -0.0001032000000000, 0.0013940200000000 ] - [ 0.0003388900000000, -0.0004906400000000, -0.0004064300000000 ] - [ 0.0001575200000000, -0.0000842300000000, -0.0002441200000000 ] - [ -0.0010522300000000, -0.0000982100000000, 0.0001951000000000 ] - [ -0.0003203400000000, 0.0001960200000000, 0.0002142600000000 ] - [ -0.0001169700000000, 0.0001285000000000, -0.0002017000000000 ] - [ 0.0025425000000000, -0.0003300300000000, 0.0021514600000000 ] - [ 0.0001464700000000, 0.0000030800000000, -0.0001903200000000 ] - [ -0.0006025500000000, 0.0005285700000000, -0.0000578200000000 ] - [ -0.0000344600000000, -0.0000886200000000, -0.0001705300000000 ] - [ -0.0000664800000000, -0.0000365100000000, 0.0001106300000000 ] - [ -0.0003167000000000, 0.0001109200000000, 0.0014188700000000 ] - [ 0.0000523600000000, 0.0000132000000000, 0.0002438000000000 ] - [ 0.0000342900000000, -0.0000653100000000, -0.0005242700000000 ] - [ 0.0000355700000000, -0.0006783300000000, 0.0005015700000000 ] - [ 0.0001458000000000, -0.0000321600000000, 0.0000197800000000 ] - [ -0.0000654300000000, 0.0007929300000000, 0.0016456900000000 ] - [ -0.0028022500000000, -0.0027641600000000, 0.0006520100000000 ] - [ -0.0000480700000000, -0.0001292300000000, 0.0000257900000000 ] - [ 0.0001817300000000, 0.0001272700000000, -0.0004434900000000 ] - [ 0.0028821100000000, -0.0006249400000000, 0.0007877600000000 ] - [ -0.0001408100000000, 0.0005000200000000, -0.0000069000000000 ] - [ 0.0004026600000000, 0.0003042600000000, 0.0012329000000000 ] - [ -0.0000754600000000, 0.0000257600000000, 0.0009181900000000 ] - [ 0.0005088100000000, -0.0007392500000000, -0.0006915400000000 ] - [ 0.0005226500000000, 0.0007375400000000, -0.0006715600000000 ] - [ 0.0000608800000000, -0.0000427300000000, -0.0001177700000000 ] - [ 0.0000514100000000, 0.0001766700000000, -0.0003309400000000 ] - [ -0.0010615100000000, 0.0000384900000000, -0.0005204800000000 ] - [ -0.0000011200000000, -0.0001251500000000, -0.0001831000000000 ] - [ 0.0001976700000000, -0.0006109300000000, -0.0003244900000000 ] - [ -0.0006529600000000, -0.0002123600000000, -0.0000194600000000 ] - [ 0.0015910300000000, 0.0009847600000000, -0.0011200300000000 ] - [ 0.0015866900000000, -0.0006164600000000, 0.0015339500000000 ] - [ -0.0000134200000000, -0.0002261700000000, -0.0007172900000000 ] - [ 0.0000047100000000, -0.0000061800000000, -0.0000042500000000 ] - [ -0.0004546400000000, -0.0000260500000000, -0.0004044600000000 ] - [ -0.0001543800000000, -0.0000815600000000, 0.0001757500000000 ] - [ -0.0008316900000000, 0.0002532800000000, -0.0001154700000000 ] - [ -0.0003772200000000, 0.0007259400000000, 0.0000675800000000 ] - [ -0.0006983100000000, 0.0002886800000000, -0.0004722600000000 ] - [ 0.0003364900000000, -0.0005874000000000, 0.0002841200000000 ] - [ 0.0000223100000000, -0.0000699300000000, -0.0000682200000000 ] - [ 0.0048675600000000, -0.0019037800000000, 0.0017069300000000 ] - [ -0.0000851700000000, 0.0000145000000000, 0.0001184600000000 ] - [ -0.0001510000000000, 0.0000352000000000, 0.0001941500000000 ] - [ 0.0001014000000000, -0.0001416600000000, -0.0003821500000000 ] - [ 0.0000714500000000, -0.0000003400000000, 0.0000391800000000 ] - [ -0.0001521400000000, 0.0002523700000000, 0.0000288000000000 ] - [ 0.0005032700000000, 0.0002194200000000, -0.0003680900000000 ] - [ 0.0000418800000000, 0.0000058900000000, 0.0000616000000000 ] - [ 0.0000197300000000, 0.0000018300000000, -0.0003581200000000 ] - [ -0.0000740100000000, 0.0000573400000000, -0.0000049500000000 ] - [ -0.0000155100000000, -0.0001626100000000, 0.0004567400000000 ] - [ -0.0000189800000000, 0.0000314600000000, -0.0003345000000000 ] - [ -0.0002082700000000, -0.0001484600000000, 0.0002346800000000 ] - [ 0.0000088300000000, -0.0000193800000000, -0.0003083900000000 ] - [ 0.0002354600000000, -0.0004824800000000, 0.0000564800000000 ] - [ 0.0000032000000000, -0.0000234500000000, 0.0001089600000000 ] - [ -0.0010580300000000, 0.0004985700000000, 0.0001487200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0297041500000000, -0.0018702900000000, 0.0033375900000000 ] - [ 0.0003483900000000, -0.0003394200000000, -0.0003690200000000 ] - [ -0.0007147500000000, -0.0001653300000000, 0.0001632900000000 ] - [ -0.0002297300000000, 0.0001595900000000, 0.0002109400000000 ] - [ -0.0002234100000000, 0.0002198500000000, -0.0002310500000000 ] - [ -0.0001368000000000, -0.0001705900000000, 0.0000215200000000 ] - [ 0.0002845600000000, -0.0000202100000000, 0.0000599600000000 ] - [ -0.0000176100000000, -0.0002249700000000, -0.0002660400000000 ] - [ -0.0008676500000000, 0.0002847100000000, 0.0007474900000000 ] - [ -0.0000776300000000, 0.0001712100000000, -0.0000277700000000 ] - [ -0.0003424900000000, 0.0006800600000000, -0.0001884300000000 ] - [ 0.0000690000000000, -0.0001311400000000, 0.0000782200000000 ] - [ -0.0001108400000000, -0.0001734400000000, -0.0002649000000000 ] - [ -0.0003271800000000, 0.0002150700000000, 0.0002910900000000 ] - [ 0.0002089100000000, 0.0000207700000000, -0.0003359200000000 ] - [ -0.0003171900000000, -0.0005850700000000, 0.0006400000000000 ] - [ 0.0001179300000000, 0.0003374800000000, 0.0001854700000000 ] - [ -0.0005056500000000, 0.0000225400000000, -0.0002976300000000 ] - [ 0.0000916400000000, 0.0000674400000000, 0.0001162700000000 ] - [ -0.0001150200000000, 0.0002507100000000, -0.0002963300000000 ] - [ 0.0001809000000000, -0.0000090100000000, -0.0000368900000000 ] - [ 0.0000104800000000, 0.0000377800000000, 0.0001398200000000 ] - [ -0.0015041500000000, 0.0002174000000000, 0.0001876900000000 ] - [ 0.0000795900000000, -0.0013142200000000, 0.0001348500000000 ] - [ 0.0001009700000000, 0.0001001500000000, 0.0002609900000000 ] - [ -0.0001187800000000, -0.0002161100000000, -0.0002958900000000 ] - [ -0.0000284200000000, 0.0000881700000000, -0.0001463400000000 ] - [ -0.0003599500000000, -0.0004113000000000, 0.0006832700000000 ] - [ -0.0038632600000000, 0.0036979100000000, 0.0002445000000000 ] - [ -0.0000840500000000, 0.0007656600000000, -0.0002566300000000 ] - [ 0.0003675200000000, 0.0000266800000000, 0.0000435300000000 ] - [ 0.0002943800000000, -0.0001260100000000, -0.0002148700000000 ] - [ 0.0016412000000000, -0.0011227400000000, 0.0019655800000000 ] - [ -0.0005945900000000, -0.0001548300000000, -0.0002685900000000 ] - [ 0.0000717900000000, 0.0001209100000000, 0.0001359500000000 ] - [ -0.0003165900000000, -0.0002055900000000, -0.0015805500000000 ] - [ -0.0002330000000000, 0.0003257000000000, 0.0000945900000000 ] - [ -0.0001620500000000, 0.0002556300000000, -0.0001541100000000 ] - [ -0.0001512000000000, -0.0003322300000000, -0.0000152600000000 ] - [ -0.0004599700000000, -0.0000732600000000, -0.0034321900000000 ] - [ 0.0001966200000000, 0.0000194700000000, -0.0002798500000000 ] - [ 0.0012619800000000, -0.0008186100000000, 0.0009916900000000 ] - [ -0.0000594600000000, -0.0001111700000000, -0.0001410100000000 ] - [ -0.0001086600000000, 0.0002194200000000, 0.0000036600000000 ] - [ -0.0000392800000000, -0.0001892100000000, -0.0000234200000000 ] - [ -0.0019869400000000, 0.0017951200000000, 0.0001470200000000 ] - [ -0.0001601900000000, 0.0001734200000000, -0.0002557700000000 ] - [ -0.0001787700000000, -0.0000051900000000, 0.0000135400000000 ] - [ -0.0001572800000000, 0.0002137100000000, 0.0002588800000000 ] - [ 0.0001098500000000, 0.0000278800000000, -0.0001390900000000 ] - [ 0.0004037200000000, -0.0004496100000000, -0.0003520400000000 ] - [ -0.0008445400000000, 0.0000163700000000, 0.0001587800000000 ] - [ -0.0007656700000000, 0.0001954800000000, 0.0008672700000000 ] - [ 0.0001295000000000, 0.0000267900000000, 0.0000029600000000 ] - [ 0.0022063800000000, 0.0000280000000000, 0.0001216500000000 ] - [ 0.0003272000000000, -0.0001214700000000, 0.0001089500000000 ] - [ -0.0001280300000000, -0.0002154100000000, 0.0000564900000000 ] - [ 0.0011259800000000, 0.0000022700000000, 0.0003149300000000 ] - [ -0.0000236700000000, -0.0002184200000000, 0.0005880600000000 ] - [ -0.0001531900000000, 0.0001119100000000, 0.0001690400000000 ] - [ 0.0002891700000000, -0.0000537000000000, -0.0002777700000000 ] - [ -0.0003485000000000, -0.0001673800000000, -0.0001622100000000 ] - [ 0.0001010200000000, 0.0003734000000000, 0.0000533400000000 ] - [ -0.0107607100000000, -0.0041145100000000, -0.0018782800000000 ] - [ -0.0013567600000000, 0.0005170800000000, -0.0002337700000000 ] - [ 0.0001071400000000, 0.0000300000000000, 0.0004041200000000 ] - [ -0.0003983500000000, 0.0001362800000000, -0.0003183300000000 ] - [ 0.0002236500000000, 0.0002424700000000, 0.0002154400000000 ] - [ 0.0003574400000000, -0.0000278700000000, -0.0007946900000000 ] - [ 0.0001363500000000, -0.0005309000000000, 0.0003794000000000 ] - [ 0.0000207500000000, -0.0000362700000000, -0.0002913800000000 ] - [ 0.0002513600000000, 0.0000604800000000, -0.0013986100000000 ] - [ -0.0003718900000000, 0.0003191600000000, -0.0002398500000000 ] - [ -0.0002647500000000, -0.0000100000000000, -0.0000495200000000 ] - [ -0.0001172900000000, 0.0000558500000000, 0.0000116800000000 ] - [ 0.0001039100000000, -0.0003314100000000, 0.0008925100000000 ] - [ -0.0008550300000000, 0.0018526900000000, 0.0004369300000000 ] - [ -0.0083406000000000, -0.0114621100000000, 0.0030621900000000 ] - [ 0.0000442700000000, -0.0002260000000000, -0.0000628600000000 ] - [ 0.0003475500000000, -0.0004911600000000, 0.0000439900000000 ] - [ -0.0016351300000000, 0.0003366500000000, -0.0009037400000000 ] - [ 0.0012147900000000, 0.0007191200000000, 0.0063965900000000 ] - [ 0.0000627500000000, -0.0000716700000000, 0.0004617900000000 ] - [ 0.0020451900000000, 0.0008536600000000, 0.0055618500000000 ] - [ 0.0008025600000000, -0.0002967000000000, -0.0002674000000000 ] - [ -0.0021804200000000, 0.0003538000000000, -0.0007494300000000 ] - [ -0.0000885900000000, 0.0004933700000000, 0.0002052700000000 ] - [ -0.0000101900000000, -0.0000370900000000, 0.0001006400000000 ] - [ 0.0005337300000000, -0.0000137700000000, 0.0003638200000000 ] - [ 0.0007631600000000, -0.0005020100000000, 0.0002838000000000 ] - [ 0.0008483200000000, -0.0002978400000000, 0.0009051400000000 ] - [ 0.0000851300000000, 0.0001523300000000, -0.0004127000000000 ] - [ 0.0000665500000000, 0.0001651300000000, -0.0001152500000000 ] - [ -0.0001576200000000, -0.0000099000000000, -0.0000557600000000 ] - [ 0.0001351800000000, 0.0000795400000000, -0.0002549600000000 ] - [ -0.0000449500000000, 0.0000200000000000, -0.0004748000000000 ] - [ 0.0001221400000000, -0.0002065600000000, 0.0002480700000000 ] - [ 0.0002400800000000, -0.0011330000000000, -0.0000330300000000 ] - [ 0.0004411000000000, 0.0003773600000000, 0.0004118700000000 ] - [ -0.0010910900000000, 0.0000408100000000, -0.0004397400000000 ] - [ 0.0001389900000000, -0.0001720200000000, -0.0003145500000000 ] - [ 0.0014315900000000, 0.0021780900000000, -0.0025876800000000 ] - [ -0.0002949700000000, 0.0000180700000000, -0.0004051900000000 ] - [ 0.0005786000000000, 0.0006825600000000, -0.0005821600000000 ] - [ -0.0001327800000000, -0.0000277700000000, 0.0000904900000000 ] - [ 0.0001566700000000, 0.0000742300000000, -0.0001283500000000 ] - [ 0.0043448600000000, 0.0020252200000000, 0.0005335100000000 ] - [ -0.0000532300000000, 0.0001259000000000, 0.0000035300000000 ] - [ -0.0001143200000000, -0.0001129800000000, -0.0004020400000000 ] - [ 0.0000266000000000, 0.0001487300000000, -0.0002558900000000 ] - [ 0.0000856900000000, 0.0001808600000000, -0.0006520500000000 ] - [ 0.0006932900000000, -0.0006113900000000, -0.0000293500000000 ] - [ 0.0018270300000000, 0.0009044000000000, 0.0018660100000000 ] - [ 0.0000632100000000, -0.0000235100000000, 0.0000525800000000 ] - [ -0.0001888800000000, 0.0044588900000000, 0.0004611100000000 ] - [ -0.0000714100000000, -0.0000029100000000, 0.0009296400000000 ] - [ -0.0003398700000000, -0.0001337300000000, -0.0001275200000000 ] - [ 0.0000615300000000, 0.0001377000000000, 0.0000785800000000 ] - [ -0.0000205600000000, -0.0001027000000000, -0.0001792300000000 ] - [ 0.0000766900000000, -0.0001974900000000, -0.0004016000000000 ] - [ -0.0004724000000000, 0.0000594600000000, -0.0003948200000000 ] - [ 0.0002573900000000, 0.0004558800000000, -0.0004295100000000 ] - [ -0.0000650400000000, 0.0000833000000000, -0.0002449400000000 ] - [ -0.0059748200000000, 0.0010290900000000, -0.0018841300000000 ] - [ -0.0000473900000000, 0.0002601000000000, -0.0002351500000000 ] - [ 0.0001177300000000, -0.0001476800000000, -0.0000581300000000 ] - [ -0.0011180700000000, -0.0013150700000000, -0.0016048100000000 ] - [ -0.0000749400000000, -0.0000255600000000, -0.0003139600000000 ] - [ 0.0026333500000000, 0.0003316900000000, 0.0001951500000000 ] - [ -0.0024914200000000, 0.0003813800000000, -0.0008418900000000 ] - [ -0.0000826500000000, 0.0000135800000000, 0.0001586200000000 ] - [ 0.0001148500000000, -0.0000580400000000, -0.0002564000000000 ] - [ 0.0007000300000000, -0.0001720100000000, 0.0003491400000000 ] - [ -0.0002286000000000, 0.0007678100000000, 0.0005905300000000 ] - [ -0.0000133200000000, 0.0001121400000000, -0.0001693100000000 ] - [ -0.0025095600000000, 0.0002722900000000, -0.0011330300000000 ] - [ 0.0001270500000000, 0.0000039200000000, -0.0001809900000000 ] - [ 0.0005154200000000, -0.0003743200000000, 0.0003728800000000 ] - [ -0.0002259000000000, -0.0000679500000000, -0.0003267800000000 ] - [ 0.0001661700000000, -0.0001516200000000, -0.0004455300000000 ] - [ 0.0005078300000000, -0.0001063700000000, -0.0011123700000000 ] - [ -0.0000507800000000, -0.0000099900000000, -0.0002749700000000 ] - [ -0.0000315500000000, 0.0000696600000000, -0.0003519200000000 ] - [ -0.0005844900000000, -0.0002738200000000, 0.0003016400000000 ] - [ 0.0001023500000000, 0.0000319100000000, -0.0000141500000000 ] - [ 0.0004876400000000, -0.0009703200000000, -0.0010843800000000 ] - [ 0.0027430300000000, 0.0021380300000000, -0.0002697300000000 ] - [ -0.0000740600000000, -0.0000828300000000, -0.0000205100000000 ] - [ -0.0000811900000000, 0.0000481700000000, 0.0001092500000000 ] - [ -0.0029582300000000, 0.0005563300000000, -0.0012471000000000 ] - [ 0.0003158900000000, -0.0005072900000000, -0.0001918700000000 ] - [ -0.0001822200000000, 0.0000805900000000, -0.0015665700000000 ] - [ 0.0000736500000000, -0.0000304100000000, 0.0007106100000000 ] - [ 0.0003573800000000, -0.0006773500000000, -0.0002769600000000 ] - [ 0.0002640500000000, 0.0007206200000000, -0.0002976000000000 ] - [ 0.0002064200000000, -0.0004065000000000, -0.0001291200000000 ] - [ 0.0000880300000000, 0.0001314900000000, -0.0003186100000000 ] - [ -0.0005988600000000, 0.0000030700000000, -0.0004496100000000 ] - [ -0.0000040000000000, -0.0001790700000000, -0.0003143600000000 ] - [ 0.0005876200000000, -0.0008556200000000, -0.0006447300000000 ] - [ 0.0005641600000000, 0.0000704600000000, 0.0003386100000000 ] - [ -0.0007724100000000, -0.0010321400000000, 0.0014582000000000 ] - [ -0.0016635200000000, 0.0007450900000000, -0.0012248600000000 ] - [ -0.0000316500000000, 0.0001495900000000, 0.0011727800000000 ] - [ -0.0000074900000000, 0.0000011300000000, -0.0000767100000000 ] - [ -0.0000875600000000, 0.0000099200000000, 0.0001566300000000 ] - [ 0.0000943900000000, 0.0005377500000000, 0.0003718600000000 ] - [ 0.0009882400000000, -0.0002593100000000, 0.0004365500000000 ] - [ -0.0001217900000000, -0.0010987900000000, 0.0003083600000000 ] - [ 0.0006385400000000, -0.0001700700000000, -0.0000405200000000 ] - [ -0.0003956600000000, 0.0001457300000000, 0.0002608900000000 ] - [ 0.0000207600000000, -0.0000160700000000, 0.0000196500000000 ] - [ -0.0050256900000000, 0.0017971300000000, -0.0015896000000000 ] - [ 0.0000821300000000, -0.0000315700000000, 0.0000388500000000 ] - [ -0.0003076100000000, -0.0000302600000000, 0.0001425200000000 ] - [ -0.0000732200000000, 0.0000940100000000, 0.0004145400000000 ] - [ -0.0000743800000000, -0.0000047400000000, 0.0001162600000000 ] - [ 0.0000972500000000, -0.0002525500000000, 0.0000054400000000 ] - [ -0.0002709300000000, 0.0001856900000000, 0.0006996500000000 ] - [ 0.0000003000000000, 0.0000677300000000, -0.0001160300000000 ] - [ -0.0000026600000000, 0.0000280900000000, -0.0003456900000000 ] - [ -0.0000217300000000, -0.0000633200000000, -0.0000432300000000 ] - [ 0.0000406500000000, 0.0002074100000000, -0.0004268500000000 ] - [ 0.0000043700000000, -0.0000239700000000, -0.0003738800000000 ] - [ 0.0004433500000000, -0.0002447200000000, 0.0001026100000000 ] - [ 0.0000054500000000, 0.0000106500000000, -0.0003999600000000 ] - [ 0.0000013500000000, 0.0004844600000000, 0.0001410900000000 ] - [ -0.0000166200000000, 0.0000116800000000, 0.0000482200000000 ] - [ 0.0009404200000000, -0.0002876200000000, 0.0000505700000000 ]- atom: 1 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0166048900000000, -0.0277488900000000, 0.0058014800000000 ] - [ 0.0005398900000000, 0.0003428600000000, 0.0003473200000000 ] - [ -0.0003061000000000, 0.0003239400000000, 0.0001074600000000 ] - [ -0.0005138200000000, 0.0003436700000000, 0.0002324000000000 ] - [ -0.0002183200000000, 0.0003374000000000, -0.0002369200000000 ] - [ -0.0001612800000000, -0.0001536500000000, 0.0000449100000000 ] - [ 0.0002682400000000, -0.0000559800000000, 0.0000329000000000 ] - [ -0.0000800800000000, -0.0001865300000000, -0.0004513600000000 ] - [ -0.0007018000000000, -0.0003467200000000, 0.0001603500000000 ] - [ -0.0000637400000000, 0.0002163600000000, 0.0000421500000000 ] - [ -0.0006289400000000, 0.0012230400000000, -0.0004887700000000 ] - [ 0.0000763300000000, 0.0000229700000000, 0.0003373900000000 ] - [ -0.0001262300000000, -0.0001525400000000, -0.0002364500000000 ] - [ -0.0006100200000000, 0.0004148600000000, 0.0002718800000000 ] - [ 0.0001461100000000, -0.0000820600000000, -0.0003876100000000 ] - [ 0.0000700300000000, -0.0000165900000000, 0.0002557900000000 ] - [ -0.0000070000000000, 0.0007085200000000, 0.0002787300000000 ] - [ -0.0000083200000000, 0.0000085500000000, 0.0001908600000000 ] - [ 0.0001378500000000, 0.0001389900000000, -0.0000158400000000 ] - [ -0.0001353200000000, 0.0002808500000000, -0.0002943900000000 ] - [ 0.0002122200000000, -0.0000056900000000, 0.0000247700000000 ] - [ 0.0000607400000000, 0.0000360600000000, 0.0000528100000000 ] - [ -0.0003624400000000, -0.0004545500000000, 0.0001820000000000 ] - [ 0.0004540300000000, 0.0002182400000000, 0.0001055400000000 ] - [ 0.0000540100000000, 0.0001910300000000, 0.0002197900000000 ] - [ -0.0001281800000000, -0.0002736700000000, -0.0002763800000000 ] - [ -0.0000119100000000, 0.0001001600000000, -0.0001023100000000 ] - [ 0.0000372100000000, 0.0001000000000000, 0.0001699700000000 ] - [ -0.0048705700000000, 0.0018742400000000, 0.0002189400000000 ] - [ -0.0005730800000000, 0.0011784000000000, -0.0007448600000000 ] - [ 0.0003585300000000, 0.0000576900000000, 0.0000709800000000 ] - [ 0.0004023400000000, 0.0000366800000000, -0.0002359400000000 ] - [ 0.0018121700000000, -0.0006349600000000, -0.0016443700000000 ] - [ -0.0001059500000000, -0.0000992800000000, 0.0001614100000000 ] - [ -0.0000641000000000, 0.0000466300000000, 0.0003327800000000 ] - [ -0.0002209500000000, -0.0015318000000000, -0.0007045300000000 ] - [ -0.0002311900000000, 0.0002799800000000, 0.0000708100000000 ] - [ -0.0001123200000000, 0.0003440500000000, -0.0001603200000000 ] - [ -0.0001566400000000, -0.0003896400000000, 0.0000599400000000 ] - [ -0.0002351700000000, -0.0019186600000000, -0.0017562200000000 ] - [ 0.0002065100000000, 0.0000166000000000, -0.0002509800000000 ] - [ 0.0014399800000000, -0.0007022800000000, -0.0007220300000000 ] - [ -0.0000384200000000, -0.0000809700000000, -0.0001200000000000 ] - [ -0.0001286000000000, 0.0002282200000000, 0.0000154800000000 ] - [ 0.0000461500000000, -0.0000966100000000, 0.0000514400000000 ] - [ -0.0026499000000000, 0.0006590000000000, 0.0002464800000000 ] - [ -0.0001600900000000, 0.0001400500000000, -0.0002351400000000 ] - [ -0.0002393500000000, 0.0000716100000000, -0.0000218100000000 ] - [ -0.0002532300000000, 0.0003155200000000, 0.0004590400000000 ] - [ 0.0000912200000000, 0.0000543300000000, -0.0001031600000000 ] - [ 0.0006519300000000, 0.0003643800000000, 0.0003423300000000 ] - [ -0.0003130000000000, 0.0004589300000000, 0.0001850400000000 ] - [ -0.0005938900000000, -0.0003569300000000, 0.0002979200000000 ] - [ 0.0000984300000000, -0.0002800000000000, 0.0001316300000000 ] - [ 0.0009522700000000, 0.0057537700000000, -0.0001697200000000 ] - [ 0.0003906900000000, -0.0002109400000000, 0.0004070800000000 ] - [ -0.0000991900000000, -0.0001806800000000, 0.0000273000000000 ] - [ 0.0004628400000000, 0.0027879900000000, 0.0002456500000000 ] - [ -0.0000698600000000, -0.0004267200000000, 0.0006373300000000 ] - [ -0.0001313100000000, -0.0000199400000000, 0.0002247800000000 ] - [ 0.0003062100000000, -0.0000751100000000, -0.0002765600000000 ] - [ -0.0002587500000000, -0.0002664000000000, -0.0001561300000000 ] - [ 0.0000133400000000, 0.0007900600000000, 0.0000944600000000 ] - [ 0.0030511400000000, -0.0027915400000000, 0.0010463300000000 ] - [ -0.0010434200000000, 0.0000401000000000, -0.0002911600000000 ] - [ 0.0000288300000000, -0.0000472400000000, 0.0007220900000000 ] - [ -0.0003554100000000, 0.0000049200000000, -0.0002220000000000 ] - [ 0.0001950100000000, 0.0001782200000000, 0.0004877400000000 ] - [ 0.0002012400000000, -0.0003592500000000, -0.0010784100000000 ] - [ 0.0008547800000000, 0.0014618900000000, -0.0001327600000000 ] - [ 0.0000468000000000, 0.0000824500000000, -0.0002631800000000 ] - [ 0.0003689100000000, -0.0000352300000000, -0.0002585500000000 ] - [ -0.0005908900000000, 0.0005854800000000, -0.0002509400000000 ] - [ -0.0002321500000000, 0.0000804200000000, -0.0000593500000000 ] - [ -0.0000531500000000, 0.0000023100000000, 0.0000330300000000 ] - [ 0.0002232300000000, -0.0005570100000000, -0.0002775800000000 ] - [ -0.0020277800000000, 0.0034381100000000, 0.0005623400000000 ] - [ 0.0009869900000000, -0.0041847600000000, 0.0010451200000000 ] - [ 0.0000454000000000, -0.0002450300000000, -0.0000590700000000 ] - [ 0.0005788600000000, 0.0008744600000000, -0.0003014000000000 ] - [ -0.0014659800000000, 0.0000225000000000, -0.0008551800000000 ] - [ -0.0000288700000000, 0.0000216400000000, 0.0128217200000000 ] - [ 0.0001350300000000, 0.0002471600000000, 0.0007506900000000 ] - [ 0.0002413900000000, -0.0004447400000000, 0.0111048400000000 ] - [ 0.0005477800000000, -0.0000364500000000, -0.0002322300000000 ] - [ -0.0013828700000000, 0.0023685800000000, -0.0013208600000000 ] - [ -0.0002620500000000, -0.0005260400000000, 0.0000822800000000 ] - [ -0.0000197400000000, -0.0001591200000000, 0.0000074600000000 ] - [ 0.0006859000000000, 0.0000097800000000, 0.0004031500000000 ] - [ 0.0014656200000000, -0.0010496100000000, 0.0004009500000000 ] - [ 0.0005411400000000, -0.0000274600000000, 0.0009057400000000 ] - [ 0.0001405300000000, 0.0002618700000000, -0.0004909700000000 ] - [ 0.0001038500000000, 0.0002538600000000, -0.0001992500000000 ] - [ -0.0001671900000000, -0.0000356200000000, -0.0000640800000000 ] - [ 0.0001026800000000, 0.0000265300000000, -0.0002506800000000 ] - [ -0.0000990000000000, -0.0001793000000000, -0.0006770100000000 ] - [ 0.0002593500000000, -0.0003748300000000, 0.0002752600000000 ] - [ 0.0010961300000000, -0.0022038200000000, -0.0002380300000000 ] - [ 0.0000479400000000, -0.0003092500000000, 0.0004530600000000 ] - [ -0.0010143300000000, 0.0001501300000000, -0.0002577100000000 ] - [ 0.0001139400000000, -0.0001246300000000, -0.0003322600000000 ] - [ -0.0002774100000000, 0.0009146900000000, -0.0006158600000000 ] - [ -0.0002977600000000, 0.0000358600000000, -0.0004910400000000 ] - [ 0.0006468000000000, 0.0007120800000000, -0.0006442100000000 ] - [ -0.0001200500000000, -0.0001133100000000, 0.0000080800000000 ] - [ 0.0001981500000000, -0.0000393800000000, -0.0001346900000000 ] - [ 0.0007889600000000, 0.0009057100000000, 0.0000493100000000 ] - [ -0.0000434800000000, 0.0000573000000000, -0.0000208700000000 ] - [ -0.0000944100000000, -0.0000711600000000, -0.0006166400000000 ] - [ 0.0000407100000000, 0.0001467300000000, -0.0002651400000000 ] - [ -0.0000870700000000, 0.0002803500000000, 0.0002990800000000 ] - [ 0.0005470100000000, -0.0001165000000000, -0.0000373500000000 ] - [ -0.0007572700000000, 0.0007434900000000, -0.0005739400000000 ] - [ 0.0000361100000000, 0.0000009500000000, 0.0000434000000000 ] - [ -0.0017039400000000, 0.0020280300000000, 0.0004354400000000 ] - [ -0.0000352700000000, 0.0000589400000000, 0.0010351500000000 ] - [ -0.0003921100000000, -0.0004531000000000, -0.0000403400000000 ] - [ -0.0000442200000000, -0.0000621900000000, 0.0000005500000000 ] - [ 0.0001085000000000, -0.0001945800000000, -0.0001898300000000 ] - [ 0.0001134500000000, -0.0002250400000000, -0.0004779600000000 ] - [ -0.0003687700000000, 0.0001545000000000, -0.0001133200000000 ] - [ 0.0001290300000000, 0.0003121100000000, -0.0001445600000000 ] - [ -0.0000711600000000, 0.0000850900000000, -0.0002520000000000 ] - [ -0.0025557600000000, 0.0022778800000000, -0.0003911900000000 ] - [ -0.0001708300000000, -0.0004319900000000, -0.0000243100000000 ] - [ 0.0001164700000000, -0.0001238600000000, -0.0000643700000000 ] - [ -0.0011963800000000, -0.0017094400000000, -0.0028085600000000 ] - [ -0.0001185600000000, -0.0000153300000000, -0.0003180700000000 ] - [ -0.0007876400000000, 0.0024190800000000, 0.0004221900000000 ] - [ -0.0022503400000000, 0.0005638700000000, -0.0022584500000000 ] - [ -0.0000731500000000, -0.0001218500000000, -0.0001311900000000 ] - [ 0.0001115400000000, -0.0000993600000000, -0.0002662400000000 ] - [ 0.0003550700000000, -0.0001114500000000, 0.0004435200000000 ] - [ -0.0002198200000000, -0.0000753500000000, 0.0004514700000000 ] - [ -0.0000105800000000, 0.0001237400000000, -0.0001645600000000 ] - [ -0.0014538800000000, 0.0024948300000000, -0.0027736400000000 ] - [ 0.0001107700000000, -0.0000441700000000, -0.0001643200000000 ] - [ 0.0003698100000000, -0.0003290400000000, 0.0003637700000000 ] - [ -0.0002450300000000, -0.0000448600000000, -0.0003949000000000 ] - [ 0.0000412800000000, 0.0001613100000000, -0.0001819300000000 ] - [ 0.0020880900000000, 0.0002381500000000, -0.0028158700000000 ] - [ -0.0000152600000000, 0.0000291700000000, -0.0005320800000000 ] - [ -0.0001760500000000, -0.0002980800000000, 0.0000165200000000 ] - [ -0.0009213900000000, -0.0016264700000000, 0.0010431700000000 ] - [ 0.0000718700000000, -0.0000182400000000, -0.0000206200000000 ] - [ 0.0010921200000000, -0.0016854000000000, -0.0024534300000000 ] - [ -0.0009161300000000, -0.0003312400000000, 0.0000513900000000 ] - [ -0.0000850100000000, -0.0001388600000000, 0.0000055200000000 ] - [ -0.0000386100000000, 0.0002520700000000, -0.0001556200000000 ] - [ -0.0020584800000000, 0.0034387300000000, -0.0021743100000000 ] - [ 0.0006337400000000, -0.0009451000000000, -0.0002704300000000 ] - [ 0.0007711600000000, 0.0022561000000000, -0.0027250800000000 ] - [ 0.0000589600000000, -0.0000031800000000, 0.0006446300000000 ] - [ 0.0003684000000000, -0.0005952200000000, -0.0000777800000000 ] - [ 0.0003310400000000, 0.0009851300000000, -0.0002619600000000 ] - [ 0.0003254500000000, -0.0005571000000000, -0.0001345000000000 ] - [ 0.0000886100000000, 0.0001370900000000, -0.0003320200000000 ] - [ -0.0006606200000000, 0.0000289500000000, -0.0004983200000000 ] - [ 0.0000168000000000, -0.0001938400000000, -0.0003807400000000 ] - [ 0.0005856300000000, -0.0007559100000000, -0.0006451500000000 ] - [ 0.0004330400000000, 0.0002844600000000, 0.0003624500000000 ] - [ -0.0012241200000000, 0.0028736300000000, -0.0003475200000000 ] - [ -0.0014305100000000, 0.0024179100000000, -0.0025511900000000 ] - [ -0.0002114400000000, 0.0001239100000000, 0.0002830100000000 ] - [ -0.0000149200000000, -0.0000262700000000, -0.0001068300000000 ] - [ -0.0003501900000000, 0.0000239000000000, -0.0001510600000000 ] - [ -0.0003153400000000, -0.0002272600000000, 0.0004471600000000 ] - [ 0.0010651100000000, -0.0000202500000000, 0.0005120700000000 ] - [ 0.0000784500000000, -0.0017290000000000, 0.0003922300000000 ] - [ 0.0004640800000000, 0.0000492400000000, -0.0000309000000000 ] - [ -0.0003065100000000, -0.0005575200000000, 0.0004092000000000 ] - [ 0.0000006600000000, 0.0000186200000000, -0.0000687900000000 ] - [ -0.0041042900000000, 0.0068907600000000, -0.0031795300000000 ] - [ 0.0000658200000000, -0.0000017800000000, 0.0000111100000000 ] - [ -0.0004330500000000, -0.0003323800000000, 0.0000747000000000 ] - [ -0.0002541100000000, 0.0001472900000000, -0.0000256800000000 ] - [ -0.0000343400000000, 0.0000650500000000, 0.0001432100000000 ] - [ 0.0002556400000000, -0.0004856800000000, -0.0000051300000000 ] - [ -0.0000857400000000, 0.0004690900000000, 0.0012325300000000 ] - [ -0.0000198600000000, 0.0000906600000000, -0.0000727000000000 ] - [ -0.0000159000000000, 0.0000315000000000, -0.0003920800000000 ] - [ 0.0000161300000000, -0.0001155200000000, -0.0000639200000000 ] - [ -0.0000247200000000, 0.0002987000000000, -0.0000109400000000 ] - [ 0.0000233000000000, -0.0000476600000000, -0.0003941900000000 ] - [ 0.0005088100000000, -0.0002127300000000, 0.0000765400000000 ] - [ -0.0000017700000000, 0.0000257700000000, -0.0003945700000000 ] - [ -0.0001397800000000, -0.0005444400000000, 0.0001126000000000 ] - [ -0.0000350800000000, -0.0000670000000000, 0.0000107800000000 ] - [ 0.0005468500000000, 0.0001084400000000, 0.0001150200000000 ]- atom: 1 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0164006700000000, 0.0278812300000000, -0.0051389800000000 ] - [ -0.0006518400000000, -0.0001181900000000, -0.0000124300000000 ] - [ 0.0002574500000000, -0.0002183400000000, 0.0001713500000000 ] - [ 0.0005302200000000, -0.0006196000000000, 0.0000152100000000 ] - [ -0.0000301600000000, 0.0001081000000000, -0.0002065700000000 ] - [ -0.0000601000000000, -0.0002305000000000, -0.0000522700000000 ] - [ 0.0001847600000000, 0.0000605300000000, -0.0000437100000000 ] - [ -0.0001788600000000, -0.0002622500000000, 0.0000128600000000 ] - [ 0.0005738000000000, 0.0005945600000000, -0.0000437100000000 ] - [ -0.0001706000000000, 0.0001737400000000, -0.0000534800000000 ] - [ 0.0006429400000000, -0.0009331200000000, 0.0007307100000000 ] - [ -0.0002152500000000, -0.0004592100000000, -0.0005882400000000 ] - [ -0.0000726500000000, -0.0002539100000000, -0.0003512700000000 ] - [ 0.0006416200000000, -0.0005713000000000, 0.0002297100000000 ] - [ 0.0002844700000000, -0.0000254900000000, 0.0001301700000000 ] - [ -0.0001875300000000, -0.0001867600000000, 0.0000840500000000 ] - [ 0.0002597400000000, -0.0006929800000000, 0.0000585500000000 ] - [ 0.0002513400000000, 0.0001487800000000, 0.0000492300000000 ] - [ -0.0001684000000000, 0.0001584700000000, 0.0001246800000000 ] - [ -0.0000595400000000, 0.0001489100000000, -0.0002938800000000 ] - [ 0.0002426300000000, -0.0000019600000000, -0.0000361500000000 ] - [ 0.0002119500000000, 0.0000865700000000, 0.0000560400000000 ] - [ 0.0004172300000000, 0.0000221400000000, 0.0002433400000000 ] - [ -0.0003392200000000, -0.0002111700000000, 0.0001724100000000 ] - [ 0.0002259200000000, -0.0001835000000000, 0.0003645400000000 ] - [ -0.0001243000000000, -0.0001015500000000, -0.0003112800000000 ] - [ -0.0000965200000000, 0.0001050500000000, -0.0002297600000000 ] - [ -0.0001891300000000, -0.0001532600000000, 0.0003336900000000 ] - [ 0.0051527500000000, -0.0016067500000000, 0.0002096600000000 ] - [ 0.0005891700000000, -0.0010209300000000, 0.0012394400000000 ] - [ 0.0003894900000000, -0.0000694200000000, -0.0000293700000000 ] - [ 0.0001077500000000, -0.0000295300000000, -0.0002069800000000 ] - [ -0.0016814400000000, 0.0007159100000000, 0.0021514900000000 ] - [ 0.0002382100000000, -0.0000072600000000, 0.0003382200000000 ] - [ 0.0005002000000000, 0.0000581000000000, -0.0005922700000000 ] - [ -0.0000282700000000, 0.0014131500000000, 0.0009474200000000 ] - [ -0.0001530600000000, 0.0003622000000000, -0.0000288000000000 ] - [ -0.0000158300000000, 0.0000853700000000, -0.0000982500000000 ] - [ -0.0002207700000000, -0.0002636700000000, -0.0000216700000000 ] - [ 0.0001120200000000, 0.0016845500000000, 0.0018873300000000 ] - [ 0.0002628300000000, 0.0000296800000000, -0.0003372000000000 ] - [ -0.0012099300000000, 0.0005235600000000, 0.0009609200000000 ] - [ -0.0000716100000000, -0.0001093000000000, -0.0002193700000000 ] - [ -0.0000940800000000, 0.0001663100000000, -0.0000264900000000 ] - [ -0.0000784200000000, -0.0002085700000000, 0.0000480100000000 ] - [ 0.0030108700000000, -0.0009136300000000, 0.0001804500000000 ] - [ -0.0001276300000000, 0.0002255000000000, -0.0003513900000000 ] - [ -0.0000089100000000, -0.0002519400000000, 0.0001215200000000 ] - [ 0.0000167500000000, -0.0001383600000000, -0.0003521400000000 ] - [ 0.0001402600000000, -0.0000455300000000, -0.0002287200000000 ] - [ -0.0008123800000000, -0.0003037100000000, 0.0001553500000000 ] - [ -0.0000756200000000, -0.0002911800000000, 0.0002408900000000 ] - [ 0.0003198900000000, 0.0004660700000000, -0.0000564600000000 ] - [ -0.0004065000000000, 0.0005989800000000, -0.0003886900000000 ] - [ -0.0009995000000000, -0.0058025800000000, 0.0004360200000000 ] - [ -0.0001190600000000, 0.0000950800000000, -0.0002997300000000 ] - [ -0.0001231100000000, -0.0002032300000000, -0.0000344000000000 ] - [ -0.0008697700000000, -0.0029794200000000, 0.0001799500000000 ] - [ -0.0000707600000000, 0.0001839800000000, -0.0000555700000000 ] - [ -0.0000021100000000, 0.0002667300000000, 0.0003585300000000 ] - [ 0.0001541100000000, 0.0000089700000000, -0.0003101600000000 ] - [ -0.0000501400000000, -0.0000712700000000, -0.0000942400000000 ] - [ 0.0002629600000000, -0.0007793500000000, 0.0000201800000000 ] - [ -0.0030579500000000, 0.0027098400000000, -0.0004636900000000 ] - [ 0.0009767600000000, 0.0000744600000000, 0.0005282000000000 ] - [ -0.0000222600000000, 0.0000429100000000, -0.0005590900000000 ] - [ 0.0003555700000000, -0.0000056100000000, -0.0007689500000000 ] - [ 0.0000856200000000, 0.0003089900000000, -0.0005865700000000 ] - [ -0.0002022300000000, 0.0003595800000000, 0.0000886600000000 ] - [ -0.0008511100000000, -0.0014590400000000, 0.0010337900000000 ] - [ -0.0000468600000000, -0.0000823300000000, -0.0004123600000000 ] - [ -0.0001324400000000, 0.0004455500000000, -0.0002071800000000 ] - [ 0.0001259400000000, -0.0005864600000000, -0.0002261300000000 ] - [ -0.0003341500000000, -0.0000801100000000, -0.0000391500000000 ] - [ 0.0000451000000000, 0.0000014300000000, 0.0001304100000000 ] - [ 0.0000078900000000, 0.0001552400000000, -0.0001950600000000 ] - [ 0.0019209500000000, -0.0034330000000000, 0.0000334800000000 ] - [ -0.0009083300000000, 0.0043376600000000, -0.0004564000000000 ] - [ 0.0002377600000000, -0.0002447100000000, -0.0000399400000000 ] - [ -0.0004483900000000, -0.0008776200000000, 0.0005381900000000 ] - [ 0.0014813000000000, -0.0000331000000000, 0.0002592600000000 ] - [ 0.0000132800000000, -0.0000116000000000, -0.0134515400000000 ] - [ -0.0001340800000000, -0.0002454500000000, -0.0000479200000000 ] - [ -0.0003139500000000, 0.0003347200000000, -0.0108626500000000 ] - [ -0.0005473700000000, 0.0000338100000000, -0.0000071300000000 ] - [ 0.0014534400000000, -0.0024949500000000, 0.0012097300000000 ] - [ 0.0002618400000000, 0.0005285000000000, 0.0002450500000000 ] - [ 0.0001374400000000, -0.0000411200000000, 0.0002451600000000 ] - [ -0.0002602700000000, 0.0001692200000000, 0.0001422600000000 ] - [ -0.0008368200000000, 0.0010458700000000, 0.0000265400000000 ] - [ -0.0005405800000000, 0.0000277500000000, 0.0001630200000000 ] - [ 0.0000563400000000, 0.0000124400000000, -0.0001578700000000 ] - [ 0.0000532100000000, 0.0000183600000000, 0.0001061900000000 ] - [ -0.0001378900000000, 0.0000435800000000, -0.0000278800000000 ] - [ 0.0001651700000000, 0.0001237200000000, -0.0002462900000000 ] - [ 0.0000972300000000, 0.0001767000000000, -0.0001434600000000 ] - [ -0.0001769900000000, 0.0003710500000000, 0.0001778800000000 ] - [ -0.0015949600000000, 0.0025887600000000, 0.0006163700000000 ] - [ 0.0010594200000000, 0.0003145000000000, 0.0003521300000000 ] - [ -0.0006486100000000, -0.0002025100000000, -0.0007134800000000 ] - [ 0.0000876900000000, -0.0001512100000000, -0.0003174100000000 ] - [ 0.0001807500000000, -0.0010830000000000, 0.0004231400000000 ] - [ -0.0000417500000000, 0.0000009200000000, -0.0001584200000000 ] - [ 0.0002231000000000, 0.0006982700000000, -0.0003273600000000 ] - [ -0.0001124100000000, 0.0001152700000000, 0.0002444500000000 ] - [ 0.0000717700000000, 0.0004847000000000, -0.0001123400000000 ] - [ -0.0002372600000000, -0.0006747200000000, 0.0003289400000000 ] - [ -0.0000808900000000, 0.0001576000000000, 0.0000263800000000 ] - [ -0.0000388300000000, -0.0001596800000000, 0.0002415000000000 ] - [ -0.0000446000000000, 0.0001606000000000, -0.0002318800000000 ] - [ 0.0000426000000000, -0.0002108600000000, 0.0001501000000000 ] - [ -0.0003178100000000, -0.0002740500000000, -0.0003022100000000 ] - [ 0.0006727400000000, -0.0005961000000000, 0.0003819100000000 ] - [ -0.0000340100000000, 0.0000020900000000, -0.0000747200000000 ] - [ 0.0016387300000000, -0.0014297300000000, -0.0000582800000000 ] - [ 0.0000323900000000, -0.0000627200000000, 0.0005945400000000 ] - [ -0.0000596000000000, 0.0004574600000000, -0.0002993400000000 ] - [ 0.0001598400000000, 0.0002626600000000, 0.0002510000000000 ] - [ -0.0003219300000000, 0.0001864900000000, -0.0001457200000000 ] - [ 0.0000212100000000, -0.0000777000000000, -0.0001683800000000 ] - [ -0.0001534800000000, -0.0001478100000000, -0.0001345600000000 ] - [ 0.0001215600000000, 0.0001445700000000, -0.0001036200000000 ] - [ -0.0001878200000000, 0.0000801500000000, -0.0002473900000000 ] - [ 0.0022387400000000, -0.0028459900000000, 0.0008243400000000 ] - [ 0.0003032300000000, 0.0004394100000000, -0.0004839700000000 ] - [ 0.0000429100000000, -0.0001366600000000, -0.0000277900000000 ] - [ 0.0011181700000000, 0.0015647000000000, 0.0031358800000000 ] - [ -0.0002110100000000, -0.0000193500000000, -0.0003283200000000 ] - [ 0.0004757300000000, -0.0018900000000000, 0.0000040800000000 ] - [ 0.0018687900000000, -0.0002858800000000, 0.0027971000000000 ] - [ 0.0003309500000000, -0.0003559200000000, -0.0001187200000000 ] - [ 0.0001607200000000, -0.0000419600000000, -0.0002331200000000 ] - [ -0.0007118000000000, -0.0001592900000000, 0.0000998800000000 ] - [ -0.0003314000000000, 0.0010377900000000, 0.0003544300000000 ] - [ -0.0001201900000000, 0.0001170200000000, -0.0002068400000000 ] - [ 0.0015925600000000, -0.0027312700000000, 0.0036668600000000 ] - [ 0.0001630000000000, 0.0000514800000000, -0.0002075000000000 ] - [ -0.0004569400000000, 0.0004856600000000, -0.0000492300000000 ] - [ -0.0000150600000000, -0.0001118900000000, -0.0001016200000000 ] - [ 0.0000585100000000, -0.0003511200000000, -0.0001548700000000 ] - [ -0.0019117700000000, -0.0002349000000000, 0.0031393900000000 ] - [ 0.0000167300000000, -0.0000260200000000, 0.0005009300000000 ] - [ 0.0001773500000000, 0.0003012200000000, -0.0008925300000000 ] - [ 0.0003671400000000, 0.0006689900000000, -0.0002353800000000 ] - [ 0.0001761000000000, 0.0000180800000000, 0.0000260700000000 ] - [ -0.0006676300000000, 0.0015031900000000, 0.0030059200000000 ] - [ 0.0008570200000000, -0.0002843900000000, 0.0003265300000000 ] - [ -0.0000375100000000, -0.0000730000000000, -0.0000003800000000 ] - [ 0.0001407400000000, -0.0000749400000000, -0.0001807700000000 ] - [ 0.0018974700000000, -0.0033667700000000, 0.0018718000000000 ] - [ -0.0004585400000000, 0.0009369700000000, 0.0000681700000000 ] - [ -0.0005413300000000, -0.0018545500000000, 0.0023761200000000 ] - [ -0.0000609000000000, -0.0000011500000000, 0.0009854700000000 ] - [ 0.0004978500000000, -0.0008217200000000, -0.0008937400000000 ] - [ 0.0004553600000000, 0.0004734900000000, -0.0007101800000000 ] - [ -0.0000588300000000, 0.0001085600000000, -0.0001122300000000 ] - [ 0.0000505000000000, 0.0001708500000000, -0.0003168800000000 ] - [ -0.0009996100000000, 0.0000129200000000, -0.0004726600000000 ] - [ -0.0000224800000000, -0.0001098300000000, -0.0001158800000000 ] - [ 0.0002003800000000, -0.0007104400000000, -0.0003252700000000 ] - [ -0.0005208600000000, -0.0004248300000000, -0.0000436900000000 ] - [ 0.0018340900000000, -0.0031179900000000, 0.0007299700000000 ] - [ 0.0013587400000000, -0.0023025000000000, 0.0028765500000000 ] - [ 0.0001669700000000, -0.0002010200000000, 0.0001674800000000 ] - [ 0.0000119300000000, 0.0000213000000000, 0.0000264700000000 ] - [ -0.0001924600000000, -0.0000395800000000, -0.0000988600000000 ] - [ 0.0002582300000000, 0.0006876200000000, 0.0000986400000000 ] - [ -0.0009066600000000, 0.0000165100000000, -0.0001913600000000 ] - [ -0.0005809900000000, 0.0013523200000000, -0.0000138400000000 ] - [ -0.0005259900000000, 0.0000668300000000, -0.0004767200000000 ] - [ 0.0002503800000000, 0.0001150300000000, 0.0001341700000000 ] - [ 0.0000419100000000, -0.0001046800000000, 0.0000201500000000 ] - [ 0.0037419600000000, -0.0066963300000000, 0.0030124000000000 ] - [ -0.0000692800000000, -0.0000155600000000, 0.0001461200000000 ] - [ -0.0000242000000000, 0.0003388700000000, 0.0002630800000000 ] - [ 0.0002806600000000, -0.0001950000000000, 0.0000614800000000 ] - [ 0.0000314100000000, -0.0000698400000000, 0.0000124600000000 ] - [ -0.0003105100000000, 0.0004853000000000, 0.0000396000000000 ] - [ 0.0003186900000000, -0.0000645900000000, -0.0008975300000000 ] - [ 0.0000624700000000, -0.0000167000000000, 0.0000180500000000 ] - [ 0.0000332200000000, -0.0000011900000000, -0.0003114500000000 ] - [ -0.0001120000000000, 0.0001098000000000, 0.0000151900000000 ] - [ 0.0000508700000000, -0.0002533900000000, 0.0000447900000000 ] - [ -0.0000381800000000, 0.0000553000000000, -0.0003136800000000 ] - [ -0.0002754800000000, -0.0001811300000000, 0.0002612900000000 ] - [ 0.0000155000000000, -0.0000347100000000, -0.0003133500000000 ] - [ 0.0003806100000000, 0.0005491500000000, 0.0000854600000000 ] - [ 0.0000218100000000, 0.0000556500000000, 0.0001464300000000 ] - [ -0.0006665200000000, 0.0000983300000000, 0.0000834000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0029052200000000, 0.0046914300000000, -0.0229244200000000 ] - [ 0.0004867000000000, 0.0006426400000000, 0.0000177300000000 ] - [ 0.0000083000000000, 0.0000869100000000, -0.0004396800000000 ] - [ -0.0004372700000000, 0.0000466200000000, -0.0000071100000000 ] - [ -0.0001328600000000, 0.0002615700000000, -0.0000127100000000 ] - [ -0.0001542000000000, -0.0001807600000000, 0.0003556700000000 ] - [ 0.0002363800000000, -0.0000475800000000, 0.0004516300000000 ] - [ -0.0001857600000000, -0.0004822500000000, 0.0001972800000000 ] - [ -0.0007033100000000, -0.0000621800000000, -0.0001530600000000 ] - [ -0.0000942800000000, 0.0002445400000000, 0.0003812200000000 ] - [ 0.0004649700000000, -0.0006297200000000, 0.0005081500000000 ] - [ 0.0000099200000000, 0.0000582600000000, 0.0004336600000000 ] - [ -0.0001190700000000, -0.0001818100000000, 0.0000623000000000 ] - [ -0.0003769800000000, 0.0002055700000000, -0.0000484700000000 ] - [ 0.0005027200000000, -0.0001368700000000, 0.0002710200000000 ] - [ -0.0001530100000000, -0.0001749600000000, -0.0000251200000000 ] - [ 0.0002147700000000, 0.0004957900000000, -0.0000289700000000 ] - [ 0.0002338700000000, 0.0001266000000000, -0.0000162900000000 ] - [ -0.0000763100000000, -0.0000090400000000, 0.0003420300000000 ] - [ -0.0000715700000000, 0.0001771700000000, 0.0001243900000000 ] - [ 0.0002534600000000, 0.0000048700000000, 0.0003608000000000 ] - [ 0.0000254400000000, 0.0000390400000000, 0.0002864400000000 ] - [ 0.0000534100000000, -0.0001938400000000, -0.0004016000000000 ] - [ 0.0000629600000000, -0.0000031000000000, -0.0004547300000000 ] - [ 0.0000544200000000, -0.0000812500000000, 0.0005531800000000 ] - [ -0.0000777400000000, -0.0001618300000000, 0.0001531600000000 ] - [ -0.0000416100000000, 0.0001520100000000, 0.0001906400000000 ] - [ -0.0001410500000000, -0.0000578100000000, 0.0000034500000000 ] - [ 0.0001807000000000, 0.0000885200000000, -0.0023210200000000 ] - [ 0.0005242100000000, -0.0008610300000000, 0.0004099600000000 ] - [ 0.0003838000000000, 0.0000312500000000, 0.0003813500000000 ] - [ 0.0002932600000000, 0.0000189000000000, -0.0000067200000000 ] - [ -0.0018196900000000, -0.0031263800000000, 0.0031915600000000 ] - [ 0.0001317100000000, -0.0000281700000000, 0.0000048000000000 ] - [ -0.0000607600000000, 0.0001162000000000, 0.0004279000000000 ] - [ 0.0016372000000000, 0.0002583800000000, 0.0014593000000000 ] - [ -0.0002413100000000, 0.0003246400000000, 0.0004121800000000 ] - [ -0.0001060700000000, 0.0002714900000000, 0.0000542200000000 ] - [ -0.0001544700000000, -0.0003517400000000, 0.0004748100000000 ] - [ 0.0034246500000000, -0.0000405800000000, 0.0029532000000000 ] - [ 0.0002260000000000, 0.0000277600000000, 0.0000515600000000 ] - [ -0.0010281400000000, -0.0014733300000000, 0.0014578000000000 ] - [ -0.0000764700000000, -0.0001283500000000, 0.0001685400000000 ] - [ -0.0001104300000000, 0.0001804400000000, 0.0003961900000000 ] - [ 0.0000669400000000, -0.0000689200000000, 0.0002852200000000 ] - [ 0.0001983300000000, -0.0000234600000000, -0.0017248100000000 ] - [ -0.0001718600000000, 0.0001565900000000, 0.0000722000000000 ] - [ -0.0000084100000000, -0.0000533800000000, 0.0003241800000000 ] - [ -0.0002329700000000, 0.0002751200000000, 0.0006387800000000 ] - [ 0.0001528600000000, 0.0000356400000000, 0.0001813500000000 ] - [ 0.0003931000000000, 0.0005041000000000, 0.0000296300000000 ] - [ -0.0002195300000000, 0.0000351900000000, -0.0003860400000000 ] - [ -0.0008443100000000, -0.0001773700000000, 0.0000469800000000 ] - [ -0.0000686000000000, 0.0000171300000000, 0.0009544400000000 ] - [ -0.0000590000000000, -0.0004202000000000, -0.0025079800000000 ] - [ 0.0003688000000000, 0.0000519600000000, 0.0007810300000000 ] - [ -0.0001217300000000, -0.0002162500000000, 0.0003627300000000 ] - [ -0.0003007700000000, -0.0000596600000000, -0.0017252000000000 ] - [ -0.0002995100000000, -0.0002789000000000, 0.0010022800000000 ] - [ 0.0001092200000000, 0.0001025700000000, 0.0005684100000000 ] - [ 0.0001840500000000, -0.0000692600000000, 0.0001533700000000 ] - [ -0.0001991700000000, -0.0002217900000000, 0.0000628500000000 ] - [ 0.0000865400000000, 0.0004914700000000, -0.0002306900000000 ] - [ -0.0014863700000000, 0.0002274300000000, -0.0043571500000000 ] - [ 0.0006831600000000, 0.0000187900000000, -0.0006617800000000 ] - [ -0.0000163700000000, 0.0000301300000000, 0.0017209000000000 ] - [ -0.0003354500000000, 0.0000440100000000, 0.0003691900000000 ] - [ 0.0001357900000000, 0.0002745100000000, 0.0014494300000000 ] - [ 0.0002029900000000, -0.0003595000000000, 0.0010486800000000 ] - [ -0.0004601900000000, -0.0009516300000000, 0.0004302500000000 ] - [ -0.0000009000000000, -0.0000429600000000, 0.0006747900000000 ] - [ 0.0006522800000000, 0.0005707400000000, 0.0007355200000000 ] - [ -0.0002626800000000, 0.0000151900000000, 0.0002387300000000 ] - [ -0.0002983100000000, -0.0000219600000000, 0.0008650300000000 ] - [ -0.0000071200000000, -0.0000263400000000, 0.0010051300000000 ] - [ -0.0004353100000000, -0.0004839600000000, 0.0007538600000000 ] - [ 0.0000657800000000, -0.0002253300000000, -0.0021823500000000 ] - [ 0.0005668900000000, 0.0015518300000000, -0.0044527000000000 ] - [ 0.0001676900000000, -0.0002438500000000, 0.0008653900000000 ] - [ -0.0002634900000000, -0.0006324700000000, -0.0006613200000000 ] - [ 0.0010821500000000, -0.0000962500000000, -0.0014228800000000 ] - [ -0.0045037700000000, 0.0076039900000000, 0.0042350900000000 ] - [ 0.0001016300000000, 0.0002401200000000, 0.0009718200000000 ] - [ -0.0020083700000000, 0.0034923400000000, 0.0089334000000000 ] - [ 0.0003000100000000, -0.0000128900000000, 0.0002797300000000 ] - [ 0.0003754000000000, -0.0006348900000000, 0.0026943500000000 ] - [ -0.0001158800000000, -0.0001942900000000, 0.0006450200000000 ] - [ -0.0000115000000000, -0.0001882700000000, -0.0001301000000000 ] - [ -0.0001873900000000, -0.0000056700000000, 0.0004029000000000 ] - [ 0.0004985500000000, 0.0000117000000000, 0.0010308000000000 ] - [ -0.0002410400000000, 0.0000457100000000, 0.0013419700000000 ] - [ 0.0001986500000000, 0.0003069900000000, -0.0008507400000000 ] - [ 0.0001859900000000, 0.0003101700000000, -0.0005558400000000 ] - [ -0.0002567900000000, 0.0000088800000000, -0.0003946000000000 ] - [ 0.0001910500000000, 0.0001623100000000, -0.0005793800000000 ] - [ -0.0000847200000000, -0.0001774400000000, -0.0007037900000000 ] - [ 0.0000686100000000, -0.0000508600000000, -0.0000008200000000 ] - [ -0.0005157500000000, 0.0007138000000000, 0.0012585000000000 ] - [ 0.0008054200000000, 0.0001569500000000, 0.0006000500000000 ] - [ -0.0010476600000000, 0.0001541500000000, -0.0011273700000000 ] - [ 0.0001373600000000, -0.0002101400000000, -0.0006698400000000 ] - [ 0.0006090100000000, -0.0000984400000000, 0.0028486700000000 ] - [ -0.0003674600000000, 0.0000044600000000, -0.0008505800000000 ] - [ 0.0006636500000000, 0.0007987400000000, -0.0008024100000000 ] - [ -0.0001227200000000, -0.0000906200000000, -0.0001249100000000 ] - [ 0.0002216100000000, 0.0002313800000000, -0.0003514500000000 ] - [ -0.0000790900000000, -0.0003777600000000, 0.0009670400000000 ] - [ -0.0000092800000000, 0.0000163000000000, -0.0003337500000000 ] - [ -0.0000505800000000, -0.0001599800000000, -0.0012366000000000 ] - [ 0.0000293300000000, 0.0002345200000000, -0.0005842300000000 ] - [ 0.0003752200000000, 0.0002643400000000, -0.0003507300000000 ] - [ -0.0003380400000000, -0.0000680500000000, -0.0000312600000000 ] - [ -0.0003634800000000, -0.0004752400000000, 0.0027977400000000 ] - [ -0.0000206400000000, 0.0000153100000000, -0.0005979700000000 ] - [ -0.0005065300000000, -0.0000183200000000, 0.0013984300000000 ] - [ -0.0000341700000000, 0.0000563800000000, -0.0001584400000000 ] - [ 0.0000628500000000, 0.0003027600000000, -0.0000414900000000 ] - [ -0.0000118800000000, -0.0000410100000000, -0.0001344800000000 ] - [ -0.0001304600000000, -0.0000838100000000, -0.0003850300000000 ] - [ 0.0001974200000000, -0.0003615100000000, -0.0008489200000000 ] - [ -0.0000245700000000, 0.0001530600000000, -0.0005066700000000 ] - [ 0.0003656100000000, 0.0005342400000000, -0.0004985400000000 ] - [ -0.0002330600000000, 0.0000911900000000, -0.0005805200000000 ] - [ 0.0005676400000000, -0.0007102700000000, 0.0036651300000000 ] - [ 0.0002023100000000, 0.0002322100000000, 0.0004178900000000 ] - [ 0.0001249000000000, -0.0002267400000000, -0.0003985100000000 ] - [ -0.0004553400000000, -0.0024445400000000, -0.0007200000000000 ] - [ -0.0002576800000000, -0.0000087100000000, -0.0006624000000000 ] - [ 0.0003091000000000, 0.0004988700000000, 0.0014001800000000 ] - [ -0.0007216800000000, -0.0007280000000000, -0.0016368400000000 ] - [ 0.0000706800000000, -0.0004529700000000, -0.0004667200000000 ] - [ 0.0001949400000000, -0.0001369800000000, -0.0005892300000000 ] - [ -0.0003487800000000, -0.0001085500000000, 0.0003980500000000 ] - [ -0.0003088800000000, 0.0008598300000000, 0.0006261800000000 ] - [ -0.0001035100000000, 0.0001305000000000, -0.0007704300000000 ] - [ 0.0004291900000000, -0.0007200400000000, 0.0023655300000000 ] - [ 0.0001624100000000, 0.0000332100000000, -0.0007704900000000 ] - [ -0.0002557300000000, 0.0001629400000000, 0.0003709500000000 ] - [ -0.0003128700000000, -0.0000964800000000, -0.0007354600000000 ] - [ 0.0002619500000000, -0.0001243900000000, -0.0004974700000000 ] - [ 0.0023628500000000, -0.0007682000000000, -0.0007209800000000 ] - [ 0.0000401700000000, -0.0000652100000000, -0.0011662100000000 ] - [ 0.0000897200000000, 0.0001993100000000, -0.0005363300000000 ] - [ 0.0000567600000000, 0.0003827000000000, 0.0003611500000000 ] - [ -0.0000003200000000, 0.0000053300000000, -0.0003440300000000 ] - [ 0.0013862400000000, -0.0021747200000000, -0.0016746500000000 ] - [ 0.0005198100000000, -0.0002468900000000, 0.0009715100000000 ] - [ 0.0000021600000000, 0.0000338400000000, -0.0003684800000000 ] - [ -0.0002339700000000, -0.0000769800000000, -0.0005555400000000 ] - [ -0.0003559200000000, 0.0005228000000000, 0.0010133100000000 ] - [ 0.0000079900000000, 0.0001397600000000, 0.0014964300000000 ] - [ 0.0011196000000000, 0.0002312900000000, -0.0020940200000000 ] - [ 0.0000536200000000, -0.0000102100000000, 0.0001940100000000 ] - [ 0.0003755500000000, -0.0006107500000000, -0.0009572200000000 ] - [ 0.0003448200000000, 0.0010136200000000, -0.0011309100000000 ] - [ 0.0001164900000000, -0.0001971300000000, -0.0003802800000000 ] - [ 0.0001268200000000, 0.0002501100000000, -0.0006658400000000 ] - [ -0.0007843900000000, 0.0000052400000000, -0.0006716300000000 ] - [ 0.0000878400000000, -0.0003306000000000, -0.0007236600000000 ] - [ 0.0006571100000000, -0.0008575600000000, -0.0008226600000000 ] - [ -0.0002080700000000, -0.0000849100000000, 0.0003851300000000 ] - [ 0.0006911600000000, -0.0006546100000000, 0.0036522900000000 ] - [ 0.0018365600000000, -0.0031141400000000, -0.0026285700000000 ] - [ -0.0004079200000000, -0.0002520200000000, -0.0003308500000000 ] - [ -0.0000041200000000, -0.0000014800000000, -0.0007156600000000 ] - [ -0.0006567600000000, -0.0000504200000000, -0.0004923100000000 ] - [ 0.0000290200000000, 0.0003889300000000, 0.0003984100000000 ] - [ -0.0009240800000000, 0.0001371200000000, 0.0003179500000000 ] - [ -0.0003409000000000, -0.0003486200000000, 0.0010083700000000 ] - [ -0.0002990100000000, 0.0000523300000000, 0.0004178800000000 ] - [ 0.0000912200000000, 0.0002230200000000, 0.0004114900000000 ] - [ -0.0000566000000000, -0.0000804800000000, -0.0003699700000000 ] - [ 0.0013645800000000, -0.0026223700000000, 0.0065002800000000 ] - [ 0.0000441200000000, -0.0000264600000000, -0.0002498900000000 ] - [ -0.0003401800000000, -0.0002372400000000, 0.0000914500000000 ] - [ -0.0004407100000000, -0.0001735400000000, -0.0001944400000000 ] - [ -0.0000486800000000, 0.0000622100000000, -0.0004352100000000 ] - [ 0.0000519000000000, -0.0001442100000000, -0.0001441200000000 ] - [ -0.0001883300000000, 0.0008093400000000, -0.0008455000000000 ] - [ 0.0000943000000000, 0.0000830800000000, -0.0003738900000000 ] - [ -0.0000069100000000, 0.0000158000000000, -0.0007313900000000 ] - [ -0.0000433100000000, -0.0000061400000000, -0.0003500700000000 ] - [ 0.0003497500000000, 0.0003159200000000, -0.0001774500000000 ] - [ 0.0000087300000000, -0.0000178200000000, -0.0007132500000000 ] - [ 0.0003785500000000, -0.0002236300000000, 0.0000917700000000 ] - [ 0.0000051300000000, 0.0000124900000000, -0.0007375000000000 ] - [ 0.0000688700000000, -0.0002089000000000, 0.0006326900000000 ] - [ -0.0000170800000000, -0.0000504700000000, -0.0002477600000000 ] - [ 0.0001489000000000, 0.0000640100000000, 0.0006310600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0030830200000000, -0.0044849000000000, 0.0234004600000000 ] - [ -0.0005983800000000, -0.0004118900000000, 0.0003192800000000 ] - [ -0.0000578100000000, 0.0000170200000000, 0.0007160800000000 ] - [ 0.0004527600000000, -0.0003232800000000, 0.0002596300000000 ] - [ -0.0001148100000000, 0.0001814900000000, -0.0004300400000000 ] - [ -0.0000663900000000, -0.0002036400000000, -0.0003637700000000 ] - [ 0.0002163100000000, 0.0000527600000000, -0.0004639400000000 ] - [ -0.0000724400000000, 0.0000366700000000, -0.0006373800000000 ] - [ 0.0005765900000000, 0.0003103400000000, 0.0002679100000000 ] - [ -0.0001405700000000, 0.0001442100000000, -0.0003938000000000 ] - [ -0.0004521600000000, 0.0009215200000000, -0.0002607800000000 ] - [ -0.0001476500000000, -0.0004946500000000, -0.0006834400000000 ] - [ -0.0000811600000000, -0.0002263000000000, -0.0006531900000000 ] - [ 0.0004082300000000, -0.0003633700000000, 0.0005532300000000 ] - [ -0.0000759000000000, 0.0000303100000000, -0.0005278200000000 ] - [ 0.0000337600000000, -0.0000318700000000, 0.0003664000000000 ] - [ 0.0000400300000000, -0.0004793700000000, 0.0003669400000000 ] - [ 0.0000123400000000, 0.0000305900000000, 0.0002620000000000 ] - [ 0.0000466900000000, 0.0003020000000000, -0.0002276000000000 ] - [ -0.0001241700000000, 0.0002539700000000, -0.0007159100000000 ] - [ 0.0002007200000000, -0.0000132000000000, -0.0003732300000000 ] - [ 0.0002430900000000, 0.0000821000000000, -0.0001719400000000 ] - [ 0.0000011400000000, -0.0002380100000000, 0.0008259900000000 ] - [ 0.0000512600000000, 0.0000104000000000, 0.0007306800000000 ] - [ 0.0002247600000000, 0.0000888300000000, 0.0000315200000000 ] - [ -0.0001754100000000, -0.0002153900000000, -0.0007440100000000 ] - [ -0.0000679700000000, 0.0000553300000000, -0.0005239000000000 ] - [ -0.0000104300000000, 0.0000048500000000, 0.0005024500000000 ] - [ 0.0001730300000000, 0.0001545100000000, 0.0027447100000000 ] - [ -0.0005082100000000, 0.0010192400000000, 0.0000933200000000 ] - [ 0.0003640300000000, -0.0000434000000000, -0.0003402400000000 ] - [ 0.0002142700000000, -0.0000119800000000, -0.0004359200000000 ] - [ 0.0019657400000000, 0.0032585300000000, -0.0027152800000000 ] - [ -0.0000001400000000, -0.0000789700000000, 0.0004966500000000 ] - [ 0.0004963200000000, -0.0000125400000000, -0.0006863800000000 ] - [ -0.0018699400000000, -0.0003846600000000, -0.0011967400000000 ] - [ -0.0001424700000000, 0.0003170200000000, -0.0003711000000000 ] - [ -0.0000206200000000, 0.0001560500000000, -0.0003109900000000 ] - [ -0.0002230900000000, -0.0003014700000000, -0.0004377200000000 ] - [ -0.0035982500000000, -0.0001850000000000, -0.0028599000000000 ] - [ 0.0002456600000000, 0.0000182700000000, -0.0006431900000000 ] - [ 0.0012567100000000, 0.0012764600000000, -0.0011995400000000 ] - [ -0.0000351200000000, -0.0000647800000000, -0.0005096500000000 ] - [ -0.0001118300000000, 0.0002142100000000, -0.0004080000000000 ] - [ -0.0000982900000000, -0.0002326100000000, -0.0001808300000000 ] - [ 0.0001351400000000, -0.0002202200000000, 0.0021499000000000 ] - [ -0.0001169100000000, 0.0002106400000000, -0.0006619600000000 ] - [ -0.0002368400000000, -0.0001247300000000, -0.0002190000000000 ] - [ -0.0000009700000000, -0.0000996500000000, -0.0005252900000000 ] - [ 0.0000817500000000, -0.0000268000000000, -0.0005150300000000 ] - [ -0.0005540100000000, -0.0004456500000000, 0.0004717200000000 ] - [ -0.0001675100000000, 0.0001322600000000, 0.0008111200000000 ] - [ 0.0005653200000000, 0.0002879300000000, 0.0002003800000000 ] - [ -0.0002391900000000, 0.0003005700000000, -0.0012161500000000 ] - [ -0.0000042300000000, 0.0002851200000000, 0.0027767400000000 ] - [ -0.0000993200000000, -0.0001664800000000, -0.0006662500000000 ] - [ -0.0001005600000000, -0.0001670900000000, -0.0003708500000000 ] - [ -0.0001032100000000, -0.0001010400000000, 0.0021490600000000 ] - [ 0.0001585000000000, 0.0000356900000000, -0.0004166200000000 ] - [ -0.0002416300000000, 0.0001429200000000, 0.0000160700000000 ] - [ 0.0002779400000000, 0.0000029000000000, -0.0007432000000000 ] - [ -0.0001085700000000, -0.0001142500000000, -0.0003114700000000 ] - [ 0.0001923000000000, -0.0004812300000000, 0.0003432900000000 ] - [ 0.0014892300000000, -0.0003247000000000, 0.0049144900000000 ] - [ -0.0007509000000000, 0.0000935700000000, 0.0008932100000000 ] - [ 0.0000233200000000, -0.0000354800000000, -0.0015616300000000 ] - [ 0.0003346800000000, -0.0000436400000000, -0.0013584800000000 ] - [ 0.0001447700000000, 0.0002131300000000, -0.0015502500000000 ] - [ -0.0002019900000000, 0.0003561500000000, -0.0020371400000000 ] - [ 0.0004618600000000, 0.0009526000000000, 0.0004717100000000 ] - [ 0.0000007900000000, 0.0000434600000000, -0.0013522700000000 ] - [ -0.0004191900000000, -0.0001641900000000, -0.0012023400000000 ] - [ -0.0002024200000000, -0.0000158700000000, -0.0007094700000000 ] - [ -0.0002679100000000, 0.0000218400000000, -0.0009677200000000 ] - [ -0.0000011200000000, 0.0000303400000000, -0.0008416000000000 ] - [ 0.0006706900000000, 0.0000831800000000, -0.0012280900000000 ] - [ -0.0001669800000000, 0.0002204500000000, 0.0027672700000000 ] - [ -0.0004792200000000, -0.0014164800000000, 0.0050150900000000 ] - [ 0.0001155200000000, -0.0002465300000000, -0.0009686500000000 ] - [ 0.0003960300000000, 0.0006293300000000, 0.0008923500000000 ] - [ -0.0010671400000000, 0.0000864400000000, 0.0008351100000000 ] - [ 0.0045518400000000, -0.0077021900000000, -0.0047767100000000 ] - [ -0.0001010300000000, -0.0002374800000000, -0.0002713900000000 ] - [ 0.0019010800000000, -0.0035404600000000, -0.0087009300000000 ] - [ -0.0003010500000000, 0.0000094000000000, -0.0005180200000000 ] - [ -0.0003228900000000, 0.0005387800000000, -0.0028520800000000 ] - [ 0.0001174100000000, 0.0001984800000000, -0.0003159400000000 ] - [ 0.0001293800000000, -0.0000133200000000, 0.0003841600000000 ] - [ 0.0006141000000000, 0.0001850000000000, 0.0001462900000000 ] - [ 0.0001284700000000, -0.0000153100000000, -0.0006062300000000 ] - [ 0.0002396900000000, -0.0000459900000000, -0.0002812900000000 ] - [ -0.0000016100000000, -0.0000323600000000, 0.0002013700000000 ] - [ -0.0000294400000000, -0.0000392400000000, 0.0004617200000000 ] - [ -0.0000469100000000, -0.0000010500000000, 0.0003020300000000 ] - [ 0.0000761600000000, -0.0000128100000000, 0.0000812400000000 ] - [ 0.0000830000000000, 0.0001738900000000, -0.0001159900000000 ] - [ 0.0000137700000000, 0.0000469600000000, 0.0004496600000000 ] - [ 0.0000114600000000, -0.0003189100000000, -0.0008819900000000 ] - [ 0.0003020400000000, -0.0001517900000000, 0.0002014400000000 ] - [ -0.0006162800000000, -0.0002054900000000, 0.0001570100000000 ] - [ 0.0000650000000000, -0.0000668000000000, 0.0000187600000000 ] - [ -0.0006998900000000, -0.0000625600000000, -0.0030337500000000 ] - [ 0.0000274800000000, 0.0000324200000000, 0.0002005800000000 ] - [ 0.0002065800000000, 0.0006105800000000, -0.0001675800000000 ] - [ -0.0001098800000000, 0.0000920200000000, 0.0003789500000000 ] - [ 0.0000492200000000, 0.0002147800000000, 0.0001033900000000 ] - [ 0.0006296100000000, 0.0006096800000000, -0.0005889400000000 ] - [ -0.0001152700000000, 0.0001989600000000, 0.0003390900000000 ] - [ -0.0000825800000000, -0.0000713200000000, 0.0008602000000000 ] - [ -0.0000333800000000, 0.0000719800000000, 0.0000860100000000 ] - [ -0.0004229700000000, -0.0001964500000000, 0.0008009000000000 ] - [ 0.0005669400000000, -0.0003215300000000, -0.0003042000000000 ] - [ 0.0002697300000000, 0.0006215000000000, -0.0029828900000000 ] - [ 0.0000228400000000, -0.0000126600000000, 0.0005671100000000 ] - [ 0.0004295600000000, 0.0006158900000000, -0.0010221100000000 ] - [ 0.0000309500000000, -0.0000598000000000, 0.0017878400000000 ] - [ -0.0005157500000000, -0.0002988800000000, -0.0002941600000000 ] - [ 0.0001276700000000, 0.0002414200000000, 0.0003874100000000 ] - [ -0.0000835000000000, 0.0000755400000000, 0.0000486700000000 ] - [ -0.0000631300000000, 0.0000590200000000, 0.0002022200000000 ] - [ -0.0005007900000000, -0.0001473000000000, 0.0002599600000000 ] - [ -0.0001163200000000, -0.0000784700000000, 0.0002514100000000 ] - [ -0.0000251800000000, 0.0000737000000000, 0.0000803300000000 ] - [ -0.0008771200000000, 0.0001578900000000, -0.0032214400000000 ] - [ -0.0000708300000000, -0.0002260400000000, -0.0009212800000000 ] - [ 0.0000336800000000, -0.0000326800000000, 0.0003058100000000 ] - [ 0.0003708500000000, 0.0023116600000000, 0.0010215300000000 ] - [ -0.0000725000000000, -0.0000263600000000, 0.0000148100000000 ] - [ -0.0006156700000000, 0.0000390800000000, -0.0009746300000000 ] - [ 0.0003574700000000, 0.0009922800000000, 0.0021818400000000 ] - [ 0.0001873900000000, -0.0000245000000000, 0.0002174200000000 ] - [ 0.0000766700000000, -0.0000037600000000, 0.0000888300000000 ] - [ -0.0000065500000000, -0.0001622600000000, 0.0001493200000000 ] - [ -0.0002413000000000, 0.0001020000000000, 0.0001759000000000 ] - [ -0.0000271900000000, 0.0001101100000000, 0.0003998000000000 ] - [ -0.0003889800000000, 0.0006499600000000, -0.0013801300000000 ] - [ 0.0001112900000000, -0.0000260200000000, 0.0003993900000000 ] - [ 0.0001683900000000, -0.0000058900000000, -0.0000613900000000 ] - [ 0.0000532600000000, -0.0000603800000000, 0.0002373200000000 ] - [ -0.0001632500000000, -0.0000650700000000, 0.0001616700000000 ] - [ -0.0021937300000000, 0.0007827800000000, 0.0010186100000000 ] - [ -0.0000392100000000, 0.0000691200000000, 0.0011386500000000 ] - [ -0.0000878800000000, -0.0001960900000000, -0.0003437400000000 ] - [ -0.0006085500000000, -0.0013392900000000, 0.0004398500000000 ] - [ 0.0002491800000000, -0.0000057600000000, 0.0003494500000000 ] - [ -0.0009571900000000, 0.0019849900000000, 0.0022382700000000 ] - [ -0.0005801600000000, -0.0003671700000000, -0.0005937500000000 ] - [ -0.0001251200000000, -0.0002473900000000, 0.0003738300000000 ] - [ 0.0003385600000000, 0.0002557600000000, 0.0002205700000000 ] - [ 0.0002194500000000, -0.0004936600000000, -0.0013642200000000 ] - [ 0.0001666100000000, -0.0001464400000000, -0.0016957200000000 ] - [ -0.0008866200000000, 0.0001474000000000, 0.0017517500000000 ] - [ -0.0000553400000000, 0.0000053600000000, 0.0014356800000000 ] - [ 0.0004897200000000, -0.0008045300000000, -0.0000115300000000 ] - [ 0.0004409400000000, 0.0004464200000000, 0.0001595800000000 ] - [ 0.0001516600000000, -0.0002535600000000, 0.0001326800000000 ] - [ 0.0000126000000000, 0.0000579800000000, 0.0000155500000000 ] - [ -0.0008750700000000, 0.0000362300000000, -0.0002975500000000 ] - [ -0.0000932900000000, 0.0000267900000000, 0.0002252300000000 ] - [ 0.0001297300000000, -0.0006093200000000, -0.0001467300000000 ] - [ 0.0001195000000000, -0.0000573700000000, -0.0000716200000000 ] - [ -0.0000933000000000, 0.0004110800000000, -0.0032634400000000 ] - [ -0.0019490300000000, 0.0032984100000000, 0.0029663900000000 ] - [ 0.0003660900000000, 0.0001766200000000, 0.0007818300000000 ] - [ 0.0000011200000000, -0.0000038600000000, 0.0006335100000000 ] - [ 0.0001154400000000, 0.0000346400000000, 0.0002433200000000 ] - [ -0.0000875700000000, 0.0000704800000000, 0.0001514300000000 ] - [ 0.0010846100000000, -0.0001425300000000, -0.0000037000000000 ] - [ -0.0001604000000000, -0.0000263100000000, -0.0006329800000000 ] - [ 0.0002384200000000, 0.0000638500000000, -0.0009209300000000 ] - [ -0.0001485900000000, -0.0006648100000000, 0.0001358300000000 ] - [ 0.0000989400000000, -0.0000061200000000, 0.0003209900000000 ] - [ -0.0016245800000000, 0.0026528500000000, -0.0064692800000000 ] - [ -0.0000474200000000, 0.0000088700000000, 0.0004072800000000 ] - [ -0.0001173900000000, 0.0002437500000000, 0.0002434000000000 ] - [ 0.0004654000000000, 0.0001247300000000, 0.0002269800000000 ] - [ 0.0000463800000000, -0.0000675800000000, 0.0005919800000000 ] - [ -0.0001069000000000, 0.0001430900000000, 0.0001772300000000 ] - [ 0.0004249500000000, -0.0004110400000000, 0.0011810700000000 ] - [ -0.0000513500000000, -0.0000087700000000, 0.0003190800000000 ] - [ 0.0000244800000000, 0.0000145300000000, 0.0000264000000000 ] - [ -0.0000527200000000, 0.0000000200000000, 0.0003013000000000 ] - [ -0.0003219600000000, -0.0002689000000000, 0.0002082400000000 ] - [ -0.0000238000000000, 0.0000252600000000, 0.0000036000000000 ] - [ -0.0001454300000000, -0.0001703100000000, 0.0002431100000000 ] - [ 0.0000084500000000, -0.0000219200000000, 0.0000280900000000 ] - [ 0.0001712300000000, 0.0002118200000000, -0.0004377000000000 ] - [ 0.0000032200000000, 0.0000390700000000, 0.0004050200000000 ] - [ -0.0002670500000000, 0.0001431300000000, -0.0004362700000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003794900000000, 0.0006618900000000, 0.0007560000000000 ] - [ -0.0289467200000000, 0.0033039700000000, -0.0033184500000000 ] - [ 0.0003151300000000, -0.0004792100000000, 0.0004439600000000 ] - [ 0.0015250300000000, -0.0005726800000000, 0.0001574400000000 ] - [ -0.0001087700000000, 0.0001887600000000, -0.0002206400000000 ] - [ -0.0000858100000000, -0.0002149600000000, -0.0000301800000000 ] - [ 0.0001707300000000, 0.0000249800000000, -0.0000753400000000 ] - [ -0.0001389500000000, -0.0001979400000000, -0.0002189900000000 ] - [ -0.0000251500000000, -0.0000044900000000, -0.0001478000000000 ] - [ -0.0001579200000000, 0.0002188100000000, 0.0000172200000000 ] - [ 0.0006874500000000, 0.0003606500000000, 0.0001003800000000 ] - [ -0.0000655700000000, -0.0002033600000000, -0.0001537700000000 ] - [ 0.0000931800000000, -0.0001911200000000, -0.0002722400000000 ] - [ 0.0000710600000000, -0.0001644000000000, 0.0002921000000000 ] - [ 0.0002507800000000, -0.0000507200000000, -0.0001483800000000 ] - [ -0.0014159400000000, -0.0001464100000000, 0.0000646900000000 ] - [ 0.0023282600000000, -0.0019992400000000, 0.0002373500000000 ] - [ 0.0043380200000000, -0.0037993500000000, 0.0004202600000000 ] - [ -0.0004865000000000, 0.0006191800000000, 0.0006589100000000 ] - [ 0.0000030600000000, 0.0002136600000000, -0.0002882100000000 ] - [ 0.0002307200000000, -0.0000349700000000, -0.0000287100000000 ] - [ 0.0001652800000000, -0.0002930100000000, 0.0000725400000000 ] - [ 0.0002825300000000, -0.0005144000000000, 0.0001201200000000 ] - [ -0.0010616000000000, 0.0007513100000000, -0.0007644900000000 ] - [ 0.0007968200000000, 0.0000919500000000, 0.0008055600000000 ] - [ -0.0002374000000000, -0.0001863500000000, -0.0002485300000000 ] - [ -0.0003350800000000, 0.0002346600000000, -0.0002971200000000 ] - [ -0.0001245800000000, 0.0000734600000000, -0.0000486700000000 ] - [ 0.0008410800000000, 0.0001798400000000, 0.0005914600000000 ] - [ 0.0000936700000000, 0.0000872900000000, 0.0003782700000000 ] - [ 0.0004225300000000, -0.0000010300000000, 0.0000486600000000 ] - [ 0.0001986400000000, 0.0000244000000000, -0.0002385600000000 ] - [ -0.0001362000000000, 0.0001123400000000, 0.0002002500000000 ] - [ 0.0001048900000000, -0.0001481100000000, 0.0002819900000000 ] - [ 0.0002247900000000, 0.0000283200000000, -0.0001565200000000 ] - [ -0.0023031000000000, -0.0001321100000000, 0.0001556100000000 ] - [ -0.0001963700000000, 0.0003002200000000, 0.0000101900000000 ] - [ -0.0000453700000000, 0.0002226600000000, -0.0001718900000000 ] - [ -0.0001708300000000, -0.0003002600000000, -0.0000384800000000 ] - [ -0.0000434900000000, -0.0000750500000000, 0.0001414600000000 ] - [ 0.0002324400000000, -0.0000487200000000, -0.0001076000000000 ] - [ 0.0000993200000000, 0.0012194400000000, 0.0001288100000000 ] - [ -0.0001920900000000, -0.0001808200000000, -0.0003722400000000 ] - [ -0.0000677300000000, 0.0001886100000000, -0.0000762400000000 ] - [ 0.0004251900000000, -0.0002442900000000, 0.0035237800000000 ] - [ 0.0001795200000000, -0.0004608200000000, 0.0001986700000000 ] - [ -0.0000432800000000, 0.0001275600000000, -0.0002856700000000 ] - [ 0.0002077700000000, -0.0003819500000000, 0.0000085000000000 ] - [ 0.0006963400000000, -0.0000790100000000, -0.0006344300000000 ] - [ 0.0002598700000000, -0.0000639500000000, -0.0004301600000000 ] - [ -0.0001869400000000, 0.0001117000000000, 0.0001913900000000 ] - [ 0.0004943300000000, -0.0000935100000000, -0.0005161600000000 ] - [ 0.0004796800000000, 0.0001491600000000, 0.0001826600000000 ] - [ -0.0001809900000000, 0.0001739900000000, -0.0001488400000000 ] - [ 0.0001673300000000, 0.0000793500000000, 0.0018523600000000 ] - [ -0.0013604300000000, 0.0010530100000000, -0.0015911600000000 ] - [ -0.0001506700000000, -0.0001883300000000, 0.0000270000000000 ] - [ 0.0000579700000000, 0.0003907500000000, -0.0002528300000000 ] - [ 0.0002098000000000, 0.0002710400000000, -0.0001282400000000 ] - [ 0.0000278000000000, -0.0005336100000000, 0.0007678300000000 ] - [ 0.0001867100000000, 0.0000933900000000, -0.0003012900000000 ] - [ -0.0001407200000000, -0.0001978600000000, -0.0001591800000000 ] - [ 0.0002635500000000, 0.0000296000000000, -0.0000238800000000 ] - [ -0.0020160400000000, -0.0009679600000000, -0.0051757600000000 ] - [ 0.0007350100000000, -0.0017529600000000, -0.0000022900000000 ] - [ -0.0000151700000000, 0.0000316000000000, 0.0000318100000000 ] - [ 0.0020537300000000, -0.0003810900000000, 0.0000132800000000 ] - [ 0.0001312300000000, 0.0003708700000000, -0.0011601100000000 ] - [ -0.0001167100000000, 0.0005113300000000, -0.0004329200000000 ] - [ -0.0003691300000000, 0.0000314000000000, 0.0007626900000000 ] - [ -0.0001033800000000, -0.0000283300000000, -0.0006564300000000 ] - [ 0.0001001500000000, 0.0002136700000000, -0.0002350600000000 ] - [ -0.0001346300000000, -0.0000175500000000, -0.0002241100000000 ] - [ -0.0004333000000000, 0.0001820900000000, 0.0011152700000000 ] - [ 0.0001092700000000, -0.0000351600000000, 0.0000556400000000 ] - [ 0.0000409200000000, -0.0002004800000000, -0.0005071900000000 ] - [ 0.0012616200000000, -0.0004730800000000, 0.0006556700000000 ] - [ -0.0002434300000000, 0.0005545500000000, 0.0003526300000000 ] - [ 0.0002716600000000, -0.0005645200000000, -0.0000399100000000 ] - [ 0.0083747800000000, 0.0113798900000000, -0.0027152300000000 ] - [ 0.0003181200000000, -0.0001024400000000, -0.0005896300000000 ] - [ -0.0000755500000000, 0.0000748200000000, -0.0004066100000000 ] - [ -0.0012354400000000, -0.0006809600000000, -0.0062243500000000 ] - [ 0.0107190900000000, 0.0042420500000000, 0.0022254000000000 ] - [ -0.0009641500000000, 0.0003676500000000, 0.0000051300000000 ] - [ 0.0000900400000000, -0.0004893700000000, -0.0001626600000000 ] - [ 0.0022491600000000, -0.0004442700000000, 0.0008889100000000 ] - [ 0.0016451000000000, -0.0007867400000000, 0.0014763400000000 ] - [ 0.0000874300000000, 0.0009803900000000, 0.0001559900000000 ] - [ -0.0005593100000000, 0.0000319900000000, 0.0001377800000000 ] - [ -0.0001988900000000, 0.0000538500000000, 0.0007414000000000 ] - [ 0.0001104200000000, 0.0001126300000000, -0.0002998200000000 ] - [ -0.0000458800000000, -0.0000893300000000, 0.0002600600000000 ] - [ -0.0003375200000000, -0.0000251400000000, -0.0003315200000000 ] - [ 0.0002694200000000, 0.0001126100000000, -0.0005260600000000 ] - [ 0.0025692200000000, -0.0004093400000000, 0.0011337800000000 ] - [ -0.0000099400000000, 0.0000065900000000, 0.0002063300000000 ] - [ -0.0008193300000000, 0.0006192600000000, 0.0000436300000000 ] - [ 0.0008224500000000, -0.0000702800000000, 0.0003566300000000 ] - [ -0.0007309800000000, -0.0003891200000000, -0.0004981700000000 ] - [ 0.0000490100000000, -0.0000955300000000, -0.0003024000000000 ] - [ 0.0000625000000000, -0.0003337300000000, -0.0001052000000000 ] - [ -0.0001482000000000, -0.0000123400000000, -0.0003077700000000 ] - [ -0.0003500400000000, 0.0007049900000000, -0.0005265000000000 ] - [ -0.0005170200000000, 0.0001156500000000, 0.0013655100000000 ] - [ 0.0001070300000000, 0.0002274700000000, -0.0001165200000000 ] - [ 0.0003870400000000, 0.0002446000000000, 0.0001506700000000 ] - [ -0.0000696600000000, 0.0001519900000000, 0.0000791500000000 ] - [ -0.0001739100000000, -0.0002576300000000, 0.0006754900000000 ] - [ -0.0000212500000000, 0.0003079300000000, -0.0002400000000000 ] - [ 0.0000245500000000, 0.0000311600000000, 0.0004407100000000 ] - [ -0.0003691300000000, 0.0010926900000000, 0.0000345600000000 ] - [ 0.0028051900000000, -0.0004456400000000, 0.0010123600000000 ] - [ -0.0000265500000000, 0.0000086600000000, 0.0000141200000000 ] - [ 0.0003276600000000, -0.0000689900000000, 0.0001998100000000 ] - [ 0.0000266900000000, -0.0000666500000000, 0.0007316600000000 ] - [ -0.0042867300000000, -0.0019094900000000, -0.0005208500000000 ] - [ 0.0011411000000000, 0.0013125800000000, 0.0018708800000000 ] - [ -0.0001721100000000, -0.0000056000000000, -0.0001724600000000 ] - [ 0.0000570100000000, -0.0001669400000000, -0.0003219000000000 ] - [ -0.0001650100000000, -0.0000064800000000, -0.0000410800000000 ] - [ 0.0001350500000000, 0.0001995800000000, -0.0000551900000000 ] - [ -0.0002127100000000, 0.0001800000000000, -0.0002394700000000 ] - [ -0.0002776100000000, -0.0005951000000000, 0.0001190600000000 ] - [ -0.0014126800000000, -0.0021994300000000, 0.0021993000000000 ] - [ 0.0000084600000000, 0.0000469500000000, -0.0000379500000000 ] - [ -0.0000417800000000, -0.0001098100000000, 0.0002071700000000 ] - [ -0.0002175300000000, 0.0000019800000000, -0.0003489800000000 ] - [ -0.0004495500000000, 0.0011477100000000, 0.0015764500000000 ] - [ 0.0013016300000000, 0.0013862200000000, -0.0010199900000000 ] - [ 0.0001492200000000, -0.0002518100000000, -0.0001188700000000 ] - [ 0.0003500700000000, -0.0003258500000000, -0.0005176800000000 ] - [ -0.0006075200000000, 0.0003560000000000, 0.0001944200000000 ] - [ -0.0001977800000000, 0.0004486700000000, 0.0001904400000000 ] - [ -0.0001428300000000, 0.0003215900000000, -0.0002125300000000 ] - [ 0.0000456500000000, -0.0000201300000000, 0.0005946900000000 ] - [ 0.0001354600000000, -0.0001871600000000, -0.0011291500000000 ] - [ -0.0001526600000000, 0.0001302300000000, 0.0002518500000000 ] - [ 0.0000660600000000, -0.0001370100000000, 0.0000127000000000 ] - [ 0.0000495300000000, -0.0000687100000000, -0.0001023700000000 ] - [ 0.0001090500000000, 0.0000313000000000, 0.0001943300000000 ] - [ 0.0000060200000000, -0.0000016300000000, 0.0000207400000000 ] - [ 0.0000728800000000, 0.0000020900000000, -0.0005560100000000 ] - [ -0.0001428700000000, -0.0004679500000000, 0.0002098900000000 ] - [ 0.0002464900000000, -0.0000039800000000, 0.0000818000000000 ] - [ -0.0025977700000000, -0.0002291400000000, 0.0002821300000000 ] - [ 0.0002449200000000, -0.0001874100000000, 0.0015912000000000 ] - [ -0.0000484600000000, -0.0001203600000000, 0.0000883000000000 ] - [ 0.0000499100000000, 0.0000837700000000, -0.0001614000000000 ] - [ -0.0019141400000000, -0.0009037300000000, -0.0021978600000000 ] - [ -0.0005807100000000, 0.0002252800000000, -0.0003193600000000 ] - [ -0.0026456000000000, -0.0023111100000000, 0.0003026900000000 ] - [ -0.0003880100000000, 0.0000575500000000, 0.0004498800000000 ] - [ 0.0003834800000000, -0.0009772200000000, -0.0006664400000000 ] - [ 0.0006891600000000, 0.0005320300000000, -0.0003867600000000 ] - [ 0.0000955000000000, -0.0002074100000000, -0.0001129400000000 ] - [ 0.0000104700000000, 0.0001523200000000, -0.0003181400000000 ] - [ -0.0021470900000000, 0.0004135700000000, -0.0012244700000000 ] - [ -0.0001150200000000, -0.0000903800000000, 0.0000290100000000 ] - [ -0.0003110600000000, -0.0003065000000000, -0.0003510400000000 ] - [ -0.0001117200000000, -0.0000166600000000, 0.0002429600000000 ] - [ 0.0026140300000000, -0.0003557500000000, 0.0013268500000000 ] - [ 0.0000295200000000, 0.0000052300000000, 0.0001865400000000 ] - [ -0.0000110200000000, -0.0000395500000000, 0.0002205600000000 ] - [ 0.0000486800000000, 0.0000077000000000, 0.0002167200000000 ] - [ -0.0002654600000000, 0.0000055000000000, -0.0001152600000000 ] - [ 0.0042214900000000, -0.0017064500000000, 0.0021860300000000 ] - [ -0.0001472300000000, 0.0000082500000000, 0.0002391200000000 ] - [ -0.0005629100000000, -0.0000784700000000, 0.0000973400000000 ] - [ -0.0002482800000000, 0.0005525700000000, -0.0001833400000000 ] - [ 0.0000714400000000, -0.0042939800000000, 0.0000328500000000 ] - [ 0.0003705100000000, -0.0000079400000000, -0.0005541200000000 ] - [ 0.0000073100000000, -0.0002150100000000, -0.0003071100000000 ] - [ -0.0000132800000000, 0.0000191700000000, 0.0000983600000000 ] - [ -0.0002035600000000, -0.0000301500000000, 0.0002572900000000 ] - [ 0.0050634800000000, -0.0023100000000000, 0.0020508400000000 ] - [ -0.0000023700000000, -0.0000161800000000, 0.0001257300000000 ] - [ -0.0009965400000000, 0.0003901300000000, 0.0000659900000000 ] - [ 0.0001205800000000, 0.0001731600000000, 0.0001240900000000 ] - [ 0.0000889200000000, 0.0000650400000000, -0.0000038400000000 ] - [ 0.0000270000000000, -0.0000030800000000, -0.0003209700000000 ] - [ -0.0003740700000000, 0.0000432900000000, 0.0000412500000000 ] - [ 0.0001675800000000, -0.0004575100000000, -0.0000553400000000 ] - [ -0.0000879600000000, 0.0000274300000000, -0.0003100000000000 ] - [ 0.0000900000000000, -0.0001357600000000, 0.0001875200000000 ] - [ 0.0000879300000000, -0.0000089700000000, -0.0003864800000000 ] - [ 0.0000734100000000, -0.0001839900000000, 0.0005442500000000 ] - [ 0.0000017600000000, -0.0000192800000000, 0.0000693100000000 ] - [ -0.0001867000000000, 0.0003644900000000, 0.0001121100000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004344600000000, -0.0002446200000000, -0.0003304100000000 ] - [ 0.0284913800000000, -0.0029541700000000, 0.0034279100000000 ] - [ -0.0003646500000000, 0.0005794700000000, -0.0001656000000000 ] - [ -0.0015099400000000, 0.0002971000000000, 0.0000911700000000 ] - [ -0.0001404300000000, 0.0002568600000000, -0.0002219500000000 ] - [ -0.0001352800000000, -0.0001695400000000, 0.0000227700000000 ] - [ 0.0002825900000000, -0.0000200600000000, 0.0000641700000000 ] - [ -0.0001205700000000, -0.0002516400000000, -0.0002202200000000 ] - [ -0.0001039900000000, 0.0002514200000000, 0.0002613200000000 ] - [ -0.0000769000000000, 0.0001708400000000, -0.0000287500000000 ] - [ -0.0006731100000000, -0.0000671800000000, 0.0001423800000000 ] - [ -0.0000731300000000, -0.0002336500000000, -0.0000946200000000 ] - [ -0.0002915300000000, -0.0002139500000000, -0.0003146000000000 ] - [ -0.0000408100000000, 0.0000079200000000, 0.0002086500000000 ] - [ 0.0001800400000000, -0.0000566200000000, -0.0001079200000000 ] - [ 0.0012928700000000, -0.0000690600000000, 0.0002771500000000 ] - [ -0.0020892200000000, 0.0020385000000000, 0.0001006100000000 ] - [ -0.0040523800000000, 0.0039080800000000, -0.0001713500000000 ] - [ 0.0004538500000000, -0.0003228300000000, -0.0005426700000000 ] - [ -0.0001972600000000, 0.0002150800000000, -0.0002995200000000 ] - [ 0.0002240800000000, 0.0000266700000000, 0.0000170900000000 ] - [ 0.0001054300000000, 0.0004125400000000, 0.0000417500000000 ] - [ -0.0002310500000000, 0.0000811400000000, 0.0003046500000000 ] - [ 0.0011686500000000, -0.0007458800000000, 0.0010403800000000 ] - [ -0.0005161100000000, -0.0000830800000000, -0.0002185500000000 ] - [ -0.0000139500000000, -0.0001877700000000, -0.0003396800000000 ] - [ 0.0002248400000000, -0.0000268800000000, -0.0000392400000000 ] - [ -0.0000270400000000, -0.0001266400000000, 0.0005503300000000 ] - [ -0.0005060700000000, 0.0000740200000000, -0.0001669100000000 ] - [ -0.0000771800000000, 0.0000710500000000, 0.0001180900000000 ] - [ 0.0003259800000000, -0.0000108100000000, -0.0000069600000000 ] - [ 0.0003124600000000, -0.0000174200000000, -0.0002039800000000 ] - [ 0.0002663800000000, -0.0000192000000000, 0.0002973700000000 ] - [ 0.0000258600000000, 0.0000407600000000, 0.0002139900000000 ] - [ 0.0002115800000000, 0.0000758300000000, -0.0001002500000000 ] - [ 0.0020563700000000, 0.0000317900000000, 0.0000929000000000 ] - [ -0.0001880800000000, 0.0003420200000000, 0.0000312600000000 ] - [ -0.0000829200000000, 0.0002073700000000, -0.0000851200000000 ] - [ -0.0002066500000000, -0.0003535900000000, 0.0000763600000000 ] - [ -0.0000891800000000, -0.0001548000000000, -0.0000250800000000 ] - [ 0.0002348000000000, 0.0000942200000000, -0.0004804700000000 ] - [ 0.0001353500000000, -0.0014008000000000, 0.0001148700000000 ] - [ 0.0000797300000000, -0.0000132600000000, 0.0000285700000000 ] - [ -0.0001545100000000, 0.0002062200000000, 0.0000652000000000 ] - [ -0.0004670000000000, -0.0000630900000000, -0.0034042900000000 ] - [ 0.0001607500000000, 0.0002133400000000, 0.0002272000000000 ] - [ -0.0002437600000000, 0.0002365100000000, -0.0003005400000000 ] - [ -0.0004533100000000, 0.0002025000000000, 0.0000961000000000 ] - [ -0.0009322200000000, 0.0002573500000000, 0.0007516700000000 ] - [ -0.0000243800000000, 0.0000728000000000, 0.0000948600000000 ] - [ 0.0000284200000000, -0.0000518900000000, 0.0003045400000000 ] - [ -0.0008793500000000, 0.0002607700000000, 0.0009371500000000 ] - [ -0.0007556300000000, -0.0000396600000000, 0.0000617200000000 ] - [ -0.0001272400000000, 0.0001454600000000, -0.0001074100000000 ] - [ -0.0002263800000000, -0.0001867100000000, -0.0015900000000000 ] - [ 0.0016450600000000, -0.0011637500000000, 0.0016952700000000 ] - [ -0.0000721200000000, -0.0001956400000000, -0.0000342600000000 ] - [ -0.0004583400000000, -0.0005575300000000, 0.0006765400000000 ] - [ -0.0003499700000000, -0.0005148200000000, 0.0007126300000000 ] - [ -0.0001641600000000, 0.0007818800000000, -0.0001844300000000 ] - [ 0.0002725100000000, -0.0001596000000000, -0.0002854700000000 ] - [ -0.0001683100000000, -0.0001404900000000, -0.0000892400000000 ] - [ 0.0000142600000000, -0.0000177100000000, 0.0001356300000000 ] - [ 0.0020629900000000, 0.0008738100000000, 0.0058026400000000 ] - [ -0.0008025300000000, 0.0018672700000000, 0.0002367100000000 ] - [ 0.0000223100000000, -0.0000361400000000, 0.0001313300000000 ] - [ -0.0020524200000000, 0.0003770600000000, -0.0010004800000000 ] - [ 0.0001518900000000, 0.0001171800000000, 0.0010639000000000 ] - [ 0.0001196200000000, -0.0005057700000000, -0.0005581200000000 ] - [ 0.0003696100000000, -0.0000300500000000, 0.0001404300000000 ] - [ 0.0001030900000000, 0.0000283100000000, -0.0000209700000000 ] - [ 0.0001362800000000, 0.0001959200000000, -0.0002338000000000 ] - [ -0.0003305700000000, 0.0000172700000000, -0.0002515300000000 ] - [ -0.0001349600000000, -0.0001823900000000, -0.0012103100000000 ] - [ -0.0001175100000000, 0.0000388100000000, 0.0001077200000000 ] - [ 0.0001906300000000, -0.0002019300000000, 0.0000327900000000 ] - [ -0.0013613400000000, 0.0004767200000000, -0.0000712000000000 ] - [ 0.0002957600000000, -0.0004600800000000, 0.0002418300000000 ] - [ 0.0000112800000000, 0.0000742900000000, -0.0000600700000000 ] - [ -0.0081809400000000, -0.0113543300000000, 0.0029746400000000 ] - [ -0.0003036300000000, 0.0000923900000000, -0.0000065400000000 ] - [ 0.0000613100000000, -0.0000650400000000, -0.0001877100000000 ] - [ 0.0012519500000000, 0.0006744800000000, 0.0069024600000000 ] - [ -0.0107931500000000, -0.0044496100000000, -0.0019618600000000 ] - [ 0.0009612900000000, -0.0003687100000000, -0.0002416300000000 ] - [ -0.0000944600000000, 0.0004845400000000, -0.0000757100000000 ] - [ -0.0022582800000000, 0.0004738900000000, -0.0005854300000000 ] - [ -0.0015342400000000, 0.0005942300000000, -0.0012143100000000 ] - [ 0.0003375200000000, -0.0008024600000000, 0.0003898300000000 ] - [ 0.0011853700000000, -0.0000373700000000, 0.0002916800000000 ] - [ 0.0001987300000000, -0.0000544300000000, 0.0003282300000000 ] - [ 0.0000861600000000, 0.0001608600000000, -0.0003485300000000 ] - [ 0.0002028000000000, 0.0003616400000000, -0.0003538700000000 ] - [ 0.0000322600000000, 0.0000328300000000, 0.0002385700000000 ] - [ 0.0000002400000000, 0.0000390200000000, 0.0000282600000000 ] - [ -0.0026013700000000, 0.0004622000000000, -0.0019029900000000 ] - [ 0.0000926500000000, -0.0000112400000000, 0.0002449600000000 ] - [ 0.0003162000000000, -0.0002296800000000, 0.0003364500000000 ] - [ 0.0002853500000000, 0.0000754800000000, 0.0004482000000000 ] - [ -0.0009336900000000, 0.0003354600000000, -0.0004736200000000 ] - [ 0.0001525800000000, -0.0001801800000000, -0.0003470700000000 ] - [ -0.0001534900000000, 0.0001745600000000, -0.0000922500000000 ] - [ -0.0001912300000000, 0.0000488900000000, -0.0003415300000000 ] - [ 0.0012207500000000, 0.0007062100000000, -0.0004474300000000 ] - [ 0.0002737800000000, -0.0001156600000000, -0.0011064400000000 ] - [ 0.0001628600000000, 0.0002173700000000, -0.0001307500000000 ] - [ 0.0001804900000000, -0.0000025500000000, 0.0002287800000000 ] - [ -0.0000541700000000, 0.0000620400000000, -0.0000733800000000 ] - [ 0.0000394800000000, 0.0000269000000000, -0.0010519200000000 ] - [ 0.0000176300000000, 0.0000000300000000, -0.0002569600000000 ] - [ -0.0000694200000000, 0.0000382000000000, 0.0000092700000000 ] - [ 0.0006003100000000, -0.0014821600000000, -0.0003743000000000 ] - [ -0.0028820100000000, 0.0005578700000000, -0.0012598100000000 ] - [ 0.0000287500000000, -0.0000058900000000, -0.0000460700000000 ] - [ -0.0004003200000000, 0.0006786400000000, 0.0001797100000000 ] - [ -0.0000303200000000, 0.0000616000000000, 0.0008968500000000 ] - [ 0.0038367100000000, 0.0019193900000000, 0.0001766000000000 ] - [ -0.0010227000000000, -0.0011080800000000, -0.0016163200000000 ] - [ -0.0000411500000000, -0.0000030000000000, -0.0001632800000000 ] - [ 0.0000773300000000, -0.0001355100000000, -0.0003241400000000 ] - [ -0.0003569600000000, 0.0000128500000000, -0.0002061400000000 ] - [ 0.0001154000000000, 0.0002564300000000, -0.0001924000000000 ] - [ -0.0000467600000000, -0.0000144900000000, -0.0002597600000000 ] - [ -0.0000367700000000, 0.0000504200000000, 0.0003113700000000 ] - [ 0.0015333100000000, 0.0021916800000000, -0.0026990700000000 ] - [ 0.0001513900000000, -0.0003079100000000, -0.0000538800000000 ] - [ -0.0000368700000000, -0.0000373800000000, 0.0001117900000000 ] - [ -0.0001110600000000, -0.0000369200000000, -0.0002969700000000 ] - [ 0.0001355900000000, -0.0006130000000000, -0.0011606700000000 ] - [ -0.0019105600000000, -0.0013146400000000, 0.0016069700000000 ] - [ 0.0001082200000000, -0.0002253800000000, -0.0001302400000000 ] - [ -0.0000763400000000, 0.0001831400000000, 0.0000173400000000 ] - [ 0.0002529400000000, -0.0006255900000000, 0.0003492400000000 ] - [ -0.0003516900000000, 0.0005129600000000, 0.0006141300000000 ] - [ 0.0000124200000000, -0.0000809100000000, -0.0001570200000000 ] - [ -0.0000465600000000, 0.0000183200000000, 0.0004736000000000 ] - [ 0.0001389900000000, 0.0001939100000000, 0.0007554000000000 ] - [ 0.0000662500000000, 0.0000251500000000, 0.0000637400000000 ] - [ -0.0003288500000000, -0.0000203900000000, -0.0005097900000000 ] - [ 0.0000499800000000, -0.0001204900000000, -0.0002339600000000 ] - [ 0.0000686500000000, -0.0000291000000000, 0.0001206500000000 ] - [ -0.0000046800000000, 0.0000047500000000, -0.0000527800000000 ] - [ -0.0000708700000000, 0.0000011200000000, -0.0003189900000000 ] - [ -0.0004091300000000, -0.0004876900000000, 0.0005950000000000 ] - [ 0.0000009800000000, 0.0000036400000000, -0.0000760600000000 ] - [ 0.0030333400000000, 0.0000669800000000, 0.0002644800000000 ] - [ -0.0003135300000000, -0.0004269900000000, -0.0012174100000000 ] - [ -0.0000736200000000, -0.0000912900000000, -0.0000828900000000 ] - [ 0.0000521800000000, 0.0000930800000000, -0.0001740900000000 ] - [ 0.0018582600000000, 0.0008114900000000, 0.0016894100000000 ] - [ 0.0007553200000000, -0.0002348200000000, 0.0001249400000000 ] - [ 0.0028561700000000, 0.0027090400000000, -0.0006497000000000 ] - [ 0.0003860400000000, -0.0000615500000000, 0.0011758200000000 ] - [ 0.0004822900000000, -0.0004416500000000, -0.0003051600000000 ] - [ 0.0000942300000000, 0.0009217900000000, -0.0005835800000000 ] - [ 0.0001712600000000, -0.0002419100000000, -0.0001340300000000 ] - [ 0.0001285400000000, 0.0001549800000000, -0.0003306400000000 ] - [ 0.0004874000000000, -0.0003695100000000, 0.0002503600000000 ] - [ 0.0001092600000000, -0.0002147700000000, -0.0005264100000000 ] - [ 0.0010967400000000, -0.0011579800000000, -0.0006202600000000 ] - [ 0.0000247700000000, -0.0001234600000000, 0.0000765300000000 ] - [ -0.0020269300000000, 0.0001148100000000, -0.0009518000000000 ] - [ -0.0001130300000000, 0.0001294500000000, 0.0001341000000000 ] - [ -0.0000331600000000, -0.0000371900000000, 0.0002318100000000 ] - [ -0.0000516700000000, -0.0000128700000000, -0.0002937500000000 ] - [ -0.0002763500000000, -0.0000211300000000, -0.0001338400000000 ] - [ -0.0037796300000000, 0.0023466400000000, -0.0015617800000000 ] - [ 0.0003056100000000, -0.0000126900000000, 0.0000820900000000 ] - [ 0.0000591000000000, -0.0003002900000000, 0.0002826700000000 ] - [ 0.0001882500000000, -0.0004361300000000, -0.0003243900000000 ] - [ -0.0001272200000000, 0.0038294300000000, 0.0005086100000000 ] - [ -0.0003258400000000, -0.0000793300000000, 0.0005081400000000 ] - [ -0.0001246900000000, 0.0000137900000000, 0.0005094900000000 ] - [ 0.0000098200000000, -0.0000360900000000, 0.0000584800000000 ] - [ -0.0002532900000000, 0.0000360500000000, 0.0000810100000000 ] - [ -0.0050118400000000, 0.0021789400000000, -0.0019495600000000 ] - [ -0.0000007500000000, 0.0000106300000000, 0.0000297200000000 ] - [ 0.0009421200000000, -0.0003938400000000, -0.0000390700000000 ] - [ 0.0001119400000000, 0.0002299900000000, 0.0002127300000000 ] - [ -0.0000455100000000, 0.0000101500000000, -0.0000517500000000 ] - [ -0.0000092400000000, 0.0000336500000000, -0.0003809900000000 ] - [ 0.0002766000000000, -0.0000500900000000, -0.0000918100000000 ] - [ -0.0001394700000000, 0.0005033400000000, 0.0000811600000000 ] - [ 0.0000724900000000, -0.0000201400000000, -0.0003965900000000 ] - [ 0.0001435300000000, -0.0002570400000000, 0.0001505100000000 ] - [ -0.0000737600000000, -0.0000004400000000, -0.0003195000000000 ] - [ 0.0001665800000000, 0.0001869900000000, -0.0003432100000000 ] - [ -0.0000148100000000, 0.0000077300000000, 0.0000873400000000 ] - [ 0.0000697900000000, -0.0001565000000000, 0.0000870800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005628400000000, 0.0007272900000000, 0.0000628100000000 ] - [ -0.0035020600000000, 0.0060657400000000, -0.0237341100000000 ] - [ 0.0004267800000000, -0.0007392100000000, 0.0005183400000000 ] - [ 0.0000165900000000, -0.0001543900000000, -0.0004660400000000 ] - [ -0.0001025600000000, 0.0001776500000000, 0.0002029600000000 ] - [ -0.0001543100000000, -0.0001823700000000, 0.0003565900000000 ] - [ 0.0002314900000000, -0.0000498000000000, 0.0004526900000000 ] - [ -0.0000769500000000, -0.0001947700000000, 0.0002320000000000 ] - [ -0.0001763900000000, 0.0003055200000000, 0.0006415200000000 ] - [ -0.0000907300000000, 0.0002444300000000, 0.0003848000000000 ] - [ 0.0000440900000000, 0.0001823500000000, -0.0004531400000000 ] - [ -0.0000868900000000, -0.0002432200000000, 0.0002158300000000 ] - [ -0.0001269200000000, -0.0002395200000000, -0.0000780000000000 ] - [ 0.0001311700000000, -0.0000463700000000, 0.0005181600000000 ] - [ 0.0002540800000000, -0.0000463600000000, 0.0002158300000000 ] - [ -0.0001708300000000, -0.0000919200000000, -0.0018119100000000 ] - [ 0.0001650200000000, 0.0001019800000000, -0.0018119100000000 ] - [ 0.0004373200000000, -0.0000932800000000, -0.0024749900000000 ] - [ 0.0004681600000000, 0.0006140200000000, -0.0001559200000000 ] - [ -0.0001027300000000, 0.0002600000000000, -0.0000841700000000 ] - [ 0.0002350900000000, 0.0000424500000000, 0.0003565900000000 ] - [ 0.0000780400000000, 0.0005474400000000, -0.0002397400000000 ] - [ -0.0004413400000000, -0.0000426300000000, 0.0000163300000000 ] - [ -0.0011121900000000, -0.0013545600000000, 0.0014612400000000 ] - [ 0.0001958000000000, 0.0000351100000000, 0.0000439600000000 ] - [ -0.0001920100000000, -0.0004494900000000, 0.0001267000000000 ] - [ 0.0000260300000000, -0.0000450800000000, 0.0009164000000000 ] - [ -0.0002921900000000, -0.0001828100000000, 0.0009628700000000 ] - [ 0.0002809700000000, 0.0001743700000000, 0.0000154600000000 ] - [ 0.0001807800000000, 0.0000592400000000, 0.0005296800000000 ] - [ 0.0004015100000000, 0.0000000500000000, 0.0003866100000000 ] - [ 0.0002071500000000, -0.0000307500000000, 0.0002320000000000 ] - [ 0.0003044200000000, 0.0001616400000000, 0.0009628700000000 ] - [ -0.0000254200000000, -0.0001367800000000, 0.0005181600000000 ] - [ 0.0002535500000000, 0.0000789700000000, 0.0002248800000000 ] - [ -0.0001378800000000, -0.0004253700000000, -0.0024749900000000 ] - [ -0.0001787300000000, 0.0003095700000000, 0.0004272800000000 ] - [ -0.0001121500000000, 0.0002228900000000, 0.0002321700000000 ] - [ -0.0002008000000000, -0.0003477000000000, 0.0003866100000000 ] - [ 0.0000048200000000, -0.0000327700000000, 0.0002888500000000 ] - [ 0.0004852800000000, -0.0000584600000000, 0.0001267000000000 ] - [ 0.0001254100000000, -0.0000915700000000, -0.0004660400000000 ] - [ 0.0000236200000000, 0.0001794400000000, 0.0003933300000000 ] - [ -0.0001663100000000, 0.0002007900000000, 0.0003848000000000 ] - [ 0.0035476300000000, -0.0001030000000000, 0.0029088800000000 ] - [ 0.0002575900000000, 0.0003609000000000, 0.0000163300000000 ] - [ -0.0001738000000000, 0.0002189700000000, -0.0000841700000000 ] - [ -0.0005131200000000, 0.0002061400000000, -0.0002397400000000 ] - [ -0.0007658400000000, -0.0000984300000000, -0.0001559200000000 ] - [ -0.0001672100000000, 0.0000692600000000, 0.0003933300000000 ] - [ -0.0001416900000000, -0.0001269400000000, 0.0005296800000000 ] - [ -0.0009112700000000, -0.0001237900000000, 0.0000628100000000 ] - [ -0.0001799600000000, 0.0000529900000000, -0.0004531400000000 ] - [ -0.0001369600000000, 0.0002085700000000, 0.0002321700000000 ] - [ 0.0017291800000000, 0.0002859000000000, 0.0014612400000000 ] - [ -0.0016846200000000, -0.0031238400000000, 0.0029088800000000 ] - [ -0.0000726200000000, -0.0002253800000000, 0.0004526900000000 ] - [ -0.0002914900000000, -0.0001561400000000, 0.0000154600000000 ] - [ -0.0001283000000000, -0.0001520100000000, 0.0000439600000000 ] - [ 0.0004722500000000, -0.0008179600000000, 0.0004287200000000 ] - [ 0.0002709000000000, -0.0000098400000000, -0.0000780000000000 ] - [ -0.0001951700000000, -0.0001800900000000, 0.0002248800000000 ] - [ 0.0000259700000000, -0.0000205600000000, 0.0002888500000000 ] - [ -0.0019496500000000, 0.0033769000000000, 0.0090051400000000 ] - [ 0.0000789300000000, -0.0001367000000000, -0.0023462100000000 ] - [ 0.0000027300000000, -0.0000414900000000, 0.0010977500000000 ] - [ 0.0010667800000000, -0.0000912200000000, -0.0004882000000000 ] - [ -0.0004290800000000, -0.0000394800000000, 0.0008966400000000 ] - [ -0.0004543900000000, -0.0009694600000000, -0.0004882000000000 ] - [ 0.0002071600000000, -0.0003588100000000, 0.0020294000000000 ] - [ -0.0000191500000000, 0.0000331800000000, 0.0013091200000000 ] - [ 0.0001011300000000, 0.0001785900000000, 0.0007019100000000 ] - [ -0.0002052300000000, 0.0000017100000000, 0.0007019100000000 ] - [ 0.0002487300000000, 0.0003518500000000, 0.0008966400000000 ] - [ 0.0000345600000000, -0.0000231100000000, 0.0010977500000000 ] - [ 0.0000958400000000, -0.0001660000000000, 0.0012800800000000 ] - [ 0.0006685600000000, -0.0000306200000000, -0.0004805300000000 ] - [ -0.0003077600000000, -0.0005943000000000, -0.0004805300000000 ] - [ 0.0001227200000000, -0.0002125600000000, 0.0004062100000000 ] - [ 0.0005938500000000, 0.0014481100000000, -0.0045253800000000 ] - [ -0.0002545000000000, 0.0000290600000000, 0.0003213200000000 ] - [ 0.0001020800000000, 0.0002349400000000, 0.0003213200000000 ] - [ -0.0044192700000000, 0.0076544000000000, 0.0050729600000000 ] - [ -0.0015510300000000, 0.0002097700000000, -0.0045253800000000 ] - [ 0.0002237400000000, 0.0000037500000000, 0.0003624500000000 ] - [ -0.0001151200000000, -0.0001918900000000, 0.0003624500000000 ] - [ 0.0004273400000000, -0.0007401700000000, 0.0031381400000000 ] - [ 0.0018589700000000, -0.0032198400000000, -0.0026682000000000 ] - [ 0.0001171800000000, -0.0000802800000000, 0.0010959800000000 ] - [ 0.0001397000000000, 0.0000267100000000, 0.0003385300000000 ] - [ 0.0001939800000000, -0.0000149200000000, 0.0002424000000000 ] - [ 0.0001569000000000, 0.0002758700000000, -0.0006960000000000 ] - [ 0.0003096000000000, 0.0004425200000000, -0.0004235100000000 ] - [ -0.0005380300000000, -0.0000468600000000, -0.0004235100000000 ] - [ -0.0001405200000000, -0.0000811600000000, -0.0006339700000000 ] - [ 0.0002797900000000, -0.0004846100000000, 0.0015632200000000 ] - [ -0.0000051900000000, 0.0000003500000000, -0.0003696100000000 ] - [ -0.0006965000000000, 0.0003088600000000, 0.0003242200000000 ] - [ 0.0003319700000000, 0.0001846700000000, -0.0002534700000000 ] - [ -0.0005778500000000, 0.0001355400000000, -0.0002916000000000 ] - [ 0.0001480500000000, -0.0002280600000000, -0.0006621300000000 ] - [ 0.0000978000000000, 0.0001553900000000, 0.0005706500000000 ] - [ -0.0002920500000000, 0.0000193000000000, -0.0006726100000000 ] - [ 0.0001715400000000, 0.0005682100000000, -0.0002916000000000 ] - [ 0.0021530700000000, -0.0007957300000000, -0.0007817500000000 ] - [ 0.0001778300000000, 0.0003203000000000, -0.0004707700000000 ] - [ 0.0005732900000000, 0.0004226900000000, 0.0003146000000000 ] - [ 0.0000622300000000, -0.0001077800000000, -0.0005256400000000 ] - [ 0.0003106800000000, 0.0001076500000000, -0.0007324500000000 ] - [ 0.0000768200000000, 0.0001414500000000, -0.0004702700000000 ] - [ 0.0000071700000000, -0.0000124200000000, -0.0008316900000000 ] - [ -0.0001687300000000, 0.0002922400000000, 0.0008854800000000 ] - [ -0.0001977400000000, 0.0003424900000000, 0.0008497000000000 ] - [ 0.0000002200000000, 0.0000039400000000, -0.0006930900000000 ] - [ 0.0000807700000000, 0.0007576100000000, 0.0003242200000000 ] - [ 0.0000891400000000, 0.0002007900000000, 0.0006998000000000 ] - [ -0.0005712600000000, -0.0004658900000000, 0.0006051700000000 ] - [ -0.0003874200000000, -0.0022624800000000, -0.0007817500000000 ] - [ -0.0002049200000000, -0.0000005800000000, -0.0004963000000000 ] - [ 0.0001234900000000, -0.0002422500000000, -0.0006621300000000 ] - [ -0.0004608700000000, -0.0000135000000000, -0.0006269000000000 ] - [ 0.0002421200000000, 0.0003923800000000, -0.0006269000000000 ] - [ -0.0001609100000000, 0.0000042000000000, -0.0004702700000000 ] - [ -0.0000929800000000, -0.0001076300000000, 0.0003385300000000 ] - [ 0.0006970600000000, -0.0000120700000000, 0.0026393900000000 ] - [ 0.0000613200000000, -0.0001062100000000, -0.0003076000000000 ] - [ -0.0001068300000000, -0.0002130700000000, -0.0001030500000000 ] - [ -0.0003173600000000, 0.0000020600000000, -0.0006960000000000 ] - [ 0.0010170800000000, -0.0017616300000000, -0.0017295200000000 ] - [ 0.0000820200000000, -0.0004870500000000, 0.0037116600000000 ] - [ 0.0001944300000000, -0.0003133800000000, -0.0004746500000000 ] - [ 0.0000604400000000, -0.0002694600000000, -0.0005792200000000 ] - [ 0.0000109400000000, -0.0001416200000000, 0.0010959800000000 ] - [ -0.0003342100000000, 0.0005788700000000, -0.0000831900000000 ] - [ -0.0000452000000000, 0.0000782900000000, -0.0004034300000000 ] - [ -0.0000840700000000, -0.0001754500000000, 0.0002424000000000 ] - [ -0.0002485700000000, -0.0002152300000000, -0.0007324500000000 ] - [ 0.0000703300000000, 0.0000923300000000, -0.0001006600000000 ] - [ 0.0001405400000000, 0.0000811200000000, -0.0006339700000000 ] - [ 0.0001510900000000, -0.0002617000000000, -0.0006363200000000 ] - [ 0.0000741400000000, -0.0000892900000000, -0.0000964500000000 ] - [ -0.0000035200000000, 0.0000017800000000, -0.0006930900000000 ] - [ -0.0000339500000000, 0.0000588100000000, -0.0014358200000000 ] - [ -0.0003259100000000, -0.0001951500000000, -0.0002534700000000 ] - [ -0.0000762700000000, -0.0000079000000000, -0.0005263100000000 ] - [ 0.0007017200000000, 0.0001517300000000, 0.0014746600000000 ] - [ 0.0009691500000000, -0.0002736600000000, -0.0017048000000000 ] - [ 0.0000449800000000, 0.0000621000000000, -0.0005263100000000 ] - [ 0.0001029600000000, 0.0001771700000000, -0.0004963000000000 ] - [ -0.0003380800000000, -0.0006097000000000, 0.0026393900000000 ] - [ -0.0001834700000000, -0.0000070000000000, 0.0005706500000000 ] - [ 0.0006891000000000, 0.0002617800000000, 0.0006051700000000 ] - [ -0.0002184600000000, 0.0000232000000000, 0.0006998000000000 ] - [ 0.0003987500000000, -0.0003262300000000, -0.0002645600000000 ] - [ 0.0007242900000000, 0.0016037600000000, -0.0005442000000000 ] - [ 0.0001741800000000, -0.0003250700000000, -0.0004746500000000 ] - [ 0.0001293200000000, 0.0002625800000000, -0.0006726100000000 ] - [ -0.0017510400000000, 0.0001746200000000, -0.0005442000000000 ] - [ 0.0002031400000000, -0.0001870700000000, -0.0005792200000000 ] - [ 0.0000831500000000, -0.0005084500000000, -0.0002645600000000 ] - [ 0.0000402600000000, -0.0001088500000000, -0.0000964500000000 ] - [ -0.0002475700000000, -0.0009761400000000, -0.0017048000000000 ] - [ -0.0001151300000000, -0.0000147400000000, -0.0001006600000000 ] - [ 0.0000022900000000, 0.0000046700000000, -0.0003696100000000 ] - [ 0.0000388000000000, -0.0000672100000000, -0.0011964100000000 ] - [ -0.0003663000000000, 0.0000061400000000, -0.0004707700000000 ] - [ 0.0003807900000000, -0.0003145500000000, 0.0037116600000000 ] - [ 0.0002379400000000, -0.0000140100000000, -0.0001030500000000 ] - [ -0.0006527100000000, -0.0002851400000000, 0.0003146000000000 ] - [ -0.0001095700000000, 0.0001897800000000, 0.0013277200000000 ] - [ -0.0004822600000000, -0.0005318400000000, 0.0014746600000000 ] - [ -0.0003181100000000, 0.0005509800000000, -0.0010248700000000 ] - [ -0.0004938200000000, -0.0002458400000000, -0.0000936300000000 ] - [ 0.0000177300000000, -0.0000307000000000, -0.0002829100000000 ] - [ -0.0001576300000000, 0.0000479300000000, -0.0001840700000000 ] - [ 0.0021052000000000, -0.0036463100000000, 0.0073421700000000 ] - [ 0.0000081000000000, 0.0000172100000000, -0.0003047000000000 ] - [ 0.0001939800000000, -0.0000524500000000, 0.0005609100000000 ] - [ 0.0000373000000000, 0.0001604800000000, -0.0001840700000000 ] - [ -0.0000809500000000, -0.0001942200000000, -0.0000987700000000 ] - [ -0.0000084000000000, -0.0000430900000000, -0.0006825400000000 ] - [ 0.0002086700000000, -0.0000270100000000, -0.0000987700000000 ] - [ -0.0000515700000000, -0.0001942100000000, 0.0005609100000000 ] - [ 0.0000415200000000, -0.0000142800000000, -0.0006825400000000 ] - [ 0.0001144000000000, -0.0001981500000000, -0.0001632400000000 ] - [ -0.0000369100000000, 0.0000639200000000, -0.0008769400000000 ] - [ 0.0004598200000000, 0.0003047400000000, -0.0000936300000000 ] - [ -0.0000189600000000, 0.0000015900000000, -0.0003047000000000 ] - [ 0.0000315600000000, -0.0000546600000000, -0.0000622000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005165100000000, -0.0003089200000000, 0.0003713800000000 ] - [ 0.0032452100000000, -0.0056208700000000, 0.0240641600000000 ] - [ -0.0004855500000000, 0.0008409900000000, -0.0002360800000000 ] - [ 0.0000117600000000, -0.0001313200000000, 0.0007148100000000 ] - [ -0.0001517000000000, 0.0002627500000000, -0.0006479800000000 ] - [ -0.0000669700000000, -0.0002080000000000, -0.0003664100000000 ] - [ 0.0002161200000000, 0.0000516300000000, -0.0004620200000000 ] - [ -0.0001826900000000, -0.0002472100000000, -0.0006755700000000 ] - [ 0.0000395600000000, -0.0000685200000000, -0.0005229800000000 ] - [ -0.0001407500000000, 0.0001455400000000, -0.0003963000000000 ] - [ -0.0000186700000000, 0.0001099200000000, 0.0006985400000000 ] - [ -0.0000430500000000, -0.0001867900000000, -0.0004716100000000 ] - [ -0.0000604900000000, -0.0001810600000000, -0.0005094000000000 ] - [ -0.0001023400000000, -0.0001152800000000, -0.0000142100000000 ] - [ 0.0001832900000000, -0.0000561100000000, -0.0004716100000000 ] - [ 0.0000440500000000, -0.0001248300000000, 0.0021501300000000 ] - [ 0.0000860800000000, -0.0001005700000000, 0.0021501300000000 ] - [ -0.0002184500000000, 0.0002601200000000, 0.0027239300000000 ] - [ -0.0004973700000000, -0.0003203800000000, 0.0002632200000000 ] - [ -0.0000823500000000, 0.0001724600000000, -0.0005036500000000 ] - [ 0.0002136200000000, -0.0000460000000000, -0.0003664100000000 ] - [ 0.0001952200000000, -0.0004228300000000, 0.0003443000000000 ] - [ 0.0004924300000000, -0.0003852500000000, 0.0004149600000000 ] - [ 0.0012436300000000, 0.0013724800000000, -0.0011920800000000 ] - [ 0.0000821300000000, -0.0000313200000000, 0.0005399100000000 ] - [ -0.0000720300000000, 0.0000664400000000, -0.0007147000000000 ] - [ -0.0001408400000000, 0.0002439400000000, -0.0012403600000000 ] - [ 0.0001451400000000, 0.0001254300000000, -0.0004617400000000 ] - [ 0.0000626800000000, 0.0000847900000000, 0.0004182700000000 ] - [ -0.0001591400000000, 0.0001034700000000, -0.0000285400000000 ] - [ 0.0003502200000000, -0.0000059500000000, -0.0003477000000000 ] - [ 0.0003054400000000, 0.0000346100000000, -0.0006755700000000 ] - [ -0.0001812000000000, -0.0000629800000000, -0.0004617400000000 ] - [ 0.0001510100000000, 0.0000309900000000, -0.0000142100000000 ] - [ 0.0001867300000000, 0.0000218300000000, -0.0004812600000000 ] - [ -0.0001160500000000, 0.0003192400000000, 0.0027239300000000 ] - [ -0.0001951800000000, 0.0003380700000000, -0.0003862600000000 ] - [ -0.0000123300000000, 0.0002037000000000, -0.0004922300000000 ] - [ -0.0001699600000000, -0.0003062700000000, -0.0003477000000000 ] - [ -0.0001443800000000, -0.0001969600000000, -0.0001669700000000 ] - [ -0.0000215200000000, 0.0000956000000000, -0.0007147000000000 ] - [ 0.0001078500000000, -0.0000758400000000, 0.0007148100000000 ] - [ -0.0001398000000000, -0.0003707500000000, -0.0007274200000000 ] - [ -0.0000556700000000, 0.0001946600000000, -0.0003963000000000 ] - [ -0.0035399800000000, -0.0001978400000000, -0.0027794900000000 ] - [ 0.0000874200000000, -0.0006190900000000, 0.0004149600000000 ] - [ -0.0001081800000000, 0.0001575500000000, -0.0005036500000000 ] - [ 0.0002685800000000, -0.0003804800000000, 0.0003443000000000 ] - [ 0.0005261400000000, 0.0002705500000000, 0.0002632200000000 ] - [ 0.0003909700000000, -0.0000643000000000, -0.0007274200000000 ] - [ -0.0000100400000000, 0.0001895500000000, -0.0000285400000000 ] - [ 0.0005257800000000, 0.0002928500000000, 0.0003713800000000 ] - [ -0.0000858600000000, 0.0000711300000000, 0.0006985400000000 ] - [ -0.0001702400000000, 0.0001125200000000, -0.0004922300000000 ] - [ -0.0018104200000000, -0.0003907700000000, -0.0011920800000000 ] - [ 0.0019413200000000, 0.0029668000000000, -0.0027794900000000 ] - [ -0.0001527800000000, -0.0001613500000000, -0.0004620200000000 ] - [ -0.0001047700000000, -0.0000118800000000, 0.0004182700000000 ] - [ -0.0000139400000000, -0.0000867800000000, 0.0005399100000000 ] - [ -0.0006114400000000, 0.0010590500000000, 0.0001561400000000 ] - [ 0.0001870500000000, -0.0000381500000000, -0.0005094000000000 ] - [ -0.0001122700000000, -0.0001508000000000, -0.0004812600000000 ] - [ 0.0002427600000000, 0.0000265600000000, -0.0001669700000000 ] - [ 0.0020404800000000, -0.0035342200000000, -0.0084093900000000 ] - [ -0.0001474600000000, 0.0002554100000000, 0.0025837300000000 ] - [ 0.0000011100000000, 0.0000430700000000, -0.0009351600000000 ] - [ -0.0010664300000000, 0.0000924100000000, -0.0005041800000000 ] - [ 0.0007066400000000, 0.0005263100000000, -0.0009975900000000 ] - [ 0.0004531900000000, 0.0009697600000000, -0.0005041800000000 ] - [ -0.0002094900000000, 0.0003628500000000, -0.0011324300000000 ] - [ 0.0000188600000000, -0.0000326700000000, -0.0019832000000000 ] - [ 0.0001340100000000, 0.0002279700000000, -0.0011717500000000 ] - [ -0.0002644300000000, -0.0000020800000000, -0.0011717500000000 ] - [ -0.0008091200000000, -0.0003488200000000, -0.0009975900000000 ] - [ -0.0000378500000000, 0.0000205700000000, -0.0009351600000000 ] - [ 0.0001365300000000, -0.0002364700000000, -0.0017562100000000 ] - [ -0.0007767800000000, 0.0000308800000000, 0.0010780300000000 ] - [ 0.0003616400000000, 0.0006881500000000, 0.0010780300000000 ] - [ 0.0001599100000000, -0.0002769800000000, -0.0005103200000000 ] - [ -0.0004908200000000, -0.0014868600000000, 0.0047918300000000 ] - [ 0.0002631500000000, -0.0000255600000000, -0.0009143100000000 ] - [ -0.0001094300000000, -0.0002406700000000, -0.0009143100000000 ] - [ 0.0043560700000000, -0.0075449400000000, -0.0044227200000000 ] - [ 0.0015330700000000, -0.0003183700000000, 0.0047918300000000 ] - [ -0.0002226900000000, -0.0000060800000000, -0.0006034300000000 ] - [ 0.0001166100000000, 0.0001898200000000, -0.0006034300000000 ] - [ -0.0004867300000000, 0.0008430300000000, -0.0028993400000000 ] - [ -0.0017114400000000, 0.0029643100000000, 0.0029012500000000 ] - [ 0.0003035200000000, 0.0002567000000000, -0.0005515100000000 ] - [ 0.0004892700000000, -0.0000293300000000, 0.0000868100000000 ] - [ -0.0001944700000000, 0.0000146100000000, 0.0008278000000000 ] - [ 0.0000392800000000, -0.0000044000000000, 0.0000474100000000 ] - [ -0.0001588700000000, -0.0001745300000000, 0.0003324100000000 ] - [ 0.0002305900000000, 0.0000503200000000, 0.0003324100000000 ] - [ 0.0004030300000000, 0.0002242500000000, 0.0001384500000000 ] - [ -0.0003219600000000, 0.0005576500000000, -0.0023124400000000 ] - [ 0.0000910800000000, -0.0000027500000000, 0.0008275100000000 ] - [ 0.0002005700000000, 0.0000707400000000, 0.0000514800000000 ] - [ 0.0007797000000000, -0.0001835200000000, 0.0010619400000000 ] - [ -0.0010845900000000, -0.0001864400000000, -0.0006796300000000 ] - [ 0.0000502700000000, -0.0000440600000000, 0.0000131100000000 ] - [ -0.0001852200000000, -0.0003134600000000, -0.0007785400000000 ] - [ -0.0000458700000000, 0.0000156900000000, 0.0000224000000000 ] - [ 0.0007037600000000, 0.0008460600000000, -0.0006796300000000 ] - [ -0.0023819800000000, 0.0007844000000000, 0.0010495300000000 ] - [ 0.0001011200000000, 0.0001349000000000, 0.0002207100000000 ] - [ -0.0000016600000000, -0.0001792200000000, 0.0000618900000000 ] - [ -0.0001874300000000, 0.0003246400000000, 0.0005311900000000 ] - [ -0.0004465600000000, -0.0003390000000000, 0.0003521400000000 ] - [ -0.0000874400000000, 0.0001615000000000, -0.0000257200000000 ] - [ -0.0000485700000000, 0.0000841300000000, 0.0012913800000000 ] - [ 0.0003987700000000, -0.0006907000000000, -0.0012266600000000 ] - [ 0.0001825900000000, -0.0003162500000000, -0.0012023000000000 ] - [ -0.0000009900000000, -0.0000023000000000, 0.0006646700000000 ] - [ -0.0001615500000000, -0.0001383300000000, 0.0000514800000000 ] - [ -0.0000881300000000, -0.0002032200000000, 0.0009402900000000 ] - [ 0.0001288500000000, 0.0004764200000000, -0.0009481600000000 ] - [ 0.0005116800000000, 0.0024550600000000, 0.0010495300000000 ] - [ -0.0000061500000000, -0.0000037300000000, 0.0001590600000000 ] - [ 0.0000130300000000, -0.0000655600000000, 0.0000131100000000 ] - [ -0.0000628700000000, 0.0000226100000000, 0.0003781700000000 ] - [ 0.0000118500000000, 0.0000657500000000, 0.0003781700000000 ] - [ -0.0000961400000000, 0.0001564800000000, -0.0000257200000000 ] - [ -0.0002192400000000, -0.0004383800000000, 0.0000868100000000 ] - [ -0.0005720000000000, 0.0000160800000000, -0.0031586000000000 ] - [ 0.0000892700000000, -0.0001546200000000, 0.0002176800000000 ] - [ 0.0000278200000000, 0.0000655000000000, 0.0004187700000000 ] - [ -0.0000158300000000, -0.0000362100000000, 0.0000474100000000 ] - [ -0.0013332100000000, 0.0023091900000000, 0.0021421200000000 ] - [ -0.0004616800000000, 0.0007695000000000, -0.0031794000000000 ] - [ 0.0000631300000000, -0.0001558400000000, 0.0002246900000000 ] - [ 0.0002058300000000, 0.0001281800000000, 0.0000829900000000 ] - [ -0.0003740700000000, -0.0001345000000000, -0.0005515100000000 ] - [ -0.0002210900000000, 0.0003829500000000, 0.0008893100000000 ] - [ -0.0000916300000000, 0.0001587100000000, 0.0000262400000000 ] - [ 0.0000845800000000, 0.0001757200000000, 0.0008278000000000 ] - [ 0.0005168600000000, 0.0002172300000000, 0.0003521400000000 ] - [ -0.0001543600000000, 0.0000603100000000, 0.0004143800000000 ] - [ -0.0003957200000000, -0.0002369100000000, 0.0001384500000000 ] - [ -0.0000434900000000, 0.0000753300000000, 0.0002990500000000 ] - [ 0.0001030100000000, 0.0000938300000000, 0.0004092700000000 ] - [ 0.0000024900000000, -0.0000003000000000, 0.0006646700000000 ] - [ 0.0000333800000000, -0.0000578100000000, 0.0005500800000000 ] - [ -0.0002309200000000, -0.0007670000000000, 0.0010619400000000 ] - [ 0.0003258800000000, 0.0000075300000000, 0.0005320300000000 ] - [ -0.0002933500000000, -0.0003284600000000, -0.0009302900000000 ] - [ -0.0010566400000000, -0.0003389900000000, 0.0020860400000000 ] - [ -0.0001694600000000, -0.0002784500000000, 0.0005320300000000 ] - [ 0.0000063000000000, 0.0000034700000000, 0.0001590600000000 ] - [ 0.0002720800000000, 0.0005034100000000, -0.0031586000000000 ] - [ 0.0003640800000000, 0.0000036800000000, -0.0007785400000000 ] - [ -0.0004770200000000, 0.0001266200000000, -0.0009481600000000 ] - [ 0.0002200600000000, -0.0000252800000000, 0.0009402900000000 ] - [ 0.0004749500000000, -0.0010918300000000, -0.0007067200000000 ] - [ 0.0000673100000000, -0.0001421800000000, -0.0004264800000000 ] - [ 0.0001033900000000, -0.0001325900000000, 0.0002246900000000 ] - [ 0.0000093500000000, 0.0000475600000000, 0.0000224000000000 ] - [ 0.0000894800000000, -0.0001293800000000, -0.0004264800000000 ] - [ -0.0002139200000000, -0.0001141700000000, 0.0000829900000000 ] - [ 0.0007080800000000, -0.0009572300000000, -0.0007067200000000 ] - [ -0.0001327700000000, -0.0000423000000000, 0.0004092700000000 ] - [ 0.0008218900000000, 0.0007455800000000, 0.0020860400000000 ] - [ 0.0000249500000000, 0.0001638400000000, 0.0004143800000000 ] - [ -0.0000431600000000, -0.0000802500000000, 0.0008275100000000 ] - [ -0.0000369200000000, 0.0000639400000000, 0.0011082800000000 ] - [ -0.0001673800000000, -0.0000201200000000, 0.0002207100000000 ] - [ -0.0004355700000000, 0.0007845700000000, -0.0031794000000000 ] - [ -0.0000706300000000, 0.0000086600000000, 0.0004187700000000 ] - [ 0.0001560400000000, -0.0000881700000000, 0.0000618900000000 ] - [ 0.0000442700000000, -0.0000766800000000, -0.0018326700000000 ] - [ 0.0004311400000000, 0.0000898200000000, -0.0009302900000000 ] - [ 0.0003623700000000, -0.0006276300000000, 0.0009761900000000 ] - [ 0.0003772200000000, 0.0000430600000000, 0.0002892000000000 ] - [ -0.0000108600000000, 0.0000188100000000, 0.0004399100000000 ] - [ -0.0003057800000000, -0.0000452600000000, 0.0005178800000000 ] - [ -0.0019228200000000, 0.0033304300000000, -0.0071242800000000 ] - [ -0.0000007100000000, -0.0000163300000000, 0.0004609600000000 ] - [ -0.0002481200000000, 0.0000530600000000, -0.0005297300000000 ] - [ 0.0001920900000000, 0.0002421800000000, 0.0005178800000000 ] - [ 0.0001279300000000, 0.0002695800000000, 0.0000488000000000 ] - [ 0.0000173800000000, 0.0000659300000000, -0.0000237800000000 ] - [ -0.0002974300000000, 0.0000240000000000, 0.0000488000000000 ] - [ 0.0000781100000000, 0.0002414100000000, -0.0005297300000000 ] - [ -0.0000657800000000, 0.0000179200000000, -0.0000237800000000 ] - [ 0.0001151800000000, -0.0001995000000000, 0.0004971700000000 ] - [ 0.0000439200000000, -0.0000760800000000, 0.0001675300000000 ] - [ -0.0002259000000000, -0.0003051500000000, 0.0002892000000000 ] - [ 0.0000145000000000, -0.0000075500000000, 0.0004609600000000 ] - [ -0.0001512200000000, 0.0002619300000000, 0.0002565800000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007147000000000, 0.0002824800000000, 0.0002474400000000 ] - [ 0.0002829900000000, -0.0004151000000000, 0.0006227200000000 ] - [ -0.0345856200000000, 0.0034404100000000, -0.0069579400000000 ] - [ 0.0002260400000000, 0.0002914200000000, -0.0003449600000000 ] - [ -0.0004154400000000, 0.0003571700000000, -0.0003365800000000 ] - [ -0.0001504000000000, -0.0001944300000000, 0.0000368800000000 ] - [ 0.0002344300000000, -0.0000234700000000, -0.0000157200000000 ] - [ -0.0002703000000000, -0.0003207300000000, -0.0003283100000000 ] - [ 0.0000403500000000, -0.0005536800000000, 0.0005959100000000 ] - [ -0.0000741000000000, 0.0001839400000000, -0.0000695300000000 ] - [ 0.0005786200000000, 0.0000173200000000, -0.0005901200000000 ] - [ 0.0001286100000000, -0.0002227600000000, -0.0000811400000000 ] - [ -0.0000962900000000, -0.0001903900000000, -0.0003090100000000 ] - [ 0.0006915300000000, -0.0000032000000000, 0.0045017800000000 ] - [ 0.0001924400000000, 0.0000844300000000, -0.0001301200000000 ] - [ 0.0001355000000000, -0.0000957800000000, 0.0019437400000000 ] - [ -0.0010927800000000, 0.0006955500000000, -0.0004244300000000 ] - [ 0.0001337800000000, -0.0002291200000000, 0.0000986800000000 ] - [ 0.0000730800000000, 0.0001540800000000, 0.0001761500000000 ] - [ -0.0000822200000000, 0.0002230200000000, -0.0003198400000000 ] - [ 0.0001703200000000, 0.0000170200000000, -0.0000669600000000 ] - [ -0.0000513500000000, 0.0001241300000000, 0.0000139000000000 ] - [ -0.0022141900000000, -0.0000624400000000, 0.0001854700000000 ] - [ 0.0018308400000000, -0.0015831200000000, 0.0001378100000000 ] - [ 0.0002559000000000, 0.0000293000000000, 0.0002218600000000 ] - [ -0.0001148100000000, -0.0002154700000000, -0.0003120600000000 ] - [ -0.0000392400000000, 0.0000682800000000, -0.0001473500000000 ] - [ 0.0002091600000000, -0.0002984100000000, 0.0002039700000000 ] - [ 0.0001556000000000, 0.0014492500000000, 0.0002053300000000 ] - [ -0.0003873100000000, 0.0005703700000000, 0.0007678800000000 ] - [ 0.0004156200000000, 0.0000021000000000, 0.0000668100000000 ] - [ 0.0004008200000000, -0.0000742300000000, -0.0004310700000000 ] - [ 0.0001101400000000, -0.0002120600000000, 0.0002233800000000 ] - [ -0.0015686100000000, 0.0013529300000000, -0.0019762300000000 ] - [ 0.0002280700000000, -0.0000259900000000, 0.0000904400000000 ] - [ 0.0000993600000000, -0.0003438400000000, 0.0000382100000000 ] - [ -0.0001928500000000, 0.0002984600000000, 0.0000224800000000 ] - [ 0.0000312000000000, 0.0002185400000000, -0.0001188600000000 ] - [ -0.0001695200000000, -0.0003016900000000, -0.0000411600000000 ] - [ 0.0002525700000000, 0.0002820200000000, -0.0004126900000000 ] - [ 0.0002407700000000, 0.0000002400000000, -0.0003090700000000 ] - [ 0.0007488900000000, -0.0000454100000000, 0.0005514200000000 ] - [ -0.0000645000000000, -0.0000719500000000, -0.0001496500000000 ] - [ -0.0001476800000000, 0.0002267100000000, 0.0000277000000000 ] - [ 0.0000377300000000, -0.0002293400000000, 0.0000903000000000 ] - [ 0.0046634000000000, -0.0039043500000000, -0.0000770500000000 ] - [ -0.0001688300000000, 0.0001983300000000, -0.0003015300000000 ] - [ -0.0001692900000000, -0.0000054200000000, -0.0002214000000000 ] - [ -0.0002152000000000, 0.0001640500000000, 0.0000024100000000 ] - [ 0.0000619600000000, 0.0000231300000000, -0.0001623200000000 ] - [ 0.0007279000000000, -0.0001982600000000, -0.0004580700000000 ] - [ 0.0004321800000000, 0.0003357800000000, 0.0001662200000000 ] - [ -0.0005157800000000, 0.0004724200000000, 0.0006968600000000 ] - [ -0.0000505200000000, 0.0001337300000000, -0.0000940100000000 ] - [ -0.0011826900000000, -0.0001608100000000, -0.0001900600000000 ] - [ 0.0001692600000000, -0.0001446000000000, 0.0000855900000000 ] - [ -0.0000902400000000, -0.0002141700000000, -0.0000183900000000 ] - [ 0.0013148600000000, -0.0005160700000000, 0.0002159700000000 ] - [ -0.0000453800000000, -0.0000777100000000, 0.0003779500000000 ] - [ -0.0000273700000000, -0.0000016400000000, 0.0001141800000000 ] - [ 0.0002674400000000, -0.0000293700000000, -0.0002978700000000 ] - [ -0.0002854300000000, -0.0001758100000000, -0.0000719500000000 ] - [ 0.0007592200000000, 0.0001211500000000, 0.0005568100000000 ] - [ 0.0009097200000000, -0.0019465300000000, 0.0000033300000000 ] - [ -0.0019467400000000, -0.0005854700000000, -0.0048779200000000 ] - [ 0.0001243900000000, -0.0000502000000000, 0.0001783200000000 ] - [ -0.0000797400000000, 0.0001071300000000, -0.0005614500000000 ] - [ 0.0001274900000000, 0.0002561600000000, -0.0000279900000000 ] - [ 0.0003840500000000, -0.0001259900000000, -0.0006412300000000 ] - [ -0.0008002600000000, -0.0026298400000000, -0.0020549600000000 ] - [ -0.0000988000000000, -0.0000091400000000, -0.0004208000000000 ] - [ 0.0001419200000000, 0.0003823800000000, -0.0014784800000000 ] - [ -0.0002789300000000, 0.0001585200000000, 0.0009438700000000 ] - [ -0.0001915100000000, -0.0000197900000000, -0.0000212200000000 ] - [ -0.0000151900000000, 0.0000902100000000, 0.0000822100000000 ] - [ 0.0002138200000000, -0.0005122700000000, -0.0002116700000000 ] - [ 0.0076186200000000, 0.0114133200000000, -0.0029287900000000 ] - [ 0.0115498000000000, 0.0038425500000000, 0.0027859200000000 ] - [ 0.0000582100000000, -0.0002308200000000, -0.0002742100000000 ] - [ 0.0013148300000000, -0.0004551700000000, 0.0004298300000000 ] - [ -0.0002212700000000, 0.0003225700000000, -0.0004263700000000 ] - [ 0.0017007800000000, -0.0003232500000000, 0.0002784900000000 ] - [ -0.0002444300000000, 0.0000044200000000, 0.0011607200000000 ] - [ -0.0002537300000000, 0.0004363500000000, 0.0003269400000000 ] - [ 0.0000998100000000, -0.0003665100000000, -0.0001540600000000 ] - [ -0.0008013400000000, 0.0002773500000000, 0.0000426900000000 ] - [ 0.0035912400000000, -0.0032109800000000, 0.0025870900000000 ] - [ 0.0000299600000000, 0.0000098300000000, -0.0000828300000000 ] - [ 0.0004953100000000, 0.0001594000000000, 0.0015540800000000 ] - [ -0.0035146000000000, -0.0019600700000000, -0.0000045700000000 ] - [ 0.0000956100000000, -0.0004154100000000, 0.0005808100000000 ] - [ 0.0000799800000000, 0.0001605200000000, -0.0003415700000000 ] - [ 0.0000764700000000, 0.0001307100000000, -0.0000488700000000 ] - [ -0.0002142600000000, 0.0000027200000000, -0.0000613800000000 ] - [ 0.0001077400000000, 0.0000819400000000, -0.0002505200000000 ] - [ 0.0001536700000000, -0.0000273400000000, -0.0011682800000000 ] - [ 0.0000396800000000, -0.0002074100000000, -0.0007291500000000 ] - [ -0.0000278400000000, -0.0039417300000000, 0.0000280100000000 ] - [ 0.0010566300000000, 0.0006954900000000, 0.0015469100000000 ] - [ -0.0010575500000000, -0.0000133500000000, -0.0005254600000000 ] - [ 0.0001287500000000, -0.0001896000000000, -0.0003149600000000 ] - [ -0.0020347500000000, -0.0007709000000000, -0.0022886100000000 ] - [ -0.0002673400000000, 0.0000207100000000, -0.0003438600000000 ] - [ 0.0004254700000000, 0.0006391600000000, -0.0004451600000000 ] - [ 0.0002035700000000, -0.0000356100000000, -0.0000750400000000 ] - [ 0.0002515100000000, 0.0002744700000000, -0.0004175100000000 ] - [ 0.0038032200000000, 0.0031043800000000, -0.0012924900000000 ] - [ -0.0000029000000000, 0.0000965000000000, 0.0000389600000000 ] - [ -0.0000587700000000, -0.0001181800000000, -0.0002064400000000 ] - [ 0.0000145500000000, 0.0001288900000000, -0.0001971800000000 ] - [ -0.0000853900000000, 0.0002304700000000, 0.0001982800000000 ] - [ -0.0001686100000000, 0.0006048700000000, 0.0011058500000000 ] - [ -0.0003015100000000, 0.0006078900000000, 0.0000774000000000 ] - [ 0.0000083300000000, -0.0000372000000000, -0.0000202200000000 ] - [ -0.0029922600000000, 0.0005303200000000, 0.0001869300000000 ] - [ -0.0000740000000000, 0.0000237600000000, 0.0008967900000000 ] - [ -0.0010616100000000, 0.0000290600000000, -0.0002436600000000 ] - [ 0.0000656100000000, -0.0000062100000000, -0.0001024900000000 ] - [ -0.0003073200000000, -0.0000321600000000, -0.0004445900000000 ] - [ 0.0000280700000000, -0.0001213600000000, -0.0003442300000000 ] - [ -0.0003208700000000, 0.0000873100000000, -0.0001309100000000 ] - [ 0.0001173300000000, 0.0003764600000000, -0.0001312300000000 ] - [ -0.0000401200000000, 0.0000677400000000, -0.0001869900000000 ] - [ -0.0030716000000000, -0.0027033400000000, 0.0006355200000000 ] - [ -0.0005731100000000, 0.0002303200000000, -0.0004352900000000 ] - [ 0.0000818800000000, -0.0001089500000000, 0.0000059100000000 ] - [ -0.0006495400000000, -0.0002182900000000, -0.0000177200000000 ] - [ -0.0001601600000000, -0.0000213400000000, -0.0003181600000000 ] - [ -0.0006778700000000, 0.0016243600000000, 0.0004768100000000 ] - [ -0.0001154900000000, 0.0002363800000000, 0.0002015500000000 ] - [ -0.0000050400000000, -0.0001484400000000, 0.0001833400000000 ] - [ 0.0000983800000000, -0.0000542700000000, -0.0002489300000000 ] - [ 0.0020270300000000, -0.0004109800000000, 0.0013398900000000 ] - [ 0.0018392100000000, 0.0012099600000000, 0.0011795900000000 ] - [ -0.0000206500000000, 0.0001161400000000, -0.0000007800000000 ] - [ -0.0008817400000000, 0.0002869600000000, 0.0001844500000000 ] - [ 0.0000873700000000, 0.0000122200000000, -0.0002087700000000 ] - [ -0.0000592300000000, -0.0001003200000000, 0.0001883200000000 ] - [ -0.0001304800000000, -0.0000654600000000, -0.0002513700000000 ] - [ -0.0000116800000000, 0.0000817600000000, -0.0001822400000000 ] - [ -0.0008640400000000, 0.0002488000000000, -0.0001219500000000 ] - [ -0.0000650400000000, 0.0000239500000000, -0.0000996800000000 ] - [ 0.0000359600000000, 0.0003150900000000, 0.0005594800000000 ] - [ 0.0004899400000000, 0.0004990800000000, 0.0003471600000000 ] - [ 0.0001678300000000, 0.0000161900000000, 0.0000722400000000 ] - [ 0.0005343500000000, -0.0004690700000000, 0.0002534500000000 ] - [ -0.0001628000000000, 0.0005789600000000, 0.0001202200000000 ] - [ -0.0000172600000000, -0.0000849200000000, 0.0000283300000000 ] - [ -0.0000887400000000, -0.0001629200000000, 0.0001430300000000 ] - [ 0.0000815400000000, -0.0002724400000000, -0.0003457600000000 ] - [ -0.0011769700000000, -0.0022148500000000, 0.0025624200000000 ] - [ -0.0000160600000000, -0.0001117700000000, -0.0002874700000000 ] - [ 0.0000126300000000, -0.0000293500000000, 0.0008576100000000 ] - [ 0.0002467200000000, -0.0005944000000000, -0.0003382300000000 ] - [ 0.0002594100000000, 0.0007514200000000, -0.0004002800000000 ] - [ 0.0003103800000000, -0.0004823300000000, -0.0004264500000000 ] - [ 0.0000541400000000, 0.0001104400000000, -0.0003286900000000 ] - [ -0.0007789300000000, 0.0000576800000000, -0.0004357400000000 ] - [ 0.0000181000000000, -0.0001678200000000, -0.0002535600000000 ] - [ 0.0004733200000000, -0.0007899400000000, -0.0004947500000000 ] - [ 0.0002368800000000, -0.0001211300000000, 0.0001001500000000 ] - [ -0.0001976400000000, 0.0003823300000000, 0.0001858500000000 ] - [ -0.0006368900000000, 0.0005165100000000, -0.0000495500000000 ] - [ -0.0001605000000000, -0.0001886100000000, 0.0011973100000000 ] - [ 0.0000201000000000, -0.0000042200000000, -0.0000121800000000 ] - [ -0.0000465500000000, -0.0000754900000000, 0.0001671500000000 ] - [ -0.0003173000000000, 0.0003298400000000, 0.0001884100000000 ] - [ 0.0002084000000000, -0.0002340600000000, 0.0001603900000000 ] - [ 0.0060085000000000, -0.0011759200000000, 0.0021782700000000 ] - [ 0.0027867000000000, -0.0004079900000000, 0.0007420800000000 ] - [ -0.0005802600000000, 0.0001900600000000, 0.0001327100000000 ] - [ -0.0000036000000000, 0.0000146400000000, -0.0000107800000000 ] - [ -0.0000031200000000, -0.0006543900000000, 0.0001278500000000 ] - [ 0.0000658600000000, 0.0000045800000000, 0.0000301800000000 ] - [ -0.0005364600000000, 0.0000518600000000, 0.0002472800000000 ] - [ -0.0000967000000000, 0.0002014200000000, 0.0000172300000000 ] - [ -0.0000021000000000, -0.0000403700000000, 0.0000950600000000 ] - [ -0.0000268200000000, -0.0001779700000000, 0.0004348700000000 ] - [ 0.0001599500000000, 0.0001981600000000, 0.0001937900000000 ] - [ 0.0000210800000000, 0.0000059200000000, -0.0000778900000000 ] - [ 0.0000084800000000, 0.0000014200000000, -0.0003128200000000 ] - [ -0.0000320400000000, -0.0000332300000000, 0.0000517300000000 ] - [ 0.0000877300000000, -0.0000711400000000, -0.0003938400000000 ] - [ 0.0000054900000000, -0.0000099700000000, -0.0003721900000000 ] - [ 0.0005646000000000, -0.0002138900000000, -0.0003719600000000 ] - [ -0.0000027900000000, 0.0000215300000000, -0.0003458200000000 ] - [ -0.0008305300000000, 0.0003692100000000, 0.0001189300000000 ] - [ -0.0000881200000000, 0.0000153100000000, 0.0000967400000000 ] - [ 0.0059940900000000, -0.0037709500000000, 0.0032606400000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006617300000000, 0.0001380900000000, 0.0001811300000000 ] - [ -0.0003973200000000, 0.0006445800000000, -0.0002881000000000 ] - [ 0.0348979500000000, -0.0034954200000000, 0.0074105200000000 ] - [ -0.0002098700000000, -0.0005700100000000, 0.0005981500000000 ] - [ 0.0001680700000000, 0.0000858400000000, -0.0001040900000000 ] - [ -0.0000699400000000, -0.0001902400000000, -0.0000446300000000 ] - [ 0.0002184800000000, 0.0000287900000000, 0.0000041600000000 ] - [ 0.0000128400000000, -0.0001256500000000, -0.0001100800000000 ] - [ -0.0001651900000000, 0.0007974500000000, -0.0004822000000000 ] - [ -0.0001609200000000, 0.0002053700000000, 0.0000574600000000 ] - [ -0.0005653600000000, 0.0002750100000000, 0.0008396100000000 ] - [ -0.0002673400000000, -0.0002136400000000, -0.0001682500000000 ] - [ -0.0001026300000000, -0.0002154200000000, -0.0002783400000000 ] - [ -0.0006502200000000, -0.0001524700000000, -0.0040253600000000 ] - [ 0.0002378000000000, -0.0001916400000000, -0.0001263200000000 ] - [ -0.0002583800000000, -0.0001137100000000, -0.0015950600000000 ] - [ 0.0013525800000000, -0.0006770800000000, 0.0007605700000000 ] - [ 0.0001110200000000, 0.0003845000000000, 0.0001457900000000 ] - [ -0.0001029000000000, 0.0001410500000000, -0.0000618800000000 ] - [ -0.0001124800000000, 0.0002058000000000, -0.0002682700000000 ] - [ 0.0002841500000000, -0.0000257700000000, 0.0000549800000000 ] - [ 0.0003208000000000, -0.0000022400000000, 0.0000993600000000 ] - [ 0.0022649700000000, -0.0003937200000000, 0.0002398400000000 ] - [ -0.0017063100000000, 0.0015731900000000, 0.0001411700000000 ] - [ 0.0000238200000000, -0.0000216600000000, 0.0003629900000000 ] - [ -0.0001366700000000, -0.0001594300000000, -0.0002757100000000 ] - [ -0.0000692400000000, 0.0001366800000000, -0.0001857800000000 ] - [ -0.0003618600000000, 0.0002451100000000, 0.0002965200000000 ] - [ 0.0001799800000000, -0.0011962900000000, 0.0002232400000000 ] - [ 0.0004061200000000, -0.0004114300000000, -0.0002731900000000 ] - [ 0.0003329800000000, -0.0000140900000000, -0.0000260000000000 ] - [ 0.0001057600000000, 0.0000811000000000, -0.0000115700000000 ] - [ 0.0000198500000000, 0.0003077300000000, 0.0002729200000000 ] - [ 0.0016809000000000, -0.0014654500000000, 0.0024785200000000 ] - [ 0.0002093400000000, 0.0001300100000000, -0.0003479600000000 ] - [ -0.0003450500000000, 0.0002208000000000, 0.0002129500000000 ] - [ -0.0001914400000000, 0.0003437200000000, 0.0000187500000000 ] - [ -0.0001594100000000, 0.0002101900000000, -0.0001381600000000 ] - [ -0.0002080200000000, -0.0003519600000000, 0.0000783700000000 ] - [ -0.0003848600000000, -0.0005098200000000, 0.0005281900000000 ] - [ 0.0002279300000000, 0.0000451300000000, -0.0002793900000000 ] - [ -0.0005138700000000, -0.0001368600000000, -0.0003016500000000 ] - [ -0.0000458300000000, -0.0001188800000000, -0.0001910200000000 ] - [ -0.0000741000000000, 0.0001680700000000, -0.0000393200000000 ] - [ -0.0000697300000000, -0.0000742900000000, 0.0000141800000000 ] - [ -0.0043691000000000, 0.0037044800000000, 0.0005061200000000 ] - [ -0.0001180000000000, 0.0001665400000000, -0.0002846500000000 ] - [ -0.0000764100000000, -0.0001729700000000, 0.0003262900000000 ] - [ -0.0000190300000000, 0.0000112700000000, 0.0001107500000000 ] - [ 0.0001707400000000, -0.0000144800000000, -0.0001713100000000 ] - [ -0.0008856900000000, 0.0002561800000000, 0.0009490600000000 ] - [ -0.0008187700000000, -0.0001694500000000, 0.0002600700000000 ] - [ 0.0002381800000000, -0.0003598400000000, -0.0004479300000000 ] - [ -0.0002573000000000, 0.0001857500000000, -0.0001627700000000 ] - [ 0.0011231700000000, 0.0000571200000000, 0.0004587400000000 ] - [ 0.0001004600000000, 0.0000291300000000, 0.0000267100000000 ] - [ -0.0001327700000000, -0.0001694300000000, 0.0000107000000000 ] - [ -0.0017142000000000, 0.0003459600000000, 0.0002101900000000 ] - [ -0.0000947700000000, -0.0001645300000000, 0.0002050800000000 ] - [ -0.0001052600000000, 0.0002472700000000, 0.0004688600000000 ] - [ 0.0001918800000000, -0.0000362900000000, -0.0002882200000000 ] - [ -0.0000235100000000, -0.0001630600000000, -0.0001764000000000 ] - [ -0.0004832500000000, -0.0001107400000000, -0.0004465000000000 ] - [ -0.0008596400000000, 0.0018557000000000, 0.0005894900000000 ] - [ 0.0018788600000000, 0.0007025000000000, 0.0050801400000000 ] - [ -0.0001173500000000, 0.0000455300000000, -0.0000158800000000 ] - [ 0.0000790400000000, -0.0001086200000000, -0.0004283700000000 ] - [ 0.0001534500000000, 0.0002311700000000, -0.0000721800000000 ] - [ -0.0003837500000000, 0.0001269500000000, -0.0003478600000000 ] - [ 0.0007599000000000, 0.0026576500000000, 0.0029560600000000 ] - [ 0.0000984100000000, 0.0000091900000000, -0.0002547400000000 ] - [ 0.0000922900000000, 0.0000270200000000, 0.0010072500000000 ] - [ -0.0001848100000000, -0.0001585500000000, -0.0014214400000000 ] - [ -0.0003749300000000, 0.0000197000000000, -0.0000783300000000 ] - [ 0.0000069300000000, -0.0000866400000000, 0.0000810400000000 ] - [ 0.0000178200000000, 0.0001098300000000, -0.0002623900000000 ] - [ -0.0077823900000000, -0.0114391300000000, 0.0034972400000000 ] - [ -0.0114759600000000, -0.0036566500000000, -0.0022132100000000 ] - [ 0.0002248400000000, -0.0002592800000000, 0.0001726000000000 ] - [ -0.0011857100000000, 0.0004489300000000, -0.0001904600000000 ] - [ 0.0002334800000000, -0.0003364900000000, -0.0001682500000000 ] - [ -0.0017154300000000, 0.0003347900000000, -0.0008799000000000 ] - [ 0.0002449500000000, -0.0000028300000000, -0.0004629400000000 ] - [ 0.0001889100000000, -0.0005519500000000, -0.0000885700000000 ] - [ -0.0000996400000000, 0.0003639000000000, -0.0000851700000000 ] - [ 0.0007998300000000, -0.0002825300000000, -0.0002842800000000 ] - [ -0.0035766500000000, 0.0031406700000000, -0.0022078200000000 ] - [ 0.0000872100000000, -0.0002091500000000, 0.0003371300000000 ] - [ -0.0000740900000000, 0.0000126700000000, -0.0010008700000000 ] - [ 0.0041360800000000, 0.0019477100000000, 0.0004341900000000 ] - [ -0.0000948800000000, 0.0004158100000000, 0.0004853500000000 ] - [ 0.0001169500000000, 0.0001138800000000, -0.0003075700000000 ] - [ 0.0000806500000000, 0.0001414000000000, -0.0000453200000000 ] - [ -0.0000909300000000, 0.0000050300000000, -0.0000317900000000 ] - [ 0.0001605100000000, 0.0000691300000000, -0.0002479400000000 ] - [ -0.0001551500000000, 0.0000245200000000, 0.0003535300000000 ] - [ 0.0000420600000000, 0.0002033600000000, 0.0011826700000000 ] - [ -0.0004752300000000, 0.0043540300000000, 0.0003499300000000 ] - [ 0.0000665300000000, -0.0006894100000000, -0.0007331000000000 ] - [ -0.0006049800000000, -0.0000394900000000, -0.0004440000000000 ] - [ 0.0000732100000000, -0.0000868600000000, -0.0003351600000000 ] - [ 0.0019364600000000, 0.0006004400000000, 0.0020873000000000 ] - [ -0.0000727300000000, 0.0000158100000000, -0.0003059500000000 ] - [ 0.0004443200000000, 0.0007702700000000, -0.0005248500000000 ] - [ -0.0004345500000000, 0.0000371400000000, 0.0003292200000000 ] - [ 0.0000176700000000, 0.0001695400000000, 0.0001715100000000 ] - [ -0.0029113400000000, -0.0025924000000000, 0.0016314500000000 ] - [ -0.0001209400000000, 0.0001175900000000, -0.0000339700000000 ] - [ -0.0000745800000000, -0.0001129000000000, -0.0001669400000000 ] - [ -0.0000178800000000, 0.0001787600000000, -0.0003009500000000 ] - [ 0.0000403500000000, -0.0001611200000000, 0.0002516900000000 ] - [ 0.0003943900000000, -0.0009874700000000, -0.0014305100000000 ] - [ 0.0002077800000000, -0.0004604500000000, -0.0002766300000000 ] - [ -0.0000060800000000, 0.0000400300000000, -0.0000106400000000 ] - [ 0.0029079400000000, 0.0000599400000000, 0.0001881100000000 ] - [ 0.0000709300000000, -0.0000278700000000, 0.0007308600000000 ] - [ 0.0006112300000000, -0.0000243600000000, -0.0000943200000000 ] - [ 0.0000497000000000, 0.0002054600000000, 0.0003556800000000 ] - [ 0.0000943400000000, 0.0000236100000000, 0.0001104400000000 ] - [ 0.0001065900000000, -0.0001816300000000, -0.0003023700000000 ] - [ -0.0002010400000000, -0.0000806700000000, -0.0001153600000000 ] - [ 0.0001327200000000, 0.0000797800000000, -0.0001153300000000 ] - [ -0.0002192400000000, 0.0000971400000000, -0.0003134600000000 ] - [ 0.0027735100000000, 0.0021533800000000, -0.0002021000000000 ] - [ 0.0007047000000000, -0.0002222900000000, -0.0000763200000000 ] - [ 0.0000775400000000, -0.0001517500000000, -0.0000988600000000 ] - [ 0.0005708100000000, 0.0000711800000000, 0.0003372600000000 ] - [ -0.0001694100000000, -0.0000134900000000, -0.0003284700000000 ] - [ 0.0003585500000000, -0.0010839500000000, -0.0000508900000000 ] - [ -0.0002591700000000, 0.0000392000000000, 0.0003471900000000 ] - [ 0.0002627200000000, -0.0003287300000000, -0.0004310000000000 ] - [ 0.0001741400000000, -0.0000879800000000, -0.0002518500000000 ] - [ -0.0023777800000000, 0.0001408200000000, -0.0007908100000000 ] - [ -0.0023750400000000, -0.0002612500000000, -0.0003824400000000 ] - [ -0.0001098400000000, 0.0001241400000000, -0.0003678200000000 ] - [ 0.0008826300000000, -0.0002902200000000, 0.0008861100000000 ] - [ 0.0001865300000000, -0.0000050700000000, -0.0001614500000000 ] - [ -0.0000273000000000, 0.0002575600000000, 0.0001255300000000 ] - [ -0.0001305600000000, -0.0000913700000000, -0.0002465700000000 ] - [ 0.0001106400000000, -0.0002703500000000, -0.0001532000000000 ] - [ 0.0010403100000000, -0.0002480100000000, 0.0004379900000000 ] - [ 0.0000662800000000, -0.0000208400000000, 0.0000693100000000 ] - [ -0.0000266200000000, -0.0003203100000000, -0.0014440900000000 ] - [ -0.0010378200000000, -0.0014628300000000, 0.0004549600000000 ] - [ 0.0000798800000000, -0.0000165100000000, -0.0000671600000000 ] - [ -0.0001094500000000, 0.0002842800000000, 0.0002951100000000 ] - [ 0.0000895900000000, -0.0011990600000000, 0.0002550700000000 ] - [ -0.0001049100000000, -0.0001269700000000, -0.0000235800000000 ] - [ 0.0001908700000000, 0.0003391100000000, -0.0004767600000000 ] - [ -0.0001429500000000, 0.0001675300000000, -0.0001635200000000 ] - [ 0.0013609700000000, 0.0022205000000000, -0.0027719300000000 ] - [ 0.0002416400000000, 0.0005025800000000, -0.0000512300000000 ] - [ -0.0000143100000000, 0.0000248600000000, 0.0007702000000000 ] - [ 0.0006185600000000, -0.0008219400000000, -0.0006313400000000 ] - [ 0.0005255500000000, 0.0007054900000000, -0.0005693300000000 ] - [ -0.0000440600000000, 0.0000335000000000, 0.0001809700000000 ] - [ 0.0000852300000000, 0.0001974800000000, -0.0003206500000000 ] - [ -0.0008793900000000, -0.0000155000000000, -0.0005330800000000 ] - [ -0.0000231300000000, -0.0001368900000000, -0.0002445100000000 ] - [ 0.0003124700000000, -0.0006753900000000, -0.0004737900000000 ] - [ -0.0003222000000000, -0.0000162700000000, 0.0002171800000000 ] - [ 0.0007860800000000, -0.0006228000000000, 0.0001897400000000 ] - [ 0.0005539900000000, -0.0003837300000000, 0.0003707500000000 ] - [ 0.0001174100000000, 0.0001114600000000, -0.0007426600000000 ] - [ -0.0000229500000000, -0.0000010200000000, -0.0000679200000000 ] - [ -0.0004934600000000, 0.0000597900000000, -0.0004149300000000 ] - [ 0.0002611800000000, 0.0001308300000000, 0.0003587300000000 ] - [ -0.0000485000000000, 0.0002300500000000, 0.0001590100000000 ] - [ -0.0070951100000000, 0.0005433300000000, -0.0018660800000000 ] - [ -0.0028583800000000, 0.0005502200000000, -0.0012067700000000 ] - [ 0.0005230400000000, -0.0006306700000000, 0.0004118500000000 ] - [ 0.0000459700000000, -0.0001007300000000, -0.0000373500000000 ] - [ -0.0001146400000000, 0.0004528000000000, 0.0000719400000000 ] - [ -0.0000692800000000, -0.0000215900000000, 0.0001264500000000 ] - [ 0.0000794800000000, -0.0000454100000000, 0.0000907900000000 ] - [ 0.0001234200000000, -0.0002491700000000, 0.0000152200000000 ] - [ -0.0000009100000000, 0.0000347700000000, 0.0000606500000000 ] - [ -0.0000292000000000, 0.0001767300000000, -0.0004042900000000 ] - [ 0.0000726300000000, 0.0002045100000000, 0.0001420900000000 ] - [ 0.0000217700000000, 0.0000681200000000, 0.0000232300000000 ] - [ 0.0000090400000000, 0.0000287800000000, -0.0003903300000000 ] - [ -0.0000641800000000, 0.0000271000000000, -0.0001005100000000 ] - [ -0.0000604900000000, 0.0001163700000000, 0.0004224300000000 ] - [ -0.0000206500000000, 0.0000173200000000, -0.0003355600000000 ] - [ -0.0003325100000000, -0.0001789900000000, 0.0007051400000000 ] - [ 0.0000166200000000, -0.0000309600000000, -0.0003618100000000 ] - [ 0.0010691100000000, -0.0003637700000000, 0.0000796500000000 ] - [ 0.0000751200000000, -0.0000267200000000, 0.0000604600000000 ] - [ -0.0061412800000000, 0.0041046000000000, -0.0031598800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000015300000000, 0.0001616300000000, -0.0003586600000000 ] - [ 0.0002414600000000, -0.0004182200000000, 0.0005436900000000 ] - [ -0.0071477000000000, 0.0123801700000000, -0.0274016500000000 ] - [ -0.0000686100000000, -0.0002141200000000, 0.0000358300000000 ] - [ -0.0000085600000000, 0.0000148200000000, 0.0008984700000000 ] - [ -0.0000765300000000, -0.0002200700000000, 0.0004608400000000 ] - [ 0.0002302400000000, 0.0000407600000000, 0.0003586400000000 ] - [ 0.0000504700000000, 0.0001857400000000, 0.0003186200000000 ] - [ 0.0004672600000000, -0.0008093100000000, 0.0001703900000000 ] - [ -0.0001646400000000, 0.0001976300000000, 0.0003859700000000 ] - [ -0.0007101100000000, -0.0001076200000000, 0.0001069600000000 ] - [ -0.0001189200000000, -0.0002711500000000, 0.0000342700000000 ] - [ -0.0000841400000000, -0.0001989100000000, 0.0000586800000000 ] - [ 0.0042674700000000, 0.0000922800000000, 0.0036863500000000 ] - [ 0.0002942800000000, -0.0000325800000000, 0.0000342700000000 ] - [ 0.0016647000000000, -0.0001550100000000, 0.0015020400000000 ] - [ -0.0006981100000000, -0.0015191800000000, 0.0015020400000000 ] - [ 0.0001597100000000, 0.0005974500000000, 0.0000347700000000 ] - [ 0.0001390300000000, 0.0001046200000000, 0.0003277400000000 ] - [ -0.0001122900000000, 0.0001869900000000, 0.0000793500000000 ] - [ 0.0002288600000000, -0.0000437600000000, 0.0004608400000000 ] - [ 0.0003811000000000, 0.0001589500000000, 0.0007803300000000 ] - [ 0.0000384000000000, 0.0001146700000000, -0.0024276800000000 ] - [ 0.0003896000000000, 0.0001904700000000, -0.0014959500000000 ] - [ 0.0000216100000000, -0.0000291100000000, 0.0005221900000000 ] - [ -0.0001560700000000, -0.0001606100000000, 0.0000682700000000 ] - [ -0.0000697100000000, 0.0001207400000000, 0.0002399700000000 ] - [ -0.0004698500000000, 0.0002739000000000, -0.0001006400000000 ] - [ 0.0001409100000000, 0.0001156100000000, -0.0003739600000000 ] - [ 0.0005150100000000, 0.0005645400000000, -0.0000368200000000 ] - [ 0.0004074700000000, 0.0000005600000000, 0.0003892200000000 ] - [ -0.0001860900000000, 0.0000491600000000, 0.0003186200000000 ] - [ -0.0000022800000000, 0.0005438600000000, -0.0001006400000000 ] - [ -0.0022136500000000, -0.0036496000000000, 0.0036863500000000 ] - [ 0.0005453700000000, -0.0000508700000000, 0.0002687400000000 ] - [ -0.0005972700000000, 0.0001604100000000, 0.0000347700000000 ] - [ -0.0001808000000000, 0.0003131600000000, 0.0004168500000000 ] - [ -0.0000975800000000, 0.0002816900000000, 0.0000275400000000 ] - [ -0.0002042200000000, -0.0003526000000000, 0.0003892200000000 ] - [ -0.0001355200000000, -0.0001592600000000, -0.0002473700000000 ] - [ 0.0002171300000000, 0.0000548600000000, 0.0000682700000000 ] - [ 0.0002197400000000, -0.0000476400000000, 0.0000358300000000 ] - [ -0.0000377700000000, -0.0001318100000000, 0.0002661200000000 ] - [ -0.0000888300000000, 0.0002414000000000, 0.0003859700000000 ] - [ 0.0000790200000000, -0.0001018800000000, 0.0002994700000000 ] - [ -0.0001185100000000, 0.0000240800000000, -0.0024276800000000 ] - [ -0.0001057900000000, 0.0001907400000000, 0.0000793500000000 ] - [ -0.0003282000000000, -0.0002505700000000, 0.0007803300000000 ] - [ -0.0001601200000000, -0.0000681000000000, 0.0003277400000000 ] - [ 0.0001330300000000, -0.0000331900000000, 0.0002661200000000 ] - [ -0.0007464100000000, -0.0001637400000000, -0.0000368200000000 ] - [ -0.0001392100000000, 0.0000821400000000, -0.0003586600000000 ] - [ 0.0004482600000000, 0.0005611600000000, 0.0001069600000000 ] - [ -0.0001951600000000, 0.0002253500000000, 0.0000275400000000 ] - [ -0.0003597500000000, -0.0002421700000000, -0.0014959500000000 ] - [ 0.0000487200000000, -0.0001193700000000, 0.0002994700000000 ] - [ -0.0001504200000000, -0.0001790100000000, 0.0003586400000000 ] - [ -0.0001705800000000, -0.0000642300000000, -0.0003739600000000 ] - [ 0.0000144000000000, -0.0000332600000000, 0.0005221900000000 ] - [ -0.0001930300000000, 0.0003343500000000, 0.0008884600000000 ] - [ 0.0002143300000000, -0.0000265900000000, 0.0000586800000000 ] - [ -0.0002286200000000, -0.0004977400000000, 0.0002687400000000 ] - [ 0.0002056800000000, 0.0000377400000000, -0.0002473700000000 ] - [ 0.0002863600000000, -0.0004959900000000, -0.0018818200000000 ] - [ -0.0017198500000000, 0.0029788700000000, 0.0098612500000000 ] - [ 0.0000006500000000, -0.0000300600000000, 0.0009842700000000 ] - [ 0.0001277200000000, 0.0003318400000000, 0.0004020100000000 ] - [ 0.0001353400000000, 0.0002394400000000, 0.0008546100000000 ] - [ -0.0003512400000000, 0.0000553100000000, 0.0004020100000000 ] - [ -0.0060296400000000, 0.0104436400000000, 0.0045337300000000 ] - [ -0.0000432700000000, 0.0000749500000000, 0.0010658100000000 ] - [ -0.0004987300000000, -0.0001279200000000, 0.0008046100000000 ] - [ 0.0003601500000000, 0.0003679500000000, 0.0008046100000000 ] - [ -0.0002750400000000, 0.0000025100000000, 0.0008546100000000 ] - [ 0.0000257000000000, -0.0000155900000000, 0.0009842700000000 ] - [ 0.0000819900000000, -0.0001420200000000, 0.0001475800000000 ] - [ -0.0001196300000000, 0.0008118400000000, -0.0038464900000000 ] - [ -0.0006432600000000, 0.0005095300000000, -0.0038464900000000 ] - [ 0.0001473900000000, -0.0002552900000000, 0.0014650400000000 ] - [ 0.0005213300000000, -0.0000807900000000, -0.0004219200000000 ] - [ -0.0004945200000000, -0.0009962200000000, -0.0016022900000000 ] - [ 0.0011100100000000, -0.0000698400000000, -0.0016022900000000 ] - [ 0.0001553700000000, -0.0002691200000000, 0.0022248700000000 ] - [ -0.0001907000000000, -0.0004918800000000, -0.0004219200000000 ] - [ -0.0001489700000000, -0.0002961300000000, 0.0002369000000000 ] - [ 0.0003309400000000, -0.0000190500000000, 0.0002369000000000 ] - [ 0.0022935100000000, -0.0039724800000000, 0.0048057400000000 ] - [ -0.0001520300000000, 0.0002633200000000, -0.0004630500000000 ] - [ 0.0011769400000000, 0.0004017900000000, -0.0018353000000000 ] - [ 0.0002296900000000, -0.0003539500000000, 0.0009600900000000 ] - [ 0.0000873100000000, 0.0002212100000000, 0.0014534700000000 ] - [ 0.0001489400000000, 0.0002324200000000, -0.0006600700000000 ] - [ 0.0001299300000000, 0.0002311700000000, -0.0003855500000000 ] - [ -0.0002651600000000, 0.0000030600000000, -0.0003855500000000 ] - [ 0.0001830500000000, 0.0001435600000000, -0.0005819000000000 ] - [ -0.0001473400000000, 0.0002552100000000, -0.0016870400000000 ] - [ -0.0004440500000000, -0.0002723200000000, -0.0003716100000000 ] - [ -0.0005571400000000, 0.0000735200000000, 0.0013353800000000 ] - [ 0.0035980300000000, -0.0018150100000000, 0.0007602800000000 ] - [ -0.0007788900000000, -0.0000401300000000, -0.0006854300000000 ] - [ 0.0001373400000000, -0.0002003400000000, -0.0006656000000000 ] - [ -0.0004280300000000, -0.0006128800000000, 0.0025365500000000 ] - [ -0.0002577200000000, 0.0000217800000000, -0.0006595400000000 ] - [ 0.0004242000000000, 0.0006544700000000, -0.0006854300000000 ] - [ 0.0000537900000000, 0.0001130200000000, -0.0004445700000000 ] - [ -0.0001459900000000, 0.0000790900000000, -0.0005104300000000 ] - [ 0.0001060000000000, -0.0006999800000000, 0.0033441700000000 ] - [ 0.0000272100000000, -0.0000471400000000, -0.0005419100000000 ] - [ -0.0000658100000000, -0.0001076200000000, -0.0007680600000000 ] - [ 0.0000799600000000, 0.0003210600000000, -0.0007409200000000 ] - [ 0.0000314100000000, -0.0000544100000000, 0.0000707300000000 ] - [ 0.0013668500000000, -0.0023674500000000, -0.0024449600000000 ] - [ -0.0001230800000000, 0.0002131900000000, 0.0013203700000000 ] - [ -0.0000008400000000, 0.0000291000000000, -0.0005778100000000 ] - [ 0.0002148900000000, 0.0005192600000000, 0.0013353800000000 ] - [ 0.0000575400000000, -0.0000114600000000, 0.0001794100000000 ] - [ -0.0003141000000000, 0.0000380100000000, -0.0000999500000000 ] - [ -0.0001247700000000, 0.0000099300000000, -0.0004445700000000 ] - [ -0.0005279700000000, -0.0000504500000000, -0.0005224700000000 ] - [ 0.0001048300000000, -0.0002191100000000, -0.0006656000000000 ] - [ -0.0002885700000000, -0.0001061000000000, -0.0003234400000000 ] - [ 0.0002361700000000, 0.0001968600000000, -0.0003234400000000 ] - [ -0.0003180200000000, 0.0000912800000000, -0.0007409200000000 ] - [ 0.0001916800000000, -0.0003758900000000, 0.0009600900000000 ] - [ -0.0001628000000000, 0.0000040900000000, 0.0002436000000000 ] - [ 0.0001827200000000, -0.0003164800000000, -0.0005460600000000 ] - [ -0.0002017600000000, -0.0000800900000000, 0.0004398300000000 ] - [ -0.0002757500000000, -0.0000127800000000, -0.0006600700000000 ] - [ -0.0004654500000000, 0.0008061800000000, 0.0012884900000000 ] - [ -0.0000129400000000, 0.0003139700000000, 0.0003553100000000 ] - [ 0.0003783900000000, -0.0002766400000000, -0.0004699100000000 ] - [ 0.0001813100000000, -0.0001457600000000, -0.0005861600000000 ] - [ -0.0009364200000000, -0.0008183600000000, -0.0018353000000000 ] - [ 0.0019160900000000, -0.0033187700000000, 0.0005226300000000 ] - [ -0.0000589400000000, 0.0001020900000000, -0.0012526000000000 ] - [ -0.0002352300000000, 0.0000349900000000, 0.0014534700000000 ] - [ 0.0001261100000000, 0.0000031900000000, -0.0007680600000000 ] - [ 0.0000068200000000, 0.0003009700000000, 0.0004254200000000 ] - [ -0.0002158500000000, -0.0000867400000000, -0.0005819000000000 ] - [ 0.0000328200000000, -0.0000568400000000, -0.0003964800000000 ] - [ -0.0009641100000000, 0.0001393400000000, 0.0003842400000000 ] - [ -0.0000247800000000, 0.0000152800000000, -0.0005778100000000 ] - [ 0.0011437500000000, -0.0019810400000000, -0.0035107700000000 ] - [ -0.0002271700000000, -0.0040234900000000, 0.0007602800000000 ] - [ 0.0000272800000000, -0.0000204800000000, -0.0004908200000000 ] - [ 0.0002646300000000, 0.0002518800000000, 0.0003625600000000 ] - [ -0.0002520600000000, -0.0003072500000000, 0.0009690500000000 ] - [ 0.0000041000000000, -0.0000338700000000, -0.0004908200000000 ] - [ 0.0003076700000000, 0.0004320100000000, -0.0005224700000000 ] - [ 0.0000778600000000, 0.0001430400000000, 0.0002436000000000 ] - [ 0.0007447800000000, 0.0000642500000000, 0.0025365500000000 ] - [ 0.0001241300000000, 0.0002910200000000, -0.0000999500000000 ] - [ -0.0000188500000000, -0.0000555600000000, 0.0001794100000000 ] - [ 0.0007154100000000, -0.0008394500000000, -0.0008459200000000 ] - [ 0.0006288500000000, 0.0008184100000000, -0.0008183500000000 ] - [ 0.0000503800000000, -0.0004660200000000, -0.0004699100000000 ] - [ 0.0001100000000000, 0.0002340800000000, -0.0006595400000000 ] - [ -0.0010231900000000, -0.0001354000000000, -0.0008183500000000 ] - [ 0.0000355700000000, -0.0002299000000000, -0.0005861600000000 ] - [ 0.0003692800000000, -0.0010392900000000, -0.0008459200000000 ] - [ 0.0003613800000000, 0.0009046100000000, 0.0003842400000000 ] - [ 0.0003921100000000, 0.0000646700000000, 0.0009690500000000 ] - [ -0.0002640600000000, 0.0001445800000000, 0.0004254200000000 ] - [ 0.0004578600000000, 0.0002483900000000, -0.0003716100000000 ] - [ 0.0000044200000000, -0.0000076600000000, -0.0009281000000000 ] - [ 0.0000045000000000, 0.0001659700000000, -0.0005104300000000 ] - [ -0.0002654400000000, 0.0001682000000000, 0.0003553100000000 ] - [ 0.0001702400000000, 0.0001346800000000, 0.0004398300000000 ] - [ 0.0005532000000000, -0.0004417900000000, 0.0033441700000000 ] - [ -0.0002931900000000, 0.0005078100000000, 0.0004794000000000 ] - [ -0.0003504500000000, -0.0001032300000000, 0.0003625600000000 ] - [ 0.0000335000000000, -0.0000580200000000, -0.0003481500000000 ] - [ -0.0001169700000000, -0.0002771100000000, 0.0006734300000000 ] - [ -0.0000397100000000, 0.0000687800000000, -0.0004370400000000 ] - [ 0.0000798500000000, -0.0000259000000000, 0.0001083100000000 ] - [ 0.0001080500000000, -0.0001871500000000, -0.0001362900000000 ] - [ 0.0000003600000000, -0.0000340600000000, -0.0002387000000000 ] - [ 0.0003088900000000, 0.0003374200000000, -0.0002204600000000 ] - [ -0.0000174900000000, -0.0000821100000000, 0.0001083100000000 ] - [ -0.0000497000000000, 0.0000070500000000, -0.0003718400000000 ] - [ 0.0000050000000000, 0.0000258000000000, -0.0007418800000000 ] - [ 0.0000187500000000, 0.0000465700000000, -0.0003718400000000 ] - [ -0.0004466600000000, -0.0000988000000000, -0.0002204600000000 ] - [ -0.0000248400000000, 0.0000085700000000, -0.0007418800000000 ] - [ -0.0002959900000000, 0.0005126700000000, -0.0009765100000000 ] - [ 0.0000149600000000, -0.0000259000000000, -0.0007131700000000 ] - [ 0.0002984600000000, -0.0000372500000000, 0.0006734300000000 ] - [ 0.0000293200000000, -0.0000173400000000, -0.0002387000000000 ] - [ 0.0030264500000000, -0.0052419600000000, 0.0081281900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000492800000000, 0.0002588700000000, 0.0007893500000000 ] - [ -0.0003688700000000, 0.0006389100000000, -0.0002126600000000 ] - [ 0.0072184300000000, -0.0125026900000000, 0.0279021600000000 ] - [ 0.0000980000000000, -0.0000719100000000, 0.0002095700000000 ] - [ -0.0002455000000000, 0.0004252200000000, -0.0013461100000000 ] - [ -0.0001444300000000, -0.0001705400000000, -0.0004710300000000 ] - [ 0.0002174300000000, -0.0000384500000000, -0.0003683600000000 ] - [ -0.0003099700000000, -0.0006284100000000, -0.0007614300000000 ] - [ -0.0006057000000000, 0.0010490900000000, -0.0000472100000000 ] - [ -0.0000670700000000, 0.0001918600000000, -0.0003978600000000 ] - [ 0.0007339000000000, 0.0003994700000000, 0.0001356400000000 ] - [ -0.0000108900000000, -0.0001583900000000, -0.0002883500000000 ] - [ -0.0001037600000000, -0.0002216300000000, -0.0006456600000000 ] - [ -0.0042895800000000, -0.0002526800000000, -0.0032145700000000 ] - [ 0.0001426100000000, -0.0000697700000000, -0.0002883500000000 ] - [ -0.0017781500000000, -0.0000582600000000, -0.0011552900000000 ] - [ 0.0009395300000000, 0.0015107900000000, -0.0011552900000000 ] - [ 0.0000787300000000, -0.0004403900000000, 0.0002107200000000 ] - [ -0.0001699900000000, 0.0001855000000000, -0.0002141800000000 ] - [ -0.0000735300000000, 0.0002448700000000, -0.0006665400000000 ] - [ 0.0002199100000000, 0.0000398100000000, -0.0004710300000000 ] - [ -0.0001079600000000, -0.0000365100000000, -0.0006677800000000 ] - [ 0.0000120400000000, -0.0005657000000000, 0.0028505200000000 ] - [ -0.0002687900000000, -0.0001820400000000, 0.0017758000000000 ] - [ 0.0002560400000000, 0.0000327700000000, 0.0000615300000000 ] - [ -0.0001078600000000, -0.0002212100000000, -0.0006565200000000 ] - [ -0.0000465900000000, 0.0000806900000000, -0.0005730200000000 ] - [ 0.0003244200000000, -0.0003343100000000, 0.0006046500000000 ] - [ 0.0002030100000000, 0.0001436900000000, 0.0008039000000000 ] - [ -0.0004965800000000, -0.0004038600000000, 0.0005404200000000 ] - [ 0.0003439200000000, -0.0000065300000000, -0.0003506300000000 ] - [ 0.0006992000000000, -0.0000457700000000, -0.0007614300000000 ] - [ 0.0001273100000000, -0.0004481100000000, 0.0006046500000000 ] - [ 0.0023636200000000, 0.0035885500000000, -0.0032145700000000 ] - [ -0.0001069100000000, 0.0001522800000000, -0.0005246600000000 ] - [ 0.0003420300000000, -0.0002883700000000, 0.0002107200000000 ] - [ -0.0001934600000000, 0.0003350800000000, -0.0003759600000000 ] - [ -0.0000270400000000, 0.0001442300000000, -0.0002858200000000 ] - [ -0.0001663000000000, -0.0003011100000000, -0.0003506300000000 ] - [ -0.0000045400000000, -0.0000715000000000, 0.0003724900000000 ] - [ 0.0002455000000000, -0.0000172000000000, -0.0006565200000000 ] - [ 0.0000132800000000, -0.0001208300000000, 0.0002095700000000 ] - [ -0.0000795700000000, -0.0000630400000000, -0.0006032100000000 ] - [ -0.0001326200000000, 0.0001540200000000, -0.0003978600000000 ] - [ -0.0001115100000000, -0.0001926200000000, -0.0001916600000000 ] - [ 0.0004838900000000, -0.0002932800000000, 0.0028505200000000 ] - [ -0.0001753000000000, 0.0001861100000000, -0.0006665400000000 ] - [ 0.0000856000000000, 0.0000752500000000, -0.0006677800000000 ] - [ -0.0000756600000000, 0.0002399700000000, -0.0002141800000000 ] - [ 0.0000943800000000, 0.0000373900000000, -0.0006032100000000 ] - [ 0.0005980400000000, 0.0002281200000000, 0.0005404200000000 ] - [ -0.0002488300000000, 0.0000867600000000, 0.0007893500000000 ] - [ -0.0007129100000000, -0.0004358400000000, 0.0001356400000000 ] - [ -0.0001113900000000, 0.0000955300000000, -0.0002858200000000 ] - [ 0.0002920500000000, 0.0001417600000000, 0.0017758000000000 ] - [ 0.0002225700000000, 0.0000002600000000, -0.0001916600000000 ] - [ -0.0000754200000000, -0.0002075300000000, -0.0003683600000000 ] - [ -0.0002259400000000, -0.0001039600000000, 0.0008039000000000 ] - [ -0.0001564000000000, -0.0002053600000000, 0.0000615300000000 ] - [ 0.0000534900000000, -0.0000926500000000, -0.0003020800000000 ] - [ 0.0002438200000000, -0.0000209500000000, -0.0006456600000000 ] - [ -0.0000784300000000, 0.0001687300000000, -0.0005246600000000 ] - [ 0.0000641900000000, -0.0000318100000000, 0.0003724900000000 ] - [ -0.0002320300000000, 0.0004018900000000, 0.0024727200000000 ] - [ 0.0016157900000000, -0.0027986400000000, -0.0096202100000000 ] - [ 0.0000029900000000, 0.0000323000000000, -0.0008206300000000 ] - [ -0.0001278000000000, -0.0003298800000000, -0.0013906600000000 ] - [ 0.0001462900000000, 0.0002486500000000, -0.0009576500000000 ] - [ 0.0003495800000000, -0.0000542600000000, -0.0013906600000000 ] - [ 0.0060519800000000, -0.0104823300000000, -0.0036726800000000 ] - [ 0.0000436300000000, -0.0000755700000000, -0.0017443600000000 ] - [ 0.0007373400000000, 0.0005359200000000, -0.0012754800000000 ] - [ -0.0008328000000000, -0.0003706000000000, -0.0012754800000000 ] - [ -0.0002884800000000, -0.0000023600000000, -0.0009576500000000 ] - [ -0.0000294700000000, 0.0000135600000000, -0.0008206300000000 ] - [ 0.0001503400000000, -0.0002604000000000, -0.0006190800000000 ] - [ 0.0000408800000000, -0.0007740200000000, 0.0044077600000000 ] - [ 0.0006498800000000, -0.0004224100000000, 0.0044077600000000 ] - [ 0.0001352400000000, -0.0002342500000000, -0.0015661100000000 ] - [ -0.0003879600000000, 0.0000786600000000, 0.0006517000000000 ] - [ 0.0005032100000000, 0.0010009800000000, 0.0010169300000000 ] - [ -0.0011184800000000, 0.0000646900000000, 0.0010169300000000 ] - [ -0.0001551600000000, 0.0002687400000000, -0.0015232000000000 ] - [ 0.0001258600000000, 0.0003753100000000, 0.0006517000000000 ] - [ 0.0001495500000000, 0.0002939400000000, -0.0004748400000000 ] - [ -0.0003293300000000, 0.0000174600000000, -0.0004748400000000 ] - [ -0.0022215100000000, 0.0038477800000000, -0.0044276500000000 ] - [ 0.0002701800000000, -0.0004679600000000, 0.0007178900000000 ] - [ -0.0007511100000000, -0.0002376700000000, 0.0023747000000000 ] - [ 0.0003837600000000, 0.0003426100000000, -0.0005313500000000 ] - [ -0.0000873600000000, -0.0002209900000000, -0.0003881400000000 ] - [ 0.0000476900000000, 0.0000394600000000, 0.0000111500000000 ] - [ 0.0000198900000000, 0.0000361200000000, 0.0002940400000000 ] - [ -0.0000412200000000, 0.0000008300000000, 0.0002940400000000 ] - [ 0.0000820100000000, 0.0000021300000000, 0.0000860700000000 ] - [ 0.0001467000000000, -0.0002540900000000, 0.0008594100000000 ] - [ 0.0005327700000000, 0.0002719100000000, 0.0008285900000000 ] - [ 0.0000584100000000, 0.0002935100000000, -0.0009578100000000 ] - [ -0.0025080000000000, 0.0018288700000000, 0.0000437200000000 ] - [ -0.0008829500000000, -0.0000107700000000, -0.0002856000000000 ] - [ 0.0000614500000000, -0.0000727300000000, 0.0000162100000000 ] - [ 0.0003412500000000, 0.0004531400000000, -0.0027213500000000 ] - [ -0.0000808200000000, 0.0000131300000000, 0.0000091100000000 ] - [ 0.0004508100000000, 0.0007592700000000, -0.0002856000000000 ] - [ -0.0002917000000000, -0.0001114700000000, 0.0006993300000000 ] - [ 0.0004266300000000, 0.0003771500000000, 0.0002621200000000 ] - [ 0.0004527500000000, 0.0009240700000000, -0.0029496000000000 ] - [ -0.0001528000000000, 0.0002646500000000, 0.0005493400000000 ] - [ -0.0000727000000000, -0.0001250100000000, 0.0003906200000000 ] - [ -0.0000897600000000, -0.0000165600000000, 0.0002429700000000 ] - [ -0.0000732100000000, 0.0001268100000000, 0.0003839300000000 ] - [ -0.0011366100000000, 0.0019686600000000, 0.0021182300000000 ] - [ 0.0000355600000000, -0.0000616000000000, -0.0015199600000000 ] - [ 0.0000002700000000, -0.0000276500000000, 0.0005491600000000 ] - [ -0.0002833900000000, 0.0000961700000000, -0.0009578100000000 ] - [ -0.0000563000000000, 0.0000088900000000, 0.0014557300000000 ] - [ -0.0001406900000000, -0.0000356000000000, -0.0002384300000000 ] - [ 0.0002423900000000, 0.0001968800000000, 0.0006993300000000 ] - [ 0.0003193300000000, 0.0000465000000000, 0.0001867800000000 ] - [ 0.0000322600000000, -0.0000895900000000, 0.0000162100000000 ] - [ -0.0002352900000000, 0.0001159300000000, 0.0000750900000000 ] - [ 0.0000172500000000, 0.0002617300000000, 0.0000750900000000 ] - [ 0.0000592200000000, 0.0000694500000000, 0.0002429700000000 ] - [ -0.0004885900000000, -0.0001610400000000, -0.0005313500000000 ] - [ 0.0002894500000000, -0.0000011900000000, -0.0007457100000000 ] - [ -0.0000312400000000, 0.0000541100000000, 0.0004543600000000 ] - [ 0.0001227100000000, -0.0000677900000000, -0.0001264800000000 ] - [ -0.0000580200000000, -0.0000215600000000, 0.0000111500000000 ] - [ 0.0001500400000000, -0.0002598800000000, -0.0008613000000000 ] - [ -0.0003593800000000, -0.0000364200000000, 0.0001930900000000 ] - [ -0.0001221800000000, -0.0001922400000000, 0.0002214700000000 ] - [ 0.0000858600000000, 0.0000043500000000, 0.0000891000000000 ] - [ 0.0005813800000000, 0.0005316500000000, 0.0023747000000000 ] - [ -0.0024213600000000, 0.0041939200000000, 0.0000352000000000 ] - [ -0.0000778200000000, 0.0001347900000000, 0.0008748300000000 ] - [ 0.0002350600000000, -0.0000348400000000, -0.0003881400000000 ] - [ 0.0001446100000000, 0.0000004600000000, 0.0003906200000000 ] - [ -0.0000905200000000, -0.0001489800000000, -0.0001139600000000 ] - [ -0.0000428500000000, -0.0000699500000000, 0.0000860700000000 ] - [ 0.0000751100000000, -0.0001300900000000, 0.0000592600000000 ] - [ 0.0011424900000000, -0.0001361800000000, -0.0000746200000000 ] - [ 0.0000238200000000, -0.0000140600000000, 0.0005491600000000 ] - [ -0.0011458600000000, 0.0019846900000000, 0.0026337700000000 ] - [ -0.0003298500000000, 0.0030864300000000, 0.0000437200000000 ] - [ 0.0002216700000000, 0.0000204300000000, 0.0004978200000000 ] - [ 0.0001543400000000, -0.0004303000000000, 0.0001848300000000 ] - [ 0.0001708400000000, -0.0003169600000000, -0.0005933500000000 ] - [ -0.0001285300000000, -0.0001817600000000, 0.0004978200000000 ] - [ -0.0001999400000000, -0.0002533000000000, 0.0001867800000000 ] - [ -0.0001437000000000, -0.0002512600000000, -0.0007457100000000 ] - [ -0.0005630500000000, -0.0000689600000000, -0.0027213500000000 ] - [ 0.0001011800000000, 0.0001040400000000, -0.0002384300000000 ] - [ 0.0000204500000000, 0.0000532100000000, 0.0014557300000000 ] - [ 0.0001589700000000, -0.0005788600000000, -0.0001254900000000 ] - [ 0.0001632800000000, 0.0006422600000000, -0.0001532400000000 ] - [ 0.0002275700000000, 0.0000096900000000, 0.0002214700000000 ] - [ 0.0000290400000000, 0.0000765600000000, 0.0000091100000000 ] - [ -0.0006378500000000, 0.0001797300000000, -0.0001532400000000 ] - [ -0.0000467000000000, -0.0000721800000000, 0.0000891000000000 ] - [ 0.0004218200000000, -0.0004271000000000, -0.0001254900000000 ] - [ -0.0004533100000000, -0.0010575200000000, -0.0000746200000000 ] - [ 0.0001890700000000, -0.0003064300000000, -0.0005933500000000 ] - [ 0.0001742800000000, 0.0000039100000000, -0.0001139600000000 ] - [ -0.0005018600000000, -0.0003254300000000, 0.0008285900000000 ] - [ -0.0000030400000000, 0.0000052700000000, 0.0008447900000000 ] - [ -0.0005399400000000, -0.0001809000000000, 0.0002621200000000 ] - [ 0.0002112300000000, 0.0002930300000000, 0.0001930900000000 ] - [ -0.0000026500000000, -0.0001401700000000, -0.0001264800000000 ] - [ -0.0010266400000000, 0.0000699400000000, -0.0029496000000000 ] - [ 0.0001489900000000, -0.0002580600000000, -0.0008031500000000 ] - [ 0.0002954800000000, -0.0003488100000000, 0.0001848300000000 ] - [ 0.0000140300000000, -0.0000243000000000, 0.0003009000000000 ] - [ -0.0000003200000000, 0.0000747600000000, -0.0004800100000000 ] - [ 0.0000466400000000, -0.0000807800000000, 0.0005951100000000 ] - [ -0.0005447600000000, 0.0000289100000000, 0.0002248400000000 ] - [ -0.0000796600000000, 0.0001379700000000, 0.0001708200000000 ] - [ 0.0000066100000000, 0.0000346600000000, 0.0003954400000000 ] - [ -0.0003615700000000, -0.0003358600000000, 0.0002534300000000 ] - [ 0.0002473400000000, 0.0004862300000000, 0.0002248400000000 ] - [ 0.0000967600000000, 0.0000692200000000, 0.0003210000000000 ] - [ 0.0000036200000000, -0.0000029800000000, 0.0000348900000000 ] - [ -0.0001083200000000, -0.0000491800000000, 0.0003210000000000 ] - [ 0.0004716500000000, 0.0001452000000000, 0.0002534300000000 ] - [ 0.0000007700000000, -0.0000046200000000, 0.0000348900000000 ] - [ 0.0005294800000000, -0.0009170900000000, 0.0013144000000000 ] - [ -0.0000077600000000, 0.0000134400000000, 0.0000040200000000 ] - [ -0.0000645900000000, 0.0000376600000000, -0.0004800100000000 ] - [ -0.0000333200000000, 0.0000116000000000, 0.0003954400000000 ] - [ -0.0033054400000000, 0.0057251900000000, -0.0080850700000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002667900000000, -0.0002583600000000, -0.0002381700000000 ] - [ 0.0014574200000000, 0.0005412900000000, 0.0001788200000000 ] - [ 0.0001922500000000, 0.0003352100000000, 0.0000493500000000 ] - [ -0.0357420600000000, -0.0045977900000000, -0.0083747900000000 ] - [ -0.0001130700000000, 0.0002494500000000, -0.0002361400000000 ] - [ -0.0001122600000000, -0.0001699000000000, -0.0000002700000000 ] - [ 0.0002710600000000, -0.0000022900000000, 0.0000393800000000 ] - [ -0.0001134100000000, -0.0002313700000000, -0.0002415000000000 ] - [ -0.0000108300000000, 0.0002010000000000, 0.0000932800000000 ] - [ -0.0000974400000000, 0.0001670100000000, -0.0000615400000000 ] - [ -0.0023824700000000, 0.0000901700000000, 0.0000935300000000 ] - [ -0.0000939300000000, -0.0002340300000000, -0.0001295400000000 ] - [ -0.0003903600000000, -0.0003416000000000, -0.0004101300000000 ] - [ 0.0000537500000000, 0.0000390800000000, 0.0000685500000000 ] - [ 0.0001584000000000, -0.0000721400000000, -0.0001170100000000 ] - [ 0.0006179000000000, -0.0001648900000000, 0.0002103700000000 ] - [ 0.0045703600000000, 0.0037584400000000, -0.0001408300000000 ] - [ 0.0019855400000000, 0.0016906400000000, 0.0001236600000000 ] - [ 0.0002968000000000, -0.0002499000000000, -0.0003974900000000 ] - [ -0.0002201400000000, 0.0002177200000000, -0.0002518300000000 ] - [ 0.0002354600000000, 0.0000227900000000, -0.0000150800000000 ] - [ 0.0001747700000000, 0.0003249000000000, 0.0000373700000000 ] - [ 0.0003774200000000, 0.0003203900000000, 0.0006661400000000 ] - [ 0.0006817200000000, -0.0000447600000000, 0.0005611000000000 ] - [ -0.0015142000000000, -0.0014276600000000, -0.0019232200000000 ] - [ -0.0000313900000000, -0.0001935700000000, -0.0002891000000000 ] - [ 0.0001435200000000, 0.0001060600000000, -0.0001247100000000 ] - [ 0.0000122700000000, -0.0000355300000000, 0.0003660300000000 ] - [ -0.0010643600000000, -0.0005474300000000, -0.0003898200000000 ] - [ -0.0000396200000000, -0.0000030400000000, -0.0000271700000000 ] - [ 0.0003129200000000, -0.0000260600000000, -0.0000352400000000 ] - [ 0.0002916700000000, 0.0000001600000000, -0.0002222300000000 ] - [ 0.0001827600000000, 0.0000250400000000, 0.0001710300000000 ] - [ 0.0001026300000000, 0.0000354900000000, 0.0002734300000000 ] - [ 0.0002236600000000, 0.0000741200000000, -0.0001403700000000 ] - [ 0.0005296700000000, -0.0002917400000000, 0.0000830200000000 ] - [ -0.0001681600000000, 0.0003426400000000, 0.0000072500000000 ] - [ -0.0000720000000000, 0.0001897300000000, -0.0001019100000000 ] - [ -0.0002263400000000, -0.0003556800000000, 0.0000518300000000 ] - [ -0.0001674700000000, -0.0001883300000000, 0.0000028000000000 ] - [ 0.0003874700000000, 0.0000978100000000, -0.0005098300000000 ] - [ 0.0001038100000000, -0.0013983400000000, 0.0001098600000000 ] - [ 0.0000483700000000, -0.0000675300000000, -0.0001369300000000 ] - [ -0.0001498700000000, 0.0001992300000000, 0.0000387200000000 ] - [ 0.0007835400000000, 0.0000576300000000, -0.0006458000000000 ] - [ 0.0001715900000000, 0.0001784200000000, 0.0001933700000000 ] - [ -0.0002839500000000, 0.0002811100000000, -0.0004072000000000 ] - [ -0.0000402300000000, 0.0006241000000000, 0.0005876000000000 ] - [ 0.0005032800000000, 0.0000124400000000, 0.0041942900000000 ] - [ 0.0001243000000000, 0.0000817000000000, 0.0000524200000000 ] - [ -0.0000548600000000, -0.0000097900000000, 0.0003288200000000 ] - [ 0.0000016200000000, 0.0000389200000000, 0.0019644200000000 ] - [ -0.0013187200000000, 0.0001979900000000, -0.0002095300000000 ] - [ -0.0001499900000000, 0.0001447100000000, -0.0001409100000000 ] - [ 0.0005407900000000, 0.0000779300000000, -0.0005941000000000 ] - [ 0.0007697900000000, -0.0001725600000000, 0.0005589800000000 ] - [ -0.0000692000000000, -0.0001819600000000, -0.0000690200000000 ] - [ -0.0005893600000000, -0.0005308300000000, 0.0007591000000000 ] - [ -0.0004648100000000, -0.0006235600000000, 0.0008423300000000 ] - [ 0.0002300200000000, 0.0003971500000000, 0.0002603200000000 ] - [ 0.0002059100000000, -0.0001710700000000, -0.0003019800000000 ] - [ -0.0001382500000000, -0.0001332900000000, -0.0000987700000000 ] - [ -0.0000427100000000, -0.0000574900000000, 0.0000140200000000 ] - [ 0.0012864700000000, 0.0003987700000000, 0.0006266800000000 ] - [ 0.0008283400000000, 0.0019575400000000, -0.0001760800000000 ] - [ -0.0000189800000000, -0.0000428900000000, 0.0000641800000000 ] - [ -0.0008144100000000, 0.0025265600000000, -0.0029782200000000 ] - [ 0.0000729300000000, 0.0001127600000000, 0.0011267200000000 ] - [ -0.0001633500000000, -0.0005457000000000, -0.0004775500000000 ] - [ 0.0003852400000000, 0.0001302400000000, 0.0003065700000000 ] - [ 0.0001174600000000, 0.0000490200000000, -0.0002322100000000 ] - [ 0.0001044600000000, 0.0001957000000000, -0.0002034600000000 ] - [ -0.0003245000000000, -0.0000091800000000, -0.0004508500000000 ] - [ -0.0002456300000000, -0.0001464500000000, -0.0012772400000000 ] - [ -0.0001025700000000, 0.0000099500000000, 0.0000033600000000 ] - [ 0.0002110200000000, -0.0001827200000000, -0.0001997700000000 ] - [ -0.0019619100000000, 0.0006423600000000, -0.0045860800000000 ] - [ -0.0002059200000000, -0.0004431600000000, 0.0004997500000000 ] - [ 0.0002436600000000, 0.0000630400000000, -0.0000281800000000 ] - [ 0.0114435300000000, -0.0037225800000000, 0.0027058100000000 ] - [ -0.0002353500000000, -0.0000084200000000, 0.0005514500000000 ] - [ -0.0000665100000000, -0.0000699800000000, -0.0003643500000000 ] - [ 0.0017167300000000, 0.0003304700000000, 0.0009230300000000 ] - [ 0.0078995300000000, -0.0115580000000000, -0.0030289000000000 ] - [ 0.0037615300000000, 0.0034138100000000, 0.0025142000000000 ] - [ 0.0000962900000000, 0.0005033800000000, -0.0001607400000000 ] - [ -0.0007970500000000, -0.0002847700000000, 0.0003296200000000 ] - [ -0.0005603900000000, 0.0000548800000000, -0.0000410300000000 ] - [ -0.0002825200000000, -0.0012811700000000, 0.0005575400000000 ] - [ 0.0024777100000000, 0.0002484700000000, 0.0012421900000000 ] - [ 0.0001535600000000, 0.0000252300000000, -0.0002832600000000 ] - [ 0.0000909100000000, 0.0001589500000000, -0.0003379400000000 ] - [ 0.0002612200000000, 0.0003817900000000, -0.0003636800000000 ] - [ 0.0000742200000000, 0.0000633600000000, 0.0002325600000000 ] - [ -0.0000011800000000, -0.0000035100000000, 0.0000343100000000 ] - [ -0.0008812400000000, -0.0002938200000000, -0.0007294300000000 ] - [ 0.0000896200000000, 0.0000016900000000, 0.0003988600000000 ] - [ 0.0000367900000000, 0.0001264200000000, 0.0014267500000000 ] - [ 0.0003263500000000, -0.0000128600000000, 0.0003444300000000 ] - [ -0.0006996000000000, 0.0003494000000000, -0.0004418400000000 ] - [ 0.0001417100000000, -0.0001573800000000, -0.0003020500000000 ] - [ 0.0000720900000000, 0.0001312600000000, -0.0001864200000000 ] - [ -0.0001487000000000, 0.0000524700000000, -0.0003187300000000 ] - [ 0.0025371700000000, -0.0000408300000000, 0.0004548500000000 ] - [ -0.0010696500000000, -0.0002554600000000, -0.0001441000000000 ] - [ 0.0001460400000000, 0.0002040500000000, -0.0000655400000000 ] - [ 0.0003656400000000, 0.0000176800000000, 0.0000987400000000 ] - [ -0.0000756300000000, 0.0000773700000000, -0.0000163300000000 ] - [ -0.0000680500000000, 0.0000866600000000, -0.0011294100000000 ] - [ -0.0000590200000000, -0.0000223400000000, -0.0002729700000000 ] - [ -0.0000744500000000, 0.0000289900000000, 0.0001901500000000 ] - [ -0.0000127100000000, -0.0010927300000000, -0.0002140900000000 ] - [ -0.0006901400000000, -0.0001422100000000, -0.0002944600000000 ] - [ 0.0000227000000000, 0.0000033600000000, 0.0000065800000000 ] - [ -0.0001689700000000, 0.0006092400000000, 0.0000516000000000 ] - [ 0.0000370000000000, 0.0000687200000000, 0.0007508900000000 ] - [ 0.0020795800000000, -0.0020507800000000, -0.0015324000000000 ] - [ -0.0005306300000000, -0.0003544500000000, -0.0000753000000000 ] - [ -0.0000129200000000, 0.0000083600000000, -0.0000974200000000 ] - [ 0.0000809300000000, -0.0001262100000000, -0.0003112800000000 ] - [ -0.0003280000000000, 0.0000077900000000, -0.0001308600000000 ] - [ 0.0000865000000000, 0.0002178200000000, -0.0001141200000000 ] - [ -0.0001910700000000, -0.0000081500000000, -0.0002676400000000 ] - [ 0.0001693600000000, 0.0000966400000000, 0.0001799800000000 ] - [ -0.0018733500000000, 0.0007028500000000, -0.0024339900000000 ] - [ 0.0000672700000000, -0.0002733400000000, -0.0000669100000000 ] - [ 0.0000244700000000, -0.0000130700000000, 0.0001648500000000 ] - [ -0.0001178900000000, -0.0000335300000000, -0.0002574200000000 ] - [ -0.0004579800000000, 0.0001785200000000, 0.0001052100000000 ] - [ -0.0040876500000000, 0.0020709800000000, 0.0000544600000000 ] - [ 0.0001267900000000, -0.0002413800000000, -0.0001202600000000 ] - [ -0.0000122100000000, 0.0001707600000000, 0.0000518700000000 ] - [ -0.0006503600000000, -0.0006468500000000, 0.0002995000000000 ] - [ -0.0004092100000000, 0.0004583000000000, 0.0004700000000000 ] - [ -0.0001262400000000, -0.0000767200000000, -0.0002047000000000 ] - [ 0.0000421300000000, 0.0000244400000000, 0.0005436100000000 ] - [ -0.0000000700000000, 0.0001519900000000, 0.0007729200000000 ] - [ -0.0000387000000000, 0.0001913500000000, -0.0000901600000000 ] - [ -0.0003265900000000, -0.0000563900000000, -0.0005405100000000 ] - [ 0.0000221600000000, -0.0001004600000000, -0.0001615500000000 ] - [ 0.0001094500000000, -0.0000240600000000, 0.0001725000000000 ] - [ 0.0000070400000000, 0.0000063100000000, -0.0000025400000000 ] - [ -0.0000712700000000, -0.0000247600000000, -0.0003580900000000 ] - [ -0.0004608100000000, -0.0005939600000000, 0.0005312500000000 ] - [ 0.0000204800000000, -0.0000051600000000, -0.0000188200000000 ] - [ 0.0084198600000000, 0.0000725100000000, 0.0024062400000000 ] - [ -0.0005931200000000, -0.0007191600000000, 0.0000313000000000 ] - [ -0.0000945500000000, -0.0001286300000000, -0.0000204800000000 ] - [ 0.0000715000000000, 0.0001019800000000, -0.0001632900000000 ] - [ -0.0013353900000000, 0.0022175200000000, 0.0024454500000000 ] - [ 0.0028480900000000, 0.0003808400000000, 0.0010015900000000 ] - [ 0.0003524200000000, 0.0044250800000000, -0.0003177200000000 ] - [ 0.0000423900000000, -0.0003006800000000, 0.0017882000000000 ] - [ 0.0007648700000000, -0.0004946000000000, -0.0003498800000000 ] - [ 0.0003576100000000, 0.0010195700000000, -0.0006383300000000 ] - [ 0.0001561400000000, -0.0002026100000000, -0.0000649100000000 ] - [ 0.0001290400000000, 0.0001635500000000, -0.0002930100000000 ] - [ -0.0003208000000000, -0.0006609900000000, 0.0006995000000000 ] - [ 0.0001201300000000, -0.0001951200000000, -0.0005523600000000 ] - [ 0.0011368100000000, -0.0016764100000000, -0.0004999800000000 ] - [ -0.0000760200000000, -0.0001831500000000, -0.0000684800000000 ] - [ -0.0005408100000000, -0.0001527200000000, 0.0000928600000000 ] - [ -0.0000472500000000, 0.0001083800000000, 0.0001861400000000 ] - [ -0.0000155900000000, -0.0000401100000000, 0.0001957800000000 ] - [ -0.0000652900000000, -0.0000251000000000, -0.0001340600000000 ] - [ -0.0002765100000000, -0.0000247000000000, -0.0001201100000000 ] - [ -0.0029523800000000, 0.0000502300000000, 0.0002645900000000 ] - [ 0.0004032400000000, 0.0000305400000000, -0.0000591900000000 ] - [ -0.0005066800000000, -0.0009770600000000, 0.0014234500000000 ] - [ -0.0002800300000000, -0.0004762400000000, -0.0000828400000000 ] - [ -0.0029603600000000, 0.0022083800000000, 0.0007016100000000 ] - [ -0.0002874500000000, -0.0000931800000000, 0.0000520000000000 ] - [ -0.0000615400000000, 0.0000777900000000, 0.0004930300000000 ] - [ -0.0000101600000000, -0.0000364800000000, 0.0000895000000000 ] - [ -0.0002407300000000, 0.0000322500000000, 0.0001134200000000 ] - [ -0.0009428400000000, -0.0003873900000000, 0.0000934000000000 ] - [ 0.0000113200000000, 0.0000127300000000, 0.0000596400000000 ] - [ 0.0064400300000000, 0.0046376500000000, 0.0038435200000000 ] - [ 0.0001392900000000, 0.0002351800000000, 0.0002398400000000 ] - [ 0.0000653500000000, 0.0000526400000000, -0.0000011200000000 ] - [ 0.0000049000000000, 0.0000389200000000, -0.0003450400000000 ] - [ 0.0004104800000000, -0.0000094400000000, -0.0005657000000000 ] - [ 0.0000638600000000, 0.0005194400000000, 0.0000784800000000 ] - [ 0.0000632100000000, -0.0000069700000000, -0.0004195600000000 ] - [ 0.0000953800000000, -0.0002604800000000, 0.0001764000000000 ] - [ -0.0000796300000000, -0.0000226500000000, -0.0003402200000000 ] - [ 0.0002089600000000, 0.0001047400000000, -0.0003329200000000 ] - [ -0.0000073000000000, 0.0000076300000000, 0.0001230300000000 ] - [ -0.0001708800000000, -0.0001259500000000, 0.0000731400000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002122900000000, 0.0006729200000000, 0.0006574700000000 ] - [ -0.0015748600000000, -0.0003112300000000, 0.0001655800000000 ] - [ -0.0002442900000000, -0.0002328000000000, 0.0002229200000000 ] - [ 0.0352721800000000, 0.0041502700000000, 0.0084353300000000 ] - [ -0.0001344100000000, 0.0001934800000000, -0.0002023600000000 ] - [ -0.0001077600000000, -0.0002145400000000, -0.0000075500000000 ] - [ 0.0001815500000000, 0.0000082800000000, -0.0000507700000000 ] - [ -0.0001443300000000, -0.0002147000000000, -0.0001932200000000 ] - [ -0.0001181900000000, 0.0000465900000000, 0.0000176500000000 ] - [ -0.0001376900000000, 0.0002221800000000, 0.0000497300000000 ] - [ 0.0023980300000000, 0.0001742300000000, 0.0001545900000000 ] - [ -0.0000439600000000, -0.0002014100000000, -0.0001153500000000 ] - [ 0.0001903500000000, -0.0000654100000000, -0.0001861900000000 ] - [ -0.0000240100000000, -0.0001990000000000, 0.0004286000000000 ] - [ 0.0002705800000000, -0.0000347600000000, -0.0001355700000000 ] - [ -0.0007401800000000, -0.0000430400000000, 0.0001390500000000 ] - [ -0.0042675000000000, -0.0036941100000000, 0.0004845000000000 ] - [ -0.0017510400000000, -0.0015519400000000, 0.0001191700000000 ] - [ -0.0003258600000000, 0.0005453800000000, 0.0005163700000000 ] - [ 0.0000254700000000, 0.0002119000000000, -0.0003434100000000 ] - [ 0.0002189500000000, -0.0000314100000000, 0.0000031100000000 ] - [ 0.0000941800000000, -0.0002009600000000, 0.0000802700000000 ] - [ -0.0003204200000000, -0.0007476000000000, -0.0002452600000000 ] - [ -0.0005702400000000, 0.0000526300000000, -0.0002904700000000 ] - [ 0.0018102500000000, 0.0014312300000000, 0.0025178600000000 ] - [ -0.0002208100000000, -0.0001825500000000, -0.0003045100000000 ] - [ -0.0002523200000000, 0.0000999300000000, -0.0002120900000000 ] - [ -0.0001652100000000, -0.0000181600000000, 0.0001299300000000 ] - [ 0.0013916100000000, 0.0008046500000000, 0.0008118400000000 ] - [ 0.0000549800000000, 0.0001647800000000, 0.0005201700000000 ] - [ 0.0004351100000000, 0.0000142400000000, 0.0000764600000000 ] - [ 0.0002154800000000, 0.0000071900000000, -0.0002161300000000 ] - [ -0.0000513900000000, 0.0000694900000000, 0.0003209500000000 ] - [ 0.0000306000000000, -0.0001433500000000, 0.0002181800000000 ] - [ 0.0002114400000000, 0.0000300800000000, -0.0001129600000000 ] - [ -0.0007762600000000, 0.0001658200000000, 0.0001690900000000 ] - [ -0.0002157500000000, 0.0002993900000000, 0.0000342800000000 ] - [ -0.0000551100000000, 0.0002390600000000, -0.0001514800000000 ] - [ -0.0001510700000000, -0.0002972300000000, -0.0000139600000000 ] - [ 0.0000342500000000, -0.0000414400000000, 0.0001133800000000 ] - [ 0.0000839300000000, -0.0000519300000000, -0.0000843800000000 ] - [ 0.0001309100000000, 0.0012157600000000, 0.0001379000000000 ] - [ -0.0001591700000000, -0.0001234200000000, -0.0002079900000000 ] - [ -0.0000716300000000, 0.0001958500000000, -0.0000502400000000 ] - [ -0.0008163700000000, -0.0003610100000000, 0.0007592600000000 ] - [ 0.0001652100000000, -0.0004297800000000, 0.0002259000000000 ] - [ -0.0000046000000000, 0.0000861800000000, -0.0001861000000000 ] - [ -0.0002085700000000, -0.0008033200000000, -0.0004797900000000 ] - [ -0.0007469200000000, 0.0001643100000000, -0.0040548600000000 ] - [ 0.0001088400000000, -0.0000725600000000, -0.0003910700000000 ] - [ -0.0001057900000000, 0.0000713900000000, 0.0001624000000000 ] - [ -0.0003825100000000, 0.0001243500000000, -0.0015529600000000 ] - [ 0.0010402800000000, -0.0000787900000000, 0.0004576900000000 ] - [ -0.0001574900000000, 0.0001739000000000, -0.0001119700000000 ] - [ -0.0006036800000000, -0.0001858600000000, 0.0008561300000000 ] - [ -0.0005010300000000, 0.0000563000000000, -0.0004418300000000 ] - [ -0.0001536900000000, -0.0002008500000000, 0.0000613800000000 ] - [ 0.0001918200000000, 0.0003653900000000, -0.0003422300000000 ] - [ 0.0003234700000000, 0.0003833400000000, -0.0002430000000000 ] - [ -0.0003610900000000, -0.0001540900000000, 0.0003398900000000 ] - [ 0.0002547200000000, 0.0001050200000000, -0.0002903000000000 ] - [ -0.0001697600000000, -0.0002034200000000, -0.0001463900000000 ] - [ 0.0003229900000000, 0.0000694100000000, 0.0000973500000000 ] - [ -0.0012312700000000, -0.0004948000000000, -0.0000392700000000 ] - [ -0.0008962000000000, -0.0018446300000000, 0.0004078700000000 ] - [ 0.0000259900000000, 0.0000377800000000, 0.0000997000000000 ] - [ 0.0008566700000000, -0.0025007100000000, 0.0019794800000000 ] - [ 0.0002056500000000, 0.0003753900000000, -0.0012292100000000 ] - [ 0.0001664200000000, 0.0005417200000000, -0.0005194300000000 ] - [ -0.0003860300000000, -0.0001281200000000, 0.0005987100000000 ] - [ -0.0001183300000000, -0.0000486600000000, -0.0004387800000000 ] - [ 0.0001330200000000, 0.0002166100000000, -0.0002599200000000 ] - [ -0.0001435900000000, 0.0000088200000000, -0.0000179700000000 ] - [ -0.0003180600000000, 0.0001462700000000, 0.0011757400000000 ] - [ 0.0000944600000000, -0.0000056900000000, 0.0001599200000000 ] - [ 0.0000214700000000, -0.0002214200000000, -0.0002711200000000 ] - [ 0.0018555400000000, -0.0006398200000000, 0.0052101500000000 ] - [ 0.0002600200000000, 0.0005439900000000, 0.0000957400000000 ] - [ 0.0000391800000000, -0.0005529000000000, -0.0000782300000000 ] - [ -0.0113289200000000, 0.0038077000000000, -0.0024515300000000 ] - [ 0.0002513200000000, -0.0000006700000000, -0.0011330200000000 ] - [ 0.0000522200000000, 0.0000785800000000, -0.0002209700000000 ] - [ -0.0017169500000000, -0.0003261800000000, -0.0002217500000000 ] - [ -0.0079059400000000, 0.0114188600000000, 0.0032884500000000 ] - [ -0.0037774700000000, -0.0034985600000000, -0.0028111600000000 ] - [ -0.0001006900000000, -0.0005050500000000, -0.0000789500000000 ] - [ 0.0007984900000000, 0.0002870200000000, -0.0000003200000000 ] - [ 0.0006769300000000, -0.0002517200000000, 0.0003027100000000 ] - [ 0.0007154400000000, 0.0014591700000000, 0.0000081200000000 ] - [ -0.0018459500000000, -0.0002518300000000, -0.0008351000000000 ] - [ -0.0001545800000000, -0.0000260200000000, 0.0013178000000000 ] - [ 0.0001047000000000, 0.0001142600000000, -0.0003132200000000 ] - [ -0.0001056100000000, -0.0001127100000000, 0.0002601700000000 ] - [ -0.0003776100000000, -0.0000551700000000, -0.0003351600000000 ] - [ 0.0002661600000000, 0.0001560900000000, -0.0005435600000000 ] - [ 0.0008788400000000, 0.0002895600000000, -0.0000641400000000 ] - [ -0.0000044000000000, -0.0000059500000000, 0.0000442600000000 ] - [ -0.0005352200000000, 0.0002626600000000, -0.0010730900000000 ] - [ 0.0007831100000000, 0.0000179000000000, 0.0004439500000000 ] - [ -0.0009648600000000, -0.0004018400000000, -0.0005089100000000 ] - [ 0.0000587800000000, -0.0001174600000000, -0.0003498500000000 ] - [ -0.0001640200000000, -0.0002936400000000, -0.0000156200000000 ] - [ -0.0001882800000000, -0.0000160000000000, -0.0003328800000000 ] - [ -0.0016822100000000, 0.0014367800000000, -0.0013978100000000 ] - [ 0.0008433500000000, 0.0002557900000000, 0.0004054600000000 ] - [ 0.0001304700000000, 0.0002449500000000, -0.0001748300000000 ] - [ 0.0002041000000000, 0.0002211400000000, 0.0002607400000000 ] - [ -0.0000444500000000, 0.0001308300000000, 0.0000210700000000 ] - [ -0.0000630900000000, -0.0003143800000000, 0.0007603900000000 ] - [ 0.0000582300000000, 0.0003283100000000, -0.0002351900000000 ] - [ 0.0000281200000000, 0.0000431600000000, 0.0002543500000000 ] - [ 0.0002408200000000, 0.0007058800000000, -0.0001027800000000 ] - [ 0.0005949400000000, 0.0002942100000000, 0.0000955000000000 ] - [ -0.0000208300000000, -0.0000003100000000, -0.0000391000000000 ] - [ 0.0000931300000000, 0.0000011200000000, 0.0003085000000000 ] - [ -0.0000406000000000, -0.0000714000000000, 0.0008792500000000 ] - [ -0.0028294700000000, 0.0022998400000000, 0.0012472200000000 ] - [ 0.0006443100000000, 0.0005499400000000, 0.0003360000000000 ] - [ -0.0001977500000000, -0.0000167300000000, -0.0002287200000000 ] - [ 0.0000520800000000, -0.0001730700000000, -0.0003368200000000 ] - [ -0.0001970400000000, 0.0000029200000000, -0.0001074700000000 ] - [ 0.0001627900000000, 0.0002445300000000, -0.0001252300000000 ] - [ -0.0000665100000000, 0.0001700500000000, -0.0002425300000000 ] - [ -0.0004875800000000, -0.0006494700000000, 0.0002327300000000 ] - [ 0.0020078200000000, -0.0007069100000000, 0.0019282300000000 ] - [ 0.0000898400000000, 0.0000169000000000, -0.0000348600000000 ] - [ -0.0001036900000000, -0.0001335300000000, 0.0001446800000000 ] - [ -0.0002082400000000, -0.0000006200000000, -0.0003903800000000 ] - [ 0.0001343900000000, 0.0003716600000000, 0.0003060500000000 ] - [ 0.0037215700000000, -0.0017983700000000, 0.0005086900000000 ] - [ 0.0001302500000000, -0.0002426800000000, -0.0001213900000000 ] - [ 0.0002812000000000, -0.0003134800000000, -0.0005632600000000 ] - [ 0.0002967500000000, 0.0003707600000000, 0.0002656100000000 ] - [ -0.0001398300000000, 0.0005039600000000, 0.0003177000000000 ] - [ -0.0000029100000000, 0.0003153900000000, -0.0001565400000000 ] - [ -0.0000429900000000, -0.0000248600000000, 0.0004945800000000 ] - [ 0.0002698000000000, -0.0001450100000000, -0.0011394100000000 ] - [ -0.0000495600000000, -0.0000343400000000, 0.0003945800000000 ] - [ 0.0000680200000000, -0.0000969500000000, 0.0000323300000000 ] - [ 0.0000768400000000, -0.0000876300000000, -0.0001647800000000 ] - [ 0.0000688800000000, 0.0000270000000000, 0.0001330200000000 ] - [ -0.0000057200000000, -0.0000027200000000, -0.0000307400000000 ] - [ 0.0000735000000000, 0.0000281700000000, -0.0005214300000000 ] - [ -0.0000901200000000, -0.0003616800000000, 0.0002564800000000 ] - [ 0.0002209300000000, 0.0000050000000000, 0.0000238700000000 ] - [ -0.0073389700000000, -0.0005350800000000, -0.0017685800000000 ] - [ 0.0005153400000000, 0.0000972600000000, 0.0003290000000000 ] - [ -0.0000235500000000, -0.0000762900000000, 0.0000247700000000 ] - [ 0.0000298800000000, 0.0000737900000000, -0.0001622000000000 ] - [ 0.0012669800000000, -0.0023066100000000, -0.0029452600000000 ] - [ -0.0026602600000000, -0.0003653800000000, -0.0012425400000000 ] - [ -0.0001251300000000, -0.0040105100000000, -0.0000031700000000 ] - [ -0.0000520400000000, 0.0002882700000000, -0.0001485400000000 ] - [ 0.0000989400000000, -0.0009178300000000, -0.0005992400000000 ] - [ 0.0004267300000000, 0.0004396800000000, -0.0003121200000000 ] - [ 0.0001166800000000, -0.0002494000000000, -0.0001747400000000 ] - [ 0.0000094000000000, 0.0001427700000000, -0.0003580500000000 ] - [ -0.0013545400000000, 0.0007055000000000, -0.0016599700000000 ] - [ -0.0001216200000000, -0.0001081400000000, 0.0000435300000000 ] - [ -0.0003555600000000, 0.0002017300000000, -0.0004479700000000 ] - [ -0.0000116500000000, 0.0000421000000000, 0.0003772600000000 ] - [ 0.0011333900000000, -0.0000843600000000, 0.0002673300000000 ] - [ -0.0000359800000000, 0.0000274900000000, 0.0001252100000000 ] - [ -0.0000299800000000, -0.0000390200000000, 0.0002492000000000 ] - [ 0.0000625900000000, 0.0000201700000000, 0.0000473400000000 ] - [ -0.0002708800000000, 0.0000054400000000, -0.0001213500000000 ] - [ 0.0029015500000000, 0.0003922200000000, 0.0003033900000000 ] - [ -0.0002445400000000, -0.0000347900000000, 0.0003696700000000 ] - [ 0.0000082200000000, 0.0006041100000000, -0.0010764000000000 ] - [ 0.0002208900000000, 0.0005911100000000, -0.0004254400000000 ] - [ 0.0028831800000000, -0.0026573500000000, -0.0001431900000000 ] - [ 0.0003293600000000, 0.0000091200000000, -0.0000979400000000 ] - [ -0.0000527900000000, -0.0002777200000000, -0.0003186700000000 ] - [ 0.0000081900000000, 0.0000172900000000, 0.0000719500000000 ] - [ -0.0002233300000000, -0.0000263500000000, 0.0002207200000000 ] - [ 0.0009690300000000, 0.0003463600000000, -0.0000323600000000 ] - [ -0.0000126700000000, -0.0000157300000000, 0.0001006100000000 ] - [ -0.0064504400000000, -0.0044953200000000, -0.0036664900000000 ] - [ 0.0000970200000000, 0.0001739800000000, 0.0000928900000000 ] - [ -0.0000230900000000, 0.0000193000000000, -0.0000498800000000 ] - [ 0.0000102900000000, -0.0000120100000000, -0.0003662400000000 ] - [ -0.0005039900000000, 0.0000042700000000, 0.0005242000000000 ] - [ -0.0000384300000000, -0.0004783600000000, -0.0000187100000000 ] - [ -0.0000739000000000, 0.0000147000000000, -0.0002954900000000 ] - [ 0.0001416600000000, -0.0001377100000000, 0.0001574200000000 ] - [ 0.0000911700000000, 0.0000175200000000, -0.0003753200000000 ] - [ 0.0000269400000000, -0.0001020100000000, 0.0005057800000000 ] - [ -0.0000089300000000, -0.0000191900000000, 0.0000380900000000 ] - [ 0.0000549500000000, 0.0003337200000000, 0.0000981300000000 ]- atom: 4 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0003511900000000, 0.0007745700000000, 0.0005961100000000 ] - [ -0.0011929700000000, -0.0005515100000000, 0.0001573600000000 ] - [ 0.0002377100000000, 0.0002177800000000, 0.0001179100000000 ] - [ 0.0139815100000000, -0.0321862800000000, -0.0077296400000000 ] - [ -0.0001090800000000, 0.0002406200000000, -0.0002383100000000 ] - [ -0.0000910700000000, -0.0001834000000000, -0.0000024900000000 ] - [ 0.0001906800000000, 0.0000059200000000, -0.0000616900000000 ] - [ -0.0001310300000000, -0.0002553200000000, -0.0002295400000000 ] - [ -0.0000084800000000, 0.0001960200000000, 0.0000873300000000 ] - [ -0.0001464000000000, 0.0002286700000000, 0.0000386000000000 ] - [ 0.0012508700000000, 0.0064089700000000, 0.0001433500000000 ] - [ -0.0000844200000000, -0.0002071700000000, -0.0001553600000000 ] - [ -0.0000716500000000, -0.0005218100000000, -0.0004074900000000 ] - [ 0.0001042700000000, 0.0000160000000000, 0.0000708200000000 ] - [ 0.0001985600000000, -0.0000737100000000, -0.0001079900000000 ] - [ -0.0005859600000000, 0.0003075000000000, 0.0001237800000000 ] - [ 0.0010555100000000, -0.0019705800000000, 0.0001586600000000 ] - [ 0.0007779400000000, -0.0009068600000000, -0.0002036700000000 ] - [ -0.0004170600000000, 0.0006339200000000, 0.0005509700000000 ] - [ -0.0000319200000000, 0.0002540000000000, -0.0000953200000000 ] - [ 0.0002372800000000, 0.0000253000000000, -0.0000211700000000 ] - [ 0.0002306500000000, 0.0004349100000000, 0.0000075700000000 ] - [ 0.0003153900000000, 0.0003303000000000, 0.0006571300000000 ] - [ -0.0004261100000000, -0.0000179800000000, -0.0003326900000000 ] - [ -0.0002468700000000, 0.0006546600000000, 0.0046052000000000 ] - [ -0.0001448300000000, -0.0000744300000000, -0.0002765500000000 ] - [ -0.0001611900000000, 0.0000129400000000, -0.0001677900000000 ] - [ -0.0000952300000000, -0.0001515800000000, 0.0001958200000000 ] - [ 0.0000691900000000, 0.0002924600000000, 0.0019647900000000 ] - [ 0.0000485100000000, -0.0001184200000000, 0.0002089300000000 ] - [ 0.0003984600000000, -0.0000403500000000, 0.0000589200000000 ] - [ 0.0002436300000000, 0.0000002600000000, -0.0002384200000000 ] - [ 0.0000138300000000, 0.0000452400000000, 0.0003393000000000 ] - [ 0.0001076500000000, 0.0000324900000000, 0.0002869200000000 ] - [ 0.0002353200000000, 0.0000771200000000, -0.0001520900000000 ] - [ -0.0005366900000000, 0.0004541400000000, 0.0001621900000000 ] - [ -0.0001735100000000, 0.0003377700000000, 0.0000113100000000 ] - [ -0.0000533800000000, 0.0001577500000000, -0.0001241200000000 ] - [ -0.0001996100000000, -0.0002785700000000, -0.0000411600000000 ] - [ -0.0001134900000000, -0.0000415100000000, 0.0001844500000000 ] - [ 0.0003845000000000, -0.0000509200000000, -0.0004005200000000 ] - [ -0.0002572400000000, 0.0014225500000000, 0.0001353900000000 ] - [ -0.0001065200000000, -0.0000138200000000, -0.0001618500000000 ] - [ -0.0001032700000000, 0.0001390000000000, -0.0000711000000000 ] - [ -0.0002485600000000, -0.0007270600000000, 0.0005780000000000 ] - [ 0.0002958500000000, 0.0002216500000000, 0.0001160200000000 ] - [ -0.0001507600000000, 0.0003489800000000, -0.0005017700000000 ] - [ 0.0003893600000000, 0.0003226600000000, 0.0005565100000000 ] - [ -0.0005244500000000, -0.0019250200000000, -0.0021017000000000 ] - [ 0.0001866800000000, -0.0001054900000000, -0.0001150400000000 ] - [ -0.0001617100000000, 0.0001194700000000, 0.0001773500000000 ] - [ -0.0001986900000000, -0.0012999900000000, -0.0004055600000000 ] - [ 0.0003848600000000, 0.0024418000000000, 0.0001329500000000 ] - [ -0.0001754700000000, 0.0001896200000000, -0.0001385500000000 ] - [ -0.0002070000000000, -0.0005900500000000, 0.0007139700000000 ] - [ -0.0003736700000000, 0.0000134300000000, -0.0004028600000000 ] - [ -0.0001189900000000, -0.0002387100000000, 0.0000319400000000 ] - [ -0.0003713900000000, 0.0005422300000000, -0.0004935000000000 ] - [ -0.0002804000000000, 0.0007095200000000, -0.0004134000000000 ] - [ 0.0001281400000000, 0.0002780800000000, 0.0002804200000000 ] - [ 0.0001227800000000, 0.0001338400000000, -0.0002647800000000 ] - [ -0.0001322200000000, -0.0001384500000000, -0.0001053000000000 ] - [ 0.0000894800000000, -0.0000784900000000, -0.0002197200000000 ] - [ -0.0003066600000000, -0.0004846700000000, 0.0004791200000000 ] - [ 0.0011490700000000, 0.0017150700000000, -0.0001503100000000 ] - [ -0.0000253800000000, 0.0001143300000000, 0.0000868100000000 ] - [ 0.0026398800000000, 0.0005353000000000, -0.0028939700000000 ] - [ -0.0000101000000000, 0.0001615400000000, -0.0012747400000000 ] - [ -0.0007686600000000, 0.0020419800000000, 0.0000289400000000 ] - [ -0.0000513700000000, -0.0001281700000000, 0.0003823900000000 ] - [ -0.0000679300000000, -0.0000542400000000, -0.0003402800000000 ] - [ 0.0000872600000000, 0.0002946500000000, -0.0002038200000000 ] - [ -0.0002076800000000, -0.0000733600000000, -0.0004624200000000 ] - [ -0.0004148600000000, -0.0001578900000000, 0.0011481500000000 ] - [ 0.0000510000000000, -0.0000761600000000, -0.0000026900000000 ] - [ 0.0001124600000000, -0.0002177400000000, -0.0002152800000000 ] - [ 0.0014343400000000, -0.0012981800000000, -0.0046794900000000 ] - [ -0.0001944800000000, 0.0013571600000000, 0.0006180300000000 ] - [ 0.0003663800000000, -0.0000109500000000, -0.0000170100000000 ] - [ -0.0136131300000000, 0.0010466300000000, -0.0031596600000000 ] - [ 0.0001273100000000, -0.0002231900000000, 0.0005109500000000 ] - [ -0.0000773300000000, 0.0003082600000000, -0.0005624100000000 ] - [ -0.0001739800000000, -0.0003382400000000, 0.0002271300000000 ] - [ -0.0092413100000000, 0.0079381200000000, 0.0025939100000000 ] - [ 0.0010874700000000, 0.0048211400000000, 0.0024338000000000 ] - [ 0.0001781200000000, -0.0010200200000000, 0.0000284500000000 ] - [ 0.0002658000000000, 0.0002704600000000, 0.0001278400000000 ] - [ 0.0001968600000000, 0.0001150900000000, 0.0001262200000000 ] - [ -0.0006698800000000, -0.0010069800000000, 0.0005191000000000 ] - [ 0.0001091400000000, 0.0001982000000000, 0.0014854900000000 ] - [ -0.0000545100000000, 0.0001477500000000, -0.0002253700000000 ] - [ 0.0000946000000000, 0.0000724300000000, -0.0003118500000000 ] - [ 0.0000617400000000, -0.0000220700000000, 0.0002598200000000 ] - [ -0.0002594800000000, 0.0000865200000000, -0.0003446800000000 ] - [ 0.0002680200000000, 0.0003639800000000, -0.0005414100000000 ] - [ 0.0003068200000000, 0.0002823200000000, -0.0003636000000000 ] - [ 0.0000230600000000, 0.0000389500000000, 0.0004085100000000 ] - [ -0.0011192000000000, 0.0022436000000000, 0.0012715100000000 ] - [ 0.0006145100000000, 0.0000282500000000, 0.0004419900000000 ] - [ -0.0004252900000000, -0.0007126400000000, -0.0005236100000000 ] - [ 0.0000659500000000, -0.0001084100000000, -0.0002564900000000 ] - [ 0.0000753000000000, -0.0007452100000000, -0.0002870700000000 ] - [ -0.0001435400000000, -0.0000317000000000, -0.0003300500000000 ] - [ -0.0012772400000000, 0.0021338800000000, 0.0004045700000000 ] - [ -0.0002034000000000, 0.0002595100000000, 0.0000643900000000 ] - [ 0.0001165600000000, 0.0002132500000000, -0.0000708600000000 ] - [ 0.0003316100000000, -0.0001770200000000, 0.0001008700000000 ] - [ -0.0000621100000000, 0.0001134800000000, 0.0000084400000000 ] - [ 0.0001286000000000, -0.0001628000000000, 0.0007674700000000 ] - [ -0.0001207300000000, 0.0000167100000000, -0.0002606200000000 ] - [ -0.0000246900000000, 0.0000444100000000, 0.0002053800000000 ] - [ -0.0000805200000000, -0.0008450200000000, -0.0001767000000000 ] - [ 0.0000835300000000, 0.0002768800000000, -0.0001734200000000 ] - [ -0.0000083700000000, 0.0000206700000000, 0.0000125200000000 ] - [ 0.0003596200000000, -0.0004308500000000, 0.0001133900000000 ] - [ 0.0001535400000000, -0.0003804000000000, 0.0004343500000000 ] - [ -0.0018681800000000, 0.0055004500000000, 0.0018034400000000 ] - [ 0.0002131200000000, 0.0001665200000000, 0.0001583200000000 ] - [ -0.0000933200000000, 0.0000212600000000, -0.0001158100000000 ] - [ 0.0000811900000000, -0.0002097300000000, -0.0003604000000000 ] - [ -0.0002555000000000, 0.0000045600000000, -0.0001246600000000 ] - [ 0.0001280800000000, 0.0002538600000000, -0.0001282500000000 ] - [ -0.0002608700000000, 0.0000000200000000, -0.0002543800000000 ] - [ -0.0002469700000000, -0.0009495800000000, 0.0000680000000000 ] - [ 0.0025895800000000, -0.0000190600000000, 0.0023991800000000 ] - [ 0.0000355100000000, -0.0002233900000000, -0.0000552500000000 ] - [ -0.0000312400000000, -0.0001895400000000, 0.0002429300000000 ] - [ -0.0002038900000000, 0.0000110700000000, -0.0002973000000000 ] - [ -0.0002696300000000, 0.0002832200000000, 0.0001441900000000 ] - [ 0.0034271700000000, -0.0011364200000000, 0.0007030700000000 ] - [ 0.0001608400000000, -0.0002915500000000, -0.0001385100000000 ] - [ 0.0002706200000000, -0.0002291700000000, -0.0005367600000000 ] - [ -0.0008684600000000, -0.0006775200000000, 0.0002070100000000 ] - [ -0.0003353000000000, 0.0005079400000000, 0.0004518000000000 ] - [ -0.0002033200000000, -0.0000279300000000, -0.0002184600000000 ] - [ 0.0000507200000000, -0.0001883500000000, 0.0007266000000000 ] - [ 0.0003254600000000, 0.0000986200000000, -0.0011499700000000 ] - [ -0.0001690300000000, 0.0003766200000000, -0.0000436900000000 ] - [ 0.0001518500000000, -0.0000684700000000, 0.0000643400000000 ] - [ 0.0000374300000000, -0.0000995800000000, -0.0001696000000000 ] - [ 0.0000761100000000, -0.0000791700000000, 0.0002308000000000 ] - [ 0.0000082100000000, -0.0000249400000000, -0.0000058800000000 ] - [ 0.0000168600000000, 0.0000282800000000, -0.0003916800000000 ] - [ -0.0002676900000000, -0.0003757200000000, 0.0003909000000000 ] - [ 0.0001687000000000, 0.0000090100000000, -0.0000002900000000 ] - [ -0.0047262900000000, 0.0016882400000000, -0.0012072600000000 ] - [ 0.0001331400000000, 0.0001590800000000, 0.0001676600000000 ] - [ -0.0000332100000000, -0.0000561800000000, 0.0000129000000000 ] - [ 0.0000547600000000, 0.0000468100000000, -0.0001664300000000 ] - [ 0.0015756300000000, -0.0014378300000000, -0.0024432200000000 ] - [ -0.0009516700000000, 0.0025629000000000, 0.0010005900000000 ] - [ 0.0014508000000000, -0.0024745700000000, -0.0001899000000000 ] - [ -0.0002940900000000, -0.0001235700000000, 0.0017764400000000 ] - [ 0.0007948500000000, -0.0020967200000000, -0.0012504100000000 ] - [ 0.0003980800000000, -0.0001406000000000, -0.0003335500000000 ] - [ 0.0001010100000000, -0.0001396100000000, -0.0000560000000000 ] - [ 0.0000491500000000, 0.0002077000000000, -0.0002866600000000 ] - [ -0.0020388300000000, 0.0002268200000000, -0.0005517200000000 ] - [ -0.0000458700000000, 0.0000616200000000, 0.0000324200000000 ] - [ -0.0004466000000000, -0.0006303700000000, 0.0006510700000000 ] - [ -0.0001255400000000, -0.0001473900000000, -0.0000507300000000 ] - [ 0.0006317100000000, -0.0000676400000000, 0.0000731300000000 ] - [ 0.0000613700000000, -0.0001230900000000, 0.0002283800000000 ] - [ -0.0000059100000000, -0.0000853100000000, 0.0002000000000000 ] - [ 0.0000270400000000, 0.0000227500000000, -0.0000425800000000 ] - [ -0.0002640100000000, -0.0000336700000000, -0.0001250700000000 ] - [ 0.0034249500000000, 0.0024220600000000, 0.0001540300000000 ] - [ 0.0001649800000000, 0.0000574900000000, -0.0000690900000000 ] - [ -0.0007849700000000, -0.0008387900000000, 0.0014537800000000 ] - [ -0.0003612200000000, -0.0004119400000000, -0.0000997000000000 ] - [ 0.0035652300000000, -0.0025577100000000, 0.0000506000000000 ] - [ 0.0000136500000000, -0.0000080000000000, -0.0000018300000000 ] - [ -0.0000092600000000, -0.0000092000000000, -0.0003156200000000 ] - [ -0.0000199100000000, -0.0000297000000000, 0.0000867300000000 ] - [ -0.0002108400000000, 0.0000356700000000, 0.0002446400000000 ] - [ 0.0004544500000000, 0.0003308400000000, 0.0000200300000000 ] - [ 0.0000100500000000, 0.0000017900000000, 0.0001195600000000 ] - [ 0.0006099500000000, 0.0071691600000000, 0.0033523300000000 ] - [ 0.0001419700000000, 0.0002211100000000, 0.0001181300000000 ] - [ 0.0001344100000000, -0.0002539200000000, 0.0000468200000000 ] - [ 0.0000291400000000, -0.0000625100000000, -0.0003300300000000 ] - [ -0.0002619600000000, 0.0003469200000000, -0.0005626500000000 ] - [ 0.0001621100000000, -0.0009491300000000, 0.0000340100000000 ] - [ -0.0000527400000000, 0.0000657200000000, -0.0003978700000000 ] - [ 0.0000791500000000, -0.0002467500000000, 0.0001823700000000 ] - [ 0.0000376200000000, 0.0000211600000000, -0.0003389300000000 ] - [ 0.0002809300000000, 0.0000732600000000, 0.0005229500000000 ] - [ -0.0000000900000000, 0.0000100200000000, 0.0000575200000000 ] - [ -0.0002040300000000, -0.0001075000000000, 0.0001029400000000 ]- atom: 4 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0004039400000000, -0.0003563400000000, -0.0001704900000000 ] - [ 0.0010780900000000, 0.0007779500000000, 0.0001783800000000 ] - [ -0.0002904700000000, -0.0001152200000000, 0.0001579100000000 ] - [ -0.0139606100000000, 0.0315234000000000, 0.0078199200000000 ] - [ -0.0001400500000000, 0.0002047500000000, -0.0002045100000000 ] - [ -0.0001301700000000, -0.0002010800000000, -0.0000050700000000 ] - [ 0.0002621800000000, -0.0000008300000000, 0.0000506200000000 ] - [ -0.0001283900000000, -0.0001934500000000, -0.0002095300000000 ] - [ -0.0001195900000000, 0.0000500400000000, 0.0000257000000000 ] - [ -0.0000884100000000, 0.0001612500000000, -0.0000500900000000 ] - [ -0.0012130700000000, -0.0060489200000000, 0.0001045500000000 ] - [ -0.0000540900000000, -0.0002292200000000, -0.0000930900000000 ] - [ -0.0001274300000000, 0.0001150200000000, -0.0001830100000000 ] - [ -0.0000745600000000, -0.0001731300000000, 0.0004310700000000 ] - [ 0.0002313300000000, -0.0000333700000000, -0.0001480100000000 ] - [ 0.0004650000000000, -0.0005128200000000, 0.0002162500000000 ] - [ -0.0008248100000000, 0.0019772600000000, 0.0001795700000000 ] - [ -0.0005250200000000, 0.0010638100000000, 0.0004477100000000 ] - [ 0.0003852200000000, -0.0003371800000000, -0.0004374200000000 ] - [ -0.0001621000000000, 0.0001741600000000, -0.0004932000000000 ] - [ 0.0002172600000000, -0.0000331100000000, 0.0000094600000000 ] - [ 0.0000397700000000, -0.0003124500000000, 0.0001050500000000 ] - [ -0.0002595500000000, -0.0007597900000000, -0.0002290200000000 ] - [ 0.0005381100000000, 0.0000251400000000, 0.0006066500000000 ] - [ 0.0005336900000000, -0.0006545000000000, -0.0039943500000000 ] - [ -0.0001069800000000, -0.0002998700000000, -0.0003111600000000 ] - [ 0.0000525000000000, 0.0001923400000000, -0.0001644900000000 ] - [ -0.0000556400000000, 0.0000991200000000, 0.0003046700000000 ] - [ 0.0002619700000000, -0.0000359900000000, -0.0015435300000000 ] - [ -0.0000331200000000, 0.0002773600000000, 0.0002885900000000 ] - [ 0.0003499400000000, 0.0000284100000000, -0.0000175200000000 ] - [ 0.0002659600000000, 0.0000069100000000, -0.0002042000000000 ] - [ 0.0001148800000000, 0.0000482900000000, 0.0001572200000000 ] - [ 0.0000226200000000, -0.0001393500000000, 0.0002091600000000 ] - [ 0.0002010100000000, 0.0000270300000000, -0.0001047600000000 ] - [ 0.0002911400000000, -0.0005771500000000, 0.0000879800000000 ] - [ -0.0002108000000000, 0.0003046700000000, 0.0000302200000000 ] - [ -0.0000744100000000, 0.0002718000000000, -0.0001325000000000 ] - [ -0.0001782600000000, -0.0003748300000000, 0.0000790900000000 ] - [ -0.0000192800000000, -0.0001871500000000, -0.0000668900000000 ] - [ 0.0000852900000000, 0.0000968900000000, -0.0001889600000000 ] - [ 0.0004898900000000, -0.0016069400000000, 0.0001104000000000 ] - [ -0.0000045100000000, -0.0001769100000000, -0.0001779800000000 ] - [ -0.0001194100000000, 0.0002559200000000, 0.0000597900000000 ] - [ 0.0002170600000000, 0.0004201900000000, -0.0004743600000000 ] - [ 0.0000446700000000, -0.0004724500000000, 0.0003088500000000 ] - [ -0.0001375500000000, 0.0000173100000000, -0.0000850900000000 ] - [ -0.0006366200000000, -0.0005067900000000, -0.0004551900000000 ] - [ 0.0002756500000000, 0.0021157700000000, 0.0022052900000000 ] - [ 0.0000449900000000, 0.0001143700000000, -0.0002186200000000 ] - [ 0.0000030300000000, -0.0000597100000000, 0.0003180800000000 ] - [ -0.0001821000000000, 0.0014643300000000, 0.0008315500000000 ] - [ -0.0006705400000000, -0.0023486300000000, 0.0001103000000000 ] - [ -0.0001328600000000, 0.0001296200000000, -0.0001173400000000 ] - [ 0.0001425700000000, 0.0004821400000000, -0.0004466300000000 ] - [ 0.0006453900000000, -0.0001286300000000, 0.0005134200000000 ] - [ -0.0001036700000000, -0.0001451100000000, -0.0000392900000000 ] - [ -0.0000292000000000, -0.0007098700000000, 0.0009144200000000 ] - [ 0.0001394400000000, -0.0009545300000000, 0.0010011900000000 ] - [ -0.0002594900000000, -0.0000310100000000, 0.0003043100000000 ] - [ 0.0003363100000000, -0.0001994900000000, -0.0003211900000000 ] - [ -0.0001767500000000, -0.0001995600000000, -0.0001430900000000 ] - [ 0.0001881200000000, 0.0000900100000000, 0.0003335700000000 ] - [ 0.0003607200000000, 0.0003929800000000, 0.0001105000000000 ] - [ -0.0012186500000000, -0.0016006800000000, 0.0003840400000000 ] - [ 0.0000323200000000, -0.0001191700000000, 0.0000768200000000 ] - [ -0.0026358300000000, -0.0004874300000000, 0.0019010200000000 ] - [ 0.0002889900000000, 0.0003279600000000, 0.0011786000000000 ] - [ 0.0007691000000000, -0.0020377500000000, -0.0010148900000000 ] - [ 0.0000505200000000, 0.0001301200000000, 0.0005179700000000 ] - [ 0.0000671700000000, 0.0000545000000000, -0.0003358200000000 ] - [ 0.0001487000000000, 0.0001153000000000, -0.0002645900000000 ] - [ -0.0002578000000000, 0.0000729500000000, -0.0000112000000000 ] - [ -0.0001503100000000, 0.0001567000000000, -0.0012436700000000 ] - [ -0.0000591100000000, 0.0000803700000000, 0.0001655000000000 ] - [ 0.0001192500000000, -0.0001845400000000, -0.0002600200000000 ] - [ -0.0015342900000000, 0.0012985000000000, 0.0053027500000000 ] - [ 0.0002449600000000, -0.0012597300000000, -0.0000263100000000 ] - [ -0.0000834700000000, -0.0004789000000000, -0.0000831500000000 ] - [ 0.0136920600000000, -0.0010098300000000, 0.0034151500000000 ] - [ -0.0001120200000000, 0.0002145100000000, -0.0011010400000000 ] - [ 0.0000629000000000, -0.0002995500000000, -0.0000337300000000 ] - [ 0.0001684400000000, 0.0003402200000000, 0.0004772700000000 ] - [ 0.0092620700000000, -0.0080192300000000, -0.0023324400000000 ] - [ -0.0011490400000000, -0.0048700100000000, -0.0027248500000000 ] - [ -0.0001821500000000, 0.0010143000000000, -0.0002654800000000 ] - [ -0.0002618400000000, -0.0002671200000000, 0.0002000700000000 ] - [ -0.0000787400000000, -0.0003146500000000, 0.0001259900000000 ] - [ 0.0010942500000000, 0.0011877800000000, 0.0000271600000000 ] - [ 0.0005093700000000, -0.0002014500000000, -0.0010635200000000 ] - [ 0.0000535500000000, -0.0001486600000000, 0.0012895900000000 ] - [ 0.0001021600000000, 0.0002024500000000, -0.0003371700000000 ] - [ 0.0000960100000000, 0.0002945000000000, -0.0003540700000000 ] - [ -0.0000478900000000, -0.0000779500000000, 0.0002514200000000 ] - [ 0.0000000000000000, -0.0002118600000000, 0.0000430400000000 ] - [ -0.0003064400000000, -0.0002854800000000, -0.0004564900000000 ] - [ 0.0000594100000000, -0.0000432100000000, 0.0000415100000000 ] - [ 0.0006193800000000, -0.0018554300000000, -0.0008971400000000 ] - [ 0.0004927700000000, -0.0000231800000000, 0.0003631200000000 ] - [ -0.0012386000000000, 0.0006601600000000, -0.0004487000000000 ] - [ 0.0001357800000000, -0.0001679500000000, -0.0003928700000000 ] - [ -0.0001655600000000, 0.0005858500000000, 0.0000915600000000 ] - [ -0.0001968400000000, 0.0000685100000000, -0.0003196900000000 ] - [ 0.0021424300000000, -0.0007433800000000, -0.0013681500000000 ] - [ -0.0000224200000000, -0.0002578000000000, 0.0001883000000000 ] - [ 0.0001533200000000, 0.0002318200000000, -0.0001764100000000 ] - [ 0.0002362300000000, 0.0004173400000000, 0.0002780800000000 ] - [ -0.0000618700000000, 0.0001007600000000, -0.0000030400000000 ] - [ -0.0002616300000000, -0.0000691300000000, -0.0011441400000000 ] - [ 0.0001172700000000, 0.0002916300000000, -0.0002366500000000 ] - [ -0.0000207000000000, 0.0000251800000000, 0.0002454600000000 ] - [ 0.0003084500000000, 0.0004560800000000, -0.0001613900000000 ] - [ -0.0001788600000000, -0.0001282600000000, -0.0000240800000000 ] - [ 0.0000102600000000, -0.0000177700000000, -0.0000435300000000 ] - [ -0.0004320200000000, 0.0010393900000000, 0.0002656800000000 ] - [ -0.0001569200000000, 0.0003761000000000, 0.0011908500000000 ] - [ 0.0009449500000000, -0.0051425500000000, -0.0020849300000000 ] - [ -0.0000967900000000, 0.0000332100000000, 0.0000928500000000 ] - [ -0.0001199200000000, -0.0000295400000000, -0.0002198900000000 ] - [ 0.0000531900000000, -0.0000928700000000, -0.0002860000000000 ] - [ -0.0002664500000000, 0.0000021800000000, -0.0001219400000000 ] - [ 0.0001215800000000, 0.0002020300000000, -0.0001186200000000 ] - [ 0.0000011400000000, 0.0001648600000000, -0.0002454400000000 ] - [ -0.0000667700000000, 0.0004043200000000, 0.0003622000000000 ] - [ -0.0024430600000000, 0.0000238400000000, -0.0028972800000000 ] - [ 0.0001236400000000, -0.0000377200000000, -0.0000371600000000 ] - [ -0.0000472500000000, 0.0000438400000000, 0.0000761400000000 ] - [ -0.0001262400000000, -0.0000457300000000, -0.0003486700000000 ] - [ -0.0000500000000000, 0.0002589100000000, 0.0002831200000000 ] - [ -0.0037935600000000, 0.0013944000000000, -0.0001614800000000 ] - [ 0.0000961400000000, -0.0001853800000000, -0.0001102100000000 ] - [ 0.0000016400000000, 0.0000873400000000, 0.0000360700000000 ] - [ 0.0005153000000000, 0.0004067000000000, 0.0003382300000000 ] - [ -0.0002131900000000, 0.0004527500000000, 0.0003526700000000 ] - [ 0.0000724700000000, 0.0002687000000000, -0.0001509500000000 ] - [ -0.0000518900000000, 0.0001876900000000, 0.0003427400000000 ] - [ -0.0000520300000000, -0.0000902900000000, 0.0007765200000000 ] - [ 0.0000816100000000, -0.0002208000000000, 0.0003572900000000 ] - [ -0.0004130500000000, -0.0000886000000000, -0.0005622700000000 ] - [ 0.0000613300000000, -0.0000888600000000, -0.0001659600000000 ] - [ 0.0001006100000000, 0.0000821200000000, 0.0000842100000000 ] - [ -0.0000071200000000, 0.0000284100000000, -0.0000255300000000 ] - [ -0.0000149300000000, -0.0000249600000000, -0.0004820100000000 ] - [ -0.0002832600000000, -0.0005793500000000, 0.0004140400000000 ] - [ 0.0000788000000000, -0.0000092100000000, 0.0000057700000000 ] - [ 0.0055847500000000, -0.0020237500000000, 0.0017947900000000 ] - [ -0.0002084100000000, -0.0007794400000000, 0.0002104200000000 ] - [ -0.0000892700000000, -0.0001553100000000, -0.0000076600000000 ] - [ 0.0000470000000000, 0.0001297300000000, -0.0001686200000000 ] - [ -0.0016480000000000, 0.0013328600000000, 0.0019362500000000 ] - [ 0.0011411700000000, -0.0025477100000000, -0.0012409400000000 ] - [ -0.0012477600000000, 0.0028661000000000, -0.0001482700000000 ] - [ 0.0002882200000000, 0.0001087300000000, -0.0001384000000000 ] - [ 0.0000687700000000, 0.0006785600000000, 0.0002763300000000 ] - [ 0.0003862600000000, 0.0015969100000000, -0.0006379900000000 ] - [ 0.0001657900000000, -0.0003093800000000, -0.0001909400000000 ] - [ 0.0000898900000000, 0.0001001900000000, -0.0003618500000000 ] - [ 0.0003738000000000, -0.0001920000000000, -0.0004166600000000 ] - [ 0.0000420200000000, -0.0003677900000000, -0.0005301600000000 ] - [ 0.0012404500000000, -0.0008483500000000, -0.0016307000000000 ] - [ 0.0000374000000000, 0.0000062500000000, 0.0003682500000000 ] - [ -0.0000447300000000, -0.0001717500000000, 0.0003047500000000 ] - [ -0.0001448900000000, 0.0002581000000000, 0.0000922800000000 ] - [ -0.0000384000000000, 0.0000086000000000, 0.0002521500000000 ] - [ -0.0000300300000000, -0.0000277700000000, -0.0000362600000000 ] - [ -0.0002775200000000, 0.0000179000000000, -0.0001235600000000 ] - [ -0.0034644300000000, -0.0019520400000000, 0.0003909100000000 ] - [ -0.0000063100000000, -0.0000621900000000, 0.0003883600000000 ] - [ 0.0002876700000000, 0.0004698500000000, -0.0010882000000000 ] - [ 0.0003006600000000, 0.0005281600000000, -0.0004077700000000 ] - [ -0.0036309400000000, 0.0021162300000000, 0.0004897700000000 ] - [ 0.0000279400000000, -0.0000785800000000, -0.0000475400000000 ] - [ -0.0001063900000000, -0.0001925300000000, 0.0005176700000000 ] - [ 0.0000163200000000, 0.0000126000000000, 0.0000702600000000 ] - [ -0.0002466200000000, -0.0000295000000000, 0.0000935400000000 ] - [ -0.0004287900000000, -0.0003775000000000, 0.0000084100000000 ] - [ -0.0000127400000000, -0.0000072200000000, 0.0000361300000000 ] - [ -0.0005786700000000, -0.0071089700000000, -0.0032418900000000 ] - [ 0.0000909100000000, 0.0001821500000000, 0.0002186600000000 ] - [ -0.0000910200000000, 0.0003281800000000, -0.0001029900000000 ] - [ -0.0000118700000000, 0.0000931800000000, -0.0003723400000000 ] - [ 0.0001645900000000, -0.0003506000000000, 0.0005167500000000 ] - [ -0.0001339700000000, 0.0009965900000000, -0.0000077300000000 ] - [ 0.0000375700000000, -0.0000579100000000, -0.0003082800000000 ] - [ 0.0001543300000000, -0.0001464500000000, 0.0001556800000000 ] - [ -0.0000240500000000, -0.0000303500000000, -0.0003675300000000 ] - [ -0.0000433100000000, -0.0000698800000000, -0.0003218300000000 ] - [ -0.0000135100000000, -0.0000213800000000, 0.0000992900000000 ] - [ 0.0000868400000000, 0.0003162500000000, 0.0000963300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000566100000000, 0.0002824300000000, 0.0000757100000000 ] - [ -0.0000266600000000, 0.0000921100000000, -0.0004221300000000 ] - [ -0.0004934300000000, -0.0001730500000000, 0.0000505700000000 ] - [ -0.0084635500000000, -0.0140995400000000, -0.0269992800000000 ] - [ -0.0001455700000000, 0.0001929800000000, 0.0001441800000000 ] - [ -0.0001105100000000, -0.0001749300000000, 0.0003954600000000 ] - [ 0.0002569200000000, -0.0000075600000000, 0.0003626800000000 ] - [ -0.0001514900000000, -0.0001933800000000, 0.0001557800000000 ] - [ 0.0000300100000000, 0.0000749100000000, 0.0003076100000000 ] - [ -0.0001300100000000, 0.0002228100000000, 0.0003622000000000 ] - [ -0.0000274600000000, 0.0001329500000000, -0.0026403800000000 ] - [ -0.0000543900000000, -0.0002585600000000, 0.0002423000000000 ] - [ 0.0000332500000000, 0.0000151200000000, 0.0008257900000000 ] - [ -0.0001124200000000, -0.0002827100000000, 0.0008499500000000 ] - [ 0.0002335100000000, -0.0000160200000000, 0.0003114400000000 ] - [ -0.0000826800000000, -0.0000511500000000, -0.0004056500000000 ] - [ -0.0002047000000000, -0.0001505000000000, -0.0024287900000000 ] - [ 0.0004526600000000, -0.0001186300000000, -0.0015425100000000 ] - [ -0.0000854100000000, 0.0001805300000000, -0.0002635200000000 ] - [ -0.0001591600000000, 0.0005145900000000, 0.0001263800000000 ] - [ 0.0002324200000000, -0.0000450200000000, 0.0003591100000000 ] - [ 0.0000649500000000, -0.0004387500000000, -0.0002968600000000 ] - [ 0.0003403100000000, 0.0003133400000000, 0.0005923600000000 ] - [ 0.0001628400000000, -0.0000331400000000, 0.0000509300000000 ] - [ -0.0021668800000000, 0.0037388400000000, 0.0036934000000000 ] - [ -0.0001442600000000, -0.0002363900000000, -0.0001083000000000 ] - [ -0.0001074600000000, 0.0001620200000000, -0.0000076100000000 ] - [ 0.0000818500000000, 0.0000134700000000, 0.0005217400000000 ] - [ -0.0006597500000000, 0.0016167500000000, 0.0015315700000000 ] - [ -0.0002046100000000, 0.0002465300000000, 0.0009638900000000 ] - [ 0.0003823800000000, 0.0000457400000000, 0.0004889600000000 ] - [ 0.0002381500000000, 0.0000031300000000, 0.0001333100000000 ] - [ -0.0000490600000000, 0.0000696500000000, 0.0004810200000000 ] - [ -0.0000216000000000, 0.0000069600000000, 0.0004932500000000 ] - [ 0.0002475200000000, 0.0000159100000000, 0.0002281000000000 ] - [ -0.0000903600000000, -0.0000953600000000, -0.0004372300000000 ] - [ -0.0002376400000000, 0.0003040700000000, 0.0003855500000000 ] - [ -0.0000446600000000, 0.0002463300000000, 0.0003110700000000 ] - [ -0.0001622300000000, -0.0003768600000000, 0.0004105200000000 ] - [ -0.0001027100000000, 0.0000338800000000, 0.0003337400000000 ] - [ -0.0002138800000000, -0.0000186500000000, 0.0002439900000000 ] - [ 0.0001244500000000, -0.0000757700000000, -0.0004530500000000 ] - [ -0.0000996100000000, -0.0001621800000000, -0.0000157100000000 ] - [ -0.0000749300000000, 0.0002207600000000, 0.0004600300000000 ] - [ -0.0006916300000000, 0.0000543300000000, -0.0002357700000000 ] - [ 0.0002361300000000, -0.0006517400000000, 0.0000679500000000 ] - [ 0.0000357000000000, -0.0002312800000000, 0.0002457700000000 ] - [ 0.0004003700000000, 0.0008535400000000, 0.0001271500000000 ] - [ 0.0040383400000000, -0.0000636800000000, 0.0034019000000000 ] - [ 0.0004439800000000, 0.0001025900000000, 0.0002276200000000 ] - [ 0.0000083400000000, -0.0000552400000000, 0.0004849600000000 ] - [ 0.0015098300000000, 0.0000940800000000, 0.0015315700000000 ] - [ -0.0004653400000000, 0.0002496600000000, -0.0015415800000000 ] - [ -0.0001676700000000, 0.0001868000000000, 0.0002191400000000 ] - [ -0.0007420700000000, 0.0001969300000000, 0.0001202900000000 ] - [ 0.0002040300000000, -0.0000819200000000, -0.0002620500000000 ] - [ -0.0001614900000000, -0.0001922000000000, 0.0003913600000000 ] - [ 0.0003635200000000, -0.0006102100000000, 0.0001311800000000 ] - [ 0.0004352600000000, -0.0006164100000000, -0.0000146400000000 ] - [ -0.0004569800000000, -0.0001812200000000, -0.0000822900000000 ] - [ 0.0002804900000000, -0.0000537500000000, -0.0001018300000000 ] - [ -0.0001630800000000, -0.0001887700000000, 0.0002872100000000 ] - [ 0.0003733400000000, -0.0000833300000000, 0.0007829800000000 ] - [ 0.0004928200000000, 0.0000368600000000, -0.0002292200000000 ] - [ 0.0002036400000000, 0.0005014600000000, -0.0020387600000000 ] - [ 0.0000008800000000, 0.0000423000000000, 0.0010951000000000 ] - [ -0.0061466600000000, -0.0103202800000000, 0.0036109500000000 ] - [ 0.0007504800000000, -0.0001509300000000, 0.0009322300000000 ] - [ -0.0005024200000000, 0.0009782500000000, -0.0006176400000000 ] - [ -0.0003525600000000, -0.0000476500000000, 0.0013500300000000 ] - [ -0.0000007100000000, 0.0000303000000000, 0.0005692500000000 ] - [ 0.0001123600000000, 0.0002093800000000, 0.0006930000000000 ] - [ -0.0002179100000000, -0.0000013100000000, 0.0012947400000000 ] - [ -0.0008936100000000, 0.0003356600000000, 0.0009621000000000 ] - [ -0.0000478300000000, -0.0000700100000000, 0.0014983100000000 ] - [ 0.0001224200000000, -0.0002034700000000, 0.0006901300000000 ] - [ -0.0015958200000000, -0.0028276300000000, 0.0099360100000000 ] - [ -0.0001404700000000, 0.0004832800000000, -0.0002267700000000 ] - [ 0.0000817400000000, -0.0003039900000000, 0.0003049800000000 ] - [ -0.0005321000000000, -0.0004566900000000, -0.0039271800000000 ] - [ 0.0001592700000000, 0.0002645400000000, 0.0015999400000000 ] - [ 0.0000963700000000, -0.0002467400000000, 0.0003935900000000 ] - [ 0.0011269200000000, 0.0000786400000000, -0.0009646300000000 ] - [ -0.0001386500000000, -0.0008363100000000, -0.0039944300000000 ] - [ 0.0025069700000000, 0.0042410500000000, 0.0048027600000000 ] - [ -0.0001227200000000, 0.0002217400000000, 0.0003226500000000 ] - [ 0.0003263600000000, 0.0000199700000000, 0.0005204800000000 ] - [ -0.0001080500000000, -0.0000915800000000, 0.0004096800000000 ] - [ -0.0000635800000000, -0.0004510500000000, 0.0013297600000000 ] - [ -0.0004562700000000, 0.0006717600000000, -0.0018596700000000 ] - [ -0.0001474800000000, -0.0002526900000000, -0.0007566100000000 ] - [ 0.0001487500000000, 0.0002290000000000, -0.0006584900000000 ] - [ -0.0000064900000000, 0.0003741800000000, -0.0003911700000000 ] - [ 0.0001091000000000, -0.0001684400000000, -0.0004319200000000 ] - [ 0.0003804300000000, 0.0000954700000000, -0.0005807100000000 ] - [ -0.0002427400000000, -0.0000383800000000, 0.0005171800000000 ] - [ 0.0000437700000000, 0.0000230100000000, -0.0008483000000000 ] - [ 0.0006998800000000, -0.0001378700000000, -0.0019026700000000 ] - [ 0.0006031400000000, 0.0000164300000000, 0.0002010400000000 ] - [ -0.0005503700000000, -0.0001811700000000, -0.0002328100000000 ] - [ 0.0001645500000000, -0.0002135200000000, -0.0008232300000000 ] - [ 0.0000678700000000, -0.0002832800000000, 0.0003902100000000 ] - [ -0.0002937900000000, 0.0000088200000000, -0.0006695800000000 ] - [ 0.0027643900000000, 0.0046392200000000, -0.0008581900000000 ] - [ -0.0011715600000000, -0.0001465500000000, 0.0003518000000000 ] - [ 0.0002293400000000, 0.0004083700000000, -0.0006163700000000 ] - [ 0.0004591600000000, -0.0000572800000000, 0.0002642700000000 ] - [ -0.0000076500000000, 0.0000096000000000, -0.0003365600000000 ] - [ -0.0005374100000000, 0.0001454900000000, -0.0007421100000000 ] - [ -0.0000206600000000, 0.0001207700000000, -0.0004822700000000 ] - [ -0.0000375600000000, 0.0000229600000000, -0.0003668800000000 ] - [ -0.0000880600000000, -0.0001941300000000, 0.0006142800000000 ] - [ -0.0002815300000000, 0.0000726400000000, 0.0003892800000000 ] - [ 0.0000048400000000, 0.0000072900000000, -0.0009085900000000 ] - [ -0.0000225600000000, 0.0002069000000000, 0.0002558800000000 ] - [ 0.0000936400000000, -0.0002057200000000, 0.0007861300000000 ] - [ -0.0002187000000000, 0.0006672600000000, 0.0029975000000000 ] - [ -0.0001641900000000, 0.0000248000000000, 0.0003962200000000 ] - [ -0.0002877900000000, -0.0000038500000000, -0.0006533600000000 ] - [ 0.0001339600000000, -0.0002917300000000, -0.0006937400000000 ] - [ -0.0003681900000000, -0.0000051000000000, -0.0004606800000000 ] - [ 0.0001813400000000, 0.0003152400000000, -0.0004728300000000 ] - [ -0.0001359900000000, 0.0002020900000000, -0.0004413500000000 ] - [ -0.0000960500000000, -0.0006077900000000, 0.0002998600000000 ] - [ -0.0003177400000000, 0.0005206800000000, 0.0023231100000000 ] - [ 0.0001921600000000, -0.0001030200000000, -0.0002491600000000 ] - [ -0.0001126900000000, 0.0000142700000000, -0.0001199100000000 ] - [ -0.0002618900000000, 0.0000055500000000, -0.0008220300000000 ] - [ -0.0003986900000000, 0.0003305300000000, 0.0002914500000000 ] - [ -0.0002557500000000, 0.0004995300000000, 0.0010158100000000 ] - [ 0.0001875900000000, -0.0003290100000000, -0.0004614800000000 ] - [ 0.0003960000000000, -0.0004092800000000, -0.0006163600000000 ] - [ -0.0000675500000000, -0.0003233300000000, 0.0010557100000000 ] - [ -0.0000337000000000, 0.0003851100000000, 0.0000662800000000 ] - [ -0.0000168000000000, 0.0002004800000000, -0.0003239400000000 ] - [ -0.0000878600000000, 0.0001820400000000, 0.0001830100000000 ] - [ 0.0006175600000000, -0.0002795000000000, -0.0007639500000000 ] - [ -0.0002242200000000, 0.0001719400000000, -0.0004241800000000 ] - [ -0.0005527100000000, -0.0000346700000000, -0.0006056300000000 ] - [ 0.0000903400000000, -0.0001635200000000, -0.0005000300000000 ] - [ 0.0000905400000000, 0.0001000700000000, -0.0001162800000000 ] - [ -0.0000017100000000, 0.0000005800000000, -0.0006953600000000 ] - [ 0.0000581500000000, 0.0000104000000000, -0.0010802900000000 ] - [ 0.0000025300000000, -0.0003450000000000, 0.0000429100000000 ] - [ 0.0000320400000000, -0.0000069200000000, -0.0003343000000000 ] - [ 0.0011452100000000, 0.0000954200000000, 0.0033503600000000 ] - [ -0.0003643000000000, -0.0004341300000000, 0.0002722600000000 ] - [ -0.0000251400000000, -0.0000370400000000, -0.0003410500000000 ] - [ 0.0000957300000000, 0.0001577000000000, -0.0005036400000000 ] - [ 0.0006257500000000, -0.0001064900000000, 0.0023617000000000 ] - [ 0.0000341100000000, -0.0000984200000000, 0.0001905700000000 ] - [ -0.0002147600000000, 0.0003141300000000, 0.0009920400000000 ] - [ 0.0011721100000000, 0.0019666900000000, -0.0022474900000000 ] - [ 0.0007698000000000, -0.0015844400000000, -0.0004718900000000 ] - [ 0.0003596400000000, 0.0003197900000000, -0.0002112500000000 ] - [ 0.0002250700000000, -0.0004086100000000, -0.0006319300000000 ] - [ 0.0001622000000000, 0.0003055000000000, -0.0008730900000000 ] - [ 0.0021978400000000, 0.0017812000000000, -0.0001550700000000 ] - [ -0.0003196200000000, 0.0000248300000000, -0.0006388800000000 ] - [ 0.0004968900000000, 0.0027792600000000, -0.0001533200000000 ] - [ -0.0002597400000000, -0.0004353400000000, -0.0004396100000000 ] - [ 0.0001982400000000, -0.0001562700000000, 0.0002564100000000 ] - [ -0.0001210100000000, 0.0002193000000000, -0.0001222600000000 ] - [ -0.0000065700000000, -0.0000470500000000, -0.0003661400000000 ] - [ -0.0000254100000000, -0.0000171000000000, -0.0006063900000000 ] - [ -0.0003716800000000, 0.0000018100000000, -0.0004698500000000 ] - [ 0.0001992700000000, 0.0000222400000000, 0.0014171300000000 ] - [ 0.0002566600000000, -0.0001167200000000, -0.0004209100000000 ] - [ 0.0009505900000000, 0.0019590800000000, -0.0020895600000000 ] - [ -0.0001033600000000, -0.0000758500000000, 0.0011414800000000 ] - [ 0.0002722800000000, -0.0001092600000000, 0.0010208400000000 ] - [ 0.0003200700000000, -0.0000153400000000, -0.0000717500000000 ] - [ 0.0002629200000000, -0.0004190400000000, -0.0001197000000000 ] - [ 0.0000139200000000, 0.0000100300000000, -0.0002822100000000 ] - [ -0.0003006300000000, 0.0000325000000000, -0.0001808800000000 ] - [ 0.0001979400000000, 0.0000036100000000, 0.0006090000000000 ] - [ -0.0000163400000000, -0.0000025800000000, -0.0003100000000000 ] - [ 0.0036814000000000, 0.0061349900000000, 0.0086442700000000 ] - [ 0.0001803100000000, 0.0001562900000000, -0.0001832900000000 ] - [ -0.0001054700000000, 0.0003104900000000, -0.0000745900000000 ] - [ 0.0000005500000000, 0.0000573600000000, -0.0006669700000000 ] - [ -0.0004314100000000, -0.0007420800000000, -0.0011281600000000 ] - [ -0.0000356100000000, 0.0002064700000000, 0.0006089100000000 ] - [ -0.0000628000000000, -0.0000679000000000, -0.0008759400000000 ] - [ 0.0001275600000000, -0.0001836200000000, -0.0001605100000000 ] - [ 0.0000498700000000, 0.0000111700000000, -0.0006713100000000 ] - [ -0.0003493500000000, 0.0001220100000000, -0.0001364700000000 ] - [ -0.0000095700000000, -0.0000229100000000, -0.0003137700000000 ] - [ 0.0000463900000000, 0.0002859800000000, -0.0000576200000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001085900000000, 0.0001366000000000, 0.0003533000000000 ] - [ -0.0000872200000000, 0.0001358000000000, 0.0007614000000000 ] - [ 0.0004437700000000, 0.0002772700000000, 0.0002293100000000 ] - [ 0.0083517300000000, 0.0135704100000000, 0.0270448200000000 ] - [ -0.0001028000000000, 0.0002516200000000, -0.0005853300000000 ] - [ -0.0001105100000000, -0.0002092300000000, -0.0004028700000000 ] - [ 0.0001961500000000, 0.0000124000000000, -0.0003736900000000 ] - [ -0.0001072900000000, -0.0002549800000000, -0.0005937500000000 ] - [ -0.0001576800000000, 0.0001699100000000, -0.0001890100000000 ] - [ -0.0001045300000000, 0.0001670900000000, -0.0003736500000000 ] - [ 0.0000406500000000, 0.0001319100000000, 0.0028893900000000 ] - [ -0.0000842100000000, -0.0001773400000000, -0.0004918000000000 ] - [ -0.0002322300000000, -0.0004212500000000, -0.0014098500000000 ] - [ 0.0001428700000000, 0.0001269700000000, -0.0003467100000000 ] - [ 0.0001962300000000, -0.0000911300000000, -0.0005682900000000 ] - [ -0.0000354000000000, -0.0001558700000000, 0.0007486100000000 ] - [ 0.0004391300000000, 0.0001545800000000, 0.0027736100000000 ] - [ -0.0002030600000000, 0.0002800300000000, 0.0017838800000000 ] - [ 0.0000553300000000, 0.0001150900000000, 0.0003718800000000 ] - [ -0.0000362100000000, -0.0000829400000000, -0.0007158800000000 ] - [ 0.0002222700000000, 0.0000368000000000, -0.0003706700000000 ] - [ 0.0002062000000000, 0.0005576400000000, 0.0004069200000000 ] - [ -0.0002850500000000, -0.0007436600000000, -0.0001649100000000 ] - [ -0.0000477200000000, 0.0000407100000000, 0.0002307300000000 ] - [ 0.0024228900000000, -0.0036857100000000, -0.0030800800000000 ] - [ -0.0001085800000000, -0.0001396700000000, -0.0004813500000000 ] - [ -0.0000018600000000, 0.0000441000000000, -0.0003262300000000 ] - [ -0.0002333500000000, -0.0000658300000000, -0.0000173200000000 ] - [ 0.0010005700000000, -0.0013783100000000, -0.0011130100000000 ] - [ 0.0002216000000000, -0.0000894800000000, -0.0004664300000000 ] - [ 0.0003656200000000, -0.0000572600000000, -0.0004470500000000 ] - [ 0.0002708500000000, 0.0000040000000000, -0.0005745100000000 ] - [ 0.0001785400000000, 0.0000232000000000, 0.0000191700000000 ] - [ 0.0001528200000000, -0.0001140500000000, 0.0000063000000000 ] - [ 0.0001881300000000, 0.0000879900000000, -0.0004857200000000 ] - [ -0.0001581200000000, -0.0000275400000000, 0.0006871900000000 ] - [ -0.0001468800000000, 0.0003378500000000, -0.0003438000000000 ] - [ -0.0000834100000000, 0.0001828900000000, -0.0005688300000000 ] - [ -0.0002150000000000, -0.0002767700000000, -0.0003723500000000 ] - [ -0.0000287900000000, -0.0002620900000000, -0.0002110200000000 ] - [ 0.0006819900000000, 0.0000642600000000, -0.0008327300000000 ] - [ 0.0001095300000000, -0.0001064000000000, 0.0006995300000000 ] - [ -0.0000110300000000, -0.0000289400000000, -0.0003253900000000 ] - [ -0.0001471100000000, 0.0001739000000000, -0.0004708200000000 ] - [ 0.0006560300000000, -0.0003561900000000, 0.0003348200000000 ] - [ 0.0001035200000000, 0.0004035000000000, 0.0003577100000000 ] - [ -0.0003228400000000, 0.0005955200000000, -0.0008326600000000 ] - [ -0.0006470700000000, -0.0010332700000000, -0.0000296500000000 ] - [ -0.0042247000000000, 0.0002423800000000, -0.0032629100000000 ] - [ -0.0002093300000000, -0.0000930800000000, -0.0005607600000000 ] - [ -0.0001671500000000, 0.0001151800000000, 0.0000148200000000 ] - [ -0.0019121500000000, 0.0000710100000000, -0.0011152100000000 ] - [ 0.0001921500000000, -0.0001320700000000, 0.0017848200000000 ] - [ -0.0001399200000000, 0.0001317200000000, -0.0004760000000000 ] - [ 0.0006818300000000, -0.0003092400000000, 0.0001532400000000 ] - [ 0.0000655700000000, -0.0000332900000000, 0.0003688500000000 ] - [ -0.0000612400000000, -0.0001915100000000, -0.0003984400000000 ] - [ -0.0007682000000000, 0.0004432200000000, 0.0002951100000000 ] - [ -0.0005722200000000, 0.0003721800000000, 0.0005942400000000 ] - [ 0.0003215400000000, 0.0004256800000000, 0.0006655800000000 ] - [ 0.0001805200000000, -0.0000125600000000, -0.0004868900000000 ] - [ -0.0001454600000000, -0.0001492100000000, -0.0005364500000000 ] - [ -0.0000991100000000, 0.0000954800000000, -0.0006680300000000 ] - [ -0.0004410100000000, -0.0001283300000000, 0.0008245200000000 ] - [ -0.0002745300000000, -0.0003923300000000, 0.0022750100000000 ] - [ 0.0000057500000000, -0.0000467100000000, -0.0009313100000000 ] - [ 0.0061224300000000, 0.0102778700000000, -0.0045657400000000 ] - [ -0.0004665600000000, 0.0006358600000000, -0.0010319800000000 ] - [ 0.0005004200000000, -0.0009782500000000, -0.0003772900000000 ] - [ 0.0003546300000000, 0.0000500900000000, -0.0004495300000000 ] - [ 0.0000006000000000, -0.0000298800000000, -0.0012462200000000 ] - [ 0.0001240600000000, 0.0002001800000000, -0.0011591600000000 ] - [ -0.0002474700000000, 0.0000012800000000, -0.0017700700000000 ] - [ 0.0003239400000000, -0.0003338600000000, -0.0010609700000000 ] - [ 0.0000392600000000, 0.0000730500000000, -0.0013332400000000 ] - [ 0.0001089600000000, -0.0001989400000000, -0.0011633600000000 ] - [ 0.0015278600000000, 0.0028904800000000, -0.0093544800000000 ] - [ 0.0001947300000000, -0.0003867500000000, 0.0008272700000000 ] - [ 0.0002008600000000, -0.0001866400000000, -0.0004078300000000 ] - [ 0.0007112900000000, 0.0004489700000000, 0.0041948000000000 ] - [ -0.0001446300000000, -0.0002751600000000, -0.0021935100000000 ] - [ -0.0001115300000000, 0.0002571000000000, -0.0009853000000000 ] - [ -0.0011257100000000, -0.0000775300000000, 0.0016583000000000 ] - [ 0.0000408200000000, 0.0007579600000000, 0.0042640600000000 ] - [ -0.0025900200000000, -0.0043825600000000, -0.0050976500000000 ] - [ 0.0001208500000000, -0.0002247100000000, -0.0005635000000000 ] - [ -0.0003250000000000, -0.0000156700000000, -0.0001948700000000 ] - [ 0.0002252300000000, -0.0001077200000000, -0.0001547800000000 ] - [ 0.0004918400000000, 0.0006338800000000, -0.0007839300000000 ] - [ 0.0010759300000000, -0.0006871800000000, 0.0022908600000000 ] - [ 0.0001480800000000, 0.0002544200000000, 0.0018215400000000 ] - [ 0.0000485800000000, 0.0000461400000000, 0.0000088900000000 ] - [ 0.0001629600000000, -0.0001010700000000, 0.0002969900000000 ] - [ -0.0004124100000000, 0.0001753400000000, 0.0003385400000000 ] - [ -0.0001114700000000, 0.0000550300000000, 0.0000824200000000 ] - [ 0.0002417400000000, 0.0000363700000000, -0.0013316500000000 ] - [ 0.0000387900000000, -0.0000276700000000, 0.0012998100000000 ] - [ -0.0012077600000000, 0.0005161900000000, 0.0022847500000000 ] - [ 0.0005025900000000, -0.0000115800000000, 0.0006021100000000 ] - [ -0.0011103600000000, 0.0001290300000000, -0.0007342500000000 ] - [ 0.0000374800000000, -0.0000628900000000, 0.0001723100000000 ] - [ -0.0001600300000000, 0.0001228800000000, -0.0005925900000000 ] - [ -0.0000467200000000, 0.0000277900000000, 0.0000192800000000 ] - [ -0.0019356000000000, -0.0032998500000000, 0.0001051000000000 ] - [ 0.0009398500000000, 0.0001473400000000, -0.0000958700000000 ] - [ 0.0000406900000000, 0.0000360600000000, 0.0003697600000000 ] - [ 0.0001058500000000, 0.0002979000000000, 0.0001111000000000 ] - [ -0.0001166200000000, 0.0002050400000000, 0.0003419800000000 ] - [ 0.0004012100000000, -0.0003745800000000, 0.0003690800000000 ] - [ 0.0000171400000000, 0.0001866400000000, -0.0000155500000000 ] - [ -0.0000075100000000, 0.0000466600000000, 0.0008158700000000 ] - [ 0.0003174600000000, -0.0001929800000000, -0.0009506300000000 ] - [ 0.0001873100000000, 0.0000751200000000, -0.0005912900000000 ] - [ -0.0000026400000000, -0.0000042500000000, 0.0008771200000000 ] - [ -0.0000502600000000, 0.0004020600000000, 0.0001192800000000 ] - [ -0.0000965500000000, 0.0002019000000000, 0.0008451300000000 ] - [ -0.0002264800000000, -0.0006790800000000, -0.0033507100000000 ] - [ 0.0002788100000000, 0.0001748100000000, -0.0001424900000000 ] - [ 0.0000751900000000, -0.0000047200000000, 0.0003178300000000 ] - [ 0.0000011500000000, -0.0000120200000000, 0.0000465500000000 ] - [ -0.0001538900000000, 0.0000120000000000, 0.0002138200000000 ] - [ 0.0000688500000000, 0.0001410700000000, 0.0002255600000000 ] - [ -0.0001229700000000, -0.0000366500000000, -0.0000586700000000 ] - [ -0.0002184900000000, 0.0000632200000000, 0.0001259200000000 ] - [ 0.0004486400000000, -0.0005164400000000, -0.0028480200000000 ] - [ -0.0000324800000000, -0.0001571100000000, 0.0001565900000000 ] - [ 0.0000344900000000, -0.0001616300000000, 0.0004370400000000 ] - [ -0.0000682400000000, -0.0000401800000000, 0.0001744600000000 ] - [ 0.0000806600000000, 0.0002101600000000, 0.0001327600000000 ] - [ -0.0001017300000000, -0.0002320900000000, -0.0004695400000000 ] - [ 0.0000695700000000, -0.0001483600000000, 0.0002124700000000 ] - [ -0.0001226500000000, 0.0002659800000000, 0.0001154700000000 ] - [ -0.0002855700000000, 0.0000536400000000, -0.0005093200000000 ] - [ -0.0005156700000000, 0.0005751500000000, 0.0007372200000000 ] - [ -0.0001132200000000, 0.0000411600000000, -0.0000438400000000 ] - [ 0.0000876000000000, -0.0001840800000000, 0.0008814400000000 ] - [ -0.0003409300000000, 0.0002848800000000, 0.0003938400000000 ] - [ 0.0001377200000000, -0.0000157700000000, 0.0007375600000000 ] - [ 0.0002902600000000, -0.0001217000000000, 0.0001076300000000 ] - [ 0.0000089900000000, -0.0000252900000000, 0.0001640300000000 ] - [ 0.0000874000000000, -0.0000978500000000, 0.0004293200000000 ] - [ 0.0000030800000000, 0.0000026100000000, 0.0006643100000000 ] - [ -0.0000565200000000, -0.0000072600000000, 0.0002063000000000 ] - [ -0.0005548600000000, -0.0006101400000000, 0.0007613200000000 ] - [ 0.0002159800000000, 0.0000065900000000, 0.0003397100000000 ] - [ -0.0007469600000000, -0.0002772300000000, -0.0028205100000000 ] - [ 0.0002904900000000, -0.0001864800000000, 0.0001025100000000 ] - [ -0.0000975200000000, -0.0001754100000000, 0.0003463000000000 ] - [ 0.0000061800000000, 0.0000191900000000, 0.0001682100000000 ] - [ -0.0006875300000000, 0.0000010300000000, -0.0028870000000000 ] - [ 0.0002127800000000, 0.0002176900000000, -0.0005611500000000 ] - [ 0.0004436100000000, 0.0000654500000000, -0.0013314700000000 ] - [ -0.0011723100000000, -0.0019681200000000, 0.0038682600000000 ] - [ 0.0000949500000000, 0.0001687300000000, -0.0004947000000000 ] - [ 0.0004263100000000, 0.0011369400000000, -0.0007573400000000 ] - [ 0.0000419200000000, -0.0000404200000000, 0.0003855300000000 ] - [ -0.0000224600000000, 0.0000033300000000, 0.0002225600000000 ] - [ -0.0038371700000000, -0.0017283300000000, -0.0008125800000000 ] - [ 0.0003124400000000, -0.0003275700000000, 0.0001405200000000 ] - [ 0.0002887400000000, -0.0042218200000000, -0.0008137700000000 ] - [ 0.0001727400000000, 0.0002958100000000, 0.0007572800000000 ] - [ 0.0003902700000000, -0.0000828700000000, 0.0001183400000000 ] - [ 0.0000377400000000, -0.0000846300000000, 0.0004409800000000 ] - [ -0.0000378100000000, -0.0000297000000000, 0.0008163600000000 ] - [ 0.0000222900000000, 0.0000119300000000, 0.0005266000000000 ] - [ -0.0001703800000000, -0.0000176600000000, 0.0002207900000000 ] - [ -0.0002695100000000, 0.0004318900000000, -0.0008704000000000 ] - [ -0.0000979600000000, 0.0001127900000000, 0.0007399000000000 ] - [ -0.0014544800000000, -0.0023394400000000, 0.0024545600000000 ] - [ 0.0000431000000000, 0.0001923000000000, -0.0016505500000000 ] - [ -0.0003450200000000, -0.0003246100000000, -0.0004778500000000 ] - [ -0.0002756500000000, -0.0000711300000000, 0.0000236300000000 ] - [ -0.0003804400000000, 0.0002201800000000, 0.0003187300000000 ] - [ -0.0000172600000000, -0.0000271800000000, 0.0004390100000000 ] - [ -0.0001564700000000, -0.0000267000000000, 0.0005178500000000 ] - [ -0.0001694600000000, -0.0000524700000000, -0.0005756200000000 ] - [ 0.0000133400000000, -0.0000023200000000, 0.0004654000000000 ] - [ -0.0035555700000000, -0.0058478500000000, -0.0084534700000000 ] - [ 0.0000524200000000, 0.0002476800000000, 0.0005188900000000 ] - [ 0.0001473500000000, -0.0002348600000000, 0.0000206300000000 ] - [ 0.0000167900000000, -0.0000268800000000, -0.0000361000000000 ] - [ 0.0003312200000000, 0.0007293600000000, 0.0010762900000000 ] - [ 0.0000602000000000, -0.0001601100000000, -0.0005776400000000 ] - [ 0.0000472100000000, 0.0000750000000000, 0.0001676100000000 ] - [ 0.0001062400000000, -0.0002100500000000, 0.0004973700000000 ] - [ -0.0000359900000000, -0.0000204900000000, -0.0000364400000000 ] - [ 0.0005903900000000, -0.0001198800000000, 0.0003339700000000 ] - [ -0.0000036700000000, 0.0000112700000000, 0.0004704200000000 ] - [ -0.0001637900000000, -0.0000788200000000, 0.0002550000000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001272400000000, 0.0001572600000000, 0.0002006100000000 ] - [ -0.0000418300000000, 0.0000815100000000, 0.0001960600000000 ] - [ -0.0003152200000000, 0.0001836600000000, 0.0002503900000000 ] - [ 0.0000178300000000, -0.0001150300000000, 0.0001107100000000 ] - [ -0.0353299900000000, -0.0014228500000000, 0.0040320200000000 ] - [ 0.0006981900000000, 0.0000155800000000, 0.0040987200000000 ] - [ 0.0002885200000000, -0.0002795400000000, -0.0000122900000000 ] - [ -0.0014299400000000, -0.0002174500000000, -0.0003670500000000 ] - [ 0.0000409500000000, -0.0004978000000000, -0.0004490200000000 ] - [ 0.0007328300000000, 0.0000401600000000, -0.0007805500000000 ] - [ 0.0000210100000000, 0.0001387700000000, 0.0001070000000000 ] - [ 0.0014973800000000, -0.0006640200000000, -0.0001281600000000 ] - [ -0.0000440600000000, -0.0000943600000000, -0.0001585400000000 ] - [ 0.0002892000000000, -0.0002489900000000, -0.0029935800000000 ] - [ 0.0002228300000000, 0.0012958600000000, -0.0001446900000000 ] - [ -0.0000700500000000, -0.0000988900000000, 0.0002270400000000 ] - [ 0.0000547200000000, 0.0000186800000000, 0.0001677700000000 ] - [ 0.0001315000000000, 0.0000634900000000, 0.0001374600000000 ] - [ 0.0000164500000000, 0.0001488900000000, 0.0000399600000000 ] - [ 0.0000172300000000, 0.0002158700000000, -0.0000308800000000 ] - [ -0.0012228300000000, 0.0014430500000000, -0.0022050000000000 ] - [ 0.0000739400000000, 0.0000832800000000, 0.0000683200000000 ] - [ -0.0000828000000000, -0.0002079100000000, 0.0001506800000000 ] - [ 0.0002071200000000, -0.0000702400000000, 0.0003947600000000 ] - [ 0.0001781300000000, 0.0000132200000000, 0.0003189200000000 ] - [ -0.0000736800000000, -0.0003006200000000, -0.0001873200000000 ] - [ 0.0000014900000000, -0.0000781100000000, -0.0002948400000000 ] - [ 0.0002574300000000, -0.0003422800000000, 0.0002890500000000 ] - [ 0.0001214100000000, 0.0002550300000000, 0.0002032700000000 ] - [ -0.0005820600000000, 0.0006545300000000, -0.0002712200000000 ] - [ 0.0010315700000000, 0.0001769900000000, 0.0006537000000000 ] - [ 0.0024907100000000, -0.0020483500000000, -0.0002294000000000 ] - [ 0.0001147700000000, -0.0003037800000000, 0.0002220900000000 ] - [ -0.0014889300000000, 0.0009859600000000, 0.0016565300000000 ] - [ 0.0043443500000000, -0.0035419000000000, -0.0004041000000000 ] - [ -0.0001215600000000, -0.0000874900000000, 0.0001394000000000 ] - [ 0.0000055700000000, -0.0003571100000000, 0.0003906400000000 ] - [ 0.0006113400000000, 0.0004248700000000, -0.0001428100000000 ] - [ 0.0001592900000000, 0.0000833600000000, -0.0005294200000000 ] - [ 0.0002742000000000, 0.0004437500000000, 0.0004476700000000 ] - [ 0.0002474000000000, -0.0000701000000000, -0.0002495100000000 ] - [ 0.0001712900000000, -0.0000874100000000, 0.0001658900000000 ] - [ -0.0000799200000000, -0.0000248500000000, -0.0004782000000000 ] - [ -0.0004924600000000, 0.0007342300000000, 0.0006019800000000 ] - [ -0.0000004900000000, -0.0001763500000000, 0.0000549400000000 ] - [ 0.0001761300000000, -0.0001962700000000, 0.0000114600000000 ] - [ -0.0002394800000000, 0.0003090300000000, -0.0004094000000000 ] - [ -0.0001445700000000, -0.0000648900000000, 0.0001135500000000 ] - [ -0.0001478800000000, 0.0001043700000000, 0.0000838200000000 ] - [ -0.0002110600000000, 0.0000646800000000, -0.0001235400000000 ] - [ 0.0007668500000000, -0.0002555100000000, 0.0008506600000000 ] - [ -0.0000896500000000, 0.0000812400000000, 0.0001779200000000 ] - [ -0.0001645900000000, 0.0000896600000000, 0.0001674800000000 ] - [ 0.0005032100000000, 0.0002932900000000, -0.0001401100000000 ] - [ -0.0001716600000000, -0.0001418500000000, 0.0003096600000000 ] - [ 0.0001395700000000, -0.0000889500000000, 0.0000677300000000 ] - [ 0.0001826900000000, -0.0005055200000000, -0.0000542800000000 ] - [ -0.0000064400000000, -0.0000764700000000, 0.0001750700000000 ] - [ -0.0000559300000000, -0.0001054600000000, 0.0002842100000000 ] - [ -0.0000582800000000, 0.0000898900000000, 0.0003346300000000 ] - [ 0.0004373400000000, -0.0000059200000000, -0.0003562500000000 ] - [ -0.0023446000000000, -0.0003176800000000, -0.0001309300000000 ] - [ 0.0009654200000000, 0.0000507200000000, -0.0004235400000000 ] - [ 0.0001981500000000, -0.0004523600000000, 0.0003119100000000 ] - [ -0.0001248400000000, 0.0000509400000000, 0.0000850000000000 ] - [ 0.0018965400000000, -0.0009417700000000, 0.0006587300000000 ] - [ -0.0000143000000000, 0.0000333800000000, -0.0004396500000000 ] - [ 0.0000902400000000, 0.0004254800000000, -0.0000733500000000 ] - [ 0.0000933700000000, -0.0000258500000000, -0.0003426000000000 ] - [ -0.0013309700000000, -0.0011977100000000, 0.0075948300000000 ] - [ -0.0013532900000000, -0.0027810000000000, -0.0033384000000000 ] - [ 0.0111413000000000, 0.0046289000000000, 0.0024338300000000 ] - [ 0.0080586300000000, 0.0115724500000000, -0.0039102200000000 ] - [ 0.0002934400000000, -0.0001641300000000, -0.0001150700000000 ] - [ -0.0003375700000000, 0.0011600700000000, 0.0001165100000000 ] - [ 0.0008827300000000, -0.0021490100000000, -0.0005285000000000 ] - [ -0.0001207800000000, 0.0002817200000000, -0.0001700200000000 ] - [ 0.0000669200000000, 0.0002733900000000, 0.0007883800000000 ] - [ -0.0006041400000000, -0.0002957200000000, 0.0003608300000000 ] - [ 0.0001671500000000, -0.0000290500000000, 0.0001698900000000 ] - [ -0.0001955900000000, 0.0005701300000000, -0.0004429000000000 ] - [ 0.0023024700000000, -0.0004203300000000, -0.0008591700000000 ] - [ -0.0001096200000000, -0.0000168600000000, 0.0003078400000000 ] - [ -0.0000464600000000, -0.0000255800000000, 0.0001680000000000 ] - [ 0.0000037800000000, -0.0000284400000000, -0.0001115200000000 ] - [ -0.0000444800000000, 0.0000157500000000, -0.0000882300000000 ] - [ 0.0000531400000000, 0.0000144600000000, 0.0000473000000000 ] - [ 0.0000756900000000, -0.0000870400000000, 0.0001668400000000 ] - [ 0.0002447500000000, 0.0000970700000000, 0.0002799900000000 ] - [ 0.0003133300000000, -0.0000575100000000, 0.0004408700000000 ] - [ 0.0000468600000000, -0.0000685300000000, 0.0006669800000000 ] - [ -0.0002718000000000, 0.0004117800000000, -0.0004979200000000 ] - [ 0.0000273200000000, 0.0000272900000000, 0.0000002100000000 ] - [ -0.0004941700000000, 0.0000067700000000, -0.0001782900000000 ] - [ -0.0000492600000000, 0.0001047700000000, -0.0001767500000000 ] - [ 0.0000240500000000, 0.0000036300000000, -0.0004143900000000 ] - [ -0.0012657000000000, -0.0022361000000000, 0.0030333000000000 ] - [ -0.0001102100000000, 0.0000615400000000, 0.0003268300000000 ] - [ 0.0001820200000000, 0.0001935100000000, -0.0008873500000000 ] - [ -0.0009155900000000, -0.0000267700000000, -0.0005250200000000 ] - [ 0.0004866000000000, -0.0008780300000000, -0.0002482100000000 ] - [ -0.0000481500000000, -0.0001176500000000, -0.0003431800000000 ] - [ -0.0013638100000000, 0.0000947900000000, -0.0004924200000000 ] - [ 0.0004301800000000, 0.0006882300000000, -0.0005007000000000 ] - [ -0.0000267500000000, -0.0000095200000000, 0.0001287600000000 ] - [ 0.0068936900000000, -0.0009356100000000, 0.0016781800000000 ] - [ 0.0003070400000000, 0.0000100700000000, -0.0000543900000000 ] - [ 0.0023295100000000, 0.0003812100000000, -0.0004091700000000 ] - [ -0.0000580100000000, -0.0001585300000000, -0.0001835700000000 ] - [ 0.0002832100000000, 0.0002633600000000, -0.0005689000000000 ] - [ -0.0002301500000000, 0.0005385900000000, 0.0004494400000000 ] - [ 0.0001292000000000, -0.0001918700000000, -0.0001690400000000 ] - [ -0.0000794800000000, 0.0001496900000000, -0.0001068400000000 ] - [ 0.0001017200000000, -0.0005193000000000, -0.0000232100000000 ] - [ -0.0000905500000000, 0.0001675600000000, -0.0000868100000000 ] - [ -0.0000634400000000, 0.0000142800000000, 0.0006911500000000 ] - [ -0.0002973500000000, 0.0000021300000000, -0.0001860600000000 ] - [ 0.0000942100000000, 0.0001071500000000, 0.0001756900000000 ] - [ -0.0041552400000000, -0.0019445200000000, -0.0002308200000000 ] - [ -0.0008472900000000, 0.0005066800000000, -0.0006243800000000 ] - [ -0.0006575900000000, 0.0004676700000000, -0.0001338400000000 ] - [ 0.0000231100000000, 0.0011488500000000, -0.0002125100000000 ] - [ 0.0003136100000000, 0.0000116200000000, -0.0001947900000000 ] - [ -0.0002091600000000, -0.0003754100000000, 0.0000550200000000 ] - [ 0.0000057200000000, 0.0000185300000000, -0.0002965000000000 ] - [ 0.0002520800000000, -0.0001673300000000, -0.0003428600000000 ] - [ -0.0009297200000000, -0.0000352300000000, 0.0002119900000000 ] - [ 0.0000080000000000, -0.0000211600000000, -0.0003469000000000 ] - [ -0.0002544400000000, 0.0005087700000000, 0.0003305300000000 ] - [ -0.0001860500000000, 0.0001476500000000, 0.0002634900000000 ] - [ -0.0027965300000000, -0.0003281400000000, -0.0001896700000000 ] - [ -0.0001296800000000, 0.0000769700000000, -0.0001002000000000 ] - [ -0.0001039400000000, -0.0001460900000000, 0.0002817100000000 ] - [ 0.0015882800000000, -0.0001653300000000, -0.0011083800000000 ] - [ 0.0000742000000000, 0.0001433800000000, -0.0003621900000000 ] - [ -0.0004294000000000, 0.0000648500000000, 0.0009294600000000 ] - [ 0.0000283800000000, 0.0000379900000000, -0.0001424300000000 ] - [ -0.0001138100000000, -0.0002408800000000, 0.0003550000000000 ] - [ -0.0001155100000000, -0.0000394800000000, -0.0002327700000000 ] - [ -0.0004799300000000, 0.0012776700000000, 0.0000751400000000 ] - [ -0.0013903200000000, 0.0004075800000000, 0.0009521200000000 ] - [ -0.0009258700000000, 0.0003700100000000, -0.0003495300000000 ] - [ 0.0033744000000000, -0.0013181400000000, -0.0017348800000000 ] - [ 0.0009120500000000, 0.0008901000000000, -0.0014143400000000 ] - [ 0.0008019400000000, 0.0008176900000000, 0.0014034500000000 ] - [ 0.0002382300000000, -0.0001188700000000, 0.0002656000000000 ] - [ -0.0000797900000000, -0.0000995500000000, 0.0001091100000000 ] - [ 0.0008747700000000, 0.0009721300000000, -0.0001195200000000 ] - [ -0.0027339700000000, -0.0024519900000000, 0.0001582500000000 ] - [ -0.0000212400000000, -0.0000676600000000, -0.0002925200000000 ] - [ 0.0000964000000000, -0.0000597200000000, 0.0001332000000000 ] - [ 0.0001050900000000, 0.0001802700000000, -0.0001857300000000 ] - [ 0.0000099600000000, -0.0000199300000000, 0.0007725000000000 ] - [ 0.0004048100000000, -0.0006981700000000, -0.0005202700000000 ] - [ 0.0003787600000000, 0.0007519000000000, -0.0005210700000000 ] - [ 0.0001837300000000, -0.0044111400000000, -0.0002689300000000 ] - [ -0.0001286700000000, -0.0004273200000000, -0.0004104200000000 ] - [ -0.0008283900000000, 0.0000285600000000, -0.0004986000000000 ] - [ 0.0001038200000000, -0.0002648800000000, -0.0002972000000000 ] - [ 0.0004170900000000, -0.0007629200000000, -0.0004984400000000 ] - [ 0.0003023700000000, -0.0002297200000000, 0.0001113100000000 ] - [ 0.0001830500000000, 0.0000265100000000, 0.0001342300000000 ] - [ -0.0008802100000000, 0.0005207700000000, 0.0000165500000000 ] - [ -0.0018858400000000, -0.0007760600000000, -0.0018686400000000 ] - [ 0.0001162900000000, 0.0002618600000000, 0.0009375600000000 ] - [ 0.0033625100000000, 0.0032225900000000, -0.0014443900000000 ] - [ -0.0000536500000000, 0.0002364200000000, 0.0002654300000000 ] - [ 0.0002280400000000, -0.0004608400000000, 0.0001658000000000 ] - [ -0.0001916500000000, -0.0003519100000000, 0.0004856300000000 ] - [ 0.0000236800000000, 0.0000587900000000, -0.0002109800000000 ] - [ -0.0000706300000000, -0.0001963900000000, 0.0002625700000000 ] - [ -0.0000026300000000, 0.0000268800000000, -0.0000409700000000 ] - [ 0.0000095100000000, -0.0001057400000000, 0.0000851200000000 ] - [ 0.0022611200000000, 0.0022583400000000, -0.0018733800000000 ] - [ -0.0012033800000000, 0.0003850800000000, 0.0001033000000000 ] - [ 0.0000052100000000, -0.0000006500000000, 0.0000003200000000 ] - [ 0.0000261800000000, -0.0004598900000000, 0.0000959900000000 ] - [ -0.0000159900000000, -0.0000115000000000, 0.0000063600000000 ] - [ 0.0002715500000000, -0.0002306700000000, 0.0002569800000000 ] - [ 0.0000189500000000, -0.0000017800000000, 0.0000814200000000 ] - [ -0.0002184700000000, -0.0002403700000000, 0.0003611500000000 ] - [ -0.0000429700000000, -0.0000417400000000, -0.0001518100000000 ] - [ 0.0000119200000000, 0.0000108000000000, -0.0000042200000000 ] - [ -0.0000067300000000, -0.0003015800000000, -0.0011093700000000 ] - [ 0.0057938800000000, -0.0032085300000000, -0.0025595700000000 ] - [ -0.0000836500000000, 0.0002817800000000, -0.0003773500000000 ] - [ -0.0002116700000000, 0.0000647400000000, 0.0000433500000000 ] - [ -0.0008840700000000, 0.0002761400000000, 0.0000821300000000 ] - [ 0.0002815700000000, 0.0001389400000000, 0.0006619400000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000740400000000, 0.0002608800000000, 0.0002257200000000 ] - [ -0.0000729400000000, 0.0001483600000000, 0.0001441100000000 ] - [ 0.0002655600000000, -0.0000823700000000, 0.0000208400000000 ] - [ -0.0000002500000000, -0.0001606500000000, 0.0001473300000000 ] - [ 0.0355358000000000, 0.0017444000000000, -0.0045220900000000 ] - [ -0.0009109300000000, -0.0003997200000000, -0.0041329200000000 ] - [ 0.0001642300000000, 0.0002876700000000, -0.0000000900000000 ] - [ 0.0011761100000000, -0.0002188000000000, -0.0000721000000000 ] - [ -0.0001663000000000, 0.0007419100000000, 0.0005577600000000 ] - [ -0.0009662700000000, 0.0003473000000000, 0.0007619600000000 ] - [ -0.0000064900000000, 0.0001512400000000, 0.0001454100000000 ] - [ -0.0016341900000000, 0.0002262600000000, -0.0001200200000000 ] - [ -0.0001550300000000, -0.0003129600000000, -0.0004325500000000 ] - [ -0.0002491200000000, 0.0000933000000000, 0.0035065400000000 ] - [ 0.0002071600000000, -0.0014040500000000, -0.0001116300000000 ] - [ -0.0000505500000000, -0.0001100900000000, 0.0001178800000000 ] - [ 0.0002019100000000, -0.0000031700000000, 0.0001725000000000 ] - [ 0.0001125900000000, 0.0000937600000000, 0.0001145400000000 ] - [ -0.0000471600000000, 0.0001422000000000, 0.0000843700000000 ] - [ -0.0002117100000000, 0.0002140900000000, -0.0005614400000000 ] - [ 0.0016603800000000, -0.0014562400000000, 0.0021965800000000 ] - [ 0.0001931900000000, 0.0000357900000000, 0.0000564100000000 ] - [ 0.0001377000000000, -0.0002238900000000, 0.0002719800000000 ] - [ -0.0000950000000000, 0.0000772000000000, -0.0001225000000000 ] - [ 0.0001005600000000, -0.0000056300000000, 0.0002701700000000 ] - [ -0.0001784300000000, -0.0000747100000000, -0.0004033000000000 ] - [ -0.0001131400000000, 0.0002878800000000, -0.0000413300000000 ] - [ -0.0004126500000000, 0.0002880400000000, 0.0002076300000000 ] - [ 0.0002135500000000, -0.0000003500000000, 0.0002226700000000 ] - [ 0.0006015900000000, -0.0004947900000000, 0.0007650600000000 ] - [ -0.0002836400000000, -0.0001902500000000, -0.0006154600000000 ] - [ -0.0019683100000000, 0.0020325300000000, -0.0002109400000000 ] - [ 0.0000170100000000, 0.0004007300000000, 0.0002700000000000 ] - [ 0.0016090500000000, -0.0010994300000000, -0.0011710600000000 ] - [ -0.0039468700000000, 0.0036906800000000, 0.0001494800000000 ] - [ -0.0001257400000000, -0.0000349600000000, 0.0001181300000000 ] - [ -0.0003881400000000, 0.0009987300000000, -0.0003500900000000 ] - [ -0.0007398500000000, 0.0000023900000000, -0.0001141000000000 ] - [ -0.0005371100000000, -0.0007356700000000, 0.0005646600000000 ] - [ -0.0004054700000000, -0.0006703000000000, -0.0003302300000000 ] - [ 0.0002222700000000, 0.0001153800000000, -0.0003409800000000 ] - [ 0.0000619000000000, -0.0000958300000000, 0.0000883300000000 ] - [ -0.0000341800000000, -0.0001705500000000, 0.0001346700000000 ] - [ 0.0002739700000000, -0.0003396400000000, -0.0006162500000000 ] - [ -0.0000321300000000, -0.0001230200000000, 0.0000593500000000 ] - [ 0.0001628900000000, -0.0000534500000000, 0.0004121800000000 ] - [ -0.0000487900000000, 0.0000566200000000, -0.0001800700000000 ] - [ -0.0000980600000000, -0.0001127200000000, 0.0000009600000000 ] - [ -0.0000829500000000, 0.0000697400000000, 0.0000381100000000 ] - [ 0.0004495500000000, -0.0000555200000000, -0.0002122800000000 ] - [ -0.0009272300000000, 0.0003142300000000, -0.0003549500000000 ] - [ -0.0002961800000000, 0.0000858200000000, 0.0002454400000000 ] - [ -0.0001106400000000, 0.0000207500000000, 0.0000869700000000 ] - [ -0.0008103900000000, 0.0000277400000000, -0.0001158400000000 ] - [ 0.0001087400000000, 0.0000323600000000, -0.0000438100000000 ] - [ 0.0001268800000000, -0.0000239300000000, 0.0000545000000000 ] - [ -0.0004066900000000, 0.0001213500000000, 0.0000451200000000 ] - [ -0.0003947500000000, -0.0000916100000000, 0.0002484100000000 ] - [ -0.0000834700000000, -0.0001358200000000, 0.0003034800000000 ] - [ -0.0000741200000000, 0.0001550700000000, 0.0002545100000000 ] - [ 0.0000229900000000, -0.0000599600000000, -0.0002340200000000 ] - [ 0.0020345700000000, -0.0000424500000000, -0.0001178900000000 ] - [ -0.0006900100000000, -0.0000401400000000, 0.0005358300000000 ] - [ -0.0001469200000000, 0.0003619500000000, 0.0002761500000000 ] - [ 0.0000566400000000, 0.0000617800000000, 0.0001519700000000 ] - [ -0.0018889100000000, 0.0009425700000000, -0.0005017000000000 ] - [ 0.0000143900000000, -0.0000344700000000, -0.0005484100000000 ] - [ 0.0001916700000000, 0.0000634300000000, -0.0000305400000000 ] - [ -0.0000937300000000, 0.0000262800000000, -0.0006462400000000 ] - [ 0.0013110200000000, 0.0012067600000000, -0.0067245400000000 ] - [ 0.0012995900000000, 0.0028121500000000, 0.0026659000000000 ] - [ -0.0108974500000000, -0.0041215900000000, -0.0029139800000000 ] - [ -0.0085914900000000, -0.0115976900000000, 0.0034228100000000 ] - [ -0.0008613000000000, 0.0001630300000000, 0.0000106600000000 ] - [ 0.0003271400000000, -0.0011588200000000, 0.0000472300000000 ] - [ -0.0006528400000000, 0.0017446800000000, 0.0000583300000000 ] - [ 0.0000191400000000, -0.0002823600000000, 0.0007592700000000 ] - [ -0.0000135800000000, -0.0001773400000000, -0.0001935600000000 ] - [ 0.0008892600000000, -0.0001949000000000, -0.0004627200000000 ] - [ -0.0000357700000000, 0.0000265900000000, 0.0000672000000000 ] - [ 0.0002065100000000, -0.0005849200000000, -0.0001491700000000 ] - [ -0.0023200400000000, 0.0004325500000000, 0.0002714400000000 ] - [ 0.0001103900000000, 0.0000183100000000, 0.0003934400000000 ] - [ -0.0000209800000000, -0.0000911200000000, 0.0000709900000000 ] - [ -0.0000052500000000, 0.0000247000000000, -0.0001284000000000 ] - [ 0.0000420200000000, -0.0000189700000000, -0.0001521800000000 ] - [ -0.0000508600000000, -0.0000106500000000, 0.0002815900000000 ] - [ 0.0000388200000000, -0.0001071200000000, 0.0000860800000000 ] - [ 0.0001798700000000, 0.0000782000000000, 0.0002715800000000 ] - [ 0.0003098100000000, 0.0000530200000000, -0.0000207300000000 ] - [ -0.0000467900000000, 0.0000686900000000, 0.0003959800000000 ] - [ 0.0004677500000000, -0.0001388200000000, -0.0001507200000000 ] - [ 0.0001305000000000, 0.0002456100000000, -0.0000958500000000 ] - [ 0.0001880400000000, 0.0000013100000000, 0.0000841000000000 ] - [ 0.0003193000000000, 0.0000494900000000, -0.0003235900000000 ] - [ -0.0000255500000000, -0.0000064300000000, -0.0003981900000000 ] - [ 0.0013580000000000, 0.0022450200000000, -0.0025993900000000 ] - [ -0.0003906800000000, 0.0003258200000000, 0.0000446600000000 ] - [ 0.0009346400000000, -0.0001866500000000, 0.0016942600000000 ] - [ -0.0007430500000000, -0.0000259500000000, -0.0004406900000000 ] - [ -0.0002830600000000, 0.0006007100000000, -0.0004027800000000 ] - [ -0.0000436800000000, -0.0000422900000000, 0.0001484700000000 ] - [ 0.0010222100000000, -0.0000597100000000, -0.0001566100000000 ] - [ 0.0004377400000000, 0.0007179900000000, -0.0004659800000000 ] - [ -0.0001982000000000, 0.0000111400000000, 0.0001240500000000 ] - [ -0.0072654700000000, 0.0011323400000000, -0.0019596700000000 ] - [ 0.0002560800000000, 0.0002313400000000, 0.0004273400000000 ] - [ -0.0024531200000000, -0.0001746400000000, 0.0004254500000000 ] - [ -0.0000750000000000, -0.0000719200000000, -0.0001828800000000 ] - [ -0.0002858200000000, 0.0000467000000000, 0.0000679200000000 ] - [ 0.0001854000000000, -0.0004691000000000, -0.0000051900000000 ] - [ 0.0000973900000000, -0.0001929200000000, -0.0001636600000000 ] - [ -0.0000141100000000, -0.0000022400000000, -0.0000869600000000 ] - [ -0.0000982200000000, 0.0005232300000000, -0.0000080400000000 ] - [ 0.0000197600000000, 0.0004386700000000, 0.0004585800000000 ] - [ 0.0000604800000000, -0.0000184300000000, 0.0009316400000000 ] - [ -0.0001494000000000, 0.0000018000000000, -0.0001465100000000 ] - [ 0.0000180000000000, 0.0000868900000000, 0.0000760900000000 ] - [ 0.0039384200000000, 0.0019272500000000, -0.0000992000000000 ] - [ 0.0009842900000000, -0.0008128400000000, -0.0000210000000000 ] - [ 0.0001370600000000, -0.0004612600000000, -0.0001117300000000 ] - [ 0.0002271700000000, -0.0006913100000000, -0.0000338600000000 ] - [ -0.0005765400000000, 0.0001535400000000, -0.0003094100000000 ] - [ -0.0001035900000000, -0.0001674600000000, 0.0003674200000000 ] - [ 0.0001252200000000, -0.0000124100000000, -0.0002183400000000 ] - [ -0.0000922100000000, -0.0000946400000000, 0.0002471100000000 ] - [ 0.0008516700000000, -0.0001120500000000, 0.0001020400000000 ] - [ -0.0003378200000000, -0.0000126200000000, -0.0003007200000000 ] - [ -0.0000617400000000, 0.0000294000000000, 0.0000911800000000 ] - [ -0.0001830800000000, 0.0001291600000000, 0.0002889900000000 ] - [ 0.0030422600000000, -0.0001722400000000, -0.0000611800000000 ] - [ 0.0004037800000000, -0.0002214900000000, -0.0004018800000000 ] - [ -0.0002465000000000, -0.0001252800000000, 0.0002678800000000 ] - [ -0.0021267900000000, 0.0011142200000000, 0.0019192800000000 ] - [ -0.0002046700000000, 0.0000964600000000, -0.0000014500000000 ] - [ 0.0004293400000000, -0.0000666900000000, 0.0001305900000000 ] - [ 0.0002448200000000, -0.0000307200000000, -0.0002202800000000 ] - [ 0.0000286800000000, 0.0003975700000000, -0.0000431900000000 ] - [ -0.0001487600000000, -0.0001176000000000, -0.0002673300000000 ] - [ 0.0005767200000000, -0.0014644800000000, -0.0004099700000000 ] - [ 0.0015681400000000, -0.0004079500000000, -0.0006434100000000 ] - [ 0.0009286800000000, -0.0003691300000000, 0.0003223300000000 ] - [ -0.0033338800000000, 0.0012383100000000, 0.0009292200000000 ] - [ -0.0014650600000000, -0.0018475700000000, 0.0022188200000000 ] - [ -0.0005359700000000, -0.0008161100000000, -0.0013855800000000 ] - [ 0.0001860500000000, -0.0000624700000000, 0.0002869500000000 ] - [ 0.0000073000000000, -0.0005191000000000, 0.0002632500000000 ] - [ -0.0009910900000000, -0.0011932300000000, 0.0001211600000000 ] - [ 0.0028533600000000, 0.0026221100000000, -0.0004862600000000 ] - [ -0.0000387600000000, -0.0000363300000000, -0.0002221200000000 ] - [ 0.0000782700000000, 0.0000522400000000, -0.0003278100000000 ] - [ 0.0001192100000000, 0.0002083000000000, -0.0001484000000000 ] - [ -0.0000117900000000, 0.0000154000000000, 0.0008495000000000 ] - [ 0.0004592900000000, -0.0007151200000000, -0.0004458100000000 ] - [ 0.0004052700000000, 0.0007024600000000, -0.0004454500000000 ] - [ 0.0000826800000000, 0.0039860600000000, 0.0000249400000000 ] - [ 0.0002699200000000, 0.0007380800000000, -0.0002398600000000 ] - [ -0.0008273700000000, 0.0000132300000000, -0.0004676600000000 ] - [ -0.0001072500000000, -0.0000428600000000, -0.0002031700000000 ] - [ 0.0003671200000000, -0.0006999100000000, -0.0004671900000000 ] - [ -0.0003860800000000, 0.0000945600000000, 0.0002064900000000 ] - [ 0.0004026800000000, -0.0002663800000000, 0.0002380300000000 ] - [ 0.0007980000000000, -0.0003892400000000, 0.0003007600000000 ] - [ 0.0018381100000000, 0.0006878400000000, 0.0023119000000000 ] - [ -0.0001100100000000, -0.0002765300000000, -0.0010255900000000 ] - [ -0.0036019200000000, -0.0029647300000000, 0.0011793100000000 ] - [ -0.0000067200000000, 0.0002188100000000, 0.0002862000000000 ] - [ -0.0000687200000000, 0.0004572400000000, 0.0001511600000000 ] - [ -0.0003084800000000, -0.0000207800000000, -0.0001139100000000 ] - [ -0.0000837100000000, 0.0000574700000000, -0.0003027100000000 ] - [ 0.0000110100000000, -0.0002426900000000, 0.0002868500000000 ] - [ 0.0000456500000000, -0.0001134500000000, -0.0000083800000000 ] - [ -0.0001264900000000, -0.0000968900000000, 0.0001177100000000 ] - [ -0.0023026800000000, -0.0022569800000000, 0.0020130300000000 ] - [ 0.0007465400000000, -0.0003764700000000, 0.0002315600000000 ] - [ 0.0000221300000000, -0.0000480400000000, 0.0000253300000000 ] - [ -0.0000305100000000, 0.0004533900000000, 0.0000592600000000 ] - [ -0.0000398100000000, 0.0000107500000000, 0.0000191400000000 ] - [ -0.0000408500000000, 0.0006322400000000, 0.0000779300000000 ] - [ 0.0000242400000000, 0.0000758300000000, -0.0001362000000000 ] - [ 0.0002375800000000, 0.0002702500000000, -0.0010600100000000 ] - [ -0.0000535800000000, 0.0000356200000000, 0.0001027900000000 ] - [ 0.0000147800000000, 0.0000351100000000, 0.0000275600000000 ] - [ -0.0000100700000000, 0.0003099900000000, 0.0004059300000000 ] - [ -0.0055850400000000, 0.0029146900000000, 0.0029825800000000 ] - [ 0.0000978900000000, -0.0002916100000000, -0.0003287800000000 ] - [ 0.0004526000000000, -0.0000615500000000, 0.0001586700000000 ] - [ 0.0008707300000000, -0.0002853800000000, 0.0000753300000000 ] - [ -0.0004006200000000, 0.0000706000000000, -0.0004563200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000332900000000, 0.0001970500000000, 0.0004226600000000 ] - [ -0.0000616200000000, 0.0001067300000000, 0.0005922100000000 ] - [ -0.0001469200000000, 0.0002544800000000, 0.0012678700000000 ] - [ -0.0000034400000000, -0.0001715700000000, 0.0004846700000000 ] - [ 0.0041573700000000, -0.0072007700000000, -0.0315657900000000 ] - [ 0.0039578000000000, 0.0000970200000000, 0.0028629600000000 ] - [ 0.0001699600000000, 0.0005678900000000, -0.0003086500000000 ] - [ -0.0002806600000000, -0.0003167100000000, -0.0020943000000000 ] - [ -0.0006056000000000, 0.0010489300000000, 0.0003155800000000 ] - [ -0.0008996100000000, -0.0000506700000000, -0.0002731200000000 ] - [ -0.0000117100000000, 0.0001716800000000, 0.0004931400000000 ] - [ -0.0000405600000000, -0.0001727100000000, -0.0007210000000000 ] - [ 0.0000283600000000, -0.0000834800000000, -0.0001224500000000 ] - [ -0.0032704400000000, -0.0001299900000000, 0.0031174000000000 ] - [ 0.0001698500000000, -0.0000512300000000, -0.0007210000000000 ] - [ -0.0000630400000000, -0.0001220800000000, 0.0006216200000000 ] - [ 0.0001372500000000, -0.0000064500000000, 0.0006216200000000 ] - [ 0.0001395500000000, 0.0000841100000000, 0.0004736400000000 ] - [ -0.0000565600000000, 0.0001267700000000, 0.0004307300000000 ] - [ 0.0001799400000000, 0.0001787700000000, -0.0000520600000000 ] - [ -0.0020629200000000, -0.0033790500000000, 0.0028629600000000 ] - [ 0.0000550400000000, 0.0000239300000000, 0.0005249100000000 ] - [ 0.0000712900000000, 0.0000284100000000, 0.0006309800000000 ] - [ 0.0003837600000000, -0.0000567000000000, 0.0006818000000000 ] - [ 0.0001435700000000, 0.0000069700000000, 0.0006390800000000 ] - [ 0.0000092000000000, -0.0001664600000000, -0.0001246300000000 ] - [ -0.0002957700000000, 0.0005122800000000, 0.0003312600000000 ] - [ 0.0003171900000000, -0.0003408900000000, 0.0000754900000000 ] - [ 0.0001567300000000, 0.0001128700000000, 0.0004287200000000 ] - [ -0.0004931900000000, -0.0003345800000000, 0.0001149300000000 ] - [ 0.0005278400000000, 0.0000540200000000, -0.0003274600000000 ] - [ 0.0004146100000000, 0.0000847000000000, -0.0020943000000000 ] - [ 0.0001366300000000, -0.0004451400000000, 0.0000754900000000 ] - [ 0.0017478000000000, 0.0027672900000000, 0.0031174000000000 ] - [ -0.0001862700000000, 0.0001972500000000, -0.0026710300000000 ] - [ -0.0001426100000000, -0.0000788000000000, 0.0004736400000000 ] - [ 0.0002609900000000, -0.0004520600000000, -0.0000836500000000 ] - [ -0.0000352400000000, 0.0001737700000000, -0.0007082800000000 ] - [ -0.0003107000000000, -0.0004301100000000, -0.0003274600000000 ] - [ -0.0000263900000000, -0.0000977100000000, -0.0001134800000000 ] - [ 0.0001395600000000, -0.0000912000000000, -0.0001246300000000 ] - [ 0.0001503100000000, -0.0000828100000000, 0.0004846700000000 ] - [ -0.0005021100000000, -0.0003738500000000, 0.0006223200000000 ] - [ 0.0004936900000000, 0.0007537500000000, -0.0002731200000000 ] - [ -0.0000442800000000, -0.0001255900000000, 0.0004138100000000 ] - [ -0.0000602500000000, -0.0000475300000000, 0.0006309800000000 ] - [ -0.0002447900000000, -0.0000664500000000, -0.0000520600000000 ] - [ -0.0000482500000000, -0.0000357000000000, 0.0005249100000000 ] - [ -0.0000815100000000, 0.0001123700000000, 0.0004307300000000 ] - [ 0.0005748200000000, 0.0002479200000000, 0.0006223200000000 ] - [ 0.0005363500000000, 0.0002598300000000, 0.0001149300000000 ] - [ -0.0001873000000000, 0.0000697000000000, 0.0004226600000000 ] - [ -0.0001428200000000, 0.0000959800000000, 0.0004931400000000 ] - [ -0.0001328700000000, 0.0001174000000000, -0.0007082800000000 ] - [ -0.0001427700000000, -0.0003607000000000, 0.0006818000000000 ] - [ 0.0001309000000000, -0.0000244500000000, 0.0004138100000000 ] - [ -0.0005767900000000, 0.0001367500000000, -0.0003086500000000 ] - [ -0.0001761100000000, -0.0000793000000000, 0.0004287200000000 ] - [ -0.0000778200000000, -0.0001208500000000, 0.0006390800000000 ] - [ -0.0000266600000000, 0.0000461800000000, 0.0007075200000000 ] - [ 0.0000581200000000, -0.0000663000000000, -0.0001224500000000 ] - [ -0.0000776900000000, 0.0002599300000000, -0.0026710300000000 ] - [ 0.0000978200000000, -0.0000260000000000, -0.0001134800000000 ] - [ 0.0000198800000000, -0.0000344300000000, 0.0011381300000000 ] - [ -0.0000445700000000, 0.0000772000000000, 0.0014268600000000 ] - [ 0.0006301600000000, -0.0002595000000000, -0.0012880200000000 ] - [ -0.0000172600000000, -0.0000568000000000, 0.0003555400000000 ] - [ 0.0003132500000000, 0.0006869700000000, 0.0007668000000000 ] - [ 0.0000578200000000, -0.0000134500000000, 0.0003555400000000 ] - [ 0.0055116600000000, -0.0095464700000000, 0.0040015800000000 ] - [ -0.0063177100000000, 0.0109425900000000, 0.0050468600000000 ] - [ 0.0003230800000000, 0.0007088200000000, -0.0041752900000000 ] - [ -0.0007754000000000, 0.0000746200000000, -0.0041752900000000 ] - [ -0.0007515600000000, 0.0000722000000000, 0.0007668000000000 ] - [ -0.0000903500000000, -0.0006754800000000, -0.0012880200000000 ] - [ 0.0001251200000000, -0.0002167100000000, -0.0021385000000000 ] - [ -0.0007708100000000, -0.0005706000000000, 0.0013558500000000 ] - [ 0.0008795600000000, 0.0003822400000000, 0.0013558500000000 ] - [ 0.0006220000000000, -0.0010773300000000, 0.0017042100000000 ] - [ 0.0000695200000000, -0.0000121800000000, 0.0011086100000000 ] - [ 0.0005637600000000, 0.0010150300000000, -0.0003026200000000 ] - [ -0.0011609200000000, 0.0000192800000000, -0.0003026200000000 ] - [ -0.0000517300000000, 0.0000895900000000, 0.0018741500000000 ] - [ -0.0000242100000000, -0.0000663000000000, 0.0011086100000000 ] - [ 0.0000008600000000, -0.0000186000000000, -0.0003730800000000 ] - [ 0.0000156800000000, -0.0000100400000000, -0.0003730800000000 ] - [ -0.0000435600000000, 0.0000754500000000, -0.0003722200000000 ] - [ 0.0000215300000000, -0.0000372900000000, -0.0003969900000000 ] - [ 0.0002804000000000, 0.0002115000000000, -0.0001811700000000 ] - [ 0.0005729300000000, 0.0000977800000000, 0.0000533000000000 ] - [ -0.0001093200000000, -0.0002148700000000, 0.0004163100000000 ] - [ -0.0002227100000000, 0.0000743600000000, -0.0000087500000000 ] - [ 0.0000540400000000, 0.0000484300000000, -0.0001711100000000 ] - [ -0.0000689600000000, -0.0000225900000000, -0.0001711100000000 ] - [ 0.0004157200000000, 0.0001150200000000, -0.0005381400000000 ] - [ 0.0000069300000000, -0.0000120000000000, -0.0013843500000000 ] - [ 0.0008957900000000, 0.0001794200000000, 0.0026679500000000 ] - [ 0.0000138700000000, 0.0002842100000000, -0.0001373400000000 ] - [ -0.0019224200000000, 0.0010181100000000, -0.0002434900000000 ] - [ -0.0009440700000000, -0.0000225000000000, -0.0008139700000000 ] - [ 0.0001556200000000, 0.0004864600000000, 0.0000235000000000 ] - [ -0.0001972300000000, -0.0001291000000000, -0.0008494200000000 ] - [ -0.0002403000000000, 0.0000924700000000, -0.0000178200000000 ] - [ 0.0004915200000000, 0.0008063400000000, -0.0008139700000000 ] - [ 0.0000457600000000, -0.0000439000000000, -0.0004391000000000 ] - [ 0.0009254100000000, 0.0002444000000000, 0.0029605300000000 ] - [ -0.0003702600000000, -0.0001226400000000, -0.0004481000000000 ] - [ 0.0006245700000000, -0.0010817900000000, 0.0067031200000000 ] - [ -0.0000971000000000, -0.0001942400000000, -0.0007623000000000 ] - [ -0.0001744100000000, 0.0006176700000000, -0.0010734100000000 ] - [ -0.0001052800000000, 0.0001823400000000, 0.0014913200000000 ] - [ 0.0002008700000000, -0.0003479100000000, -0.0006174500000000 ] - [ -0.0000377900000000, 0.0000654500000000, -0.0007189300000000 ] - [ 0.0000194900000000, 0.0001213900000000, 0.0009645900000000 ] - [ -0.0002530600000000, 0.0001300900000000, -0.0001373400000000 ] - [ -0.0000481900000000, 0.0000085100000000, 0.0002770900000000 ] - [ -0.0003390900000000, 0.0000018800000000, -0.0005274200000000 ] - [ 0.0000151400000000, -0.0000615800000000, -0.0004391000000000 ] - [ 0.0000566900000000, -0.0001951100000000, 0.0005945900000000 ] - [ -0.0004991000000000, 0.0001084600000000, 0.0000235000000000 ] - [ -0.0000030700000000, 0.0000255600000000, 0.0006423000000000 ] - [ -0.0000206000000000, 0.0000154400000000, 0.0006423000000000 ] - [ -0.0004477100000000, 0.0004598800000000, -0.0010734100000000 ] - [ -0.0003711400000000, -0.0004472800000000, 0.0000533000000000 ] - [ 0.0000376500000000, 0.0000097500000000, -0.0009035500000000 ] - [ -0.0001038700000000, 0.0001799000000000, -0.0004461200000000 ] - [ 0.0002525100000000, 0.0001010000000000, 0.0003701200000000 ] - [ 0.0000469600000000, 0.0002300600000000, -0.0000087500000000 ] - [ -0.0000584700000000, 0.0001012700000000, -0.0000623000000000 ] - [ -0.0002984100000000, 0.0001380800000000, -0.0000861800000000 ] - [ 0.0001533400000000, 0.0001704600000000, 0.0011053100000000 ] - [ 0.0004661400000000, -0.0001906500000000, -0.0005649300000000 ] - [ -0.0003233600000000, -0.0001370800000000, -0.0001811700000000 ] - [ -0.0025738700000000, 0.0044580800000000, -0.0026994100000000 ] - [ -0.0001533100000000, 0.0002655300000000, -0.0012479200000000 ] - [ 0.0002407400000000, -0.0000127700000000, 0.0004163100000000 ] - [ 0.0002167700000000, -0.0000130300000000, -0.0007623000000000 ] - [ -0.0000294000000000, -0.0003356300000000, 0.0003768000000000 ] - [ -0.0003074800000000, -0.0003025200000000, -0.0005381400000000 ] - [ -0.0000064400000000, 0.0000111500000000, 0.0008424500000000 ] - [ 0.0011105600000000, -0.0001298400000000, 0.0001022000000000 ] - [ -0.0001148700000000, 0.0000438200000000, 0.0009645900000000 ] - [ 0.0001868600000000, -0.0003236500000000, 0.0026578700000000 ] - [ 0.0000795000000000, 0.0021739200000000, -0.0002434900000000 ] - [ 0.0034749400000000, -0.0020088600000000, 0.0002667600000000 ] - [ 0.0002557200000000, -0.0001755100000000, -0.0000899900000000 ] - [ -0.0000772000000000, -0.0001733700000000, -0.0000853100000000 ] - [ 0.0000022500000000, -0.0040138100000000, 0.0002667600000000 ] - [ 0.0001406200000000, -0.0001466500000000, 0.0005945900000000 ] - [ -0.0000272700000000, -0.0000277300000000, -0.0009035500000000 ] - [ 0.0002104200000000, 0.0001062600000000, -0.0008494200000000 ] - [ 0.0001679200000000, 0.0002946000000000, -0.0005274200000000 ] - [ 0.0000167200000000, 0.0000459800000000, 0.0002770900000000 ] - [ 0.0004472100000000, -0.0007781600000000, -0.0008141500000000 ] - [ 0.0004174800000000, 0.0008124600000000, -0.0008102400000000 ] - [ -0.0002242900000000, -0.0000475600000000, 0.0011053100000000 ] - [ 0.0000400700000000, 0.0002543400000000, -0.0000178200000000 ] - [ -0.0009123500000000, 0.0000446800000000, -0.0008102400000000 ] - [ -0.0000679600000000, -0.0004990200000000, -0.0005649300000000 ] - [ 0.0004503000000000, -0.0007763800000000, -0.0008141500000000 ] - [ -0.0004428400000000, -0.0010266900000000, 0.0001022000000000 ] - [ 0.0001887500000000, -0.0000198300000000, -0.0000853100000000 ] - [ 0.0003053700000000, -0.0001423500000000, 0.0003768000000000 ] - [ -0.0006032800000000, -0.0006860700000000, 0.0026679500000000 ] - [ 0.0011102100000000, -0.0019229400000000, -0.0031918000000000 ] - [ -0.0006743600000000, -0.0006792300000000, 0.0029605300000000 ] - [ 0.0000296300000000, 0.0003274700000000, -0.0000861800000000 ] - [ -0.0002137200000000, -0.0001681800000000, 0.0003701200000000 ] - [ 0.0002913400000000, 0.0002593300000000, -0.0004481000000000 ] - [ -0.0000081100000000, 0.0000140400000000, -0.0011532000000000 ] - [ 0.0000241400000000, -0.0003092100000000, -0.0000899900000000 ] - [ 0.0000237500000000, -0.0000411300000000, -0.0003181600000000 ] - [ 0.0000404200000000, 0.0001135100000000, -0.0000043500000000 ] - [ -0.0018829200000000, 0.0032613100000000, 0.0011173500000000 ] - [ -0.0005238900000000, 0.0000174300000000, 0.0007024000000000 ] - [ 0.0000162100000000, -0.0000280800000000, -0.0003497900000000 ] - [ -0.0001430900000000, -0.0002816500000000, 0.0006108000000000 ] - [ -0.0000384800000000, -0.0000039600000000, -0.0003741900000000 ] - [ 0.0002468500000000, 0.0004624200000000, 0.0007024000000000 ] - [ 0.0001379300000000, 0.0001058300000000, -0.0003799700000000 ] - [ 0.0006861200000000, 0.0004845500000000, -0.0005735600000000 ] - [ -0.0001606200000000, -0.0000665400000000, -0.0003799700000000 ] - [ 0.0000226700000000, 0.0000313500000000, -0.0003741900000000 ] - [ -0.0007627000000000, -0.0003519200000000, -0.0005735600000000 ] - [ -0.0026651800000000, 0.0046162200000000, 0.0084244600000000 ] - [ 0.0001131000000000, -0.0001958900000000, -0.0003295800000000 ] - [ -0.0001185100000000, 0.0000217500000000, -0.0000043500000000 ] - [ 0.0003154600000000, -0.0000169100000000, 0.0006108000000000 ] - [ 0.0002766000000000, -0.0004790900000000, -0.0009801300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000157700000000, 0.0002233800000000, 0.0000049600000000 ] - [ -0.0000643500000000, 0.0001114600000000, -0.0002539500000000 ] - [ 0.0000851900000000, -0.0001475600000000, -0.0009815200000000 ] - [ 0.0000341100000000, -0.0001104200000000, -0.0002330700000000 ] - [ -0.0043930500000000, 0.0076089800000000, 0.0315786600000000 ] - [ -0.0042231400000000, -0.0004889800000000, -0.0028966100000000 ] - [ 0.0002779500000000, -0.0005676200000000, 0.0003006900000000 ] - [ 0.0000187300000000, -0.0001176600000000, 0.0016552500000000 ] - [ 0.0004695700000000, -0.0008133100000000, -0.0002020200000000 ] - [ 0.0006704200000000, 0.0004417800000000, 0.0002650400000000 ] - [ 0.0000403400000000, 0.0001175700000000, -0.0002447100000000 ] - [ -0.0000902700000000, -0.0002587400000000, 0.0004676200000000 ] - [ -0.0002149300000000, -0.0003359700000000, -0.0004656600000000 ] - [ 0.0032646100000000, -0.0000234700000000, -0.0025934000000000 ] - [ 0.0002692100000000, -0.0000511900000000, 0.0004676200000000 ] - [ -0.0000655200000000, -0.0000855500000000, -0.0002812800000000 ] - [ 0.0001068500000000, 0.0000139600000000, -0.0002812800000000 ] - [ 0.0000949600000000, 0.0000709200000000, -0.0002225700000000 ] - [ 0.0000244100000000, 0.0001684600000000, -0.0003224100000000 ] - [ -0.0003652700000000, 0.0002519500000000, -0.0005367300000000 ] - [ 0.0025350400000000, 0.0034128600000000, -0.0028966100000000 ] - [ 0.0002217800000000, 0.0000998800000000, -0.0004211100000000 ] - [ -0.0000213500000000, -0.0004543100000000, -0.0002046200000000 ] - [ -0.0002538400000000, 0.0000598800000000, -0.0004031100000000 ] - [ 0.0001364900000000, -0.0000031500000000, -0.0000549200000000 ] - [ -0.0002729400000000, -0.0002131500000000, -0.0004642900000000 ] - [ 0.0001801100000000, -0.0003119600000000, -0.0006648900000000 ] - [ -0.0004620100000000, 0.0002827300000000, 0.0004266800000000 ] - [ 0.0001867600000000, 0.0001462800000000, -0.0000014100000000 ] - [ 0.0005130600000000, 0.0004935400000000, 0.0003836500000000 ] - [ 0.0002246400000000, -0.0000599500000000, 0.0003693500000000 ] - [ 0.0000925400000000, -0.0000750500000000, 0.0016552500000000 ] - [ -0.0000138500000000, 0.0005414700000000, 0.0004266800000000 ] - [ -0.0016119800000000, -0.0028389700000000, -0.0025934000000000 ] - [ 0.0006486000000000, -0.0001077200000000, 0.0024192200000000 ] - [ -0.0001089000000000, -0.0000467700000000, -0.0002225700000000 ] - [ -0.0006360700000000, 0.0011017100000000, 0.0001263500000000 ] - [ -0.0000891200000000, 0.0002551100000000, 0.0004508800000000 ] - [ -0.0000604000000000, -0.0002245200000000, 0.0003693500000000 ] - [ -0.0001124800000000, -0.0001312600000000, 0.0002317400000000 ] - [ 0.0003210600000000, 0.0001298000000000, -0.0004642900000000 ] - [ 0.0000785700000000, -0.0000847500000000, -0.0002330700000000 ] - [ 0.0003868000000000, 0.0001803500000000, -0.0009606700000000 ] - [ -0.0007178000000000, -0.0003597100000000, 0.0002650400000000 ] - [ 0.0000104500000000, -0.0001730600000000, -0.0003090400000000 ] - [ 0.0004041200000000, -0.0002086700000000, -0.0002046200000000 ] - [ -0.0000355600000000, 0.0004423100000000, -0.0005367300000000 ] - [ -0.0001973900000000, -0.0001421300000000, -0.0004211100000000 ] - [ -0.0001581000000000, 0.0000630900000000, -0.0003224100000000 ] - [ -0.0003495900000000, -0.0002448000000000, -0.0009606700000000 ] - [ -0.0006839500000000, -0.0001975600000000, 0.0003836500000000 ] - [ -0.0002013400000000, 0.0000980300000000, 0.0000049600000000 ] - [ -0.0001219900000000, 0.0000238500000000, -0.0002447100000000 ] - [ -0.0001763700000000, 0.0002047400000000, 0.0004508800000000 ] - [ 0.0000750600000000, 0.0002497800000000, -0.0004031100000000 ] - [ 0.0001446400000000, -0.0000955800000000, -0.0003090400000000 ] - [ 0.0003526000000000, -0.0005245200000000, 0.0003006900000000 ] - [ -0.0002200600000000, -0.0000886000000000, -0.0000014100000000 ] - [ -0.0000655200000000, -0.0001197800000000, -0.0000549200000000 ] - [ -0.0001135400000000, 0.0001966500000000, -0.0001219200000000 ] - [ 0.0003984200000000, 0.0000181500000000, -0.0004656600000000 ] - [ -0.0002310100000000, -0.0006155600000000, 0.0024192200000000 ] - [ 0.0001699200000000, 0.0000317800000000, 0.0002317400000000 ] - [ 0.0000323200000000, -0.0000559900000000, -0.0005469900000000 ] - [ -0.0000223700000000, 0.0000387400000000, -0.0011937000000000 ] - [ -0.0006279600000000, 0.0002619400000000, 0.0014587100000000 ] - [ 0.0000173500000000, 0.0000572100000000, -0.0013430100000000 ] - [ -0.0000319500000000, -0.0002000500000000, -0.0008658100000000 ] - [ -0.0000582200000000, 0.0000135800000000, -0.0013430100000000 ] - [ -0.0054423400000000, 0.0094264200000000, -0.0031724000000000 ] - [ 0.0063293000000000, -0.0109626600000000, -0.0057783000000000 ] - [ -0.0001357000000000, -0.0003086800000000, 0.0036686700000000 ] - [ 0.0003351800000000, -0.0000368200000000, 0.0036686700000000 ] - [ 0.0001892200000000, -0.0000723600000000, -0.0008658100000000 ] - [ 0.0000871300000000, 0.0006748000000000, 0.0014587100000000 ] - [ 0.0001094800000000, -0.0001896200000000, 0.0016613700000000 ] - [ 0.0006589700000000, 0.0005657400000000, -0.0007609400000000 ] - [ -0.0008194300000000, -0.0002878100000000, -0.0007609400000000 ] - [ -0.0003425200000000, 0.0005932600000000, -0.0018076700000000 ] - [ 0.0000657200000000, 0.0000114600000000, -0.0008755300000000 ] - [ -0.0005555400000000, -0.0010117800000000, -0.0002967100000000 ] - [ 0.0011539900000000, -0.0000247800000000, -0.0002967100000000 ] - [ 0.0000515700000000, -0.0000893200000000, -0.0011721100000000 ] - [ -0.0000427900000000, -0.0000511900000000, -0.0008755300000000 ] - [ 0.0000003000000000, 0.0000168700000000, 0.0001352000000000 ] - [ -0.0000147600000000, 0.0000081700000000, 0.0001352000000000 ] - [ 0.0000419400000000, -0.0000726400000000, 0.0006978600000000 ] - [ 0.0000966400000000, -0.0001673900000000, 0.0006494900000000 ] - [ 0.0001379000000000, -0.0000362800000000, 0.0007233800000000 ] - [ 0.0000554100000000, -0.0000992400000000, 0.0003767900000000 ] - [ 0.0001096500000000, 0.0002144100000000, 0.0006618900000000 ] - [ 0.0004214400000000, 0.0002008100000000, -0.0006424900000000 ] - [ 0.0000963600000000, 0.0002200900000000, 0.0000800300000000 ] - [ -0.0002387900000000, 0.0000265900000000, 0.0000800300000000 ] - [ -0.0001500000000000, 0.0000314400000000, 0.0000432000000000 ] - [ -0.0000062000000000, 0.0000107400000000, 0.0005514300000000 ] - [ -0.0008076200000000, -0.0001830500000000, -0.0021923000000000 ] - [ -0.0005085500000000, 0.0000947700000000, 0.0005166600000000 ] - [ 0.0030202500000000, -0.0010021500000000, 0.0010675600000000 ] - [ -0.0007179600000000, -0.0000279600000000, -0.0001605200000000 ] - [ 0.0000442000000000, -0.0007637500000000, -0.0006759600000000 ] - [ 0.0001093200000000, -0.0000283900000000, 0.0006505700000000 ] - [ -0.0001007800000000, -0.0000577700000000, -0.0006352100000000 ] - [ 0.0003832000000000, 0.0006077900000000, -0.0001605200000000 ] - [ -0.0002825800000000, 0.0000452100000000, 0.0006916100000000 ] - [ -0.0006164100000000, 0.0002116700000000, -0.0031962700000000 ] - [ 0.0009350800000000, 0.0003646800000000, 0.0008255100000000 ] - [ -0.0006190800000000, 0.0010722800000000, -0.0072730500000000 ] - [ -0.0000414800000000, -0.0000384700000000, 0.0003822500000000 ] - [ 0.0001652300000000, -0.0003146000000000, 0.0005801500000000 ] - [ 0.0000635600000000, -0.0001100900000000, -0.0010328600000000 ] - [ 0.0000256200000000, -0.0000443700000000, 0.0002750400000000 ] - [ -0.0000493700000000, 0.0000855100000000, 0.0005216600000000 ] - [ -0.0000205200000000, -0.0001191500000000, -0.0009959400000000 ] - [ 0.0001722000000000, 0.0004878000000000, 0.0005166600000000 ] - [ 0.0000493700000000, -0.0000108600000000, 0.0013564300000000 ] - [ -0.0001146900000000, 0.0000001600000000, 0.0001844200000000 ] - [ 0.0001021400000000, 0.0002673300000000, 0.0006916100000000 ] - [ -0.0002819000000000, 0.0001819200000000, -0.0009289000000000 ] - [ 0.0006393200000000, -0.0004201500000000, -0.0006759600000000 ] - [ -0.0005208100000000, -0.0000164100000000, -0.0008922100000000 ] - [ 0.0002746200000000, 0.0004428300000000, -0.0008922100000000 ] - [ 0.0001898300000000, -0.0003003900000000, 0.0005801500000000 ] - [ 0.0000582400000000, -0.0000976100000000, 0.0003767900000000 ] - [ 0.0000888100000000, -0.0000066200000000, 0.0003962600000000 ] - [ 0.0002567400000000, -0.0004446800000000, 0.0003556600000000 ] - [ -0.0003314300000000, -0.0002471900000000, -0.0000509400000000 ] - [ -0.0003846200000000, -0.0002645700000000, -0.0006424900000000 ] - [ -0.0002537500000000, 0.0004395100000000, 0.0004912300000000 ] - [ -0.0000716700000000, 0.0001393400000000, 0.0006303900000000 ] - [ 0.0001167400000000, -0.0006419800000000, -0.0013541300000000 ] - [ -0.0001987400000000, 0.0000488800000000, 0.0000688100000000 ] - [ -0.0000375300000000, -0.0001375700000000, 0.0007233800000000 ] - [ 0.0019878300000000, -0.0034430200000000, 0.0034897000000000 ] - [ 0.0000165600000000, -0.0000286900000000, 0.0008718300000000 ] - [ -0.0002405100000000, 0.0000122500000000, 0.0006618900000000 ] - [ 0.0000540600000000, 0.0000166900000000, 0.0003822500000000 ] - [ -0.0000538500000000, 0.0004866700000000, -0.0000600700000000 ] - [ 0.0000477700000000, 0.0001456300000000, 0.0000432000000000 ] - [ 0.0001119800000000, -0.0001939600000000, -0.0011811200000000 ] - [ -0.0009355600000000, 0.0001334000000000, 0.0002154200000000 ] - [ 0.0001134400000000, -0.0000418100000000, -0.0009959400000000 ] - [ -0.0001435700000000, 0.0002486700000000, -0.0034619200000000 ] - [ -0.0006422400000000, -0.0031166800000000, 0.0010675600000000 ] - [ -0.0032411200000000, 0.0020198100000000, -0.0002603400000000 ] - [ 0.0001622500000000, -0.0000024800000000, 0.0006329500000000 ] - [ -0.0000029400000000, -0.0004508500000000, 0.0004647600000000 ] - [ -0.0001286500000000, 0.0038168000000000, -0.0002603400000000 ] - [ -0.0000165900000000, 0.0003350900000000, -0.0009289000000000 ] - [ -0.0000386700000000, -0.0000802300000000, 0.0003962600000000 ] - [ -0.0000300700000000, -0.0001088700000000, 0.0006505700000000 ] - [ 0.0000572100000000, 0.0000994000000000, 0.0001844200000000 ] - [ -0.0000152700000000, -0.0000481900000000, 0.0013564300000000 ] - [ 0.0004259400000000, -0.0006395800000000, -0.0001598500000000 ] - [ 0.0003744000000000, 0.0006483600000000, -0.0001644400000000 ] - [ 0.0004976000000000, -0.0004220900000000, -0.0013541300000000 ] - [ 0.0001004200000000, 0.0000584000000000, -0.0006352100000000 ] - [ -0.0007487000000000, -0.0000000600000000, -0.0001644400000000 ] - [ 0.0000570400000000, 0.0001965500000000, 0.0000688100000000 ] - [ 0.0003409200000000, -0.0006886600000000, -0.0001598500000000 ] - [ 0.0003522600000000, 0.0008769200000000, 0.0002154200000000 ] - [ 0.0003919200000000, -0.0002228800000000, 0.0004647600000000 ] - [ -0.0003945400000000, 0.0002899600000000, -0.0000600700000000 ] - [ 0.0005623300000000, 0.0006079000000000, -0.0021923000000000 ] - [ -0.0011045800000000, 0.0019131800000000, 0.0031035400000000 ] - [ 0.0001248900000000, 0.0006396600000000, -0.0031962700000000 ] - [ -0.0000848400000000, 0.0001317400000000, 0.0006303900000000 ] - [ 0.0003797900000000, 0.0001634300000000, -0.0000509400000000 ] - [ -0.0007833700000000, -0.0006274600000000, 0.0008255100000000 ] - [ -0.0000576100000000, 0.0000997800000000, 0.0006448700000000 ] - [ -0.0000789800000000, -0.0001417500000000, 0.0006329500000000 ] - [ 0.0000244500000000, -0.0000423500000000, 0.0002647900000000 ] - [ -0.0001600100000000, -0.0003179500000000, 0.0002116900000000 ] - [ 0.0018725700000000, -0.0032433900000000, -0.0010254900000000 ] - [ 0.0000618700000000, -0.0000153200000000, -0.0003623700000000 ] - [ 0.0000119300000000, -0.0000206600000000, 0.0003730900000000 ] - [ 0.0001501900000000, 0.0002808800000000, -0.0004582900000000 ] - [ -0.0000161800000000, 0.0000036800000000, 0.0003961700000000 ] - [ -0.0000176700000000, -0.0000612400000000, -0.0003623700000000 ] - [ -0.0000905900000000, -0.0000289700000000, 0.0003240000000000 ] - [ -0.0006804500000000, -0.0004624400000000, -0.0001284300000000 ] - [ 0.0000703900000000, 0.0000639600000000, 0.0003240000000000 ] - [ 0.0000049000000000, 0.0000158500000000, 0.0003961700000000 ] - [ 0.0007407100000000, 0.0003580700000000, -0.0001284300000000 ] - [ 0.0027158000000000, -0.0047039100000000, -0.0078816800000000 ] - [ -0.0001054900000000, 0.0001827100000000, -0.0003749900000000 ] - [ 0.0003553600000000, -0.0000204000000000, 0.0002116900000000 ] - [ -0.0003183500000000, 0.0000103700000000, -0.0004582900000000 ] - [ -0.0003937700000000, 0.0006820300000000, 0.0011854900000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000544900000000, 0.0001637900000000, 0.0001619800000000 ] - [ -0.0000340700000000, 0.0000746000000000, 0.0001313500000000 ] - [ -0.0000650300000000, 0.0000624300000000, 0.0001674000000000 ] - [ 0.0000038300000000, -0.0001184700000000, 0.0001274500000000 ] - [ 0.0006775000000000, 0.0003752600000000, 0.0038864300000000 ] - [ -0.0350521500000000, -0.0066564300000000, -0.0067231100000000 ] - [ 0.0003545000000000, -0.0013991500000000, -0.0000486900000000 ] - [ -0.0005134400000000, -0.0007812300000000, 0.0003926000000000 ] - [ -0.0001928000000000, 0.0001220800000000, 0.0000944300000000 ] - [ 0.0014527200000000, 0.0007638800000000, -0.0000543600000000 ] - [ -0.0000345100000000, 0.0001602900000000, 0.0001603500000000 ] - [ 0.0008233600000000, 0.0001474000000000, -0.0008541500000000 ] - [ 0.0000323400000000, 0.0004030900000000, 0.0001186800000000 ] - [ -0.0002734600000000, -0.0002051300000000, 0.0001408000000000 ] - [ 0.0002476900000000, 0.0001611100000000, -0.0001392100000000 ] - [ -0.0000182100000000, -0.0000824900000000, 0.0001216300000000 ] - [ 0.0000614100000000, -0.0000064400000000, 0.0001270800000000 ] - [ 0.0001267200000000, 0.0000936200000000, 0.0001060400000000 ] - [ 0.0001939400000000, 0.0001492700000000, 0.0000597000000000 ] - [ 0.0008713200000000, 0.0006278500000000, 0.0037858300000000 ] - [ 0.0037053600000000, 0.0030204300000000, 0.0000467500000000 ] - [ 0.0002640400000000, 0.0001352500000000, -0.0001886000000000 ] - [ 0.0000267600000000, -0.0001922000000000, 0.0002056100000000 ] - [ 0.0001123300000000, 0.0000018700000000, 0.0001641600000000 ] - [ 0.0001535600000000, 0.0000888000000000, 0.0004872300000000 ] - [ -0.0005032300000000, -0.0007872900000000, 0.0003247500000000 ] - [ 0.0002940900000000, -0.0005033100000000, -0.0005589300000000 ] - [ 0.0000263100000000, -0.0000262000000000, 0.0002469700000000 ] - [ 0.0001687600000000, 0.0001442300000000, 0.0001900700000000 ] - [ -0.0001267100000000, 0.0001651700000000, 0.0001369900000000 ] - [ 0.0033749800000000, 0.0030334200000000, 0.0000423100000000 ] - [ 0.0009488200000000, -0.0000789300000000, 0.0003035300000000 ] - [ 0.0000351500000000, -0.0000998100000000, 0.0002255400000000 ] - [ 0.0000779800000000, 0.0000267700000000, 0.0004231600000000 ] - [ -0.0014764600000000, -0.0011303000000000, -0.0017124900000000 ] - [ -0.0001609900000000, -0.0001012800000000, 0.0001518700000000 ] - [ -0.0016311600000000, 0.0001610000000000, -0.0000989400000000 ] - [ 0.0002261900000000, 0.0005247000000000, -0.0002147800000000 ] - [ 0.0005554500000000, -0.0005238100000000, 0.0000030500000000 ] - [ 0.0000393300000000, -0.0000878300000000, 0.0000498900000000 ] - [ 0.0002477600000000, 0.0002336200000000, -0.0003202500000000 ] - [ 0.0001777600000000, -0.0000914400000000, 0.0001576500000000 ] - [ 0.0008616200000000, 0.0002257200000000, -0.0009425300000000 ] - [ -0.0014789500000000, 0.0002509300000000, -0.0001122400000000 ] - [ 0.0000865400000000, -0.0001236200000000, 0.0000503700000000 ] - [ 0.0000954800000000, -0.0001403400000000, 0.0001567400000000 ] - [ 0.0001830300000000, 0.0005228100000000, -0.0003980100000000 ] - [ -0.0004103300000000, -0.0002101900000000, -0.0000321300000000 ] - [ -0.0002365300000000, 0.0000862100000000, 0.0001104400000000 ] - [ -0.0015963900000000, -0.0010889200000000, -0.0015325500000000 ] - [ 0.0001226000000000, 0.0000355400000000, 0.0002427500000000 ] - [ -0.0001737400000000, 0.0001022800000000, 0.0001828900000000 ] - [ -0.0001173400000000, 0.0000779500000000, 0.0001009500000000 ] - [ 0.0002142900000000, -0.0004511100000000, -0.0005255600000000 ] - [ -0.0000680400000000, -0.0000897300000000, 0.0001516600000000 ] - [ 0.0000984300000000, -0.0002077600000000, 0.0000511400000000 ] - [ 0.0005564400000000, -0.0004288800000000, -0.0000248900000000 ] - [ -0.0001541700000000, -0.0000555300000000, 0.0001495800000000 ] - [ 0.0000432400000000, -0.0001123100000000, 0.0003093600000000 ] - [ -0.0002038600000000, 0.0001929000000000, 0.0002107000000000 ] - [ 0.0009524000000000, -0.0000956000000000, 0.0002044500000000 ] - [ -0.0000406800000000, 0.0004301200000000, 0.0003936800000000 ] - [ 0.0002838500000000, 0.0000885800000000, -0.0001827300000000 ] - [ 0.0000114000000000, -0.0000981200000000, 0.0002711900000000 ] - [ -0.0001440900000000, 0.0000716400000000, 0.0000003900000000 ] - [ 0.0089306800000000, -0.0110971900000000, -0.0032571600000000 ] - [ 0.0000880100000000, 0.0002959500000000, -0.0005337700000000 ] - [ -0.0000958000000000, -0.0001681000000000, 0.0000194500000000 ] - [ -0.0000592900000000, -0.0001392300000000, 0.0007722300000000 ] - [ -0.0000716800000000, -0.0001418900000000, 0.0016643600000000 ] - [ 0.0083998400000000, -0.0115053300000000, -0.0035063000000000 ] - [ 0.0023845200000000, 0.0005943600000000, 0.0002468900000000 ] - [ -0.0016957500000000, 0.0023001600000000, -0.0028571500000000 ] - [ 0.0018690200000000, 0.0003881700000000, 0.0003987500000000 ] - [ 0.0005969000000000, 0.0017557900000000, 0.0000521400000000 ] - [ -0.0001702100000000, -0.0006412800000000, -0.0001811500000000 ] - [ -0.0001581000000000, 0.0000172700000000, 0.0001742200000000 ] - [ 0.0001480000000000, 0.0000860700000000, 0.0003003300000000 ] - [ -0.0022361900000000, 0.0017412700000000, -0.0029424300000000 ] - [ 0.0001860000000000, 0.0000356700000000, 0.0001168900000000 ] - [ 0.0001303900000000, 0.0003882200000000, -0.0003199300000000 ] - [ 0.0000307900000000, -0.0002059100000000, -0.0008746500000000 ] - [ 0.0000019400000000, -0.0002239500000000, -0.0002361000000000 ] - [ -0.0000455000000000, -0.0001092700000000, 0.0000953100000000 ] - [ -0.0000059500000000, -0.0000181600000000, -0.0001088400000000 ] - [ 0.0000020900000000, 0.0000063500000000, -0.0001129700000000 ] - [ 0.0000052400000000, 0.0000100600000000, 0.0001731400000000 ] - [ 0.0000140600000000, 0.0000073800000000, 0.0003433800000000 ] - [ 0.0002767400000000, 0.0000910300000000, 0.0003351900000000 ] - [ 0.0003742500000000, -0.0000207300000000, 0.0002740100000000 ] - [ -0.0000233900000000, -0.0000730100000000, 0.0005203000000000 ] - [ -0.0001766000000000, 0.0041289300000000, -0.0004577100000000 ] - [ 0.0000134200000000, 0.0003685100000000, -0.0002365500000000 ] - [ -0.0015054500000000, -0.0004187200000000, -0.0008033800000000 ] - [ -0.0006534000000000, -0.0003306800000000, -0.0000846800000000 ] - [ 0.0000053600000000, 0.0000361500000000, -0.0001013000000000 ] - [ 0.0002044600000000, -0.0002276900000000, 0.0011098500000000 ] - [ -0.0002092000000000, 0.0001827300000000, 0.0002051600000000 ] - [ 0.0003390500000000, 0.0000239600000000, 0.0000982100000000 ] - [ -0.0010664900000000, -0.0000102400000000, -0.0007695600000000 ] - [ -0.0000298700000000, -0.0010913100000000, -0.0004451300000000 ] - [ -0.0000774400000000, -0.0000898500000000, -0.0000976500000000 ] - [ -0.0044286900000000, 0.0018647800000000, -0.0006198800000000 ] - [ 0.0003677800000000, 0.0005332900000000, -0.0004575100000000 ] - [ -0.0000591000000000, 0.0001017000000000, 0.0004031500000000 ] - [ 0.0025636500000000, -0.0001865500000000, 0.0001664800000000 ] - [ 0.0002249600000000, 0.0000994600000000, 0.0001334100000000 ] - [ 0.0047505400000000, 0.0021473500000000, 0.0018575100000000 ] - [ -0.0000183200000000, -0.0000712300000000, -0.0002871000000000 ] - [ 0.0026376600000000, -0.0000433500000000, -0.0000640000000000 ] - [ 0.0000371400000000, 0.0000811700000000, 0.0001195400000000 ] - [ 0.0001604300000000, -0.0002116800000000, -0.0001142500000000 ] - [ -0.0000438400000000, 0.0000857100000000, -0.0000860800000000 ] - [ -0.0001557400000000, -0.0004417700000000, 0.0000039500000000 ] - [ -0.0000989600000000, 0.0003029900000000, 0.0001683800000000 ] - [ -0.0000464000000000, 0.0001877200000000, -0.0002324100000000 ] - [ -0.0002884400000000, -0.0000196200000000, -0.0001824400000000 ] - [ 0.0000154500000000, 0.0002342300000000, 0.0004480000000000 ] - [ 0.0006612100000000, -0.0006985400000000, 0.0011453000000000 ] - [ 0.0039944000000000, 0.0022113700000000, 0.0013482800000000 ] - [ -0.0001039800000000, 0.0004346000000000, -0.0000872300000000 ] - [ 0.0000916400000000, 0.0004954000000000, -0.0003012100000000 ] - [ 0.0008676600000000, -0.0006918900000000, 0.0013731800000000 ] - [ -0.0002134400000000, -0.0003120500000000, 0.0002117300000000 ] - [ 0.0000339800000000, -0.0000050700000000, -0.0002430200000000 ] - [ 0.0011615800000000, -0.0009150700000000, -0.0001622000000000 ] - [ -0.0000920100000000, 0.0000495500000000, 0.0004548500000000 ] - [ -0.0004906100000000, -0.0004485600000000, -0.0003660300000000 ] - [ -0.0001494800000000, 0.0003034300000000, 0.0002119800000000 ] - [ -0.0001751900000000, 0.0001818700000000, 0.0003017500000000 ] - [ -0.0007475600000000, -0.0002681500000000, -0.0001310500000000 ] - [ -0.0006972600000000, -0.0000929200000000, -0.0002852800000000 ] - [ -0.0001199400000000, -0.0001579500000000, 0.0003711500000000 ] - [ -0.0001544600000000, 0.0004223800000000, 0.0000936200000000 ] - [ 0.0002322600000000, -0.0000065300000000, 0.0006228600000000 ] - [ -0.0000011500000000, 0.0000345300000000, 0.0007842200000000 ] - [ -0.0002510300000000, -0.0000577200000000, -0.0004724900000000 ] - [ -0.0000712000000000, -0.0001300600000000, 0.0002289800000000 ] - [ -0.0000005500000000, 0.0003309500000000, -0.0002581400000000 ] - [ 0.0003822200000000, 0.0000112700000000, -0.0001604600000000 ] - [ 0.0001238600000000, 0.0001015500000000, 0.0004300300000000 ] - [ -0.0015376600000000, 0.0020815100000000, 0.0026101700000000 ] - [ -0.0000219200000000, 0.0001927500000000, -0.0014561000000000 ] - [ -0.0000934500000000, -0.0002304700000000, 0.0000934500000000 ] - [ -0.0039901600000000, 0.0019583600000000, -0.0002901400000000 ] - [ 0.0002279700000000, -0.0000631700000000, 0.0003111800000000 ] - [ -0.0000479800000000, -0.0002884300000000, 0.0001614000000000 ] - [ -0.0000355900000000, 0.0039713600000000, -0.0001686700000000 ] - [ -0.0007683700000000, -0.0003443400000000, 0.0000088200000000 ] - [ -0.0000261600000000, -0.0000414700000000, -0.0002346500000000 ] - [ 0.0001158600000000, -0.0000058800000000, -0.0000448900000000 ] - [ 0.0001036900000000, 0.0002219600000000, -0.0001562600000000 ] - [ -0.0000600200000000, -0.0001902100000000, 0.0008295200000000 ] - [ 0.0005564300000000, -0.0007718100000000, -0.0007719000000000 ] - [ 0.0005719000000000, 0.0009832000000000, -0.0007713200000000 ] - [ 0.0010387400000000, -0.0011383100000000, -0.0002141500000000 ] - [ -0.0003675100000000, -0.0009842100000000, -0.0001433900000000 ] - [ -0.0008752900000000, -0.0000543000000000, -0.0004541400000000 ] - [ 0.0002924200000000, -0.0000661900000000, -0.0002519700000000 ] - [ 0.0003802800000000, -0.0008797000000000, -0.0004491500000000 ] - [ -0.0001211000000000, -0.0002922400000000, 0.0000484100000000 ] - [ 0.0003132100000000, -0.0000798400000000, 0.0001783400000000 ] - [ -0.0000943700000000, 0.0001683300000000, 0.0003599500000000 ] - [ -0.0004315000000000, -0.0000933500000000, -0.0001024700000000 ] - [ -0.0014480100000000, 0.0021679200000000, 0.0025075900000000 ] - [ -0.0017108700000000, -0.0004178500000000, -0.0009071500000000 ] - [ -0.0000852700000000, 0.0001979600000000, 0.0003114600000000 ] - [ 0.0000035400000000, -0.0001227900000000, 0.0001876100000000 ] - [ -0.0001946100000000, -0.0001913200000000, 0.0002143300000000 ] - [ -0.0000019400000000, 0.0000554600000000, -0.0001942300000000 ] - [ -0.0000916700000000, -0.0002289500000000, 0.0002931500000000 ] - [ 0.0000764300000000, 0.0000183600000000, 0.0000038700000000 ] - [ -0.0000505900000000, -0.0000652000000000, 0.0000979200000000 ] - [ 0.0051164400000000, 0.0024250900000000, 0.0012922700000000 ] - [ -0.0005696600000000, -0.0000700200000000, 0.0002552300000000 ] - [ 0.0000199700000000, 0.0000195700000000, 0.0000650800000000 ] - [ 0.0000426600000000, 0.0005190400000000, 0.0000721700000000 ] - [ 0.0000579800000000, -0.0000105200000000, -0.0000109700000000 ] - [ 0.0001694200000000, 0.0002762900000000, 0.0001897700000000 ] - [ -0.0003281200000000, -0.0000413800000000, 0.0000874800000000 ] - [ -0.0012147800000000, -0.0004901900000000, -0.0002321900000000 ] - [ 0.0002963600000000, -0.0000988200000000, -0.0005588400000000 ] - [ -0.0000750400000000, -0.0000077200000000, 0.0000856600000000 ] - [ 0.0055686200000000, 0.0036920500000000, 0.0015643000000000 ] - [ 0.0005349100000000, -0.0002507100000000, -0.0003725700000000 ] - [ 0.0000558200000000, 0.0006349800000000, -0.0003792900000000 ] - [ 0.0000349300000000, -0.0000253500000000, 0.0001133000000000 ] - [ -0.0011147500000000, -0.0004859100000000, 0.0001968100000000 ] - [ 0.0000218600000000, 0.0000936000000000, 0.0000208500000000 ]- atom: 6 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000010900000000, 0.0002527400000000, 0.0002596700000000 ] - [ -0.0000818100000000, 0.0001569100000000, 0.0002128000000000 ] - [ 0.0000123600000000, 0.0000434300000000, 0.0001101500000000 ] - [ 0.0000133500000000, -0.0001565300000000, 0.0001217500000000 ] - [ -0.0009344400000000, 0.0000732600000000, -0.0043001500000000 ] - [ 0.0347952500000000, 0.0063289600000000, 0.0066994800000000 ] - [ 0.0000981800000000, 0.0014048000000000, 0.0000373200000000 ] - [ 0.0002504000000000, 0.0003311100000000, -0.0008251500000000 ] - [ 0.0000650200000000, 0.0001229600000000, 0.0000206400000000 ] - [ -0.0016878200000000, -0.0003751800000000, 0.0000428800000000 ] - [ 0.0000485700000000, 0.0001291800000000, 0.0000828600000000 ] - [ -0.0009642200000000, -0.0005878200000000, 0.0006150500000000 ] - [ -0.0002270000000000, -0.0008064500000000, -0.0007109200000000 ] - [ 0.0003023200000000, 0.0000430000000000, 0.0003499700000000 ] - [ 0.0001842100000000, -0.0002662400000000, -0.0001122700000000 ] - [ -0.0001032600000000, -0.0001276700000000, 0.0002261700000000 ] - [ 0.0001965400000000, 0.0000218500000000, 0.0002159200000000 ] - [ 0.0001177500000000, 0.0000625500000000, 0.0001375300000000 ] - [ -0.0002231800000000, 0.0001427100000000, 0.0000599300000000 ] - [ -0.0010587500000000, -0.0002048800000000, -0.0044070900000000 ] - [ -0.0032215400000000, -0.0029944100000000, -0.0000558700000000 ] - [ 0.0000014900000000, -0.0000142100000000, 0.0003091600000000 ] - [ 0.0000286800000000, -0.0002380300000000, 0.0002139500000000 ] - [ 0.0000056000000000, 0.0000054000000000, 0.0001130700000000 ] - [ 0.0001216500000000, -0.0000814800000000, 0.0001236500000000 ] - [ 0.0002555100000000, 0.0004138100000000, -0.0009216900000000 ] - [ -0.0004026700000000, 0.0007078300000000, 0.0002142800000000 ] - [ -0.0001800800000000, -0.0000293200000000, 0.0002466200000000 ] - [ 0.0001652500000000, 0.0001103700000000, 0.0002320700000000 ] - [ 0.0001414100000000, -0.0000018000000000, 0.0003515600000000 ] - [ -0.0026493000000000, -0.0030788400000000, -0.0000021500000000 ] - [ -0.0004370700000000, 0.0000850300000000, -0.0007399200000000 ] - [ 0.0000975800000000, 0.0001943200000000, 0.0002644000000000 ] - [ 0.0000559100000000, -0.0001354400000000, 0.0000655400000000 ] - [ 0.0019308700000000, 0.0012284400000000, 0.0014537800000000 ] - [ -0.0000853900000000, -0.0000222100000000, 0.0000979000000000 ] - [ 0.0012528000000000, 0.0004690000000000, 0.0001410400000000 ] - [ -0.0003534700000000, -0.0000947900000000, -0.0000368800000000 ] - [ -0.0009341700000000, -0.0001280200000000, 0.0000350600000000 ] - [ -0.0001708100000000, -0.0001397300000000, 0.0000717600000000 ] - [ 0.0002199900000000, -0.0001907400000000, -0.0002749900000000 ] - [ 0.0000556200000000, -0.0000905100000000, 0.0000876100000000 ] - [ -0.0009703600000000, -0.0004162800000000, 0.0005875100000000 ] - [ 0.0012530300000000, 0.0001564100000000, 0.0001006600000000 ] - [ -0.0001176800000000, -0.0001770000000000, 0.0000597100000000 ] - [ 0.0002417100000000, -0.0001095700000000, 0.0002632900000000 ] - [ -0.0004700100000000, -0.0001579400000000, -0.0001953900000000 ] - [ 0.0001669200000000, 0.0000339400000000, 0.0001455200000000 ] - [ 0.0000038600000000, 0.0000878400000000, 0.0000085200000000 ] - [ 0.0018146500000000, 0.0011039100000000, 0.0011978600000000 ] - [ -0.0002838800000000, 0.0000266000000000, 0.0002464600000000 ] - [ -0.0002106600000000, 0.0000639100000000, 0.0002358400000000 ] - [ -0.0001568900000000, 0.0000327100000000, 0.0001442500000000 ] - [ -0.0005244800000000, 0.0007740600000000, 0.0002760700000000 ] - [ 0.0000024000000000, -0.0000240700000000, 0.0001188000000000 ] - [ 0.0001679400000000, 0.0000932700000000, 0.0000669800000000 ] - [ -0.0007782000000000, 0.0000434200000000, 0.0000177000000000 ] - [ -0.0002461100000000, -0.0001114400000000, 0.0002699600000000 ] - [ -0.0001802700000000, -0.0001245300000000, 0.0002997200000000 ] - [ 0.0000748600000000, 0.0000465900000000, 0.0004015300000000 ] - [ -0.0004950400000000, 0.0000304100000000, -0.0007993300000000 ] - [ -0.0002724900000000, -0.0007714400000000, -0.0006400700000000 ] - [ -0.0000057900000000, -0.0000773000000000, 0.0002983700000000 ] - [ 0.0000422100000000, 0.0000034100000000, 0.0003247500000000 ] - [ 0.0000738000000000, 0.0000427000000000, 0.0002298700000000 ] - [ -0.0089941000000000, 0.0111164600000000, 0.0034050600000000 ] - [ -0.0000878300000000, -0.0002962600000000, -0.0004727700000000 ] - [ 0.0003710800000000, 0.0006607100000000, -0.0001287900000000 ] - [ 0.0000609900000000, 0.0001393500000000, -0.0017837700000000 ] - [ 0.0000697500000000, 0.0001430200000000, -0.0007451500000000 ] - [ -0.0083356800000000, 0.0114780000000000, 0.0028602500000000 ] - [ -0.0021437400000000, -0.0001770300000000, -0.0007030700000000 ] - [ 0.0012722200000000, -0.0022695400000000, 0.0023811400000000 ] - [ -0.0024358300000000, -0.0003913500000000, -0.0005104200000000 ] - [ -0.0006084700000000, -0.0017488400000000, 0.0001111300000000 ] - [ 0.0004090100000000, 0.0002290800000000, -0.0002861600000000 ] - [ 0.0000496900000000, -0.0000179200000000, 0.0004197100000000 ] - [ -0.0000895200000000, 0.0000145200000000, 0.0003012100000000 ] - [ 0.0024619100000000, -0.0022647600000000, 0.0028431700000000 ] - [ -0.0000514800000000, -0.0000380300000000, 0.0001108900000000 ] - [ -0.0001141600000000, -0.0003979900000000, -0.0002522700000000 ] - [ -0.0000421400000000, 0.0002143900000000, 0.0003047100000000 ] - [ -0.0000050200000000, 0.0002253300000000, 0.0009126200000000 ] - [ -0.0000237200000000, -0.0000096300000000, 0.0001360100000000 ] - [ 0.0000045400000000, 0.0000142400000000, -0.0001317200000000 ] - [ -0.0000045400000000, -0.0000094500000000, -0.0001279000000000 ] - [ -0.0000027500000000, -0.0000061800000000, 0.0001558700000000 ] - [ 0.0001020900000000, -0.0002038500000000, -0.0000664600000000 ] - [ 0.0001601200000000, 0.0000871400000000, 0.0002488800000000 ] - [ 0.0002685700000000, 0.0000162400000000, 0.0001194800000000 ] - [ 0.0000226500000000, 0.0000718800000000, 0.0004873100000000 ] - [ 0.0003716100000000, -0.0038804500000000, -0.0001950300000000 ] - [ 0.0001402800000000, -0.0001053900000000, 0.0001261100000000 ] - [ 0.0012080100000000, 0.0004289000000000, 0.0006957100000000 ] - [ 0.0009165400000000, 0.0004862400000000, -0.0004333200000000 ] - [ -0.0000061000000000, -0.0000390500000000, -0.0006542500000000 ] - [ -0.0001244700000000, 0.0002139700000000, -0.0006555100000000 ] - [ -0.0002959200000000, 0.0002168800000000, 0.0001362900000000 ] - [ 0.0007700200000000, -0.0000190800000000, 0.0006723100000000 ] - [ -0.0005961600000000, -0.0000440300000000, -0.0001612400000000 ] - [ 0.0002315700000000, 0.0008133500000000, -0.0002109700000000 ] - [ -0.0000168000000000, -0.0000737000000000, -0.0001128200000000 ] - [ 0.0040926600000000, -0.0018224400000000, -0.0000306500000000 ] - [ 0.0005027200000000, 0.0008738700000000, -0.0004749800000000 ] - [ -0.0001653000000000, -0.0001011000000000, -0.0001279600000000 ] - [ -0.0022904300000000, 0.0006263000000000, -0.0004017700000000 ] - [ 0.0003469300000000, 0.0001393400000000, 0.0002072100000000 ] - [ -0.0043267600000000, -0.0021294700000000, -0.0017932500000000 ] - [ -0.0001112600000000, -0.0001563600000000, -0.0000772400000000 ] - [ -0.0026279600000000, 0.0003581700000000, -0.0004492100000000 ] - [ -0.0000856900000000, -0.0000063000000000, 0.0003229400000000 ] - [ 0.0000709700000000, -0.0001809800000000, -0.0001852200000000 ] - [ -0.0000520400000000, 0.0000656700000000, -0.0001229800000000 ] - [ 0.0001582800000000, 0.0004441100000000, -0.0000316500000000 ] - [ 0.0000195200000000, 0.0003124600000000, 0.0001727100000000 ] - [ 0.0000426400000000, -0.0001921400000000, 0.0018746600000000 ] - [ -0.0001659800000000, 0.0000233800000000, -0.0001157700000000 ] - [ 0.0000994200000000, -0.0000374800000000, -0.0001717700000000 ] - [ -0.0008867000000000, 0.0006906100000000, -0.0014721900000000 ] - [ -0.0044108800000000, -0.0023539500000000, -0.0020442700000000 ] - [ -0.0004257700000000, -0.0004201900000000, -0.0001450900000000 ] - [ 0.0001556300000000, -0.0000265600000000, 0.0000683500000000 ] - [ -0.0011042900000000, 0.0008483400000000, -0.0018796500000000 ] - [ -0.0001089300000000, -0.0002467600000000, 0.0001828500000000 ] - [ 0.0000937200000000, 0.0000110300000000, -0.0002605500000000 ] - [ -0.0010004000000000, 0.0006709900000000, 0.0000472800000000 ] - [ 0.0000118700000000, -0.0001970400000000, -0.0001559800000000 ] - [ 0.0001684100000000, 0.0004152900000000, -0.0002842900000000 ] - [ -0.0001755200000000, 0.0002501100000000, 0.0001808200000000 ] - [ -0.0002004300000000, 0.0001038300000000, 0.0002843400000000 ] - [ 0.0010046800000000, -0.0002230000000000, -0.0001057500000000 ] - [ 0.0009629700000000, -0.0000493200000000, -0.0002331200000000 ] - [ -0.0002360300000000, -0.0001223400000000, 0.0002119600000000 ] - [ -0.0003939400000000, 0.0005389300000000, 0.0006769100000000 ] - [ -0.0003506900000000, 0.0002522100000000, -0.0009938300000000 ] - [ 0.0000001700000000, -0.0000355900000000, 0.0002229800000000 ] - [ 0.0005197900000000, 0.0000652500000000, 0.0001137900000000 ] - [ -0.0000166400000000, 0.0002863100000000, 0.0000672300000000 ] - [ -0.0002551600000000, -0.0004825400000000, -0.0002574900000000 ] - [ -0.0002878500000000, -0.0001938100000000, -0.0001557100000000 ] - [ 0.0000528900000000, -0.0000984200000000, -0.0001333500000000 ] - [ 0.0015498200000000, -0.0020911700000000, -0.0026511000000000 ] - [ 0.0000249000000000, -0.0001891500000000, 0.0005611900000000 ] - [ -0.0004566700000000, -0.0007243300000000, 0.0006763000000000 ] - [ 0.0042276000000000, -0.0019656300000000, 0.0002915700000000 ] - [ 0.0002073900000000, -0.0001196200000000, 0.0002749800000000 ] - [ -0.0000321600000000, -0.0003390100000000, 0.0001793000000000 ] - [ -0.0000777700000000, -0.0041482000000000, 0.0001714500000000 ] - [ 0.0008687700000000, 0.0005159000000000, -0.0003263000000000 ] - [ -0.0000321800000000, -0.0000601100000000, -0.0002719800000000 ] - [ 0.0000631900000000, -0.0000015100000000, -0.0001635900000000 ] - [ 0.0001250700000000, 0.0001741500000000, -0.0001442300000000 ] - [ 0.0000583700000000, 0.0001856400000000, 0.0008080900000000 ] - [ 0.0003101700000000, -0.0006436300000000, -0.0001599100000000 ] - [ 0.0002106200000000, 0.0004731400000000, -0.0001594800000000 ] - [ -0.0007648200000000, 0.0006739700000000, -0.0000149600000000 ] - [ 0.0005048400000000, 0.0012881800000000, -0.0005105100000000 ] - [ -0.0007839700000000, 0.0000983000000000, -0.0004782500000000 ] - [ -0.0002889300000000, -0.0002397800000000, -0.0002675000000000 ] - [ 0.0004051200000000, -0.0005883300000000, -0.0004830700000000 ] - [ 0.0000345300000000, 0.0001518000000000, 0.0002525000000000 ] - [ 0.0002849400000000, -0.0001578500000000, 0.0001625700000000 ] - [ 0.0000105500000000, -0.0000328900000000, -0.0000590700000000 ] - [ 0.0003847700000000, 0.0000115000000000, 0.0005426100000000 ] - [ 0.0014355100000000, -0.0021597400000000, -0.0025962900000000 ] - [ 0.0011582500000000, 0.0003919700000000, 0.0006693800000000 ] - [ 0.0000204000000000, 0.0002673100000000, 0.0002742300000000 ] - [ 0.0001538600000000, 0.0001176800000000, 0.0001152000000000 ] - [ -0.0003090200000000, -0.0001930700000000, 0.0001272800000000 ] - [ -0.0000562900000000, 0.0000581100000000, -0.0003107400000000 ] - [ 0.0000272500000000, -0.0002197300000000, 0.0002903500000000 ] - [ -0.0000370400000000, -0.0000992400000000, -0.0000439300000000 ] - [ -0.0000633900000000, -0.0001331600000000, 0.0000514900000000 ] - [ -0.0050932500000000, -0.0023562100000000, -0.0010776300000000 ] - [ 0.0001009100000000, 0.0000763100000000, 0.0000731500000000 ] - [ 0.0000033200000000, -0.0000611800000000, 0.0000181300000000 ] - [ -0.0000409500000000, -0.0005216800000000, 0.0000921900000000 ] - [ -0.0001060800000000, 0.0000095500000000, 0.0000934000000000 ] - [ 0.0000700500000000, 0.0001352000000000, 0.0001383600000000 ] - [ 0.0003689400000000, 0.0001104100000000, -0.0001324000000000 ] - [ 0.0012260200000000, 0.0005107000000000, -0.0004850100000000 ] - [ -0.0003901500000000, 0.0000917500000000, 0.0005150700000000 ] - [ 0.0000980000000000, 0.0000467600000000, -0.0000042400000000 ] - [ -0.0055876200000000, -0.0037823900000000, -0.0023415300000000 ] - [ -0.0002931400000000, -0.0001513100000000, 0.0007054300000000 ] - [ -0.0000481900000000, -0.0006362800000000, -0.0003434100000000 ] - [ 0.0002000800000000, 0.0000279500000000, 0.0000337800000000 ] - [ 0.0010984100000000, 0.0004770300000000, -0.0000323800000000 ] - [ -0.0001366500000000, 0.0001113900000000, 0.0001279200000000 ]- atom: 6 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0000062800000000, 0.0002589200000000, 0.0002493600000000 ] - [ -0.0000884800000000, 0.0001647900000000, 0.0001999900000000 ] - [ -0.0000098900000000, -0.0000084700000000, 0.0001073700000000 ] - [ 0.0000310000000000, -0.0001258500000000, 0.0001357000000000 ] - [ -0.0003548600000000, -0.0019225600000000, -0.0020170600000000 ] - [ 0.0117061700000000, -0.0288397000000000, -0.0058567900000000 ] - [ -0.0002783200000000, 0.0015238800000000, -0.0000076100000000 ] - [ -0.0004044500000000, 0.0005954400000000, -0.0010016800000000 ] - [ -0.0000042100000000, 0.0001713800000000, 0.0002893100000000 ] - [ -0.0011824000000000, -0.0005179200000000, 0.0000028000000000 ] - [ 0.0000267700000000, 0.0000783700000000, 0.0000799100000000 ] - [ -0.0003803000000000, -0.0009048600000000, 0.0003525300000000 ] - [ 0.0005077400000000, 0.0003554600000000, 0.0002525800000000 ] - [ 0.0000368700000000, -0.0004056900000000, 0.0001797700000000 ] - [ 0.0003370000000000, 0.0003679500000000, -0.0002284200000000 ] - [ -0.0000734600000000, -0.0001575400000000, 0.0001946600000000 ] - [ 0.0001574400000000, -0.0000195600000000, 0.0002078500000000 ] - [ 0.0001280400000000, 0.0001071100000000, 0.0001049300000000 ] - [ -0.0001181100000000, 0.0000515400000000, 0.0000752200000000 ] - [ -0.0001796600000000, -0.0020251100000000, -0.0018250300000000 ] - [ 0.0013404000000000, -0.0016617500000000, -0.0001580800000000 ] - [ 0.0002853400000000, -0.0000234100000000, -0.0000396900000000 ] - [ 0.0000469000000000, -0.0002075400000000, 0.0002306700000000 ] - [ 0.0000235200000000, 0.0000054000000000, 0.0001087500000000 ] - [ 0.0002129200000000, -0.0000914900000000, 0.0003798100000000 ] - [ -0.0004475800000000, 0.0006604200000000, -0.0010905000000000 ] - [ -0.0004960900000000, 0.0007624300000000, 0.0001848900000000 ] - [ -0.0000913200000000, 0.0000789400000000, 0.0002751300000000 ] - [ 0.0001808400000000, 0.0001531800000000, 0.0002068900000000 ] - [ 0.0000036000000000, 0.0002405500000000, 0.0000329000000000 ] - [ 0.0016721600000000, -0.0014017300000000, -0.0001321700000000 ] - [ -0.0002506300000000, 0.0000503600000000, -0.0006861100000000 ] - [ -0.0000459400000000, 0.0002102400000000, 0.0002823400000000 ] - [ 0.0001398300000000, -0.0001533300000000, 0.0003223000000000 ] - [ -0.0000420400000000, 0.0006435200000000, 0.0037509400000000 ] - [ -0.0001296500000000, -0.0000144300000000, 0.0000701100000000 ] - [ 0.0002113900000000, 0.0040058100000000, -0.0000091500000000 ] - [ 0.0001356900000000, 0.0003571400000000, -0.0001467300000000 ] - [ -0.0006161200000000, 0.0001016400000000, -0.0000086800000000 ] - [ -0.0001108400000000, -0.0000173700000000, 0.0000883400000000 ] - [ 0.0003512200000000, 0.0004999800000000, -0.0004038400000000 ] - [ 0.0000737700000000, -0.0000909300000000, 0.0000805400000000 ] - [ -0.0003965200000000, -0.0007923800000000, 0.0003399700000000 ] - [ 0.0005239200000000, 0.0036385700000000, -0.0000527900000000 ] - [ -0.0000627700000000, -0.0000508400000000, 0.0000667200000000 ] - [ 0.0002004700000000, -0.0001528100000000, 0.0002553300000000 ] - [ 0.0000750300000000, 0.0002970700000000, -0.0003171100000000 ] - [ -0.0001020100000000, -0.0004260300000000, -0.0000127700000000 ] - [ -0.0000627800000000, 0.0001533500000000, 0.0002730500000000 ] - [ -0.0000468600000000, 0.0007983500000000, 0.0035849200000000 ] - [ -0.0001796400000000, -0.0000623400000000, 0.0002643300000000 ] - [ -0.0001799700000000, 0.0000998500000000, 0.0002108600000000 ] - [ -0.0001207800000000, 0.0000642900000000, 0.0001120700000000 ] - [ -0.0006000800000000, 0.0007934500000000, 0.0002233400000000 ] - [ -0.0000418800000000, -0.0000139900000000, 0.0000939700000000 ] - [ 0.0000236600000000, 0.0001111300000000, 0.0000810700000000 ] - [ -0.0005487000000000, 0.0003255400000000, -0.0000273200000000 ] - [ -0.0002145400000000, -0.0001390800000000, 0.0002389300000000 ] - [ -0.0000880600000000, -0.0000198000000000, 0.0003179900000000 ] - [ -0.0000718700000000, 0.0002742200000000, 0.0000625400000000 ] - [ -0.0002732100000000, -0.0000067600000000, -0.0007211800000000 ] - [ 0.0004461100000000, 0.0003379300000000, 0.0005464900000000 ] - [ 0.0002838000000000, -0.0000697400000000, -0.0000296800000000 ] - [ -0.0000056300000000, 0.0000729500000000, 0.0003382500000000 ] - [ 0.0000248900000000, -0.0000333300000000, 0.0000222000000000 ] - [ -0.0091038300000000, 0.0057966000000000, 0.0023612100000000 ] - [ 0.0002366600000000, 0.0002491100000000, -0.0005134400000000 ] - [ -0.0005943000000000, 0.0022148500000000, 0.0003539200000000 ] - [ -0.0001152400000000, -0.0001132200000000, -0.0016738700000000 ] - [ -0.0001158500000000, -0.0000934200000000, -0.0007048400000000 ] - [ -0.0090955000000000, 0.0067291400000000, 0.0018842900000000 ] - [ -0.0001863200000000, -0.0001406600000000, -0.0001647300000000 ] - [ 0.0024913700000000, -0.0002614400000000, -0.0031687600000000 ] - [ -0.0005844200000000, -0.0003016900000000, 0.0000429700000000 ] - [ 0.0014199900000000, 0.0016069300000000, -0.0001067200000000 ] - [ -0.0006751400000000, 0.0018760500000000, 0.0001836800000000 ] - [ 0.0000053100000000, -0.0000854200000000, 0.0002101900000000 ] - [ 0.0000047200000000, 0.0000166000000000, 0.0003104400000000 ] - [ 0.0030851600000000, -0.0014586400000000, -0.0033420500000000 ] - [ 0.0000414700000000, -0.0000316800000000, 0.0001197900000000 ] - [ 0.0003213800000000, 0.0003333200000000, -0.0002724600000000 ] - [ -0.0002917700000000, -0.0001536400000000, 0.0002044400000000 ] - [ -0.0002923700000000, -0.0001346300000000, 0.0008407100000000 ] - [ -0.0000674700000000, 0.0000615700000000, 0.0001481000000000 ] - [ -0.0000134100000000, -0.0000155600000000, -0.0001192600000000 ] - [ 0.0000057500000000, 0.0000051200000000, -0.0001151900000000 ] - [ 0.0000081200000000, 0.0000078900000000, 0.0001690900000000 ] - [ 0.0001386900000000, -0.0001165700000000, -0.0000822900000000 ] - [ 0.0001994100000000, 0.0001501000000000, 0.0003228800000000 ] - [ 0.0002888000000000, 0.0000254300000000, 0.0002247200000000 ] - [ -0.0000581100000000, -0.0000638400000000, 0.0004889100000000 ] - [ 0.0019803000000000, -0.0018099900000000, -0.0004031400000000 ] - [ 0.0000839500000000, -0.0006977900000000, 0.0001378900000000 ] - [ -0.0002123500000000, 0.0003480500000000, 0.0000167100000000 ] - [ 0.0003757200000000, 0.0000952700000000, -0.0004073400000000 ] - [ 0.0000609200000000, 0.0000195800000000, -0.0006297600000000 ] - [ -0.0001835900000000, 0.0000531600000000, 0.0011273400000000 ] - [ -0.0002930700000000, 0.0002373500000000, 0.0002412100000000 ] - [ 0.0008218600000000, 0.0000102900000000, 0.0006848100000000 ] - [ -0.0005622400000000, -0.0000110900000000, -0.0001651000000000 ] - [ -0.0001881800000000, -0.0007536300000000, -0.0003338000000000 ] - [ -0.0000432500000000, -0.0000738900000000, -0.0001092700000000 ] - [ 0.0032001500000000, -0.0008256200000000, 0.0001162700000000 ] - [ 0.0003065200000000, 0.0005447900000000, -0.0004723800000000 ] - [ 0.0000502400000000, 0.0001091600000000, -0.0002144400000000 ] - [ -0.0013632000000000, 0.0022406000000000, 0.0002137000000000 ] - [ 0.0002947900000000, 0.0001431200000000, 0.0001740900000000 ] - [ -0.0022950300000000, 0.0009378500000000, -0.0011048500000000 ] - [ 0.0000830300000000, -0.0004890200000000, -0.0005081900000000 ] - [ -0.0014381500000000, 0.0024527300000000, -0.0000183000000000 ] - [ 0.0001440300000000, -0.0003611800000000, -0.0001396500000000 ] - [ 0.0000766800000000, -0.0001595400000000, -0.0000807700000000 ] - [ -0.0000384800000000, 0.0000453800000000, -0.0001220300000000 ] - [ -0.0003648500000000, -0.0004198400000000, 0.0001083800000000 ] - [ -0.0000171900000000, 0.0003386000000000, 0.0001718400000000 ] - [ 0.0001951800000000, 0.0000032600000000, 0.0017554500000000 ] - [ -0.0002217800000000, 0.0000239100000000, -0.0001484500000000 ] - [ 0.0001245900000000, 0.0002499800000000, -0.0000281600000000 ] - [ -0.0013717800000000, 0.0003436700000000, -0.0001854400000000 ] - [ -0.0020766400000000, 0.0007445900000000, -0.0013029600000000 ] - [ 0.0001993900000000, -0.0007247400000000, -0.0000986700000000 ] - [ 0.0001308200000000, -0.0006368500000000, 0.0000756700000000 ] - [ -0.0013963800000000, 0.0006410100000000, -0.0002797700000000 ] - [ -0.0001406400000000, -0.0002769100000000, 0.0001825800000000 ] - [ 0.0000674200000000, 0.0000096200000000, -0.0002526900000000 ] - [ -0.0011101600000000, 0.0003645300000000, 0.0018328000000000 ] - [ 0.0000252500000000, 0.0000843000000000, -0.0000034300000000 ] - [ -0.0009881000000000, -0.0006292500000000, -0.0003971200000000 ] - [ -0.0001473600000000, 0.0002140100000000, 0.0001489400000000 ] - [ -0.0001649700000000, 0.0000916900000000, 0.0002812000000000 ] - [ 0.0003896000000000, 0.0000716800000000, -0.0000899300000000 ] - [ 0.0003926300000000, 0.0002090300000000, -0.0002559800000000 ] - [ -0.0002174000000000, -0.0001104500000000, 0.0003167300000000 ] - [ -0.0003375700000000, 0.0007096100000000, 0.0006450200000000 ] - [ -0.0002882600000000, 0.0003455200000000, 0.0006775300000000 ] - [ 0.0000600100000000, 0.0000246400000000, 0.0002589600000000 ] - [ 0.0001561100000000, 0.0000524100000000, -0.0002721100000000 ] - [ -0.0001223600000000, -0.0000568200000000, 0.0001771100000000 ] - [ 0.0003105000000000, -0.0007728100000000, -0.0002520900000000 ] - [ 0.0004899400000000, -0.0015182900000000, -0.0008617300000000 ] - [ 0.0002511000000000, 0.0001173100000000, -0.0001921300000000 ] - [ 0.0015570500000000, -0.0009079900000000, -0.0018767500000000 ] - [ 0.0001914800000000, -0.0000154200000000, 0.0004964100000000 ] - [ -0.0002793300000000, -0.0006082000000000, 0.0006649600000000 ] - [ 0.0035844300000000, -0.0010625600000000, 0.0004675200000000 ] - [ 0.0002354400000000, -0.0001619300000000, 0.0002437600000000 ] - [ -0.0000423000000000, -0.0003755100000000, 0.0001738400000000 ] - [ 0.0015962600000000, -0.0023096000000000, -0.0000037900000000 ] - [ 0.0002963700000000, 0.0001429400000000, -0.0003043200000000 ] - [ -0.0000195900000000, -0.0000806100000000, -0.0002663200000000 ] - [ 0.0000762500000000, 0.0000185200000000, -0.0000682700000000 ] - [ 0.0001142500000000, 0.0001409800000000, -0.0001480800000000 ] - [ -0.0001531100000000, -0.0001659100000000, 0.0008159100000000 ] - [ 0.0003682900000000, -0.0004728600000000, -0.0002075900000000 ] - [ 0.0003955700000000, 0.0006085400000000, -0.0001858700000000 ] - [ -0.0008584200000000, 0.0001049500000000, 0.0013973000000000 ] - [ -0.0008562500000000, -0.0009624000000000, -0.0000385900000000 ] - [ -0.0009652800000000, -0.0000632300000000, -0.0004639800000000 ] - [ 0.0003720100000000, -0.0015091100000000, -0.0009159100000000 ] - [ 0.0003463300000000, -0.0008274300000000, -0.0004672500000000 ] - [ -0.0002225100000000, -0.0002770000000000, 0.0000183100000000 ] - [ 0.0003278900000000, -0.0001698900000000, 0.0001600300000000 ] - [ 0.0000351900000000, 0.0000628600000000, -0.0000660900000000 ] - [ -0.0000039300000000, 0.0000182500000000, 0.0001332800000000 ] - [ 0.0015939100000000, -0.0010895600000000, -0.0019420500000000 ] - [ -0.0003420200000000, 0.0003848600000000, -0.0000443400000000 ] - [ -0.0000080500000000, 0.0002387800000000, 0.0002750000000000 ] - [ -0.0000966000000000, -0.0001333500000000, 0.0002251400000000 ] - [ -0.0002746600000000, -0.0001384700000000, 0.0002059000000000 ] - [ -0.0000421300000000, 0.0000798300000000, -0.0002134300000000 ] - [ -0.0000061800000000, -0.0001999900000000, 0.0002885200000000 ] - [ 0.0001447900000000, -0.0003946600000000, 0.0000984600000000 ] - [ -0.0000358700000000, -0.0001801800000000, 0.0001004700000000 ] - [ -0.0006760200000000, 0.0066620200000000, 0.0017916300000000 ] - [ -0.0002081700000000, 0.0000570400000000, 0.0001767600000000 ] - [ 0.0000347500000000, -0.0001066800000000, 0.0000696900000000 ] - [ 0.0001970700000000, -0.0009845500000000, 0.0001870200000000 ] - [ -0.0000669500000000, 0.0000601200000000, -0.0000446300000000 ] - [ 0.0002368300000000, -0.0001290800000000, 0.0002659400000000 ] - [ 0.0000285800000000, 0.0000943400000000, -0.0000163500000000 ] - [ 0.0004716700000000, 0.0004627200000000, -0.0003799300000000 ] - [ -0.0003262200000000, 0.0003178600000000, -0.0006912000000000 ] - [ 0.0000352300000000, 0.0000467700000000, 0.0000460100000000 ] - [ 0.0001352400000000, 0.0084169700000000, 0.0023025200000000 ] - [ -0.0001509900000000, 0.0002204600000000, -0.0004746200000000 ] - [ 0.0002414700000000, -0.0010662500000000, -0.0002590800000000 ] - [ 0.0001375900000000, 0.0000226300000000, 0.0000810800000000 ] - [ 0.0003575900000000, 0.0003642300000000, 0.0000793100000000 ] - [ -0.0000982700000000, 0.0001606000000000, -0.0000078600000000 ]- atom: 6 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000575600000000, 0.0001613400000000, 0.0001836300000000 ] - [ -0.0000233100000000, 0.0000600300000000, 0.0001332800000000 ] - [ -0.0000450800000000, 0.0001185700000000, 0.0001789000000000 ] - [ -0.0000124100000000, -0.0001468600000000, 0.0001091400000000 ] - [ 0.0000905900000000, 0.0023831700000000, 0.0015657100000000 ] - [ -0.0119613300000000, 0.0285010200000000, 0.0058584300000000 ] - [ 0.0007312100000000, -0.0015207200000000, -0.0000032100000000 ] - [ 0.0001430400000000, -0.0010498200000000, 0.0005678200000000 ] - [ -0.0001204400000000, 0.0000684700000000, -0.0001635300000000 ] - [ 0.0009491600000000, 0.0009083400000000, -0.0000137400000000 ] - [ -0.0000113900000000, 0.0002091400000000, 0.0001594000000000 ] - [ 0.0002419600000000, 0.0004632600000000, -0.0006022300000000 ] - [ -0.0007049200000000, -0.0007556800000000, -0.0008373600000000 ] - [ -0.0000077700000000, 0.0002484600000000, 0.0003230700000000 ] - [ 0.0000941600000000, -0.0004754600000000, -0.0000282400000000 ] - [ -0.0000440800000000, -0.0000460700000000, 0.0001435400000000 ] - [ 0.0000935000000000, 0.0000353400000000, 0.0001261600000000 ] - [ 0.0001133800000000, 0.0000496400000000, 0.0001341000000000 ] - [ 0.0000883600000000, 0.0002457200000000, 0.0000317500000000 ] - [ 0.0000006400000000, 0.0024426300000000, 0.0012467300000000 ] - [ -0.0009021700000000, 0.0016490200000000, 0.0001469800000000 ] - [ -0.0000143500000000, 0.0001465600000000, 0.0001478600000000 ] - [ 0.0000065100000000, -0.0002265300000000, 0.0001994500000000 ] - [ 0.0000995400000000, 0.0000019600000000, 0.0001780400000000 ] - [ 0.0000646500000000, 0.0000991500000000, 0.0002133700000000 ] - [ 0.0001964400000000, -0.0010313200000000, 0.0004972200000000 ] - [ 0.0003918600000000, -0.0005623100000000, -0.0005203000000000 ] - [ -0.0000578800000000, -0.0001315000000000, 0.0002304900000000 ] - [ 0.0001574300000000, 0.0001014800000000, 0.0002259400000000 ] - [ 0.0000108800000000, -0.0000816700000000, 0.0004686900000000 ] - [ -0.0009082300000000, 0.0013972800000000, 0.0001733400000000 ] - [ 0.0007660900000000, -0.0000424900000000, 0.0002431400000000 ] - [ 0.0001744500000000, -0.0001181400000000, 0.0002202100000000 ] - [ -0.0000095100000000, 0.0000472400000000, 0.0001776700000000 ] - [ 0.0004882500000000, -0.0005444700000000, -0.0039860000000000 ] - [ -0.0001155900000000, -0.0001061900000000, 0.0001742000000000 ] - [ -0.0005826800000000, -0.0033305200000000, 0.0000539400000000 ] - [ -0.0002621900000000, 0.0000755100000000, -0.0001121800000000 ] - [ 0.0002355200000000, -0.0007563200000000, 0.0000466000000000 ] - [ -0.0000188200000000, -0.0002068600000000, 0.0000423400000000 ] - [ 0.0001176200000000, -0.0004539100000000, -0.0001846200000000 ] - [ 0.0001560100000000, -0.0000912700000000, 0.0001599000000000 ] - [ 0.0002880200000000, 0.0006088900000000, -0.0006817200000000 ] - [ -0.0007617600000000, -0.0032734700000000, 0.0000392100000000 ] - [ 0.0000314500000000, -0.0002543400000000, 0.0000303000000000 ] - [ 0.0001412700000000, -0.0000971400000000, 0.0001756100000000 ] - [ -0.0003626200000000, 0.0000647600000000, -0.0002680800000000 ] - [ -0.0001460900000000, 0.0002468000000000, 0.0001130800000000 ] - [ -0.0001744700000000, 0.0000242600000000, -0.0001676700000000 ] - [ 0.0002655800000000, -0.0007872000000000, -0.0039424600000000 ] - [ 0.0000224400000000, 0.0001228000000000, 0.0002361700000000 ] - [ -0.0002067700000000, 0.0000707200000000, 0.0002190100000000 ] - [ -0.0001521600000000, 0.0000435800000000, 0.0001285500000000 ] - [ 0.0002888700000000, -0.0004721500000000, -0.0004783400000000 ] - [ -0.0000260500000000, -0.0001034900000000, 0.0001857200000000 ] - [ 0.0002478900000000, -0.0002276700000000, 0.0000231600000000 ] - [ 0.0003301400000000, -0.0007092300000000, 0.0000204800000000 ] - [ -0.0001880100000000, -0.0000315700000000, 0.0001903300000000 ] - [ -0.0000510500000000, -0.0002205400000000, 0.0002719000000000 ] - [ -0.0000587700000000, -0.0000317800000000, 0.0005294400000000 ] - [ 0.0007290900000000, -0.0000601900000000, 0.0001350100000000 ] - [ -0.0007561300000000, -0.0006806200000000, -0.0007993300000000 ] - [ -0.0000110900000000, 0.0000813200000000, 0.0001543900000000 ] - [ 0.0000584300000000, -0.0001658700000000, 0.0002579400000000 ] - [ -0.0000948900000000, 0.0001479400000000, 0.0002084200000000 ] - [ 0.0090344600000000, -0.0058530200000000, -0.0022142700000000 ] - [ -0.0002360100000000, -0.0002498100000000, -0.0004896300000000 ] - [ 0.0008703400000000, -0.0017305100000000, -0.0004619200000000 ] - [ 0.0001162000000000, 0.0001118800000000, 0.0006671300000000 ] - [ 0.0001147900000000, 0.0000963700000000, 0.0016203900000000 ] - [ 0.0091785000000000, -0.0066870800000000, -0.0025339100000000 ] - [ 0.0004185100000000, 0.0005544100000000, -0.0003005300000000 ] - [ -0.0029607400000000, 0.0003200100000000, 0.0026917400000000 ] - [ 0.0000252300000000, 0.0003021400000000, -0.0001460400000000 ] - [ -0.0014251500000000, -0.0016039200000000, 0.0002686900000000 ] - [ 0.0009121800000000, -0.0022791500000000, -0.0006518200000000 ] - [ -0.0001119600000000, 0.0000851700000000, 0.0003840000000000 ] - [ 0.0000526200000000, 0.0000822900000000, 0.0002906900000000 ] - [ -0.0028004700000000, 0.0009018200000000, 0.0032431400000000 ] - [ 0.0000931200000000, 0.0000298400000000, 0.0001089900000000 ] - [ -0.0003060500000000, -0.0003426500000000, -0.0003061900000000 ] - [ 0.0002778900000000, 0.0001606000000000, -0.0007812000000000 ] - [ 0.0002921300000000, 0.0001382300000000, -0.0001577100000000 ] - [ -0.0000017400000000, -0.0001807500000000, 0.0000832800000000 ] - [ 0.0000119500000000, 0.0000118300000000, -0.0001212700000000 ] - [ -0.0000081500000000, -0.0000080200000000, -0.0001256100000000 ] - [ -0.0000057400000000, -0.0000039600000000, 0.0001593300000000 ] - [ -0.0000194000000000, -0.0000867800000000, 0.0003492400000000 ] - [ 0.0002354200000000, 0.0000332800000000, 0.0002405100000000 ] - [ 0.0003517500000000, -0.0000299400000000, 0.0001864400000000 ] - [ 0.0000575200000000, 0.0000629100000000, 0.0005452500000000 ] - [ -0.0017576500000000, 0.0020881000000000, -0.0002505800000000 ] - [ 0.0000711600000000, 0.0009653600000000, -0.0002387200000000 ] - [ -0.0000907900000000, -0.0003404300000000, -0.0001185800000000 ] - [ -0.0001135900000000, 0.0000538400000000, -0.0000998200000000 ] - [ -0.0000622400000000, -0.0000227100000000, -0.0001585300000000 ] - [ 0.0002664400000000, -0.0000698500000000, -0.0006684300000000 ] - [ -0.0002122200000000, 0.0001610900000000, 0.0001189200000000 ] - [ 0.0002899600000000, -0.0000056400000000, 0.0001036500000000 ] - [ -0.0011027700000000, -0.0000418600000000, -0.0007860700000000 ] - [ 0.0003888100000000, 0.0004806000000000, -0.0003185000000000 ] - [ -0.0000500700000000, -0.0000876800000000, -0.0001007900000000 ] - [ -0.0035394100000000, 0.0008790600000000, -0.0007631700000000 ] - [ 0.0005648400000000, 0.0008653000000000, -0.0004802900000000 ] - [ -0.0002835900000000, -0.0001088900000000, 0.0004807100000000 ] - [ 0.0016363200000000, -0.0018037500000000, -0.0004571400000000 ] - [ 0.0002771500000000, 0.0000967800000000, 0.0001858900000000 ] - [ 0.0024705900000000, -0.0008236800000000, 0.0011352200000000 ] - [ -0.0002141800000000, 0.0002608400000000, 0.0001384600000000 ] - [ 0.0014412100000000, -0.0021366100000000, -0.0004841400000000 ] - [ -0.0001911400000000, 0.0004329100000000, 0.0005855500000000 ] - [ 0.0001561700000000, -0.0002353500000000, -0.0002397100000000 ] - [ -0.0000564600000000, 0.0001044500000000, -0.0000871500000000 ] - [ 0.0003666200000000, 0.0004230100000000, -0.0001374100000000 ] - [ -0.0000614200000000, 0.0002771400000000, 0.0001884600000000 ] - [ -0.0001984900000000, -0.0000056000000000, -0.0001133600000000 ] - [ -0.0002362600000000, -0.0000201200000000, -0.0001713800000000 ] - [ -0.0000072600000000, -0.0000484100000000, 0.0002932800000000 ] - [ 0.0011567500000000, -0.0003611100000000, -0.0001374000000000 ] - [ 0.0019440800000000, -0.0009711900000000, 0.0006396200000000 ] - [ -0.0007290800000000, 0.0007352300000000, -0.0001440700000000 ] - [ 0.0001177000000000, 0.0010995700000000, -0.0003171900000000 ] - [ 0.0011461800000000, -0.0004692600000000, -0.0002334400000000 ] - [ -0.0001808700000000, -0.0002799500000000, 0.0002299300000000 ] - [ 0.0000615200000000, -0.0000036600000000, -0.0002487900000000 ] - [ 0.0012532500000000, -0.0006034000000000, -0.0019172000000000 ] - [ -0.0001057100000000, -0.0002327900000000, 0.0003106100000000 ] - [ 0.0006608100000000, 0.0005948900000000, -0.0002513500000000 ] - [ -0.0001767000000000, 0.0003384000000000, 0.0002617800000000 ] - [ -0.0002143300000000, 0.0001899800000000, 0.0002843400000000 ] - [ -0.0001298200000000, -0.0005587100000000, -0.0001540200000000 ] - [ -0.0001262300000000, -0.0003495000000000, -0.0002531400000000 ] - [ -0.0001423100000000, -0.0001653500000000, 0.0002456300000000 ] - [ -0.0002125200000000, 0.0002539600000000, 0.0001435900000000 ] - [ 0.0001616500000000, -0.0000932500000000, -0.0010552700000000 ] - [ -0.0000605100000000, -0.0000254300000000, 0.0007746800000000 ] - [ 0.0001140200000000, -0.0000455000000000, -0.0000970700000000 ] - [ 0.0000333200000000, 0.0002149400000000, 0.0001265900000000 ] - [ -0.0005643000000000, 0.0006196800000000, -0.0002517400000000 ] - [ -0.0003941500000000, 0.0013294000000000, 0.0005324200000000 ] - [ -0.0000706300000000, -0.0001137800000000, 0.0004953200000000 ] - [ -0.0015451200000000, 0.0009167000000000, 0.0018451400000000 ] - [ -0.0001891500000000, 0.0000173100000000, -0.0013907700000000 ] - [ -0.0002733600000000, -0.0003505700000000, 0.0001231000000000 ] - [ -0.0033399800000000, 0.0010453800000000, -0.0004678900000000 ] - [ 0.0001981000000000, -0.0000260800000000, 0.0003218600000000 ] - [ -0.0000372100000000, -0.0002522900000000, 0.0001858700000000 ] - [ -0.0017410600000000, 0.0021005800000000, 0.0000096300000000 ] - [ -0.0001930900000000, 0.0000329800000000, -0.0000221900000000 ] - [ -0.0000393700000000, -0.0000218200000000, -0.0002370100000000 ] - [ 0.0001008200000000, -0.0000259500000000, -0.0001401100000000 ] - [ 0.0001160900000000, 0.0002582000000000, -0.0001735400000000 ] - [ 0.0001513100000000, 0.0001615700000000, 0.0008226600000000 ] - [ 0.0004990000000000, -0.0009446900000000, -0.0007447400000000 ] - [ 0.0003897000000000, 0.0008513200000000, -0.0007655800000000 ] - [ 0.0011435100000000, -0.0005743400000000, -0.0016510500000000 ] - [ 0.0009943800000000, 0.0012658900000000, -0.0006121200000000 ] - [ -0.0006969600000000, 0.0001064000000000, -0.0004883900000000 ] - [ -0.0003726200000000, 0.0012091000000000, 0.0004108600000000 ] - [ 0.0004406400000000, -0.0006414100000000, -0.0004850100000000 ] - [ 0.0001342100000000, 0.0001346700000000, 0.0002900200000000 ] - [ 0.0002698700000000, -0.0000683900000000, 0.0001997500000000 ] - [ -0.0001200800000000, 0.0000759600000000, 0.0003743200000000 ] - [ -0.0000405500000000, -0.0000975400000000, 0.0003153800000000 ] - [ -0.0016086600000000, 0.0010810200000000, 0.0018490400000000 ] - [ -0.0002022200000000, -0.0004049300000000, -0.0001970600000000 ] - [ -0.0000514100000000, 0.0002274600000000, 0.0002898100000000 ] - [ 0.0002577700000000, 0.0001288200000000, 0.0000844700000000 ] - [ -0.0002292300000000, -0.0002448900000000, 0.0001545300000000 ] - [ -0.0000167700000000, 0.0000350800000000, -0.0002889800000000 ] - [ -0.0000526900000000, -0.0002498800000000, 0.0002739200000000 ] - [ -0.0001043400000000, 0.0003111000000000, -0.0001405800000000 ] - [ -0.0000786100000000, -0.0000185200000000, 0.0000708800000000 ] - [ 0.0007900900000000, -0.0065005600000000, -0.0015182200000000 ] - [ -0.0002571800000000, -0.0000515600000000, 0.0001552700000000 ] - [ -0.0000095900000000, 0.0000620100000000, -0.0000077600000000 ] - [ -0.0001956900000000, 0.0009847300000000, -0.0000276500000000 ] - [ 0.0000155700000000, -0.0000611200000000, 0.0001056700000000 ] - [ 0.0000005600000000, 0.0005388600000000, 0.0000635400000000 ] - [ 0.0000137900000000, -0.0000228000000000, -0.0000328600000000 ] - [ -0.0004546900000000, -0.0004376700000000, -0.0003333400000000 ] - [ 0.0002334900000000, -0.0003263800000000, 0.0006446100000000 ] - [ -0.0000105000000000, -0.0000043200000000, 0.0000132800000000 ] - [ -0.0002901800000000, -0.0086187400000000, -0.0031598800000000 ] - [ 0.0003882200000000, -0.0006176400000000, 0.0008100400000000 ] - [ -0.0002324600000000, 0.0010594900000000, -0.0004573700000000 ] - [ 0.0000988500000000, -0.0000201200000000, 0.0000882600000000 ] - [ -0.0003767500000000, -0.0003754900000000, 0.0000829200000000 ] - [ -0.0000175000000000, 0.0000458300000000, 0.0001776700000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000016700000000, 0.0002485100000000, 0.0005675500000000 ] - [ -0.0000849700000000, 0.0001582200000000, 0.0005362200000000 ] - [ 0.0000149300000000, 0.0000989800000000, 0.0006009200000000 ] - [ 0.0000108300000000, -0.0001354700000000, 0.0005263400000000 ] - [ 0.0040152500000000, 0.0003869400000000, 0.0026728300000000 ] - [ -0.0068107700000000, -0.0108054000000000, -0.0336438700000000 ] - [ 0.0002669400000000, -0.0000297200000000, -0.0005959500000000 ] - [ 0.0004820500000000, -0.0007620200000000, -0.0004871500000000 ] - [ -0.0001244200000000, 0.0004197500000000, 0.0004529800000000 ] - [ -0.0001201500000000, 0.0002455300000000, -0.0005961500000000 ] - [ 0.0000501200000000, 0.0001960800000000, 0.0005895300000000 ] - [ -0.0007528600000000, 0.0000791000000000, -0.0003574400000000 ] - [ 0.0003278100000000, 0.0004994400000000, -0.0003723400000000 ] - [ 0.0001544000000000, 0.0002239300000000, 0.0014039300000000 ] - [ 0.0001053500000000, -0.0006370600000000, -0.0003770000000000 ] - [ -0.0001322800000000, -0.0001202400000000, 0.0005678400000000 ] - [ 0.0001693800000000, 0.0000657400000000, 0.0006324600000000 ] - [ 0.0001353600000000, 0.0000202600000000, 0.0004926200000000 ] - [ -0.0000586800000000, 0.0002052800000000, 0.0002544400000000 ] - [ 0.0040053600000000, 0.0006892700000000, 0.0023522400000000 ] - [ 0.0003211500000000, -0.0001268900000000, -0.0021745500000000 ] - [ -0.0003975600000000, 0.0000425400000000, 0.0006896200000000 ] - [ 0.0000182600000000, -0.0002329100000000, 0.0006089000000000 ] - [ 0.0000823500000000, 0.0000008800000000, 0.0004985100000000 ] - [ 0.0004110500000000, 0.0000989100000000, 0.0006965100000000 ] - [ 0.0005330600000000, -0.0007607500000000, -0.0005878600000000 ] - [ -0.0000651000000000, 0.0000737100000000, -0.0004393300000000 ] - [ -0.0000948900000000, -0.0000825200000000, 0.0004452700000000 ] - [ 0.0001967700000000, 0.0000750300000000, 0.0005750200000000 ] - [ 0.0001999100000000, -0.0003860900000000, 0.0008341700000000 ] - [ 0.0004293200000000, -0.0001022100000000, -0.0021019500000000 ] - [ 0.0003089000000000, -0.0000213900000000, -0.0005253700000000 ] - [ 0.0001249400000000, 0.0000047900000000, 0.0004512500000000 ] - [ 0.0003509200000000, 0.0000535600000000, 0.0006524600000000 ] - [ -0.0014749600000000, 0.0033703200000000, 0.0028326100000000 ] - [ -0.0000884200000000, -0.0001183300000000, 0.0005218700000000 ] - [ -0.0003542400000000, 0.0004527600000000, -0.0018130000000000 ] - [ -0.0005050500000000, -0.0001566100000000, -0.0003798900000000 ] - [ -0.0002005800000000, -0.0003686200000000, -0.0005573700000000 ] - [ -0.0000908200000000, -0.0001751600000000, 0.0002527200000000 ] - [ 0.0001546500000000, -0.0006123100000000, -0.0006486900000000 ] - [ 0.0001425900000000, -0.0000940400000000, 0.0004906600000000 ] - [ -0.0007959800000000, 0.0002353400000000, -0.0004155400000000 ] - [ -0.0002168700000000, 0.0003182300000000, -0.0018231900000000 ] - [ -0.0000399200000000, -0.0002262100000000, 0.0002486900000000 ] - [ 0.0002059600000000, -0.0000704900000000, 0.0006648300000000 ] - [ -0.0006449300000000, -0.0001887800000000, -0.0006515200000000 ] - [ 0.0000445000000000, 0.0002655000000000, 0.0012696300000000 ] - [ -0.0001816600000000, 0.0003675400000000, 0.0004425900000000 ] - [ -0.0013225300000000, 0.0033224500000000, 0.0024748200000000 ] - [ -0.0001166200000000, 0.0000777100000000, 0.0004457800000000 ] - [ -0.0002531100000000, 0.0000822700000000, 0.0005742100000000 ] - [ -0.0001938100000000, 0.0000375000000000, 0.0004934700000000 ] - [ -0.0001726100000000, 0.0001376800000000, -0.0003778600000000 ] - [ 0.0000014200000000, -0.0001100900000000, 0.0005236400000000 ] - [ 0.0002062000000000, -0.0001022700000000, 0.0002588300000000 ] - [ -0.0001364300000000, -0.0002295600000000, -0.0005788200000000 ] - [ -0.0002695100000000, -0.0000976600000000, 0.0005950900000000 ] - [ -0.0000997200000000, -0.0001831400000000, 0.0005029200000000 ] - [ 0.0001534000000000, -0.0003501700000000, 0.0009254200000000 ] - [ 0.0002741900000000, -0.0000506000000000, -0.0006307400000000 ] - [ 0.0003083900000000, 0.0005922900000000, -0.0000134700000000 ] - [ -0.0003724500000000, -0.0000340200000000, 0.0006540200000000 ] - [ 0.0000177900000000, -0.0000009600000000, 0.0013009100000000 ] - [ -0.0000732900000000, -0.0000104300000000, 0.0015346800000000 ] - [ -0.0000492800000000, -0.0006091600000000, -0.0040158100000000 ] - [ -0.0000981500000000, -0.0001851100000000, -0.0000849100000000 ] - [ -0.0002570400000000, 0.0010212500000000, -0.0002233700000000 ] - [ 0.0006503500000000, -0.0003367300000000, 0.0005312300000000 ] - [ 0.0006129400000000, -0.0003340200000000, 0.0015090700000000 ] - [ 0.0000406600000000, -0.0007904900000000, -0.0046115500000000 ] - [ 0.0010635500000000, 0.0002391700000000, -0.0003271100000000 ] - [ -0.0064556700000000, -0.0110054500000000, 0.0052898500000000 ] - [ 0.0005403000000000, 0.0000506500000000, -0.0001942100000000 ] - [ 0.0000804000000000, 0.0000812100000000, -0.0020083400000000 ] - [ -0.0003614500000000, 0.0006728900000000, -0.0003688500000000 ] - [ -0.0000905400000000, -0.0000623600000000, 0.0016988400000000 ] - [ 0.0000646800000000, 0.0000633700000000, 0.0013039100000000 ] - [ -0.0063037700000000, -0.0116868800000000, 0.0058628100000000 ] - [ 0.0000929600000000, 0.0000193500000000, 0.0011149300000000 ] - [ -0.0000700500000000, -0.0001601900000000, 0.0006150300000000 ] - [ -0.0009530100000000, 0.0004661000000000, 0.0008306400000000 ] - [ -0.0009538600000000, 0.0004968100000000, 0.0014731200000000 ] - [ -0.0000325600000000, -0.0000166900000000, 0.0011160200000000 ] - [ 0.0000134100000000, 0.0000229700000000, -0.0004318300000000 ] - [ -0.0000159300000000, -0.0000092200000000, -0.0004595900000000 ] - [ -0.0000123600000000, -0.0000061800000000, -0.0001772600000000 ] - [ 0.0003002300000000, -0.0003207100000000, 0.0000041200000000 ] - [ 0.0002920900000000, 0.0002295600000000, -0.0002697400000000 ] - [ 0.0002338400000000, 0.0000141000000000, -0.0003003400000000 ] - [ 0.0000073400000000, 0.0000171200000000, -0.0001403400000000 ] - [ -0.0003023500000000, 0.0001273000000000, 0.0008937600000000 ] - [ 0.0000611100000000, -0.0001869700000000, 0.0002250300000000 ] - [ -0.0008468900000000, -0.0001397900000000, 0.0000252900000000 ] - [ -0.0001278500000000, -0.0000789100000000, -0.0000169900000000 ] - [ 0.0001730400000000, -0.0000784600000000, -0.0011832500000000 ] - [ 0.0010877000000000, 0.0019921500000000, -0.0031171900000000 ] - [ -0.0001947400000000, 0.0001225600000000, -0.0003364500000000 ] - [ 0.0001201900000000, 0.0000454500000000, -0.0000053100000000 ] - [ -0.0012769700000000, 0.0000109900000000, -0.0008627700000000 ] - [ -0.0000338400000000, 0.0000252500000000, 0.0004512200000000 ] - [ -0.0000427300000000, -0.0000803100000000, -0.0007902200000000 ] - [ -0.0001983100000000, 0.0002967200000000, 0.0004232700000000 ] - [ 0.0004584100000000, 0.0007411600000000, -0.0007300200000000 ] - [ 0.0006060300000000, -0.0003445200000000, -0.0005380400000000 ] - [ 0.0018132800000000, 0.0032514900000000, 0.0025193300000000 ] - [ 0.0001319700000000, 0.0001106400000000, -0.0001953800000000 ] - [ 0.0003642100000000, 0.0005306300000000, 0.0032155800000000 ] - [ 0.0000112700000000, -0.0002687700000000, -0.0001830800000000 ] - [ 0.0017217200000000, 0.0032335000000000, 0.0026583800000000 ] - [ 0.0000626800000000, -0.0001367400000000, 0.0001847100000000 ] - [ 0.0001788400000000, -0.0002687100000000, -0.0006730400000000 ] - [ -0.0000484700000000, 0.0000748800000000, -0.0007897000000000 ] - [ 0.0000066200000000, 0.0000284900000000, 0.0013103000000000 ] - [ 0.0000225800000000, 0.0002008700000000, -0.0001685500000000 ] - [ -0.0005248000000000, 0.0002291600000000, 0.0002274900000000 ] - [ -0.0003768800000000, -0.0000146300000000, -0.0005199300000000 ] - [ 0.0003100300000000, -0.0001849800000000, -0.0002176700000000 ] - [ 0.0031333600000000, 0.0019009900000000, -0.0001206500000000 ] - [ 0.0003860300000000, 0.0002571200000000, 0.0028074700000000 ] - [ -0.0000194300000000, -0.0001066200000000, 0.0001355000000000 ] - [ 0.0001084400000000, -0.0001068000000000, 0.0001368200000000 ] - [ 0.0031049100000000, 0.0020289400000000, -0.0002133400000000 ] - [ -0.0001125400000000, -0.0001886900000000, -0.0001284900000000 ] - [ 0.0000705000000000, 0.0000009200000000, -0.0009376700000000 ] - [ 0.0001887800000000, 0.0036933900000000, 0.0001680000000000 ] - [ 0.0002092200000000, -0.0003371700000000, -0.0001971100000000 ] - [ 0.0000112400000000, -0.0000554000000000, 0.0004426000000000 ] - [ -0.0000999200000000, 0.0001412200000000, -0.0001653700000000 ] - [ -0.0003088500000000, 0.0001334300000000, -0.0000515700000000 ] - [ -0.0001046200000000, -0.0001071000000000, 0.0001207600000000 ] - [ -0.0000630300000000, 0.0000380600000000, -0.0000286200000000 ] - [ -0.0002655100000000, -0.0001158100000000, -0.0002219100000000 ] - [ -0.0005754900000000, 0.0006140700000000, -0.0000165400000000 ] - [ 0.0010369200000000, 0.0022015900000000, -0.0035705200000000 ] - [ 0.0001737800000000, -0.0000723500000000, -0.0002785100000000 ] - [ -0.0000405900000000, -0.0000175500000000, -0.0001555800000000 ] - [ 0.0000311400000000, 0.0003200200000000, -0.0001447200000000 ] - [ 0.0000732100000000, -0.0001712700000000, -0.0000174000000000 ] - [ 0.0003491400000000, -0.0008823000000000, -0.0001736300000000 ] - [ 0.0008058200000000, -0.0003116800000000, -0.0005187000000000 ] - [ 0.0006827000000000, -0.0000813800000000, 0.0025354900000000 ] - [ -0.0004952100000000, 0.0002410800000000, -0.0010586000000000 ] - [ -0.0003913800000000, -0.0002645300000000, 0.0000347300000000 ] - [ 0.0000369400000000, 0.0003219400000000, 0.0007672300000000 ] - [ 0.0002716000000000, -0.0002284400000000, -0.0000737600000000 ] - [ 0.0000218300000000, -0.0002242900000000, -0.0001610000000000 ] - [ -0.0004621500000000, -0.0000444200000000, 0.0012313600000000 ] - [ -0.0002286500000000, -0.0000838500000000, 0.0000543300000000 ] - [ -0.0000337700000000, -0.0000508100000000, -0.0009390400000000 ] - [ 0.0000859200000000, -0.0000034800000000, -0.0009968600000000 ] - [ 0.0001702400000000, 0.0002910200000000, -0.0004895800000000 ] - [ 0.0000802800000000, 0.0001428200000000, 0.0006379100000000 ] - [ 0.0001077700000000, -0.0005773100000000, -0.0008750800000000 ] - [ 0.0002586300000000, 0.0009386000000000, -0.0008184900000000 ] - [ 0.0002189900000000, 0.0035590700000000, 0.0000912400000000 ] - [ -0.0001520200000000, -0.0001894000000000, 0.0005398900000000 ] - [ -0.0008186700000000, 0.0001720500000000, -0.0006867800000000 ] - [ 0.0002420400000000, -0.0008613200000000, -0.0002167900000000 ] - [ 0.0005148000000000, -0.0006448200000000, -0.0006888400000000 ] - [ -0.0001122400000000, -0.0001875700000000, -0.0000925500000000 ] - [ 0.0001773300000000, -0.0001286000000000, -0.0001687300000000 ] - [ 0.0001991600000000, -0.0001434600000000, 0.0000124200000000 ] - [ -0.0002166500000000, -0.0000619200000000, 0.0002090300000000 ] - [ 0.0006795600000000, -0.0001017200000000, 0.0025932300000000 ] - [ -0.0010703600000000, -0.0001462200000000, -0.0000926400000000 ] - [ 0.0000233900000000, 0.0003204200000000, -0.0000411400000000 ] - [ 0.0002442500000000, 0.0001808700000000, -0.0001348600000000 ] - [ -0.0001745700000000, -0.0000471900000000, -0.0003810600000000 ] - [ -0.0000299400000000, 0.0000614800000000, -0.0011560300000000 ] - [ 0.0000311700000000, -0.0003299900000000, -0.0000530500000000 ] - [ -0.0001629100000000, 0.0003324400000000, -0.0000982500000000 ] - [ -0.0000769200000000, -0.0000240300000000, -0.0002473800000000 ] - [ 0.0010846000000000, 0.0026573000000000, 0.0057431400000000 ] - [ 0.0000599400000000, 0.0000205700000000, 0.0001167700000000 ] - [ -0.0000142400000000, 0.0000548700000000, -0.0002944300000000 ] - [ -0.0000913700000000, 0.0001937400000000, 0.0007002800000000 ] - [ -0.0000694600000000, -0.0000994100000000, -0.0004958000000000 ] - [ -0.0000363700000000, 0.0005388000000000, 0.0000919900000000 ] - [ 0.0003665400000000, 0.0000472800000000, -0.0000757400000000 ] - [ 0.0002630000000000, 0.0000069000000000, 0.0003172500000000 ] - [ -0.0005294200000000, -0.0008225800000000, -0.0008988100000000 ] - [ 0.0000783000000000, 0.0000270800000000, -0.0002966600000000 ] - [ 0.0018324500000000, 0.0043328100000000, 0.0060430000000000 ] - [ -0.0003760400000000, -0.0010202400000000, -0.0008598800000000 ] - [ -0.0000798200000000, 0.0001914900000000, 0.0002583200000000 ] - [ 0.0001795500000000, 0.0000132000000000, -0.0002490900000000 ] - [ 0.0002481800000000, -0.0000092000000000, 0.0007539200000000 ] - [ -0.0001043800000000, -0.0000004100000000, -0.0004644900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000542000000000, 0.0001649300000000, -0.0001533000000000 ] - [ -0.0000337900000000, 0.0000780000000000, -0.0001848200000000 ] - [ -0.0000654100000000, 0.0000032800000000, -0.0003328100000000 ] - [ 0.0000024600000000, -0.0001453900000000, -0.0002651900000000 ] - [ -0.0042151100000000, 0.0000551500000000, -0.0030832200000000 ] - [ 0.0066071400000000, 0.0104642300000000, 0.0337031600000000 ] - [ 0.0001853500000000, 0.0000368100000000, 0.0005838600000000 ] - [ -0.0007357200000000, 0.0003167300000000, 0.0000533000000000 ] - [ -0.0000061800000000, -0.0001690600000000, -0.0003465300000000 ] - [ -0.0001161400000000, 0.0001426300000000, 0.0005838000000000 ] - [ -0.0000400500000000, 0.0000989300000000, -0.0003347200000000 ] - [ 0.0006122100000000, -0.0005117100000000, 0.0001139700000000 ] - [ -0.0005277200000000, -0.0009076500000000, -0.0002224800000000 ] - [ -0.0001232600000000, -0.0003841500000000, -0.0009075700000000 ] - [ 0.0003228700000000, 0.0005277100000000, 0.0001271000000000 ] - [ 0.0000079100000000, -0.0000947000000000, -0.0002120700000000 ] - [ 0.0000942200000000, -0.0000504900000000, -0.0002813200000000 ] - [ 0.0001152300000000, 0.0001361800000000, -0.0002367700000000 ] - [ 0.0000305300000000, 0.0000828500000000, -0.0001276700000000 ] - [ -0.0042451600000000, -0.0002649600000000, -0.0029729800000000 ] - [ 0.0001177800000000, 0.0001076800000000, 0.0021657400000000 ] - [ 0.0006627500000000, 0.0000775200000000, -0.0005642000000000 ] - [ 0.0000396300000000, -0.0001943500000000, -0.0001974000000000 ] - [ 0.0000310400000000, 0.0000065100000000, -0.0002305600000000 ] - [ -0.0001393500000000, -0.0000918300000000, -0.0000829500000000 ] - [ -0.0007898300000000, 0.0003843300000000, -0.0000092000000000 ] - [ -0.0000461500000000, 0.0001356000000000, 0.0000981600000000 ] - [ -0.0000597200000000, 0.0000288100000000, 0.0000470600000000 ] - [ 0.0001332200000000, 0.0001801900000000, -0.0001602200000000 ] - [ -0.0001829700000000, 0.0005464400000000, -0.0003449300000000 ] - [ 0.0003325100000000, 0.0000991000000000, 0.0021388400000000 ] - [ 0.0001956600000000, 0.0000289200000000, 0.0000870000000000 ] - [ 0.0000070500000000, 0.0000905700000000, 0.0000369800000000 ] - [ -0.0002156900000000, -0.0001628600000000, -0.0001645300000000 ] - [ 0.0018924700000000, -0.0032303700000000, -0.0030591700000000 ] - [ -0.0001613100000000, -0.0000106900000000, -0.0002609400000000 ] - [ -0.0000296000000000, 0.0001767300000000, 0.0018577900000000 ] - [ 0.0003755600000000, 0.0005829800000000, 0.0001293600000000 ] - [ -0.0001757100000000, -0.0002857000000000, 0.0005949100000000 ] - [ -0.0000431600000000, -0.0000569000000000, -0.0001399300000000 ] - [ 0.0003180300000000, 0.0006606000000000, 0.0000493100000000 ] - [ 0.0000967000000000, -0.0000875000000000, -0.0002328500000000 ] - [ 0.0006863700000000, -0.0004316400000000, 0.0000668000000000 ] - [ -0.0000029400000000, 0.0000888200000000, 0.0018075700000000 ] - [ 0.0000097000000000, -0.0000699400000000, -0.0001313800000000 ] - [ 0.0001271100000000, -0.0001798400000000, -0.0002526200000000 ] - [ 0.0003586000000000, 0.0005583600000000, 0.0000537100000000 ] - [ -0.0002866200000000, -0.0004411200000000, -0.0011583200000000 ] - [ -0.0000482000000000, -0.0001976500000000, -0.0003197900000000 ] - [ 0.0015705400000000, -0.0033495900000000, -0.0028361300000000 ] - [ -0.0000451900000000, -0.0000166500000000, 0.0000416700000000 ] - [ -0.0001305500000000, 0.0000802600000000, -0.0001617900000000 ] - [ -0.0000831600000000, 0.0000791200000000, -0.0002359900000000 ] - [ -0.0001336100000000, 0.0001791800000000, 0.0001271000000000 ] - [ -0.0000643000000000, 0.0000005400000000, -0.0002624500000000 ] - [ 0.0000560000000000, -0.0000110600000000, -0.0001335500000000 ] - [ -0.0000889300000000, -0.0001518600000000, 0.0005708000000000 ] - [ -0.0001299900000000, -0.0000650400000000, -0.0001823000000000 ] - [ -0.0000367300000000, -0.0000531600000000, 0.0001094200000000 ] - [ -0.0002835700000000, 0.0005918000000000, -0.0003133600000000 ] - [ 0.0001894900000000, -0.0000152300000000, 0.0000343100000000 ] - [ -0.0006156000000000, -0.0009280800000000, -0.0002326700000000 ] - [ 0.0006511500000000, 0.0000452900000000, -0.0005455600000000 ] - [ 0.0000353200000000, -0.0000930300000000, -0.0007083000000000 ] - [ 0.0000041000000000, 0.0001246000000000, -0.0013037000000000 ] - [ 0.0000879200000000, 0.0005685600000000, 0.0041462100000000 ] - [ 0.0000987000000000, 0.0001850700000000, -0.0009153300000000 ] - [ 0.0005376900000000, -0.0005336100000000, 0.0001149300000000 ] - [ -0.0006536600000000, 0.0003393000000000, -0.0015342500000000 ] - [ -0.0006098900000000, 0.0003326900000000, -0.0005979600000000 ] - [ -0.0000726300000000, 0.0008276000000000, 0.0039764400000000 ] - [ -0.0008243200000000, 0.0001733700000000, -0.0001343000000000 ] - [ 0.0059678900000000, 0.0109723700000000, -0.0057020000000000 ] - [ -0.0011058300000000, -0.0000499400000000, 0.0000863300000000 ] - [ -0.0000885600000000, -0.0000765000000000, 0.0021682400000000 ] - [ 0.0005935000000000, -0.0010795400000000, -0.0000998500000000 ] - [ -0.0000185100000000, 0.0000609100000000, -0.0011065200000000 ] - [ -0.0000056900000000, 0.0000372300000000, -0.0007058000000000 ] - [ 0.0066033100000000, 0.0112311400000000, -0.0060338600000000 ] - [ 0.0000395200000000, -0.0000217300000000, -0.0008844000000000 ] - [ 0.0000854900000000, 0.0001497800000000, -0.0011891100000000 ] - [ 0.0009324200000000, -0.0004550200000000, -0.0014035800000000 ] - [ 0.0009596300000000, -0.0004975700000000, -0.0007938000000000 ] - [ -0.0000358600000000, -0.0001019600000000, -0.0008826600000000 ] - [ -0.0000149800000000, -0.0000266800000000, 0.0001918100000000 ] - [ 0.0000133900000000, 0.0000060500000000, 0.0002192600000000 ] - [ 0.0000144900000000, 0.0000102400000000, 0.0005050300000000 ] - [ -0.0001883400000000, 0.0001289500000000, 0.0002698000000000 ] - [ 0.0001417400000000, -0.0000564500000000, 0.0008555800000000 ] - [ 0.0004054800000000, -0.0000184000000000, 0.0006925200000000 ] - [ -0.0000080800000000, -0.0000181500000000, 0.0011445200000000 ] - [ 0.0004923800000000, 0.0001563800000000, -0.0015464700000000 ] - [ 0.0000918000000000, 0.0004528600000000, -0.0003399500000000 ] - [ 0.0005479000000000, 0.0001474700000000, -0.0001409800000000 ] - [ 0.0003907600000000, 0.0002329500000000, -0.0005051700000000 ] - [ -0.0001756300000000, 0.0000758000000000, 0.0004330900000000 ] - [ -0.0010010600000000, -0.0019992600000000, 0.0035477200000000 ] - [ -0.0003076700000000, 0.0002733600000000, 0.0006755800000000 ] - [ 0.0009855400000000, -0.0000403400000000, 0.0007729600000000 ] - [ -0.0003829300000000, -0.0000653200000000, -0.0000658300000000 ] - [ 0.0002337000000000, -0.0002998300000000, -0.0011067000000000 ] - [ -0.0000518300000000, -0.0000831700000000, 0.0005874600000000 ] - [ -0.0001525700000000, -0.0002525900000000, -0.0010749100000000 ] - [ 0.0004116300000000, 0.0006653000000000, -0.0001994300000000 ] - [ -0.0008336300000000, 0.0003475300000000, 0.0008149500000000 ] - [ -0.0016027100000000, -0.0029287500000000, -0.0023523200000000 ] - [ 0.0004335500000000, 0.0001276200000000, 0.0005341400000000 ] - [ -0.0004925300000000, -0.0003357600000000, -0.0032253600000000 ] - [ -0.0001416600000000, 0.0000428900000000, -0.0001725400000000 ] - [ -0.0016547600000000, -0.0028097700000000, -0.0036337000000000 ] - [ -0.0001106800000000, 0.0002110700000000, 0.0002500100000000 ] - [ 0.0000477400000000, -0.0001161600000000, 0.0003764700000000 ] - [ -0.0000474400000000, 0.0000762700000000, 0.0005889000000000 ] - [ -0.0000042400000000, -0.0000249900000000, -0.0013413000000000 ] - [ -0.0001002100000000, 0.0004101300000000, 0.0005082700000000 ] - [ 0.0005246800000000, -0.0002343800000000, 0.0013971600000000 ] - [ -0.0000670800000000, 0.0000184800000000, 0.0002243200000000 ] - [ -0.0001996500000000, 0.0003795200000000, 0.0004918900000000 ] - [ -0.0033235000000000, -0.0018979700000000, -0.0001943400000000 ] - [ -0.0002385700000000, -0.0005498100000000, -0.0034454500000000 ] - [ -0.0005077900000000, 0.0001212400000000, -0.0003626400000000 ] - [ 0.0001398800000000, 0.0005742900000000, -0.0003662300000000 ] - [ -0.0033799200000000, -0.0018831300000000, -0.0003091100000000 ] - [ -0.0002084600000000, -0.0003672400000000, 0.0005226700000000 ] - [ 0.0000568000000000, 0.0000050900000000, 0.0004243800000000 ] - [ -0.0000333400000000, -0.0039722000000000, -0.0002836200000000 ] - [ -0.0002870900000000, 0.0001888600000000, 0.0004962500000000 ] - [ -0.0003344000000000, 0.0000215500000000, -0.0010929300000000 ] - [ -0.0002231600000000, 0.0004087600000000, 0.0005575200000000 ] - [ -0.0000610400000000, 0.0001524600000000, 0.0006384600000000 ] - [ 0.0003605100000000, -0.0003823900000000, -0.0003518700000000 ] - [ 0.0003289600000000, -0.0001829000000000, -0.0004956800000000 ] - [ -0.0000846700000000, -0.0001644700000000, 0.0008068900000000 ] - [ 0.0000244600000000, 0.0003483800000000, 0.0007839100000000 ] - [ -0.0011628600000000, -0.0019622900000000, 0.0032253900000000 ] - [ -0.0001732000000000, 0.0000709500000000, 0.0012822000000000 ] - [ 0.0003084600000000, 0.0000245500000000, -0.0001964500000000 ] - [ -0.0001186200000000, -0.0001628400000000, 0.0004399100000000 ] - [ -0.0003322800000000, 0.0000208400000000, -0.0005039100000000 ] - [ -0.0002516200000000, 0.0006946500000000, -0.0001394600000000 ] - [ -0.0006233500000000, 0.0003125200000000, 0.0008120800000000 ] - [ -0.0006796000000000, 0.0000858800000000, -0.0025532300000000 ] - [ 0.0004941200000000, -0.0002363000000000, 0.0001812200000000 ] - [ -0.0001595900000000, -0.0006884400000000, 0.0007322600000000 ] - [ 0.0002118000000000, -0.0003313800000000, -0.0007653000000000 ] - [ 0.0001602700000000, 0.0000516000000000, 0.0006613400000000 ] - [ -0.0001000200000000, -0.0003987900000000, 0.0005002000000000 ] - [ 0.0003515400000000, -0.0001651300000000, -0.0012290300000000 ] - [ 0.0003288300000000, 0.0002583400000000, -0.0003679600000000 ] - [ -0.0000246600000000, -0.0000501200000000, 0.0004231900000000 ] - [ 0.0000931000000000, -0.0000036300000000, 0.0007962500000000 ] - [ 0.0000535900000000, 0.0000973300000000, 0.0001911000000000 ] - [ -0.0000826200000000, -0.0001481500000000, 0.0009854500000000 ] - [ 0.0007610400000000, -0.0008389300000000, -0.0000540300000000 ] - [ 0.0005244800000000, 0.0005163000000000, -0.0001100200000000 ] - [ 0.0000600400000000, -0.0039909700000000, -0.0003207000000000 ] - [ 0.0002892000000000, 0.0004919800000000, -0.0011921800000000 ] - [ -0.0008396500000000, -0.0001286700000000, -0.0002427100000000 ] - [ -0.0002406700000000, 0.0005593500000000, -0.0003064200000000 ] - [ 0.0002690900000000, -0.0008220600000000, -0.0002405000000000 ] - [ 0.0000252400000000, 0.0000470100000000, 0.0003931300000000 ] - [ 0.0004158400000000, -0.0001086500000000, 0.0005081600000000 ] - [ -0.0002802500000000, 0.0002766200000000, 0.0002902200000000 ] - [ 0.0001696200000000, -0.0000195500000000, 0.0002262500000000 ] - [ -0.0006841200000000, 0.0000952500000000, -0.0027002200000000 ] - [ 0.0005176200000000, 0.0001224100000000, -0.0001373800000000 ] - [ -0.0000913600000000, 0.0001396400000000, 0.0006276600000000 ] - [ -0.0000865500000000, -0.0001846400000000, 0.0004367200000000 ] - [ -0.0003257500000000, -0.0003324000000000, 0.0007198700000000 ] - [ -0.0000283600000000, 0.0000514900000000, 0.0006421700000000 ] - [ -0.0000988500000000, -0.0001131400000000, 0.0006374800000000 ] - [ 0.0002044500000000, -0.0004169400000000, 0.0000587700000000 ] - [ -0.0000367900000000, -0.0001726000000000, 0.0003941400000000 ] - [ -0.0010240100000000, -0.0025525600000000, -0.0055356800000000 ] - [ -0.0005264300000000, -0.0000150400000000, 0.0002121700000000 ] - [ 0.0000370400000000, -0.0000959000000000, 0.0003823400000000 ] - [ 0.0000895000000000, -0.0001940900000000, -0.0005338400000000 ] - [ 0.0000226500000000, 0.0000988900000000, 0.0005836700000000 ] - [ 0.0002738100000000, -0.0001249100000000, 0.0002355600000000 ] - [ -0.0003274000000000, 0.0000235600000000, 0.0000304800000000 ] - [ -0.0002501700000000, 0.0000175800000000, -0.0010393000000000 ] - [ 0.0004402500000000, 0.0008223700000000, 0.0008615900000000 ] - [ -0.0000565900000000, 0.0000111600000000, 0.0003822600000000 ] - [ -0.0019148300000000, -0.0044838300000000, -0.0068105600000000 ] - [ 0.0006111600000000, 0.0006111600000000, 0.0011840900000000 ] - [ 0.0000907800000000, -0.0001938200000000, -0.0009843100000000 ] - [ 0.0000546700000000, -0.0000107100000000, 0.0003940500000000 ] - [ -0.0002658900000000, -0.0000037500000000, -0.0005854800000000 ] - [ -0.0000104700000000, 0.0002040300000000, 0.0006080600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008289600000000, -0.0000615900000000, -0.0004200600000000 ] - [ -0.0000165200000000, -0.0000152500000000, 0.0000592200000000 ] - [ 0.0000745000000000, -0.0006215300000000, 0.0006752800000000 ] - [ 0.0000643200000000, -0.0000394300000000, 0.0002176800000000 ] - [ -0.0000206600000000, -0.0003991500000000, -0.0007611500000000 ] - [ -0.0002374600000000, -0.0001994300000000, -0.0000625700000000 ] - [ 0.0003783900000000, -0.0000743400000000, 0.0002847100000000 ] - [ 0.0002120700000000, -0.0005491600000000, -0.0001795500000000 ] - [ -0.0322919400000000, 0.0001951600000000, -0.0029749200000000 ] - [ -0.0000133000000000, 0.0001668200000000, -0.0000458500000000 ] - [ -0.0000917000000000, 0.0002547200000000, 0.0000832000000000 ] - [ 0.0002285000000000, 0.0001780500000000, 0.0003107800000000 ] - [ -0.0000821800000000, -0.0001622400000000, -0.0003257000000000 ] - [ -0.0022166100000000, -0.0001959700000000, 0.0001915700000000 ] - [ 0.0008708800000000, 0.0000453300000000, -0.0006631900000000 ] - [ -0.0000365100000000, -0.0001847400000000, 0.0002447900000000 ] - [ 0.0001447800000000, -0.0000295600000000, 0.0002016100000000 ] - [ -0.0001261100000000, 0.0001066300000000, 0.0000793700000000 ] - [ 0.0000120600000000, 0.0001421900000000, 0.0000710600000000 ] - [ -0.0001298300000000, 0.0002571100000000, -0.0002431600000000 ] - [ 0.0002345300000000, -0.0000858900000000, -0.0002313700000000 ] - [ 0.0001450800000000, 0.0000450800000000, 0.0000983800000000 ] - [ 0.0004205600000000, -0.0002479900000000, 0.0037370700000000 ] - [ 0.0000857600000000, -0.0002247000000000, 0.0001341000000000 ] - [ 0.0001270700000000, 0.0000377400000000, 0.0003092200000000 ] - [ -0.0001513300000000, -0.0001903500000000, -0.0002037800000000 ] - [ -0.0000462700000000, 0.0000688600000000, -0.0001189900000000 ] - [ -0.0013389500000000, -0.0000101600000000, 0.0001178200000000 ] - [ 0.0009116800000000, 0.0001681500000000, 0.0006656900000000 ] - [ 0.0006886200000000, 0.0002891200000000, 0.0002618200000000 ] - [ 0.0003351600000000, 0.0001391300000000, 0.0000080000000000 ] - [ 0.0003142400000000, -0.0003941500000000, -0.0002312900000000 ] - [ 0.0022437100000000, -0.0018662200000000, 0.0001479300000000 ] - [ 0.0043639400000000, -0.0037806000000000, 0.0003993800000000 ] - [ -0.0013716700000000, 0.0012943800000000, 0.0016514300000000 ] - [ -0.0001700300000000, -0.0000438800000000, -0.0000723300000000 ] - [ -0.0004832600000000, 0.0004479900000000, 0.0002416100000000 ] - [ -0.0005736700000000, 0.0006783900000000, -0.0007384600000000 ] - [ 0.0000166900000000, -0.0003354500000000, -0.0000499400000000 ] - [ 0.0014837700000000, -0.0005568500000000, 0.0000445300000000 ] - [ 0.0001507200000000, 0.0000345500000000, -0.0002910000000000 ] - [ 0.0002974000000000, -0.0000902400000000, 0.0001152600000000 ] - [ -0.0000426200000000, -0.0001216000000000, -0.0001746900000000 ] - [ -0.0000041400000000, 0.0001899300000000, -0.0000300600000000 ] - [ -0.0000408500000000, -0.0001553500000000, 0.0000553700000000 ] - [ -0.0012954600000000, 0.0009973900000000, -0.0014796500000000 ] - [ -0.0001102000000000, 0.0001607800000000, -0.0003392200000000 ] - [ -0.0001489700000000, -0.0000920100000000, 0.0000814000000000 ] - [ -0.0000958700000000, 0.0000840500000000, 0.0000702500000000 ] - [ 0.0001217200000000, -0.0000058500000000, -0.0001607300000000 ] - [ 0.0005789700000000, 0.0001699100000000, 0.0001934300000000 ] - [ -0.0006608100000000, 0.0006556200000000, 0.0006980300000000 ] - [ -0.0000498200000000, 0.0000173600000000, 0.0002676400000000 ] - [ 0.0006935300000000, -0.0000063900000000, 0.0005630100000000 ] - [ 0.0002859900000000, -0.0003474100000000, 0.0000706500000000 ] - [ 0.0001434700000000, -0.0000748900000000, 0.0000464900000000 ] - [ -0.0002519100000000, -0.0002716600000000, 0.0002181200000000 ] - [ 0.0001167000000000, 0.0004425600000000, -0.0001781400000000 ] - [ -0.0000230200000000, -0.0001209300000000, 0.0003087500000000 ] - [ -0.0001187500000000, 0.0001375900000000, 0.0003127100000000 ] - [ 0.0002938600000000, -0.0000333000000000, -0.0002465000000000 ] - [ 0.0003040200000000, -0.0001699900000000, -0.0039028200000000 ] - [ 0.0001320200000000, 0.0013478900000000, 0.0000403500000000 ] - [ -0.0012885200000000, -0.0026212300000000, -0.0024477000000000 ] - [ -0.0002981300000000, 0.0001207900000000, 0.0007108900000000 ] - [ 0.0001326800000000, 0.0002785100000000, 0.0012732600000000 ] - [ -0.0000329100000000, 0.0000319900000000, -0.0004397200000000 ] - [ 0.0002998700000000, 0.0002139700000000, -0.0000041200000000 ] - [ 0.0000044500000000, 0.0000423800000000, -0.0004674700000000 ] - [ 0.0007952800000000, -0.0019385200000000, 0.0001453000000000 ] - [ 0.0001815200000000, -0.0004437000000000, -0.0003157400000000 ] - [ 0.0019942800000000, -0.0001642000000000, -0.0008480000000000 ] - [ -0.0004646400000000, 0.0003443200000000, -0.0002070400000000 ] - [ -0.0003117000000000, 0.0000080900000000, -0.0000030100000000 ] - [ -0.0003205800000000, 0.0001541700000000, -0.0012197500000000 ] - [ -0.0012152800000000, -0.0016403100000000, 0.0072153500000000 ] - [ -0.0002309400000000, 0.0005211100000000, 0.0004310200000000 ] - [ 0.0023134800000000, -0.0003536400000000, 0.0008593400000000 ] - [ 0.0000073600000000, -0.0002279200000000, -0.0000347000000000 ] - [ 0.0000128700000000, -0.0000035000000000, 0.0001082000000000 ] - [ 0.0083610300000000, 0.0113821200000000, 0.0024529300000000 ] - [ 0.0109113200000000, 0.0042642600000000, -0.0022745100000000 ] - [ 0.0000242800000000, -0.0000645800000000, 0.0003939600000000 ] - [ 0.0002834500000000, -0.0001046900000000, -0.0000012500000000 ] - [ 0.0000394700000000, -0.0000960500000000, -0.0005090500000000 ] - [ -0.0000484900000000, -0.0001075200000000, 0.0002291100000000 ] - [ -0.0000673600000000, 0.0002067600000000, 0.0001347500000000 ] - [ 0.0000374500000000, -0.0000533500000000, 0.0001070300000000 ] - [ 0.0003405500000000, 0.0001874700000000, 0.0001003100000000 ] - [ 0.0004514100000000, -0.0004249800000000, 0.0002098800000000 ] - [ -0.0015257400000000, -0.0022380600000000, -0.0018829400000000 ] - [ 0.0001116600000000, 0.0001072300000000, -0.0006414400000000 ] - [ 0.0000115200000000, 0.0001391200000000, -0.0000545200000000 ] - [ -0.0001405700000000, -0.0000275400000000, -0.0000601200000000 ] - [ 0.0001610200000000, 0.0000816600000000, -0.0002740600000000 ] - [ -0.0000126200000000, 0.0000308300000000, -0.0004334500000000 ] - [ 0.0001406500000000, -0.0003976700000000, 0.0002455100000000 ] - [ -0.0003172100000000, -0.0000962500000000, 0.0000059800000000 ] - [ 0.0001264600000000, 0.0004682100000000, 0.0003985500000000 ] - [ -0.0008586000000000, -0.0000339700000000, -0.0004766700000000 ] - [ 0.0000729700000000, -0.0000991600000000, -0.0000180700000000 ] - [ -0.0004700100000000, -0.0000136300000000, -0.0005015200000000 ] - [ -0.0004918900000000, -0.0000283600000000, -0.0006223400000000 ] - [ 0.0004317500000000, 0.0006853300000000, -0.0005148600000000 ] - [ -0.0001200000000000, 0.0000156000000000, 0.0001127700000000 ] - [ 0.0004483300000000, 0.0001881200000000, -0.0000313900000000 ] - [ -0.0012213100000000, 0.0005366300000000, -0.0006163500000000 ] - [ -0.0001593000000000, 0.0003657000000000, 0.0001351800000000 ] - [ -0.0001040800000000, -0.0001085800000000, -0.0002102800000000 ] - [ 0.0000502300000000, 0.0001690000000000, -0.0002618100000000 ] - [ 0.0026736800000000, -0.0002622200000000, -0.0018233800000000 ] - [ 0.0003128800000000, -0.0003688100000000, -0.0003126900000000 ] - [ 0.0000732200000000, 0.0003437100000000, 0.0008665300000000 ] - [ 0.0000365800000000, -0.0002011300000000, 0.0010215300000000 ] - [ -0.0008536800000000, 0.0007452500000000, 0.0003396400000000 ] - [ -0.0000036800000000, -0.0000146100000000, 0.0007625800000000 ] - [ -0.0001822200000000, -0.0000544800000000, -0.0001655600000000 ] - [ 0.0000517400000000, 0.0001226100000000, 0.0001134800000000 ] - [ 0.0000508400000000, -0.0002745600000000, -0.0001311600000000 ] - [ 0.0002099600000000, -0.0004189200000000, -0.0006137200000000 ] - [ -0.0007022600000000, 0.0001402600000000, -0.0014668000000000 ] - [ 0.0013486600000000, 0.0015999800000000, -0.0019427600000000 ] - [ -0.0000672200000000, 0.0000933400000000, -0.0002150300000000 ] - [ -0.0010224400000000, -0.0002558100000000, 0.0001761100000000 ] - [ 0.0000942700000000, -0.0000240800000000, -0.0002500800000000 ] - [ 0.0001588100000000, -0.0001670800000000, -0.0000694300000000 ] - [ -0.0027824400000000, -0.0025641800000000, -0.0002907800000000 ] - [ 0.0002649800000000, -0.0000700800000000, -0.0000656900000000 ] - [ 0.0023063700000000, 0.0007918200000000, 0.0005474200000000 ] - [ -0.0003578400000000, 0.0001709400000000, 0.0003076200000000 ] - [ -0.0005204800000000, 0.0002534100000000, 0.0001241400000000 ] - [ 0.0001309000000000, -0.0000868100000000, -0.0002759100000000 ] - [ -0.0001327600000000, -0.0001139500000000, 0.0001268200000000 ] - [ -0.0008023100000000, 0.0018515800000000, 0.0006018500000000 ] - [ -0.0000336500000000, 0.0001154300000000, -0.0002058500000000 ] - [ -0.0019513100000000, -0.0008468900000000, 0.0024341100000000 ] - [ 0.0001431700000000, 0.0000010400000000, -0.0002109400000000 ] - [ 0.0000359000000000, -0.0040160900000000, 0.0004277500000000 ] - [ -0.0002292200000000, -0.0000590600000000, -0.0003131400000000 ] - [ 0.0020203800000000, -0.0005606900000000, -0.0017815200000000 ] - [ 0.0021649900000000, 0.0017089700000000, 0.0016060000000000 ] - [ -0.0001420300000000, -0.0001800800000000, -0.0009555800000000 ] - [ -0.0002162400000000, 0.0005260600000000, -0.0002326500000000 ] - [ -0.0003800700000000, 0.0004438000000000, 0.0003403700000000 ] - [ 0.0000089300000000, 0.0001563800000000, -0.0000507000000000 ] - [ 0.0000946600000000, -0.0000064100000000, 0.0003109200000000 ] - [ 0.0008915000000000, 0.0006902600000000, 0.0000801400000000 ] - [ -0.0001035200000000, 0.0001226400000000, -0.0000819700000000 ] - [ -0.0006503600000000, -0.0000609700000000, 0.0000147000000000 ] - [ -0.0002441600000000, -0.0000099200000000, -0.0001665800000000 ] - [ 0.0001285600000000, -0.0000707100000000, -0.0002225900000000 ] - [ -0.0000254200000000, 0.0001501300000000, -0.0001431400000000 ] - [ 0.0000095700000000, -0.0000116600000000, 0.0007995700000000 ] - [ 0.0004556200000000, -0.0007413100000000, -0.0004837100000000 ] - [ 0.0004000600000000, 0.0007152900000000, -0.0004679600000000 ] - [ 0.0000884200000000, -0.0003762500000000, -0.0001193800000000 ] - [ -0.0000024100000000, -0.0000609300000000, 0.0000080100000000 ] - [ -0.0007910600000000, 0.0000084800000000, -0.0005101500000000 ] - [ -0.0000608600000000, -0.0001231500000000, -0.0002443200000000 ] - [ 0.0003921900000000, -0.0007493200000000, -0.0005266900000000 ] - [ 0.0050978800000000, -0.0016484900000000, -0.0018410400000000 ] - [ 0.0009989200000000, 0.0006742900000000, 0.0015683500000000 ] - [ -0.0028445200000000, 0.0000214600000000, 0.0001117300000000 ] - [ -0.0009374900000000, 0.0002639200000000, 0.0006102900000000 ] - [ -0.0000350700000000, 0.0000771800000000, -0.0000522900000000 ] - [ -0.0013064400000000, 0.0002675100000000, 0.0001541100000000 ] - [ 0.0000245600000000, 0.0002511700000000, 0.0002954400000000 ] - [ -0.0039109800000000, -0.0018656500000000, 0.0004532000000000 ] - [ 0.0000887800000000, -0.0003165200000000, 0.0002334700000000 ] - [ 0.0002055100000000, 0.0000550900000000, -0.0008050200000000 ] - [ -0.0000598500000000, -0.0002167000000000, 0.0002634700000000 ] - [ 0.0000486200000000, -0.0000398700000000, -0.0000498800000000 ] - [ -0.0009558200000000, 0.0002126500000000, 0.0001715100000000 ] - [ 0.0004182400000000, -0.0000845700000000, 0.0005179700000000 ] - [ -0.0001054200000000, -0.0004179500000000, 0.0002344200000000 ] - [ 0.0000547300000000, -0.0000205300000000, 0.0000936700000000 ] - [ -0.0003214400000000, 0.0000369900000000, 0.0000190000000000 ] - [ -0.0000187800000000, -0.0000116300000000, -0.0000102800000000 ] - [ -0.0008423600000000, 0.0005603800000000, 0.0001422600000000 ] - [ -0.0000098900000000, 0.0000464300000000, -0.0000337600000000 ] - [ -0.0000823100000000, 0.0000511700000000, -0.0002855900000000 ] - [ -0.0000434000000000, -0.0000197600000000, -0.0000345400000000 ] - [ -0.0000389400000000, 0.0000377000000000, -0.0000393300000000 ] - [ 0.0000015600000000, -0.0000476600000000, -0.0003394200000000 ] - [ 0.0034873700000000, 0.0006735600000000, 0.0008746100000000 ] - [ 0.0000769800000000, 0.0000208200000000, -0.0005414800000000 ] - [ 0.0002031500000000, -0.0004400700000000, 0.0000885800000000 ] - [ 0.0000620600000000, 0.0000060600000000, 0.0000543700000000 ] - [ 0.0053463800000000, -0.0023783900000000, 0.0024267500000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007781700000000, 0.0004824500000000, 0.0008562500000000 ] - [ -0.0000953800000000, 0.0002404600000000, 0.0002744800000000 ] - [ -0.0001294800000000, 0.0007271200000000, -0.0003973800000000 ] - [ -0.0000455300000000, -0.0002337200000000, 0.0000281300000000 ] - [ -0.0002310500000000, 0.0008460700000000, 0.0003176700000000 ] - [ 0.0000168400000000, -0.0001847000000000, 0.0000556800000000 ] - [ 0.0000757600000000, 0.0000793000000000, -0.0002951500000000 ] - [ -0.0004702400000000, 0.0000999600000000, -0.0002621000000000 ] - [ 0.0317796600000000, 0.0001902500000000, 0.0032704000000000 ] - [ -0.0002214400000000, 0.0002223500000000, 0.0000336700000000 ] - [ 0.0001074500000000, 0.0000333500000000, 0.0001564100000000 ] - [ -0.0003677800000000, -0.0006172100000000, -0.0005617500000000 ] - [ -0.0001147900000000, -0.0002408500000000, -0.0002592400000000 ] - [ 0.0022499600000000, 0.0000618300000000, 0.0003057000000000 ] - [ -0.0004380100000000, -0.0001513300000000, 0.0004036500000000 ] - [ -0.0000822600000000, -0.0000202400000000, 0.0000946700000000 ] - [ 0.0001070300000000, 0.0000456000000000, 0.0001324200000000 ] - [ 0.0003662200000000, 0.0000506100000000, 0.0001598500000000 ] - [ -0.0000423400000000, 0.0001557400000000, 0.0000409200000000 ] - [ -0.0000630100000000, 0.0001691700000000, -0.0003423700000000 ] - [ 0.0002192800000000, 0.0000774200000000, 0.0002194200000000 ] - [ 0.0001279400000000, 0.0000775800000000, 0.0000134000000000 ] - [ -0.0003765900000000, -0.0001877000000000, -0.0032889000000000 ] - [ 0.0000301900000000, 0.0002296600000000, 0.0001451400000000 ] - [ 0.0001518200000000, -0.0000299400000000, 0.0002796000000000 ] - [ -0.0000991500000000, -0.0001816400000000, -0.0003813800000000 ] - [ -0.0000618900000000, 0.0001355600000000, -0.0002144400000000 ] - [ 0.0011835800000000, -0.0000512400000000, 0.0003797300000000 ] - [ -0.0005730200000000, 0.0000872500000000, -0.0002322600000000 ] - [ -0.0006710700000000, -0.0001281200000000, 0.0002313400000000 ] - [ 0.0004142000000000, -0.0001509400000000, 0.0000323900000000 ] - [ 0.0001963900000000, 0.0003991000000000, -0.0002135000000000 ] - [ -0.0021291500000000, 0.0019813500000000, 0.0003444300000000 ] - [ -0.0041934700000000, 0.0036251200000000, 0.0000939400000000 ] - [ 0.0018243700000000, -0.0011852200000000, -0.0019034700000000 ] - [ -0.0000751300000000, -0.0000757100000000, 0.0003176900000000 ] - [ 0.0000980500000000, 0.0001953400000000, -0.0001983400000000 ] - [ 0.0004421000000000, -0.0002469100000000, 0.0004781300000000 ] - [ -0.0003944700000000, -0.0003188600000000, 0.0000860300000000 ] - [ -0.0016149900000000, 0.0003332800000000, 0.0000786900000000 ] - [ 0.0003147000000000, 0.0000114500000000, -0.0002945500000000 ] - [ -0.0000668900000000, -0.0000928600000000, 0.0001264000000000 ] - [ -0.0000676900000000, -0.0000692500000000, -0.0001665100000000 ] - [ -0.0002179000000000, 0.0002051700000000, 0.0000186400000000 ] - [ 0.0000083200000000, -0.0001510500000000, 0.0000461500000000 ] - [ 0.0016506600000000, -0.0012424700000000, 0.0019029700000000 ] - [ -0.0001755500000000, 0.0002012100000000, -0.0002445700000000 ] - [ -0.0000999700000000, -0.0000889800000000, 0.0000203600000000 ] - [ -0.0001410900000000, 0.0000934800000000, 0.0000395700000000 ] - [ 0.0001098800000000, 0.0000145400000000, -0.0001727500000000 ] - [ -0.0007390500000000, -0.0001123100000000, 0.0002984200000000 ] - [ 0.0002712400000000, -0.0004855700000000, -0.0002677200000000 ] - [ -0.0002243100000000, 0.0000907500000000, -0.0000257400000000 ] - [ -0.0010031700000000, 0.0003293200000000, -0.0008258400000000 ] - [ -0.0003497300000000, 0.0002361000000000, 0.0002024800000000 ] - [ 0.0001290400000000, -0.0000416200000000, 0.0000629000000000 ] - [ 0.0000287500000000, -0.0001129500000000, -0.0002244100000000 ] - [ -0.0005186600000000, -0.0006142600000000, 0.0006079700000000 ] - [ -0.0001165800000000, -0.0001208700000000, 0.0002784900000000 ] - [ -0.0000141400000000, 0.0001078600000000, 0.0002761400000000 ] - [ 0.0001625000000000, -0.0000330500000000, -0.0003373000000000 ] - [ -0.0006232200000000, -0.0001720600000000, 0.0036332000000000 ] - [ 0.0001403400000000, -0.0013351500000000, 0.0000776200000000 ] - [ 0.0013915800000000, 0.0024970400000000, 0.0030338400000000 ] - [ 0.0002283200000000, -0.0000068600000000, -0.0004786300000000 ] - [ -0.0001236100000000, -0.0002817800000000, -0.0011131600000000 ] - [ 0.0000328000000000, -0.0000326200000000, -0.0005520700000000 ] - [ -0.0000183800000000, 0.0002738600000000, -0.0000956000000000 ] - [ -0.0000048500000000, -0.0000418100000000, -0.0005244100000000 ] - [ -0.0007934100000000, 0.0019419600000000, 0.0007550800000000 ] - [ -0.0001818200000000, 0.0004434700000000, -0.0003589200000000 ] - [ -0.0017580400000000, 0.0005712800000000, 0.0003716900000000 ] - [ 0.0000018100000000, -0.0003406100000000, -0.0002693600000000 ] - [ -0.0002552700000000, -0.0000083500000000, -0.0000961800000000 ] - [ 0.0003099300000000, -0.0001500700000000, 0.0013793500000000 ] - [ 0.0014710900000000, 0.0012278700000000, -0.0076721800000000 ] - [ 0.0001314700000000, -0.0005156800000000, 0.0001595000000000 ] - [ -0.0022545000000000, 0.0004471000000000, -0.0002585700000000 ] - [ 0.0002754300000000, -0.0002621900000000, -0.0000649500000000 ] - [ 0.0001182300000000, 0.0000000500000000, 0.0001284300000000 ] - [ -0.0082844100000000, -0.0113646900000000, -0.0030705000000000 ] - [ -0.0109361500000000, -0.0043451300000000, 0.0016536400000000 ] - [ -0.0000233300000000, 0.0000659000000000, 0.0003072000000000 ] - [ -0.0003497400000000, -0.0000119200000000, 0.0002416100000000 ] - [ -0.0000398800000000, 0.0000921700000000, 0.0002688200000000 ] - [ 0.0000448600000000, 0.0001041300000000, -0.0004693500000000 ] - [ 0.0000695000000000, -0.0002025600000000, 0.0001930700000000 ] - [ 0.0000779300000000, -0.0001428800000000, 0.0001458200000000 ] - [ 0.0000836700000000, -0.0000128800000000, 0.0004499700000000 ] - [ 0.0001701600000000, 0.0004193100000000, 0.0002136400000000 ] - [ 0.0015146700000000, 0.0022227700000000, 0.0029395200000000 ] - [ 0.0000845000000000, 0.0001667900000000, -0.0000074600000000 ] - [ 0.0001463300000000, 0.0001343300000000, -0.0000403500000000 ] - [ -0.0001662100000000, 0.0000353600000000, -0.0000338000000000 ] - [ 0.0001082800000000, 0.0000715800000000, -0.0002252800000000 ] - [ 0.0000110500000000, -0.0000335200000000, -0.0003789400000000 ] - [ -0.0000591700000000, 0.0003917400000000, 0.0002027500000000 ] - [ -0.0001842600000000, 0.0004815100000000, 0.0003684200000000 ] - [ 0.0009789800000000, -0.0004626000000000, 0.0004036800000000 ] - [ -0.0008024100000000, -0.0000187100000000, -0.0004908000000000 ] - [ 0.0001298700000000, -0.0001783700000000, -0.0006312600000000 ] - [ 0.0003773200000000, -0.0001457900000000, 0.0003044600000000 ] - [ 0.0001503300000000, 0.0000646900000000, -0.0000269700000000 ] - [ 0.0004372500000000, 0.0007226900000000, -0.0004534700000000 ] - [ -0.0001076200000000, -0.0000138900000000, 0.0001399600000000 ] - [ -0.0001804200000000, 0.0002528000000000, -0.0002146900000000 ] - [ 0.0017819500000000, -0.0002924000000000, 0.0009880300000000 ] - [ 0.0000364700000000, -0.0001529100000000, -0.0001303500000000 ] - [ -0.0000288800000000, -0.0001217500000000, -0.0001591100000000 ] - [ -0.0000521900000000, 0.0001405400000000, -0.0002374400000000 ] - [ -0.0027592700000000, 0.0004014900000000, 0.0022231600000000 ] - [ -0.0000855600000000, -0.0000168300000000, -0.0000213000000000 ] - [ -0.0001763400000000, -0.0001859500000000, -0.0010477300000000 ] - [ -0.0000335400000000, 0.0002033500000000, -0.0010500700000000 ] - [ 0.0007814100000000, -0.0001365000000000, 0.0000352000000000 ] - [ 0.0000007100000000, 0.0000105900000000, 0.0008616100000000 ] - [ -0.0002649400000000, 0.0000586100000000, -0.0001696400000000 ] - [ 0.0000617500000000, 0.0000739100000000, 0.0001383100000000 ] - [ -0.0002639400000000, 0.0002653100000000, -0.0002030500000000 ] - [ -0.0000754100000000, 0.0001154700000000, -0.0000322600000000 ] - [ 0.0001677700000000, -0.0001350200000000, 0.0012151400000000 ] - [ -0.0010964100000000, -0.0011386100000000, 0.0016940000000000 ] - [ -0.0001940700000000, 0.0000713400000000, -0.0002864100000000 ] - [ 0.0007095400000000, -0.0002855900000000, 0.0002482700000000 ] - [ 0.0000368200000000, 0.0000309000000000, -0.0002646600000000 ] - [ 0.0000017400000000, -0.0000954200000000, -0.0000249600000000 ] - [ 0.0026890800000000, 0.0024238500000000, 0.0006167300000000 ] - [ -0.0005935600000000, 0.0000354200000000, -0.0005804800000000 ] - [ -0.0026321100000000, -0.0002406400000000, -0.0001186400000000 ] - [ -0.0000127000000000, 0.0001056800000000, 0.0002421800000000 ] - [ 0.0007764800000000, -0.0007277700000000, -0.0003699000000000 ] - [ 0.0001425600000000, -0.0000572600000000, -0.0002256300000000 ] - [ -0.0002163300000000, -0.0001573700000000, 0.0004216600000000 ] - [ 0.0002558800000000, -0.0008925100000000, 0.0002004800000000 ] - [ -0.0000965100000000, 0.0001244900000000, -0.0001596200000000 ] - [ 0.0019561400000000, 0.0008579500000000, -0.0013695100000000 ] - [ 0.0001299100000000, 0.0000062000000000, -0.0001552900000000 ] - [ -0.0001208300000000, 0.0041482800000000, -0.0001104400000000 ] - [ -0.0000341400000000, -0.0000975600000000, -0.0001856300000000 ] - [ -0.0019328700000000, 0.0003830900000000, 0.0014350600000000 ] - [ -0.0022482500000000, -0.0019309700000000, -0.0013380700000000 ] - [ 0.0001423200000000, 0.0001834100000000, 0.0009262300000000 ] - [ 0.0002181400000000, -0.0005231800000000, -0.0006373500000000 ] - [ -0.0001713800000000, -0.0013994400000000, 0.0004623500000000 ] - [ 0.0002370300000000, -0.0001562800000000, 0.0000555400000000 ] - [ 0.0003294300000000, -0.0001752100000000, 0.0002389000000000 ] - [ -0.0009690600000000, -0.0012986700000000, 0.0002977400000000 ] - [ -0.0000178900000000, -0.0003327700000000, 0.0000864400000000 ] - [ 0.0007523700000000, 0.0002370300000000, -0.0003469000000000 ] - [ 0.0001836800000000, -0.0000944100000000, -0.0003491800000000 ] - [ 0.0000455700000000, 0.0000621100000000, 0.0000289700000000 ] - [ 0.0002496100000000, 0.0002385900000000, -0.0001941100000000 ] - [ -0.0000113100000000, 0.0000071200000000, 0.0008247000000000 ] - [ 0.0004095700000000, -0.0006740100000000, -0.0004841700000000 ] - [ 0.0003847500000000, 0.0007407500000000, -0.0005001200000000 ] - [ 0.0001782000000000, -0.0000737200000000, -0.0001261000000000 ] - [ 0.0001422800000000, 0.0003695800000000, -0.0006566200000000 ] - [ -0.0008667200000000, 0.0000333700000000, -0.0004575800000000 ] - [ 0.0000570500000000, -0.0001833600000000, -0.0002545100000000 ] - [ 0.0003930200000000, -0.0007157200000000, -0.0004407300000000 ] - [ -0.0046546100000000, 0.0017131900000000, 0.0020747300000000 ] - [ -0.0004322300000000, -0.0009156600000000, -0.0012059400000000 ] - [ 0.0027718000000000, 0.0001329400000000, 0.0002098500000000 ] - [ 0.0008919200000000, -0.0003389700000000, -0.0001570300000000 ] - [ 0.0000322000000000, -0.0000824000000000, -0.0000254600000000 ] - [ 0.0007674600000000, -0.0002819100000000, -0.0003994700000000 ] - [ -0.0000842300000000, 0.0002051500000000, 0.0002539800000000 ] - [ 0.0040717900000000, 0.0018679600000000, -0.0001273300000000 ] - [ -0.0005916400000000, -0.0000612000000000, 0.0001434200000000 ] - [ -0.0002642500000000, 0.0000605600000000, 0.0002949500000000 ] - [ 0.0000001000000000, -0.0002217000000000, 0.0002836400000000 ] - [ -0.0000061100000000, -0.0000460700000000, 0.0000018600000000 ] - [ 0.0008409100000000, -0.0004152800000000, 0.0000227100000000 ] - [ -0.0004202500000000, 0.0000669400000000, -0.0003634800000000 ] - [ -0.0003502600000000, 0.0004245200000000, 0.0001034200000000 ] - [ -0.0000279700000000, -0.0000271000000000, -0.0000577500000000 ] - [ 0.0003177600000000, -0.0000428900000000, 0.0001374600000000 ] - [ -0.0000359600000000, 0.0000107700000000, 0.0000453500000000 ] - [ 0.0010758500000000, -0.0001595700000000, 0.0001955100000000 ] - [ 0.0000524700000000, 0.0000270800000000, -0.0000201100000000 ] - [ 0.0000995700000000, -0.0000213000000000, -0.0004172400000000 ] - [ -0.0000521900000000, 0.0000135800000000, -0.0000135400000000 ] - [ 0.0000651600000000, 0.0000074500000000, 0.0000718600000000 ] - [ -0.0000158800000000, 0.0000547500000000, -0.0003681000000000 ] - [ -0.0032132600000000, -0.0011134800000000, -0.0005750800000000 ] - [ -0.0000635200000000, -0.0000294600000000, -0.0001671600000000 ] - [ 0.0000365300000000, 0.0004438900000000, 0.0001056700000000 ] - [ -0.0000748300000000, -0.0000168500000000, 0.0001027000000000 ] - [ -0.0054351400000000, 0.0024939800000000, -0.0021475700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006701900000000, -0.0000742600000000, 0.0000023700000000 ] - [ -0.0002702800000000, 0.0004681400000000, 0.0007586800000000 ] - [ 0.0005103000000000, -0.0008838700000000, 0.0002399100000000 ] - [ 0.0000544300000000, -0.0000821800000000, 0.0003812100000000 ] - [ -0.0006248300000000, 0.0010822300000000, 0.0000396100000000 ] - [ -0.0000654800000000, 0.0000863200000000, 0.0003957200000000 ] - [ 0.0005523900000000, -0.0000769200000000, 0.0005945500000000 ] - [ 0.0002637400000000, -0.0005410900000000, -0.0003918500000000 ] - [ -0.0032553900000000, 0.0056385000000000, -0.0284168200000000 ] - [ -0.0000975700000000, 0.0001872600000000, 0.0001903600000000 ] - [ -0.0000399500000000, 0.0000307200000000, 0.0004026400000000 ] - [ -0.0000096900000000, -0.0001832200000000, -0.0003447600000000 ] - [ -0.0000948000000000, -0.0002073400000000, 0.0000626300000000 ] - [ -0.0000112600000000, -0.0003595400000000, -0.0023706500000000 ] - [ 0.0001635200000000, -0.0000832100000000, -0.0003447600000000 ] - [ 0.0000166800000000, -0.0001516000000000, 0.0004044700000000 ] - [ 0.0001229500000000, -0.0000902400000000, 0.0004044700000000 ] - [ 0.0004346800000000, 0.0002136300000000, 0.0008579500000000 ] - [ 0.0000062100000000, 0.0001276600000000, 0.0004126600000000 ] - [ -0.0000691400000000, 0.0002303600000000, 0.0000780100000000 ] - [ -0.0000420200000000, 0.0000998700000000, 0.0003957200000000 ] - [ 0.0001454500000000, 0.0000645400000000, 0.0004872900000000 ] - [ 0.0035278300000000, -0.0001207600000000, 0.0031303600000000 ] - [ 0.0000304300000000, 0.0005645900000000, -0.0001798300000000 ] - [ 0.0001146100000000, 0.0000009600000000, 0.0006506700000000 ] - [ -0.0000819600000000, -0.0001531700000000, 0.0001743900000000 ] - [ -0.0000412600000000, 0.0000714700000000, 0.0002466400000000 ] - [ -0.0002311900000000, -0.0000718300000000, -0.0015729800000000 ] - [ 0.0002074600000000, 0.0001550500000000, -0.0000745000000000 ] - [ -0.0000171200000000, 0.0001056000000000, -0.0003639100000000 ] - [ 0.0003674100000000, 0.0000002100000000, 0.0002150400000000 ] - [ 0.0003367300000000, -0.0004989500000000, -0.0003918500000000 ] - [ 0.0001778000000000, 0.0001643000000000, -0.0015729800000000 ] - [ 0.0003170000000000, -0.0001700200000000, -0.0023706500000000 ] - [ 0.0021657000000000, 0.0032742900000000, 0.0029013800000000 ] - [ -0.0004023500000000, -0.0002696300000000, 0.0008579500000000 ] - [ -0.0002394600000000, 0.0004147600000000, 0.0012567200000000 ] - [ -0.0005589400000000, -0.0002453300000000, -0.0003138000000000 ] - [ -0.0001838800000000, -0.0003180800000000, 0.0002150400000000 ] - [ -0.0000904200000000, -0.0001525900000000, -0.0005733000000000 ] - [ 0.0001736300000000, -0.0000056000000000, 0.0001743900000000 ] - [ 0.0000439600000000, -0.0000882300000000, 0.0003812100000000 ] - [ -0.0000873000000000, -0.0001113600000000, 0.0001747000000000 ] - [ -0.0001133800000000, 0.0001781300000000, 0.0001903600000000 ] - [ 0.0000221100000000, -0.0000890800000000, 0.0004858300000000 ] - [ -0.0016593300000000, -0.0031155700000000, 0.0031303600000000 ] - [ -0.0001649300000000, 0.0001750600000000, 0.0000780100000000 ] - [ -0.0001286200000000, -0.0000937000000000, 0.0004872900000000 ] - [ -0.0001136600000000, 0.0000584500000000, 0.0004126600000000 ] - [ 0.0001400900000000, 0.0000199200000000, 0.0001747000000000 ] - [ -0.0000828900000000, 0.0000676200000000, -0.0003639100000000 ] - [ 0.0003994100000000, 0.0005432700000000, 0.0000023700000000 ] - [ -0.0000066300000000, 0.0000499600000000, 0.0004026400000000 ] - [ 0.0004919300000000, 0.0003613900000000, -0.0003138000000000 ] - [ -0.0005041600000000, 0.0002559400000000, -0.0001798300000000 ] - [ 0.0000661000000000, -0.0000636900000000, 0.0004858300000000 ] - [ -0.0002095800000000, -0.0005168400000000, 0.0005945500000000 ] - [ -0.0002380000000000, -0.0001021400000000, -0.0000745000000000 ] - [ -0.0000581400000000, -0.0000987800000000, 0.0006506700000000 ] - [ -0.0000545600000000, 0.0000945000000000, 0.0008058700000000 ] - [ 0.0002269700000000, -0.0000215700000000, 0.0000626300000000 ] - [ -0.0039184700000000, -0.0002384100000000, 0.0029013800000000 ] - [ 0.0001773500000000, 0.0000020100000000, -0.0005733000000000 ] - [ -0.0063014600000000, 0.0109144600000000, 0.0053003600000000 ] - [ 0.0002223200000000, -0.0003850700000000, 0.0024033600000000 ] - [ 0.0005205900000000, 0.0005657100000000, 0.0011145100000000 ] - [ 0.0001055600000000, 0.0000350300000000, 0.0006152200000000 ] - [ 0.0002488200000000, 0.0002303000000000, 0.0009806900000000 ] - [ -0.0000831100000000, -0.0000739000000000, 0.0006152200000000 ] - [ 0.0000281200000000, -0.0000487000000000, -0.0015064300000000 ] - [ 0.0000010100000000, -0.0000017600000000, 0.0005700100000000 ] - [ -0.0009843200000000, 0.0003050500000000, -0.0014914600000000 ] - [ 0.0002279800000000, 0.0010049700000000, -0.0014914600000000 ] - [ -0.0003238500000000, -0.0001003400000000, 0.0009806900000000 ] - [ -0.0007502100000000, -0.0001679900000000, 0.0011145100000000 ] - [ 0.0060637200000000, -0.0105026700000000, 0.0024022500000000 ] - [ -0.0006215300000000, -0.0009988500000000, 0.0000888900000000 ] - [ 0.0011758000000000, 0.0000388300000000, 0.0000888900000000 ] - [ 0.0000505400000000, -0.0000875400000000, 0.0012450800000000 ] - [ 0.0002397100000000, 0.0003591900000000, 0.0007329200000000 ] - [ -0.0004731800000000, -0.0012940500000000, -0.0049866100000000 ] - [ 0.0013572700000000, -0.0002372400000000, -0.0049866100000000 ] - [ -0.0000111700000000, 0.0000193400000000, 0.0014115500000000 ] - [ -0.0004309200000000, -0.0000280000000000, 0.0007329200000000 ] - [ -0.0003762100000000, -0.0001744200000000, -0.0003196000000000 ] - [ 0.0003391600000000, 0.0002386000000000, -0.0003196000000000 ] - [ 0.0000716300000000, -0.0001240600000000, 0.0001226800000000 ] - [ 0.0000086800000000, -0.0000150300000000, -0.0002503900000000 ] - [ 0.0004016900000000, 0.0005551700000000, -0.0003768500000000 ] - [ 0.0006562900000000, 0.0001655600000000, 0.0004841000000000 ] - [ -0.0006913100000000, -0.0000177600000000, 0.0033925200000000 ] - [ -0.0001943900000000, -0.0001422700000000, -0.0007472800000000 ] - [ 0.0001151800000000, 0.0002382100000000, -0.0004159800000000 ] - [ -0.0002638800000000, 0.0000193500000000, -0.0004159800000000 ] - [ 0.0002199600000000, 0.0002397100000000, -0.0006540300000000 ] - [ 0.0000055700000000, -0.0000096400000000, -0.0010538800000000 ] - [ -0.0000155500000000, -0.0001984800000000, 0.0010793200000000 ] - [ -0.0002679700000000, 0.0006361800000000, 0.0004684700000000 ] - [ 0.0007616300000000, 0.0000326100000000, 0.0011447400000000 ] - [ -0.0009118700000000, -0.0000134900000000, -0.0008298900000000 ] - [ 0.0003492900000000, -0.0002691700000000, -0.0006740300000000 ] - [ -0.0002755900000000, -0.0000713500000000, -0.0000757400000000 ] - [ -0.0005771100000000, -0.0000751700000000, -0.0007035400000000 ] - [ 0.0004676200000000, 0.0007829600000000, -0.0008298900000000 ] - [ 0.0000159600000000, 0.0000039500000000, -0.0002378000000000 ] - [ -0.0002673500000000, -0.0007557700000000, 0.0000909300000000 ] - [ -0.0007169100000000, 0.0002669400000000, 0.0001910600000000 ] - [ 0.0000428800000000, -0.0000742600000000, -0.0002818200000000 ] - [ -0.0000881300000000, -0.0001207500000000, -0.0008701000000000 ] - [ 0.0000576600000000, 0.0001998300000000, -0.0006871900000000 ] - [ -0.0004671400000000, 0.0008091100000000, 0.0029514800000000 ] - [ 0.0000952100000000, -0.0001649100000000, -0.0008430300000000 ] - [ 0.0011164800000000, -0.0019338000000000, -0.0033993000000000 ] - [ 0.0004555300000000, 0.0002109800000000, -0.0006083900000000 ] - [ -0.0004169600000000, 0.0005501600000000, 0.0004684700000000 ] - [ 0.0000036500000000, 0.0000057500000000, 0.0000500200000000 ] - [ -0.0003975800000000, -0.0000447800000000, -0.0004115000000000 ] - [ -0.0000114000000000, -0.0000118400000000, -0.0002378000000000 ] - [ -0.0002207300000000, -0.0001446600000000, 0.0001067700000000 ] - [ 0.0000584600000000, -0.0004370800000000, -0.0006740300000000 ] - [ -0.0028117400000000, 0.0011293200000000, -0.0006277000000000 ] - [ 0.0004278500000000, 0.0029997000000000, -0.0006277000000000 ] - [ -0.0002018900000000, 0.0000499800000000, -0.0006871900000000 ] - [ -0.0004715300000000, -0.0004855800000000, 0.0004841000000000 ] - [ -0.0000331600000000, -0.0001897700000000, -0.0006122300000000 ] - [ 0.0002017300000000, -0.0003494000000000, -0.0006015100000000 ] - [ -0.0005485200000000, -0.0000908900000000, 0.0009717500000000 ] - [ 0.0002204000000000, 0.0000972100000000, -0.0007472800000000 ] - [ 0.0014141700000000, -0.0024494200000000, 0.0029343900000000 ] - [ 0.0000693700000000, 0.0001289700000000, -0.0000032900000000 ] - [ 0.0003523600000000, -0.0003304200000000, 0.0001140700000000 ] - [ 0.0001857500000000, -0.0001322200000000, -0.0005988000000000 ] - [ -0.0006816400000000, -0.0000702900000000, -0.0003768500000000 ] - [ -0.0004052100000000, 0.0007018500000000, 0.0014201900000000 ] - [ -0.0000592000000000, 0.0001025400000000, -0.0010206100000000 ] - [ 0.0003610400000000, 0.0005898100000000, 0.0033925200000000 ] - [ 0.0001486400000000, 0.0000159500000000, -0.0008701000000000 ] - [ 0.0004350200000000, 0.0002861400000000, 0.0013602000000000 ] - [ -0.0003175800000000, -0.0000706400000000, -0.0006540300000000 ] - [ -0.0025400000000000, 0.0043994100000000, -0.0032585200000000 ] - [ 0.0002238500000000, 0.0007967700000000, 0.0036573100000000 ] - [ -0.0004104800000000, -0.0002890100000000, -0.0006083900000000 ] - [ -0.0000519400000000, 0.0000899600000000, 0.0008861400000000 ] - [ -0.0004090600000000, -0.0006432900000000, 0.0011447400000000 ] - [ -0.0000069700000000, 0.0001114100000000, -0.0002912500000000 ] - [ 0.0003350100000000, -0.0002353000000000, 0.0000353500000000 ] - [ -0.0000027900000000, -0.0041572500000000, 0.0004434800000000 ] - [ -0.0000930000000000, 0.0000617400000000, -0.0002912500000000 ] - [ 0.0002356500000000, 0.0001188300000000, 0.0001067700000000 ] - [ 0.0001809200000000, -0.0000661700000000, -0.0006122300000000 ] - [ 0.0001995800000000, 0.0002029900000000, -0.0000757400000000 ] - [ 0.0002375700000000, 0.0003219300000000, -0.0004115000000000 ] - [ -0.0000068000000000, -0.0000002900000000, 0.0000500200000000 ] - [ 0.0005259100000000, -0.0007907600000000, -0.0008512400000000 ] - [ 0.0005091400000000, 0.0008906300000000, -0.0008939600000000 ] - [ 0.0001099700000000, -0.0004703600000000, 0.0001140700000000 ] - [ 0.0003536500000000, 0.0004622100000000, -0.0007035400000000 ] - [ -0.0010258800000000, 0.0000043900000000, -0.0008939600000000 ] - [ 0.0000216300000000, -0.0002269700000000, -0.0005988000000000 ] - [ 0.0004218600000000, -0.0008508300000000, -0.0008512400000000 ] - [ -0.0008019500000000, 0.0002045300000000, 0.0036573100000000 ] - [ 0.0036016800000000, -0.0020762100000000, 0.0004434800000000 ] - [ -0.0004653100000000, -0.0002336700000000, 0.0013602000000000 ] - [ 0.0001796700000000, -0.0000857800000000, 0.0010793200000000 ] - [ 0.0000064400000000, -0.0000111600000000, -0.0006891100000000 ] - [ 0.0007881900000000, -0.0001463600000000, 0.0000909300000000 ] - [ -0.0001463700000000, 0.0000044000000000, -0.0000032900000000 ] - [ 0.0003529700000000, 0.0004295900000000, 0.0009717500000000 ] - [ 0.0001272800000000, 0.0007543300000000, 0.0001910600000000 ] - [ -0.0002762500000000, 0.0004784800000000, -0.0019324100000000 ] - [ 0.0000362700000000, -0.0004077800000000, 0.0000353500000000 ] - [ 0.0000176100000000, -0.0000305000000000, -0.0004613900000000 ] - [ 0.0002565500000000, -0.0001127000000000, 0.0006902100000000 ] - [ 0.0003131200000000, -0.0005423500000000, -0.0009951600000000 ] - [ -0.0001137300000000, 0.0002584400000000, 0.0006711700000000 ] - [ 0.0000373600000000, -0.0000647100000000, -0.0005698600000000 ] - [ -0.0002201600000000, 0.0000249000000000, -0.0000576500000000 ] - [ 0.0000044100000000, 0.0000447900000000, -0.0002484700000000 ] - [ -0.0001669500000000, 0.0002277100000000, 0.0006711700000000 ] - [ 0.0000233800000000, 0.0000312600000000, -0.0003506200000000 ] - [ 0.0000331800000000, -0.0000152800000000, -0.0006395300000000 ] - [ -0.0000387600000000, -0.0000046200000000, -0.0003506200000000 ] - [ -0.0000409900000000, 0.0000185700000000, -0.0002484700000000 ] - [ -0.0000033500000000, -0.0000363800000000, -0.0006395300000000 ] - [ 0.0008988300000000, -0.0015568200000000, 0.0034426800000000 ] - [ -0.0000637800000000, 0.0001104700000000, -0.0010169900000000 ] - [ -0.0000306800000000, -0.0002785300000000, 0.0006902100000000 ] - [ 0.0000885200000000, 0.0002031200000000, -0.0000576500000000 ] - [ 0.0023450000000000, -0.0040616600000000, 0.0077883100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007163200000000, 0.0004915400000000, 0.0004228000000000 ] - [ 0.0001417100000000, -0.0002454400000000, -0.0004156100000000 ] - [ -0.0005673500000000, 0.0009826700000000, 0.0000318900000000 ] - [ -0.0000258700000000, -0.0002019600000000, -0.0001300000000000 ] - [ 0.0003711200000000, -0.0006428000000000, -0.0004755000000000 ] - [ -0.0001548200000000, -0.0004789400000000, -0.0004050100000000 ] - [ -0.0001062600000000, 0.0000806000000000, -0.0006044100000000 ] - [ -0.0005240000000000, 0.0001001100000000, -0.0000442700000000 ] - [ 0.0029934500000000, -0.0051848100000000, 0.0280213700000000 ] - [ -0.0001351000000000, 0.0002019900000000, -0.0002009500000000 ] - [ 0.0000663400000000, 0.0002604900000000, -0.0001542700000000 ] - [ -0.0001193600000000, -0.0002466000000000, 0.0000994600000000 ] - [ -0.0000921500000000, -0.0002128300000000, -0.0006566000000000 ] - [ 0.0000390700000000, 0.0002186600000000, 0.0028664100000000 ] - [ 0.0002732400000000, -0.0000199300000000, 0.0000994600000000 ] - [ -0.0001467600000000, -0.0000591200000000, -0.0000615000000000 ] - [ 0.0001245800000000, 0.0000975400000000, -0.0000615000000000 ] - [ -0.0001961000000000, -0.0000587300000000, -0.0006052900000000 ] - [ -0.0000379900000000, 0.0001635600000000, -0.0002981000000000 ] - [ -0.0001159600000000, 0.0002013800000000, -0.0006721500000000 ] - [ 0.0004921900000000, -0.0001053900000000, -0.0004050100000000 ] - [ 0.0001273500000000, 0.0000578400000000, -0.0003761500000000 ] - [ -0.0034410200000000, -0.0003077600000000, -0.0026806500000000 ] - [ 0.0000910900000000, -0.0005582800000000, 0.0004507700000000 ] - [ 0.0001628300000000, 0.0000028300000000, -0.0000578500000000 ] - [ -0.0001825600000000, -0.0002282600000000, -0.0007700800000000 ] - [ -0.0000753100000000, 0.0001304400000000, -0.0005833000000000 ] - [ 0.0000833000000000, 0.0000039700000000, 0.0020682500000000 ] - [ 0.0001342600000000, 0.0001032000000000, 0.0004994200000000 ] - [ 0.0000371300000000, 0.0000587300000000, 0.0008585700000000 ] - [ 0.0003838100000000, -0.0000061700000000, -0.0001738500000000 ] - [ 0.0001753000000000, 0.0005038500000000, -0.0000442700000000 ] - [ -0.0000450900000000, -0.0000701500000000, 0.0020682500000000 ] - [ -0.0002089000000000, 0.0000754900000000, 0.0028664100000000 ] - [ -0.0017439400000000, -0.0032118600000000, -0.0031735100000000 ] - [ 0.0001489100000000, 0.0001404600000000, -0.0006052900000000 ] - [ -0.0001342900000000, 0.0002326000000000, -0.0012204400000000 ] - [ 0.0004363800000000, 0.0006737700000000, 0.0000648000000000 ] - [ -0.0001865600000000, -0.0003354700000000, -0.0001738500000000 ] - [ -0.0000517900000000, -0.0000815800000000, 0.0006869000000000 ] - [ 0.0002889600000000, 0.0000439700000000, -0.0007700800000000 ] - [ 0.0001878400000000, -0.0000785700000000, -0.0001300000000000 ] - [ -0.0000298300000000, -0.0000830300000000, -0.0005150600000000 ] - [ -0.0001073700000000, 0.0002180000000000, -0.0002009500000000 ] - [ -0.0000547300000000, -0.0002059200000000, -0.0003761300000000 ] - [ 0.0019870400000000, 0.0028261300000000, -0.0026806500000000 ] - [ -0.0001164200000000, 0.0002011100000000, -0.0006721500000000 ] - [ -0.0001137700000000, -0.0000813700000000, -0.0003761500000000 ] - [ -0.0001226500000000, 0.0001146800000000, -0.0002981000000000 ] - [ 0.0000868200000000, -0.0000156800000000, -0.0005150600000000 ] - [ -0.0000694200000000, -0.0000028000000000, 0.0008585700000000 ] - [ -0.0007838500000000, -0.0003745900000000, 0.0004228000000000 ] - [ -0.0002587600000000, 0.0000727900000000, -0.0001542700000000 ] - [ -0.0008016900000000, -0.0000410200000000, 0.0000648000000000 ] - [ 0.0004379400000000, -0.0003580300000000, 0.0004507700000000 ] - [ 0.0002057000000000, -0.0000555600000000, -0.0003761300000000 ] - [ -0.0000166700000000, 0.0001323200000000, -0.0006044100000000 ] - [ -0.0001565100000000, -0.0000646700000000, 0.0004994200000000 ] - [ -0.0000838700000000, -0.0001396000000000, -0.0000578500000000 ] - [ -0.0000841300000000, 0.0001457100000000, -0.0002117700000000 ] - [ 0.0002304000000000, -0.0000266100000000, -0.0006566000000000 ] - [ 0.0036535200000000, -0.0000956300000000, -0.0031735100000000 ] - [ 0.0000965400000000, 0.0000040600000000, 0.0006869000000000 ] - [ 0.0063383900000000, -0.0109784100000000, -0.0046608300000000 ] - [ -0.0002882900000000, 0.0004993400000000, -0.0021684000000000 ] - [ -0.0005197500000000, -0.0005667900000000, -0.0009517700000000 ] - [ -0.0001049300000000, -0.0000344300000000, -0.0016154300000000 ] - [ 0.0000316700000000, 0.0002576000000000, -0.0010864600000000 ] - [ 0.0000822800000000, 0.0000736500000000, -0.0016154300000000 ] - [ -0.0000312600000000, 0.0000541500000000, 0.0024174300000000 ] - [ -0.0000012800000000, 0.0000022200000000, -0.0012384600000000 ] - [ 0.0012226500000000, 0.0001052900000000, 0.0010329900000000 ] - [ -0.0007025100000000, -0.0010062000000000, 0.0010329900000000 ] - [ -0.0002389200000000, 0.0001013800000000, -0.0010864600000000 ] - [ 0.0007507300000000, 0.0001667300000000, -0.0009517700000000 ] - [ -0.0058997200000000, 0.0102186200000000, -0.0028090300000000 ] - [ 0.0005100600000000, 0.0009987100000000, 0.0005027400000000 ] - [ -0.0011199400000000, 0.0000576300000000, 0.0005027400000000 ] - [ 0.0002324300000000, -0.0004025900000000, -0.0013522900000000 ] - [ -0.0001039600000000, -0.0003589100000000, -0.0005035300000000 ] - [ 0.0004492300000000, 0.0012572200000000, 0.0043748800000000 ] - [ -0.0013134000000000, 0.0002395700000000, 0.0043748800000000 ] - [ 0.0000104300000000, -0.0000180700000000, -0.0007276500000000 ] - [ 0.0003628100000000, -0.0000894200000000, -0.0005035300000000 ] - [ 0.0003755200000000, 0.0001718600000000, 0.0000800300000000 ] - [ -0.0003366000000000, -0.0002392800000000, 0.0000800300000000 ] - [ -0.0000723400000000, 0.0001252900000000, 0.0002061000000000 ] - [ 0.0001086400000000, -0.0001881700000000, 0.0005170700000000 ] - [ 0.0000236200000000, -0.0003796200000000, 0.0009431200000000 ] - [ -0.0000168800000000, -0.0001681500000000, -0.0000736900000000 ] - [ 0.0006903300000000, 0.0000189000000000, -0.0023444400000000 ] - [ 0.0003902100000000, 0.0004118900000000, 0.0000979900000000 ] - [ 0.0000334500000000, 0.0000268000000000, 0.0003132600000000 ] - [ -0.0000399300000000, -0.0000155700000000, 0.0003132600000000 ] - [ 0.0000415100000000, -0.0000932600000000, 0.0001462300000000 ] - [ -0.0000048100000000, 0.0000083200000000, 0.0002710700000000 ] - [ 0.0001045000000000, 0.0001954000000000, -0.0006393400000000 ] - [ -0.0002304900000000, -0.0002500500000000, -0.0001100700000000 ] - [ 0.0003490400000000, -0.0000311700000000, -0.0003578500000000 ] - [ -0.0007489600000000, -0.0000378500000000, -0.0001189100000000 ] - [ -0.0001543300000000, 0.0000001500000000, 0.0000234100000000 ] - [ 0.0001877300000000, -0.0000882600000000, -0.0001295900000000 ] - [ 0.0002443400000000, 0.0001106600000000, 0.0000519000000000 ] - [ 0.0004072600000000, 0.0006297000000000, -0.0001189100000000 ] - [ -0.0002493400000000, -0.0000028500000000, 0.0005035800000000 ] - [ 0.0005528900000000, 0.0012166900000000, -0.0003351300000000 ] - [ 0.0012935700000000, -0.0000240700000000, 0.0001686600000000 ] - [ -0.0001632000000000, 0.0002826700000000, 0.0002860800000000 ] - [ -0.0000484300000000, -0.0001088600000000, 0.0005037000000000 ] - [ -0.0000652600000000, 0.0001020500000000, 0.0001779400000000 ] - [ 0.0004000600000000, -0.0006929300000000, -0.0025712000000000 ] - [ 0.0001315300000000, -0.0002278100000000, 0.0005261600000000 ] - [ -0.0012063900000000, 0.0020895300000000, 0.0031883500000000 ] - [ -0.0004592200000000, -0.0002107600000000, 0.0005744600000000 ] - [ 0.0003318000000000, 0.0000745900000000, -0.0001100700000000 ] - [ -0.0000024600000000, -0.0000078300000000, 0.0015851700000000 ] - [ -0.0000572000000000, 0.0000466700000000, 0.0000952600000000 ] - [ 0.0001271300000000, 0.0002145100000000, 0.0005035800000000 ] - [ 0.0000129800000000, 0.0001403600000000, -0.0004338900000000 ] - [ 0.0000770300000000, 0.0001337300000000, 0.0000234100000000 ] - [ 0.0022967500000000, -0.0011301800000000, 0.0003739500000000 ] - [ -0.0001696100000000, -0.0025541400000000, 0.0003739500000000 ] - [ -0.0000557500000000, 0.0001075400000000, 0.0001779400000000 ] - [ 0.0001540700000000, -0.0000694600000000, -0.0000736900000000 ] - [ 0.0001564500000000, 0.0001920400000000, 0.0001096400000000 ] - [ -0.0000524700000000, 0.0000908800000000, 0.0005002800000000 ] - [ 0.0004547600000000, -0.0000633800000000, -0.0006613500000000 ] - [ -0.0005518100000000, -0.0001319900000000, 0.0000979900000000 ] - [ -0.0018121400000000, 0.0031387200000000, -0.0021445800000000 ] - [ -0.0004403900000000, 0.0001544900000000, 0.0005729300000000 ] - [ -0.0000955000000000, -0.0001456000000000, -0.0003567400000000 ] - [ 0.0000784000000000, -0.0000111800000000, 0.0000892800000000 ] - [ 0.0003169500000000, -0.0002102600000000, 0.0009431200000000 ] - [ -0.0001483700000000, 0.0002569900000000, -0.0006343200000000 ] - [ -0.0000762600000000, 0.0001320900000000, 0.0006577100000000 ] - [ -0.0003615300000000, -0.0005883900000000, -0.0023444400000000 ] - [ 0.0001185000000000, -0.0000124900000000, 0.0005037000000000 ] - [ -0.0005150000000000, -0.0001236700000000, -0.0010534000000000 ] - [ 0.0000600100000000, -0.0000825800000000, 0.0001462300000000 ] - [ 0.0026753100000000, -0.0046337800000000, 0.0029333100000000 ] - [ -0.0000569700000000, -0.0007876500000000, -0.0033342900000000 ] - [ 0.0004121300000000, 0.0002923200000000, 0.0005744600000000 ] - [ 0.0000517300000000, -0.0000896000000000, -0.0017748300000000 ] - [ -0.0001475300000000, -0.0003178600000000, -0.0003578500000000 ] - [ 0.0002457900000000, -0.0001120600000000, 0.0002956400000000 ] - [ 0.0000892100000000, 0.0000588100000000, 0.0005332800000000 ] - [ -0.0000818200000000, 0.0035047600000000, -0.0000855100000000 ] - [ -0.0000258500000000, -0.0002688900000000, 0.0002956400000000 ] - [ -0.0001280400000000, 0.0000589400000000, -0.0004338900000000 ] - [ -0.0002445300000000, -0.0000394700000000, 0.0001096400000000 ] - [ -0.0000174200000000, -0.0002067100000000, -0.0001295900000000 ] - [ -0.0000118200000000, 0.0000728700000000, 0.0000952600000000 ] - [ 0.0000080100000000, -0.0000017900000000, 0.0015851700000000 ] - [ 0.0003479100000000, -0.0006259700000000, -0.0000978300000000 ] - [ 0.0002812100000000, 0.0005696200000000, -0.0000554000000000 ] - [ 0.0001738400000000, 0.0000099100000000, -0.0003567400000000 ] - [ -0.0002180000000000, -0.0001562800000000, 0.0000519000000000 ] - [ -0.0006339100000000, 0.0000412700000000, -0.0000554000000000 ] - [ -0.0000295200000000, -0.0000734800000000, 0.0000892800000000 ] - [ 0.0003681500000000, -0.0006142800000000, -0.0000978300000000 ] - [ 0.0007106100000000, -0.0003444900000000, -0.0033342900000000 ] - [ -0.0029943000000000, 0.0018232400000000, -0.0000855100000000 ] - [ 0.0003646100000000, 0.0003841700000000, -0.0010534000000000 ] - [ -0.0002214800000000, 0.0000072000000000, -0.0006393400000000 ] - [ -0.0000049300000000, 0.0000085400000000, 0.0005980000000000 ] - [ -0.0013301300000000, 0.0001295300000000, -0.0003351300000000 ] - [ 0.0000864000000000, 0.0004586300000000, 0.0005729300000000 ] - [ -0.0001724900000000, -0.0004255200000000, -0.0006613500000000 ] - [ -0.0006259400000000, -0.0011323000000000, 0.0001686600000000 ] - [ 0.0002101600000000, -0.0003640100000000, 0.0014257900000000 ] - [ -0.0000955300000000, -0.0000478500000000, 0.0005332800000000 ] - [ 0.0000292700000000, -0.0000507000000000, 0.0004191300000000 ] - [ -0.0003721800000000, -0.0000870000000000, -0.0005198800000000 ] - [ -0.0003081200000000, 0.0005336800000000, 0.0011595100000000 ] - [ -0.0003560600000000, -0.0002561300000000, -0.0003428700000000 ] - [ -0.0000116400000000, 0.0000201700000000, 0.0006347900000000 ] - [ 0.0002292700000000, -0.0000220800000000, 0.0002175800000000 ] - [ -0.0000540000000000, -0.0000448900000000, 0.0003132500000000 ] - [ 0.0003998500000000, 0.0001802900000000, -0.0003428700000000 ] - [ 0.0000230900000000, 0.0000437500000000, 0.0003050200000000 ] - [ -0.0000265400000000, 0.0000347900000000, -0.0000763700000000 ] - [ -0.0000494300000000, 0.0000018800000000, 0.0003050200000000 ] - [ 0.0000658800000000, 0.0000243200000000, 0.0003132500000000 ] - [ -0.0000168600000000, 0.0000403800000000, -0.0000763700000000 ] - [ -0.0006034800000000, 0.0010452600000000, -0.0032174700000000 ] - [ 0.0000695500000000, -0.0001204600000000, 0.0003008000000000 ] - [ 0.0002614300000000, 0.0002788200000000, -0.0005198800000000 ] - [ -0.0000955100000000, -0.0002095900000000, 0.0002175800000000 ] - [ -0.0023027000000000, 0.0039883900000000, -0.0074165600000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001113600000000, 0.0002968800000000, 0.0002926900000000 ] - [ -0.0000533600000000, 0.0001357600000000, 0.0001473200000000 ] - [ 0.0001707500000000, 0.0000647000000000, 0.0000887000000000 ] - [ -0.0000159100000000, -0.0001694100000000, 0.0001386400000000 ] - [ 0.0014410800000000, 0.0006747700000000, -0.0001948200000000 ] - [ 0.0007830500000000, -0.0000342000000000, -0.0006883200000000 ] - [ 0.0002062800000000, 0.0003883200000000, 0.0000225200000000 ] - [ 0.0005456300000000, -0.0003489000000000, -0.0001907500000000 ] - [ 0.0002345200000000, 0.0004251300000000, 0.0001182200000000 ] - [ 0.0005349700000000, 0.0000165600000000, 0.0036846200000000 ] - [ -0.0000011900000000, 0.0001376200000000, 0.0001401700000000 ] - [ -0.0338800700000000, -0.0012965300000000, 0.0026489700000000 ] - [ -0.0001986900000000, -0.0003199600000000, -0.0004074100000000 ] - [ 0.0008263900000000, 0.0002430400000000, 0.0008895500000000 ] - [ 0.0002168300000000, -0.0013866000000000, -0.0000892400000000 ] - [ -0.0000413600000000, -0.0000922300000000, 0.0001215500000000 ] - [ 0.0001836000000000, 0.0000031800000000, 0.0001773900000000 ] - [ 0.0001260500000000, 0.0000936900000000, 0.0001039800000000 ] - [ -0.0000416200000000, 0.0001238700000000, 0.0000885300000000 ] - [ -0.0001198300000000, 0.0000890600000000, -0.0007491900000000 ] - [ 0.0008532700000000, -0.0001328000000000, 0.0005526100000000 ] - [ 0.0001752800000000, 0.0000495300000000, 0.0000590000000000 ] - [ 0.0001248000000000, -0.0002166200000000, 0.0001708400000000 ] - [ 0.0000724400000000, 0.0000797200000000, -0.0001085300000000 ] - [ 0.0000826300000000, -0.0000231800000000, 0.0002824300000000 ] - [ -0.0000648600000000, -0.0000004000000000, -0.0005352800000000 ] - [ -0.0000189000000000, 0.0002326800000000, -0.0000961600000000 ] - [ 0.0000326300000000, 0.0006647400000000, -0.0003302000000000 ] - [ 0.0001349500000000, -0.0000053900000000, 0.0001903000000000 ] - [ 0.0003390800000000, -0.0004673000000000, 0.0006493100000000 ] - [ -0.0005606600000000, -0.0014919800000000, -0.0022252900000000 ] - [ 0.0044655600000000, 0.0035489000000000, 0.0001195500000000 ] - [ 0.0001126000000000, 0.0002976100000000, 0.0002626300000000 ] - [ 0.0008623500000000, -0.0001211500000000, -0.0001891800000000 ] - [ 0.0022671800000000, 0.0019253800000000, -0.0000798100000000 ] - [ -0.0001086700000000, -0.0000263500000000, 0.0001110600000000 ] - [ 0.0001361500000000, 0.0006399100000000, 0.0000162600000000 ] - [ -0.0023502800000000, 0.0003386200000000, -0.0000423100000000 ] - [ -0.0006038300000000, -0.0008206700000000, 0.0007337800000000 ] - [ -0.0005708800000000, -0.0007269600000000, -0.0004313700000000 ] - [ 0.0002585700000000, 0.0001110000000000, -0.0002652800000000 ] - [ 0.0000464200000000, -0.0001022700000000, 0.0000803300000000 ] - [ 0.0000401400000000, -0.0001062300000000, 0.0000449300000000 ] - [ 0.0001779100000000, -0.0002008300000000, -0.0004460000000000 ] - [ -0.0000086700000000, -0.0001181000000000, 0.0000685000000000 ] - [ 0.0003043600000000, -0.0000501000000000, 0.0004081800000000 ] - [ -0.0001041600000000, 0.0000781100000000, -0.0001717600000000 ] - [ -0.0000884900000000, -0.0000996500000000, 0.0000054400000000 ] - [ -0.0001029700000000, 0.0000740300000000, 0.0000266300000000 ] - [ 0.0003332900000000, -0.0000232500000000, -0.0002565800000000 ] - [ 0.0002757600000000, 0.0000517600000000, -0.0034020700000000 ] - [ -0.0003134200000000, 0.0000834900000000, 0.0001410100000000 ] - [ -0.0001246500000000, 0.0000289200000000, 0.0000762000000000 ] - [ -0.0013742600000000, 0.0001767400000000, 0.0000134100000000 ] - [ 0.0000619300000000, -0.0000369100000000, 0.0001035200000000 ] - [ 0.0001410900000000, -0.0000205700000000, 0.0000364900000000 ] - [ 0.0000317400000000, 0.0004236000000000, 0.0004244800000000 ] - [ -0.0004822500000000, -0.0002154500000000, 0.0002920000000000 ] - [ -0.0001044400000000, -0.0001360600000000, 0.0002970800000000 ] - [ -0.0000478700000000, 0.0001503100000000, 0.0002716000000000 ] - [ -0.0000675200000000, -0.0001152800000000, -0.0003094300000000 ] - [ 0.0005078800000000, -0.0003912800000000, -0.0001002100000000 ] - [ -0.0015140700000000, -0.0012063200000000, 0.0018918500000000 ] - [ 0.0001637900000000, 0.0003542300000000, 0.0002385700000000 ] - [ 0.0000655800000000, 0.0000872100000000, 0.0000931300000000 ] - [ -0.0033904900000000, 0.0031147400000000, -0.0071980200000000 ] - [ -0.0000132700000000, -0.0000314800000000, -0.0005093000000000 ] - [ 0.0000456600000000, 0.0000966300000000, -0.0001158400000000 ] - [ -0.0000796700000000, 0.0000057800000000, -0.0008389100000000 ] - [ 0.0019273900000000, 0.0003771900000000, -0.0000721400000000 ] - [ 0.0022606300000000, 0.0003815100000000, 0.0002687700000000 ] - [ 0.0083727000000000, -0.0111492000000000, -0.0035702200000000 ] - [ 0.0109371000000000, -0.0039788800000000, 0.0021686300000000 ] - [ -0.0009488000000000, 0.0001272300000000, 0.0002562300000000 ] - [ -0.0003622700000000, -0.0010923300000000, 0.0001658800000000 ] - [ 0.0009441900000000, 0.0017428000000000, -0.0003399800000000 ] - [ -0.0000091300000000, -0.0002104900000000, 0.0007397100000000 ] - [ 0.0000065000000000, -0.0002281400000000, -0.0002263000000000 ] - [ 0.0007400500000000, -0.0000743000000000, -0.0002045200000000 ] - [ -0.0000224400000000, 0.0000045500000000, 0.0000003500000000 ] - [ -0.0001575800000000, -0.0005678200000000, -0.0003968100000000 ] - [ -0.0012162500000000, 0.0028079000000000, 0.0026117700000000 ] - [ 0.0001189100000000, 0.0000394300000000, 0.0003342600000000 ] - [ -0.0000463900000000, -0.0000948200000000, 0.0000783900000000 ] - [ 0.0000039800000000, 0.0000248300000000, -0.0000967800000000 ] - [ 0.0000391100000000, -0.0000120900000000, -0.0001844000000000 ] - [ -0.0000644700000000, -0.0000205600000000, 0.0002211100000000 ] - [ 0.0000261900000000, -0.0001135700000000, 0.0001223800000000 ] - [ 0.0001760300000000, 0.0000594100000000, 0.0003073600000000 ] - [ 0.0003599100000000, 0.0000986200000000, -0.0000351600000000 ] - [ 0.0000393200000000, 0.0000636800000000, 0.0006179500000000 ] - [ -0.0000809200000000, -0.0012352000000000, 0.0012674800000000 ] - [ 0.0001834500000000, 0.0002150400000000, -0.0000836400000000 ] - [ 0.0002939500000000, 0.0000765900000000, -0.0000035200000000 ] - [ 0.0002861100000000, 0.0000882900000000, -0.0004633600000000 ] - [ -0.0000278800000000, -0.0000110200000000, -0.0003520700000000 ] - [ -0.0018809700000000, 0.0006395600000000, -0.0019242800000000 ] - [ -0.0003072400000000, 0.0003051700000000, 0.0000236900000000 ] - [ -0.0005488900000000, -0.0002708100000000, 0.0006585600000000 ] - [ -0.0007160300000000, -0.0000170100000000, -0.0003771200000000 ] - [ -0.0000666500000000, 0.0004271900000000, -0.0004240100000000 ] - [ -0.0000488800000000, -0.0000279100000000, 0.0001739700000000 ] - [ 0.0030219800000000, 0.0003626200000000, 0.0007749300000000 ] - [ 0.0004556200000000, 0.0007269500000000, -0.0004574700000000 ] - [ -0.0001972000000000, -0.0000007200000000, 0.0001576200000000 ] - [ -0.0027482000000000, 0.0001933300000000, -0.0001259200000000 ] - [ 0.0002705000000000, 0.0001735000000000, 0.0004102600000000 ] - [ -0.0009123500000000, 0.0000987200000000, -0.0000508300000000 ] - [ -0.0000480500000000, -0.0000753300000000, -0.0001304600000000 ] - [ -0.0003004100000000, -0.0000083300000000, -0.0000746300000000 ] - [ -0.0002149300000000, -0.0004423100000000, 0.0002737100000000 ] - [ 0.0000883100000000, -0.0002001600000000, -0.0001314300000000 ] - [ -0.0000741000000000, 0.0000005700000000, -0.0000606100000000 ] - [ 0.0001098900000000, 0.0005106300000000, -0.0000656600000000 ] - [ -0.0000144100000000, 0.0004873500000000, 0.0005024800000000 ] - [ 0.0000604100000000, -0.0000104400000000, 0.0010939900000000 ] - [ -0.0001460500000000, 0.0000122100000000, -0.0001119800000000 ] - [ 0.0000093400000000, 0.0000714500000000, 0.0001040000000000 ] - [ 0.0028619000000000, -0.0026481100000000, -0.0012876900000000 ] - [ 0.0004621600000000, -0.0011227100000000, 0.0016658000000000 ] - [ -0.0007344500000000, -0.0004776300000000, -0.0002389000000000 ] - [ -0.0004120200000000, -0.0011393100000000, 0.0000377100000000 ] - [ -0.0004769700000000, 0.0000732300000000, -0.0003639900000000 ] - [ -0.0000625200000000, -0.0001650900000000, 0.0003655000000000 ] - [ 0.0001155500000000, -0.0000002000000000, -0.0001544600000000 ] - [ -0.0001317900000000, -0.0001428500000000, 0.0000481000000000 ] - [ 0.0024576600000000, -0.0003780200000000, 0.0004797100000000 ] - [ -0.0000181300000000, -0.0000170100000000, -0.0003666300000000 ] - [ -0.0001966300000000, 0.0000853100000000, 0.0001448600000000 ] - [ -0.0001829800000000, 0.0001348600000000, 0.0003111600000000 ] - [ 0.0053151600000000, 0.0013663700000000, 0.0017453100000000 ] - [ 0.0003949000000000, -0.0001870700000000, -0.0005537100000000 ] - [ -0.0002451200000000, -0.0001418700000000, 0.0002998900000000 ] - [ -0.0009934800000000, 0.0006082700000000, 0.0005556500000000 ] - [ -0.0001738100000000, 0.0000802000000000, -0.0000865000000000 ] - [ 0.0000892600000000, -0.0002865200000000, -0.0004772000000000 ] - [ 0.0002636900000000, -0.0000276300000000, -0.0003039600000000 ] - [ 0.0003419200000000, 0.0002559400000000, 0.0000755400000000 ] - [ -0.0000682900000000, -0.0001333200000000, -0.0002065200000000 ] - [ -0.0000468600000000, -0.0010372200000000, -0.0002876200000000 ] - [ 0.0007445100000000, -0.0008063400000000, -0.0011881300000000 ] - [ 0.0036743500000000, 0.0013583500000000, 0.0011072900000000 ] - [ -0.0009440200000000, -0.0003007500000000, -0.0000974900000000 ] - [ -0.0009567300000000, -0.0009601000000000, 0.0005942000000000 ] - [ -0.0013493000000000, -0.0004189700000000, -0.0008119200000000 ] - [ 0.0002077000000000, -0.0000683200000000, 0.0003039700000000 ] - [ -0.0001313600000000, -0.0005574000000000, 0.0003121000000000 ] - [ -0.0008380300000000, -0.0005461200000000, 0.0001443700000000 ] - [ 0.0001573900000000, 0.0041927300000000, -0.0002401700000000 ] - [ -0.0000226700000000, -0.0000306700000000, -0.0002330400000000 ] - [ 0.0000838100000000, 0.0000321900000000, -0.0003136500000000 ] - [ 0.0001368100000000, 0.0002183600000000, -0.0001301700000000 ] - [ 0.0000085200000000, 0.0000132800000000, 0.0008124000000000 ] - [ 0.0004391000000000, -0.0006793600000000, -0.0003827500000000 ] - [ 0.0003795200000000, 0.0006825700000000, -0.0003817600000000 ] - [ -0.0027118800000000, 0.0022662800000000, 0.0003883100000000 ] - [ 0.0004586200000000, 0.0008394800000000, -0.0002688200000000 ] - [ -0.0008254600000000, 0.0000137600000000, -0.0004572500000000 ] - [ -0.0000342800000000, -0.0000645600000000, -0.0002131700000000 ] - [ 0.0003853400000000, -0.0007149100000000, -0.0004592200000000 ] - [ -0.0001088100000000, 0.0002398700000000, 0.0003275500000000 ] - [ 0.0002292100000000, -0.0002467200000000, 0.0001592100000000 ] - [ 0.0008959500000000, -0.0010032300000000, 0.0002509800000000 ] - [ -0.0014630800000000, 0.0020752900000000, 0.0028181400000000 ] - [ -0.0004193500000000, -0.0000590700000000, -0.0004569300000000 ] - [ -0.0043267300000000, 0.0019576000000000, -0.0004173900000000 ] - [ -0.0000216300000000, 0.0002269100000000, 0.0003194900000000 ] - [ 0.0002215600000000, 0.0004445900000000, 0.0001495500000000 ] - [ -0.0003069800000000, -0.0000767100000000, -0.0000785300000000 ] - [ -0.0000865100000000, 0.0000394500000000, -0.0002464900000000 ] - [ -0.0000043100000000, -0.0002278100000000, 0.0003255900000000 ] - [ -0.0000071000000000, -0.0001148200000000, -0.0000057100000000 ] - [ -0.0000115100000000, -0.0000499500000000, 0.0000630200000000 ] - [ -0.0008519400000000, -0.0003357700000000, 0.0001089200000000 ] - [ 0.0054872800000000, 0.0026926000000000, -0.0020779000000000 ] - [ 0.0000033500000000, -0.0000453600000000, 0.0000623400000000 ] - [ 0.0001672900000000, 0.0004073900000000, -0.0000121700000000 ] - [ -0.0000285200000000, 0.0000134300000000, 0.0000551600000000 ] - [ 0.0001689300000000, 0.0006679400000000, 0.0001457600000000 ] - [ 0.0000427600000000, 0.0000772600000000, -0.0001206400000000 ] - [ 0.0000021200000000, 0.0003010700000000, -0.0010738700000000 ] - [ -0.0000390600000000, 0.0000440000000000, 0.0001022800000000 ] - [ 0.0000205000000000, 0.0000291400000000, 0.0000665100000000 ] - [ -0.0002513000000000, 0.0002656700000000, 0.0002140700000000 ] - [ -0.0008517300000000, -0.0005508800000000, 0.0000949400000000 ] - [ -0.0001133400000000, -0.0003255300000000, -0.0004068700000000 ] - [ 0.0005363600000000, -0.0000066300000000, 0.0006657000000000 ] - [ 0.0036702800000000, -0.0006893900000000, -0.0006454500000000 ] - [ -0.0003704100000000, 0.0000338100000000, 0.0000027800000000 ]- atom: 12 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001637100000000, 0.0001209900000000, 0.0001366100000000 ] - [ -0.0000593100000000, 0.0000907000000000, 0.0001889800000000 ] - [ -0.0002241000000000, 0.0000420000000000, 0.0001922200000000 ] - [ 0.0000341800000000, -0.0001051200000000, 0.0001103800000000 ] - [ -0.0016897600000000, -0.0002260700000000, -0.0002466000000000 ] - [ -0.0010030700000000, -0.0003487500000000, 0.0006760200000000 ] - [ 0.0002471100000000, -0.0003856900000000, -0.0000334600000000 ] - [ -0.0008056500000000, -0.0001048800000000, -0.0002468100000000 ] - [ -0.0003621100000000, -0.0001816100000000, 0.0000028000000000 ] - [ -0.0007600200000000, 0.0003719100000000, -0.0037157700000000 ] - [ 0.0000161000000000, 0.0001517800000000, 0.0001030200000000 ] - [ 0.0341390100000000, 0.0010231800000000, -0.0027946300000000 ] - [ 0.0000004000000000, -0.0000834400000000, -0.0001828500000000 ] - [ -0.0007960200000000, -0.0003992500000000, -0.0003855500000000 ] - [ 0.0002153900000000, 0.0012805000000000, -0.0001651700000000 ] - [ -0.0000769500000000, -0.0001131700000000, 0.0002187700000000 ] - [ 0.0000690900000000, 0.0000121800000000, 0.0001593000000000 ] - [ 0.0001166400000000, 0.0000636200000000, 0.0001390600000000 ] - [ 0.0000113200000000, 0.0001719200000000, 0.0000240200000000 ] - [ -0.0000748300000000, 0.0003375600000000, 0.0001587000000000 ] - [ -0.0003994500000000, 0.0001257200000000, -0.0005655700000000 ] - [ 0.0000962400000000, 0.0000719700000000, 0.0000535900000000 ] - [ -0.0000717900000000, -0.0002158800000000, 0.0002569100000000 ] - [ 0.0000474400000000, -0.0000728400000000, 0.0003892200000000 ] - [ 0.0001941800000000, 0.0000310200000000, 0.0003112700000000 ] - [ -0.0001858500000000, -0.0003726000000000, -0.0000535300000000 ] - [ -0.0000883900000000, -0.0000288000000000, -0.0002435100000000 ] - [ -0.0001815300000000, -0.0007167900000000, 0.0008276100000000 ] - [ 0.0002018300000000, 0.0002592600000000, 0.0002397900000000 ] - [ -0.0003231500000000, 0.0006243800000000, -0.0001521600000000 ] - [ 0.0012947700000000, 0.0014792700000000, 0.0022656900000000 ] - [ -0.0039928600000000, -0.0035871600000000, -0.0005640000000000 ] - [ 0.0000180700000000, -0.0002070600000000, 0.0002327300000000 ] - [ -0.0007317900000000, 0.0000147800000000, 0.0006856000000000 ] - [ -0.0018159100000000, -0.0018012300000000, -0.0001766800000000 ] - [ -0.0001382000000000, -0.0000956200000000, 0.0001376700000000 ] - [ -0.0005224100000000, 0.0000034100000000, 0.0000251100000000 ] - [ 0.0022181800000000, 0.0001172200000000, -0.0002129200000000 ] - [ 0.0002284300000000, 0.0001668300000000, -0.0006981000000000 ] - [ 0.0004443600000000, 0.0005025000000000, 0.0005584300000000 ] - [ 0.0002074400000000, -0.0000650400000000, -0.0003249600000000 ] - [ 0.0001858200000000, -0.0000807700000000, 0.0001641800000000 ] - [ -0.0001494900000000, -0.0000843500000000, -0.0003925200000000 ] - [ -0.0004004400000000, 0.0005940000000000, 0.0004340000000000 ] - [ -0.0000236700000000, -0.0001857900000000, 0.0000349300000000 ] - [ 0.0000337500000000, -0.0001989800000000, 0.0000191000000000 ] - [ -0.0001809600000000, 0.0002846300000000, -0.0004169800000000 ] - [ -0.0001588400000000, -0.0000809500000000, 0.0000968700000000 ] - [ -0.0001321900000000, 0.0001026100000000, 0.0000835300000000 ] - [ -0.0001023500000000, 0.0000316100000000, -0.0000828800000000 ] - [ -0.0004245900000000, 0.0000055400000000, 0.0039165800000000 ] - [ -0.0000731800000000, 0.0000869700000000, 0.0002867400000000 ] - [ -0.0001496600000000, 0.0000804000000000, 0.0001686600000000 ] - [ 0.0010687400000000, 0.0001356700000000, -0.0002671400000000 ] - [ -0.0001279600000000, -0.0000781900000000, 0.0001697800000000 ] - [ 0.0001291400000000, -0.0000948900000000, 0.0000746900000000 ] - [ -0.0002505500000000, -0.0008057600000000, -0.0004307200000000 ] - [ 0.0000810000000000, 0.0000457400000000, 0.0001336500000000 ] - [ -0.0000341400000000, -0.0001043900000000, 0.0002944100000000 ] - [ -0.0000840700000000, 0.0000935700000000, 0.0003215900000000 ] - [ 0.0005253400000000, 0.0000492700000000, -0.0002779200000000 ] - [ -0.0008183300000000, 0.0000533400000000, -0.0001466400000000 ] - [ 0.0017710000000000, 0.0012226800000000, -0.0017759300000000 ] - [ -0.0001114300000000, -0.0004476500000000, 0.0003591600000000 ] - [ -0.0001364600000000, 0.0000275600000000, 0.0001348200000000 ] - [ 0.0033739300000000, -0.0031083800000000, 0.0073952000000000 ] - [ 0.0000135300000000, 0.0000315200000000, -0.0004983000000000 ] - [ 0.0002353100000000, 0.0003891400000000, 0.0000133600000000 ] - [ 0.0000787100000000, -0.0000051900000000, -0.0001677700000000 ] - [ -0.0019264300000000, -0.0003796900000000, 0.0009968200000000 ] - [ -0.0022642100000000, -0.0003855000000000, -0.0009381200000000 ] - [ -0.0081973600000000, 0.0115917300000000, 0.0030859500000000 ] - [ -0.0113967000000000, 0.0038888100000000, -0.0026560700000000 ] - [ 0.0003845700000000, -0.0001274900000000, -0.0003551200000000 ] - [ 0.0003499700000000, 0.0010995600000000, -0.0000060300000000 ] - [ -0.0007117900000000, -0.0021474400000000, -0.0001338800000000 ] - [ -0.0001019300000000, 0.0002100300000000, -0.0001412600000000 ] - [ 0.0000542500000000, 0.0003273700000000, 0.0008311900000000 ] - [ -0.0004588600000000, -0.0004141200000000, 0.0001010000000000 ] - [ 0.0001569600000000, -0.0000066100000000, 0.0002257700000000 ] - [ 0.0001686000000000, 0.0005643200000000, -0.0001758300000000 ] - [ 0.0011496300000000, -0.0028321700000000, -0.0031887500000000 ] - [ -0.0001177300000000, -0.0000385200000000, 0.0003447400000000 ] - [ -0.0000224600000000, -0.0000247500000000, 0.0001510900000000 ] - [ -0.0000055200000000, -0.0000289300000000, -0.0001435000000000 ] - [ -0.0000416200000000, 0.0000089400000000, -0.0000554100000000 ] - [ 0.0000666300000000, 0.0000246400000000, 0.0001069000000000 ] - [ 0.0000890000000000, -0.0000826900000000, 0.0001435200000000 ] - [ 0.0002577000000000, 0.0001197100000000, 0.0002626600000000 ] - [ 0.0002810500000000, -0.0001039200000000, 0.0004412800000000 ] - [ -0.0000392600000000, -0.0000663500000000, 0.0004054300000000 ] - [ 0.0002801500000000, 0.0015117900000000, -0.0019310000000000 ] - [ -0.0000291100000000, 0.0000539900000000, -0.0000216100000000 ] - [ -0.0005957500000000, -0.0000693600000000, -0.0001025700000000 ] - [ -0.0000209100000000, 0.0000660700000000, -0.0000496800000000 ] - [ 0.0000262900000000, 0.0000082100000000, -0.0004198100000000 ] - [ 0.0019633500000000, -0.0006341500000000, 0.0023645200000000 ] - [ -0.0001961400000000, 0.0000907000000000, 0.0003294900000000 ] - [ 0.0016538500000000, 0.0002778500000000, 0.0001216800000000 ] - [ -0.0009450200000000, -0.0000364800000000, -0.0005686000000000 ] - [ 0.0002674900000000, -0.0007033900000000, -0.0002276300000000 ] - [ -0.0000452100000000, -0.0001340200000000, -0.0003819400000000 ] - [ -0.0033574900000000, -0.0003221400000000, -0.0014315900000000 ] - [ 0.0004134400000000, 0.0006791400000000, -0.0004885300000000 ] - [ -0.0000314600000000, 0.0000023400000000, 0.0001086100000000 ] - [ 0.0030151100000000, 0.0002757800000000, -0.0001139500000000 ] - [ 0.0002968600000000, 0.0000662700000000, -0.0000577200000000 ] - [ 0.0007931000000000, 0.0001080100000000, 0.0000566000000000 ] - [ -0.0000836600000000, -0.0001520800000000, -0.0002349900000000 ] - [ 0.0003016700000000, 0.0003148200000000, -0.0004365900000000 ] - [ 0.0001680800000000, 0.0005138400000000, 0.0001693100000000 ] - [ 0.0001418900000000, -0.0001904500000000, -0.0001820500000000 ] - [ -0.0000209200000000, 0.0001491700000000, -0.0001454000000000 ] - [ -0.0001063700000000, -0.0005095300000000, 0.0000348900000000 ] - [ -0.0000645800000000, 0.0001263000000000, -0.0001484000000000 ] - [ -0.0000632200000000, 0.0000065600000000, 0.0005371600000000 ] - [ -0.0003061500000000, -0.0000086800000000, -0.0002008500000000 ] - [ 0.0001042200000000, 0.0001256200000000, 0.0001612100000000 ] - [ -0.0027705200000000, 0.0023845500000000, 0.0009463300000000 ] - [ -0.0003198300000000, 0.0008128400000000, -0.0023122300000000 ] - [ 0.0002102100000000, 0.0004894800000000, 0.0000032900000000 ] - [ 0.0006585100000000, 0.0016013000000000, -0.0002754500000000 ] - [ 0.0002181700000000, 0.0000874300000000, -0.0001488200000000 ] - [ -0.0002594300000000, -0.0003906600000000, 0.0000414800000000 ] - [ 0.0000121900000000, 0.0000060300000000, -0.0003509800000000 ] - [ 0.0002902400000000, -0.0001154400000000, -0.0001527500000000 ] - [ -0.0025353800000000, 0.0002406300000000, -0.0001763900000000 ] - [ -0.0003037100000000, -0.0000191400000000, -0.0002805000000000 ] - [ -0.0001260500000000, 0.0004649800000000, 0.0002607200000000 ] - [ -0.0001926200000000, 0.0001478300000000, 0.0002604400000000 ] - [ -0.0056199200000000, -0.0016327400000000, -0.0020397400000000 ] - [ -0.0001264000000000, 0.0000418200000000, 0.0000388400000000 ] - [ -0.0001100300000000, -0.0001352800000000, 0.0002693000000000 ] - [ 0.0004440500000000, 0.0003534900000000, 0.0002249900000000 ] - [ 0.0000452500000000, 0.0001568800000000, -0.0002736700000000 ] - [ -0.0000806800000000, 0.0002956400000000, 0.0015129400000000 ] - [ 0.0000059100000000, 0.0000346400000000, -0.0000597000000000 ] - [ -0.0004265400000000, -0.0001040600000000, 0.0002291100000000 ] - [ -0.0001935800000000, -0.0000188900000000, -0.0003044800000000 ] - [ 0.0001449000000000, 0.0008504900000000, -0.0000350900000000 ] - [ -0.0005464200000000, 0.0008074400000000, 0.0014792700000000 ] - [ -0.0036352500000000, -0.0012659600000000, -0.0012028500000000 ] - [ 0.0009472700000000, 0.0003061400000000, -0.0007907800000000 ] - [ 0.0004068700000000, 0.0000091500000000, 0.0001856100000000 ] - [ 0.0015883100000000, 0.0004213500000000, 0.0008195500000000 ] - [ 0.0002243400000000, -0.0001152600000000, 0.0002678600000000 ] - [ 0.0000530100000000, -0.0000680500000000, 0.0000421000000000 ] - [ 0.0007226900000000, 0.0003467800000000, -0.0001412600000000 ] - [ -0.0000597600000000, -0.0040441500000000, -0.0000809900000000 ] - [ -0.0000362300000000, -0.0000710700000000, -0.0002749300000000 ] - [ 0.0000939800000000, -0.0000397600000000, 0.0001073600000000 ] - [ 0.0000903500000000, 0.0001757500000000, -0.0001848200000000 ] - [ -0.0000104300000000, -0.0000181100000000, 0.0008198000000000 ] - [ 0.0004278800000000, -0.0007364400000000, -0.0005640200000000 ] - [ 0.0004036500000000, 0.0007723800000000, -0.0005638000000000 ] - [ 0.0030014500000000, -0.0027134000000000, -0.0006216200000000 ] - [ -0.0003193700000000, -0.0005359200000000, -0.0003817900000000 ] - [ -0.0008325500000000, 0.0000289300000000, -0.0004888100000000 ] - [ 0.0000335200000000, -0.0002396000000000, -0.0002981800000000 ] - [ 0.0003992500000000, -0.0007515200000000, -0.0004866700000000 ] - [ 0.0000225800000000, -0.0003832400000000, -0.0000203900000000 ] - [ 0.0003662200000000, 0.0000088200000000, 0.0001952900000000 ] - [ -0.0009748400000000, 0.0011491100000000, 0.0000609000000000 ] - [ 0.0014270800000000, -0.0021679600000000, -0.0023851600000000 ] - [ 0.0004168300000000, 0.0000544200000000, 0.0003685000000000 ] - [ 0.0037746000000000, -0.0019708400000000, 0.0001814700000000 ] - [ -0.0000408900000000, 0.0002360200000000, 0.0002518200000000 ] - [ -0.0000609900000000, -0.0004506900000000, 0.0001586900000000 ] - [ -0.0001942800000000, -0.0003040700000000, 0.0004316600000000 ] - [ 0.0000281700000000, 0.0000744200000000, -0.0002601200000000 ] - [ -0.0000581700000000, -0.0002187000000000, 0.0002433100000000 ] - [ 0.0000480700000000, 0.0000310100000000, -0.0000369300000000 ] - [ -0.0001037900000000, -0.0001475700000000, 0.0001030300000000 ] - [ 0.0008503500000000, 0.0003128200000000, 0.0000551300000000 ] - [ -0.0060059000000000, -0.0028117300000000, 0.0025082800000000 ] - [ 0.0000211400000000, 0.0000015600000000, 0.0000051600000000 ] - [ -0.0001704900000000, -0.0004093400000000, 0.0001739500000000 ] - [ -0.0000216800000000, -0.0000143300000000, 0.0000130700000000 ] - [ 0.0000656400000000, -0.0002575100000000, 0.0001842100000000 ] - [ -0.0000021500000000, -0.0000059300000000, 0.0000726100000000 ] - [ 0.0000113400000000, -0.0002765300000000, 0.0003631700000000 ] - [ -0.0000534300000000, -0.0000504200000000, -0.0001447300000000 ] - [ 0.0000029300000000, 0.0000119700000000, -0.0000004700000000 ] - [ 0.0002430500000000, -0.0002579400000000, -0.0009300100000000 ] - [ 0.0010888500000000, 0.0001489200000000, 0.0002352700000000 ] - [ 0.0001244800000000, 0.0003217800000000, -0.0003113200000000 ] - [ -0.0003023100000000, 0.0000083200000000, -0.0004981800000000 ] - [ -0.0037082100000000, 0.0006520700000000, 0.0007837600000000 ] - [ 0.0002557900000000, 0.0001712600000000, 0.0001607100000000 ]- atom: 12 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000236100000000, 0.0003591400000000, 0.0004090600000000 ] - [ -0.0000474200000000, 0.0001282300000000, 0.0001585800000000 ] - [ -0.0001267800000000, -0.0000434600000000, 0.0001135500000000 ] - [ 0.0000052100000000, -0.0001216100000000, 0.0000877200000000 ] - [ -0.0012910300000000, -0.0004503100000000, -0.0001903800000000 ] - [ -0.0002395200000000, -0.0007700700000000, 0.0005930000000000 ] - [ 0.0003021900000000, 0.0004719900000000, -0.0000248000000000 ] - [ -0.0006483100000000, 0.0002353700000000, -0.0001918100000000 ] - [ 0.0001279700000000, 0.0002922800000000, 0.0000546000000000 ] - [ -0.0004937500000000, -0.0017543000000000, -0.0020194800000000 ] - [ 0.0000306700000000, 0.0000817500000000, 0.0000899700000000 ] - [ 0.0158643900000000, -0.0295209600000000, 0.0033285700000000 ] - [ -0.0001690800000000, -0.0001201800000000, -0.0000522900000000 ] - [ -0.0002259600000000, -0.0008121700000000, -0.0002222500000000 ] - [ -0.0001756500000000, 0.0015064800000000, -0.0000975800000000 ] - [ -0.0000773300000000, -0.0001469100000000, 0.0001905800000000 ] - [ 0.0000994300000000, 0.0000055600000000, 0.0001301500000000 ] - [ 0.0001426800000000, 0.0000923200000000, 0.0001133400000000 ] - [ -0.0000074900000000, 0.0000755800000000, 0.0000519800000000 ] - [ -0.0000279400000000, -0.0000855700000000, -0.0003186800000000 ] - [ -0.0002472500000000, 0.0000734200000000, -0.0004555900000000 ] - [ 0.0001120100000000, 0.0000620700000000, 0.0000356700000000 ] - [ 0.0000160300000000, -0.0001039300000000, 0.0001790900000000 ] - [ 0.0001224100000000, -0.0001082100000000, 0.0000594700000000 ] - [ 0.0001239600000000, -0.0000307200000000, 0.0003442800000000 ] - [ 0.0000072200000000, -0.0000419100000000, -0.0005418300000000 ] - [ 0.0000108100000000, 0.0001728600000000, -0.0001486200000000 ] - [ 0.0003995600000000, 0.0003775900000000, -0.0002980700000000 ] - [ 0.0000598700000000, 0.0002919300000000, 0.0001642200000000 ] - [ -0.0004167000000000, 0.0007368400000000, -0.0001965800000000 ] - [ -0.0005319200000000, 0.0004197200000000, 0.0035010500000000 ] - [ 0.0013942900000000, -0.0018676900000000, -0.0001384900000000 ] - [ 0.0001759300000000, 0.0004535900000000, 0.0003040000000000 ] - [ -0.0005783300000000, -0.0000134100000000, 0.0006358400000000 ] - [ 0.0008536300000000, -0.0009892800000000, 0.0000059900000000 ] - [ -0.0001024200000000, -0.0000334700000000, 0.0001212600000000 ] - [ 0.0001701100000000, 0.0005748800000000, 0.0000425200000000 ] - [ 0.0009720300000000, 0.0059639700000000, -0.0001599100000000 ] - [ -0.0005931200000000, 0.0005147800000000, -0.0007870100000000 ] - [ -0.0002141700000000, 0.0007781800000000, 0.0007063800000000 ] - [ 0.0003197500000000, 0.0001313800000000, -0.0002025900000000 ] - [ 0.0001171800000000, -0.0001033500000000, 0.0001512600000000 ] - [ -0.0001151300000000, -0.0002524800000000, -0.0002953600000000 ] - [ -0.0005235000000000, 0.0006911500000000, 0.0005347100000000 ] - [ 0.0000117200000000, -0.0001200900000000, 0.0000835200000000 ] - [ 0.0003106600000000, -0.0001953200000000, 0.0002909300000000 ] - [ -0.0002704200000000, 0.0003519800000000, -0.0003633800000000 ] - [ -0.0001165500000000, -0.0001272400000000, 0.0000592000000000 ] - [ -0.0001425000000000, 0.0001159100000000, 0.0000671400000000 ] - [ 0.0000260800000000, -0.0000091900000000, -0.0000545700000000 ] - [ -0.0002811200000000, -0.0019140800000000, 0.0019475300000000 ] - [ -0.0001348300000000, 0.0001253500000000, -0.0000100300000000 ] - [ -0.0001685000000000, 0.0001009100000000, 0.0001444900000000 ] - [ 0.0004324400000000, 0.0028765300000000, -0.0000845100000000 ] - [ -0.0000815200000000, 0.0000369700000000, 0.0000897700000000 ] - [ 0.0001484800000000, -0.0000240200000000, 0.0000373600000000 ] - [ 0.0004901600000000, 0.0002907300000000, 0.0004590400000000 ] - [ -0.0001686100000000, -0.0003893100000000, 0.0002909200000000 ] - [ -0.0000925000000000, -0.0000935500000000, 0.0002602100000000 ] - [ -0.0000372800000000, 0.0001444700000000, 0.0002891000000000 ] - [ 0.0001352100000000, -0.0001087300000000, -0.0007604800000000 ] - [ -0.0005919900000000, 0.0003450900000000, -0.0000835600000000 ] - [ -0.0000499000000000, 0.0004356300000000, -0.0037204100000000 ] - [ 0.0003058600000000, 0.0002603400000000, 0.0002498700000000 ] - [ -0.0000590500000000, 0.0000321400000000, 0.0000897500000000 ] - [ 0.0045027300000000, -0.0011663600000000, -0.0071357300000000 ] - [ -0.0000251300000000, 0.0000954400000000, -0.0004003200000000 ] - [ 0.0000009600000000, 0.0008683500000000, -0.0002164700000000 ] - [ 0.0000429800000000, -0.0000672700000000, -0.0008325400000000 ] - [ -0.0002019300000000, -0.0003848000000000, 0.0005771200000000 ] - [ -0.0003749200000000, -0.0004110300000000, -0.0002181300000000 ] - [ -0.0091301900000000, 0.0074887200000000, 0.0023683800000000 ] - [ -0.0141841100000000, 0.0011249200000000, -0.0031752200000000 ] - [ 0.0002526300000000, -0.0005673000000000, 0.0003725100000000 ] - [ -0.0001054900000000, 0.0020318400000000, 0.0007638600000000 ] - [ 0.0013970000000000, 0.0014725100000000, -0.0003622300000000 ] - [ -0.0002826400000000, -0.0001619200000000, -0.0002063900000000 ] - [ -0.0001782700000000, -0.0000033500000000, 0.0007504000000000 ] - [ 0.0000535800000000, -0.0003948100000000, -0.0001265900000000 ] - [ 0.0001181300000000, -0.0000789300000000, 0.0000172300000000 ] - [ -0.0008533400000000, 0.0023031100000000, -0.0008574700000000 ] - [ 0.0029920600000000, 0.0003016400000000, 0.0026462900000000 ] - [ -0.0000283400000000, -0.0000401200000000, 0.0003140600000000 ] - [ -0.0000612000000000, 0.0000414900000000, 0.0001067900000000 ] - [ 0.0000071700000000, -0.0000482300000000, -0.0000738600000000 ] - [ -0.0000304600000000, 0.0000276200000000, -0.0001879200000000 ] - [ 0.0000289600000000, 0.0000261000000000, 0.0001877500000000 ] - [ 0.0000441700000000, -0.0000980000000000, 0.0001383000000000 ] - [ 0.0002253800000000, 0.0001162100000000, 0.0003139600000000 ] - [ 0.0004572000000000, 0.0001120000000000, 0.0005094100000000 ] - [ 0.0001716800000000, -0.0004231300000000, 0.0009067100000000 ] - [ -0.0009411200000000, -0.0007830700000000, 0.0012318400000000 ] - [ 0.0000870900000000, -0.0002235000000000, 0.0001438500000000 ] - [ -0.0004064000000000, 0.0001838800000000, -0.0004503100000000 ] - [ 0.0000454800000000, 0.0002172300000000, -0.0005053800000000 ] - [ 0.0000082600000000, 0.0000083900000000, -0.0003444800000000 ] - [ 0.0026627100000000, -0.0000433000000000, 0.0028635600000000 ] - [ -0.0001949500000000, 0.0002137800000000, 0.0003970000000000 ] - [ 0.0004347500000000, 0.0002740300000000, 0.0004816800000000 ] - [ -0.0008070100000000, -0.0000062700000000, -0.0003793800000000 ] - [ 0.0005783900000000, -0.0012145200000000, -0.0005228500000000 ] - [ -0.0000132100000000, -0.0000682100000000, -0.0003235100000000 ] - [ -0.0012325100000000, -0.0001310200000000, 0.0017305100000000 ] - [ 0.0004401300000000, 0.0006703700000000, -0.0004775500000000 ] - [ -0.0000923900000000, 0.0000074200000000, 0.0001350400000000 ] - [ 0.0036558000000000, 0.0024103400000000, -0.0004527900000000 ] - [ 0.0004041300000000, 0.0001206400000000, 0.0000145800000000 ] - [ 0.0002170800000000, 0.0004091500000000, -0.0000093300000000 ] - [ -0.0000412600000000, -0.0002275900000000, -0.0000863500000000 ] - [ 0.0000179500000000, 0.0002831700000000, -0.0002836700000000 ] - [ -0.0003444300000000, -0.0003652700000000, 0.0003037600000000 ] - [ 0.0001030000000000, -0.0001954200000000, -0.0001295600000000 ] - [ -0.0001002100000000, 0.0000177600000000, -0.0000703700000000 ] - [ 0.0001403000000000, -0.0009791200000000, -0.0004200200000000 ] - [ 0.0000345100000000, 0.0003824500000000, -0.0000704100000000 ] - [ -0.0000402100000000, 0.0000480200000000, 0.0010898700000000 ] - [ -0.0002416700000000, 0.0000264300000000, -0.0001156900000000 ] - [ 0.0000687400000000, 0.0001375100000000, 0.0001564100000000 ] - [ -0.0017496600000000, 0.0055967300000000, 0.0012327200000000 ] - [ -0.0013567500000000, 0.0026949700000000, 0.0008289300000000 ] - [ -0.0010315700000000, -0.0005623000000000, -0.0002716100000000 ] - [ -0.0008250200000000, -0.0009038400000000, 0.0000882200000000 ] - [ -0.0000348700000000, 0.0000914300000000, -0.0002147500000000 ] - [ -0.0000347300000000, -0.0002750900000000, -0.0000558700000000 ] - [ 0.0000326300000000, 0.0000480000000000, -0.0001648800000000 ] - [ -0.0000032200000000, -0.0001127800000000, -0.0000072800000000 ] - [ -0.0015292500000000, 0.0019356600000000, 0.0004315300000000 ] - [ -0.0002026900000000, -0.0004813300000000, -0.0005210300000000 ] - [ -0.0002385000000000, 0.0001546800000000, 0.0001778700000000 ] - [ -0.0001764200000000, 0.0001195700000000, 0.0003121200000000 ] - [ -0.0032833500000000, 0.0009393400000000, -0.0015705600000000 ] - [ -0.0000562400000000, 0.0003683700000000, -0.0002120400000000 ] - [ -0.0001511300000000, -0.0001423000000000, 0.0003043400000000 ] - [ -0.0000802000000000, 0.0007591300000000, 0.0003925700000000 ] - [ -0.0000388400000000, 0.0001468800000000, -0.0001254700000000 ] - [ -0.0002795400000000, -0.0000426900000000, -0.0004733000000000 ] - [ 0.0000296100000000, 0.0001077700000000, -0.0003362400000000 ] - [ 0.0003619200000000, -0.0014974700000000, 0.0009789500000000 ] - [ -0.0000473200000000, -0.0002616000000000, -0.0001636100000000 ] - [ -0.0001429200000000, -0.0007351100000000, -0.0002447800000000 ] - [ -0.0012784500000000, 0.0002500300000000, 0.0002288200000000 ] - [ -0.0006595000000000, 0.0038464000000000, 0.0010996900000000 ] - [ 0.0003058900000000, 0.0002899300000000, -0.0004993000000000 ] - [ -0.0000755700000000, -0.0004193800000000, 0.0003546100000000 ] - [ 0.0000980100000000, 0.0004115600000000, 0.0001172200000000 ] - [ 0.0002512200000000, -0.0001467800000000, 0.0003025100000000 ] - [ -0.0002045800000000, -0.0005040500000000, 0.0002987600000000 ] - [ 0.0002189100000000, 0.0000108400000000, -0.0002091900000000 ] - [ 0.0015448900000000, -0.0023482500000000, -0.0002861600000000 ] - [ -0.0000136800000000, -0.0001075500000000, -0.0002558700000000 ] - [ 0.0001398600000000, 0.0000231400000000, 0.0001617300000000 ] - [ 0.0001106700000000, 0.0001435500000000, -0.0001325000000000 ] - [ 0.0000162900000000, -0.0000651000000000, 0.0007215900000000 ] - [ 0.0003840200000000, -0.0006030600000000, -0.0003749800000000 ] - [ 0.0003594500000000, 0.0006958800000000, -0.0003796200000000 ] - [ 0.0038506800000000, -0.0027070600000000, -0.0004936500000000 ] - [ -0.0000480800000000, -0.0008763200000000, -0.0006339200000000 ] - [ -0.0008376000000000, -0.0000030500000000, -0.0004780300000000 ] - [ 0.0001681100000000, -0.0004658800000000, -0.0003694800000000 ] - [ 0.0004321900000000, -0.0008050300000000, -0.0004829300000000 ] - [ -0.0000197400000000, -0.0010352100000000, 0.0000021200000000 ] - [ 0.0001442800000000, -0.0002437300000000, 0.0001110300000000 ] - [ -0.0010964500000000, 0.0002365300000000, -0.0012216400000000 ] - [ 0.0015685500000000, -0.0012035000000000, -0.0019166400000000 ] - [ 0.0000337000000000, 0.0000604600000000, -0.0001450600000000 ] - [ 0.0032877400000000, -0.0012145700000000, 0.0003432300000000 ] - [ -0.0000472300000000, 0.0002405000000000, 0.0003188200000000 ] - [ 0.0005385000000000, -0.0008061300000000, 0.0001748200000000 ] - [ -0.0002002500000000, -0.0000443400000000, 0.0003288600000000 ] - [ -0.0000156000000000, 0.0000701300000000, -0.0002395700000000 ] - [ -0.0000665900000000, -0.0001499300000000, 0.0003278400000000 ] - [ -0.0000345500000000, -0.0001052700000000, -0.0000099600000000 ] - [ 0.0000492500000000, -0.0004011600000000, -0.0000046900000000 ] - [ 0.0002132600000000, 0.0002212200000000, 0.0000418900000000 ] - [ -0.0008188000000000, 0.0057937800000000, -0.0017378700000000 ] - [ -0.0000065400000000, -0.0000402500000000, 0.0000655600000000 ] - [ 0.0001653200000000, -0.0009653300000000, 0.0001668300000000 ] - [ -0.0000171200000000, 0.0000137200000000, 0.0000714200000000 ] - [ 0.0002965900000000, -0.0007635800000000, 0.0001222500000000 ] - [ 0.0000591800000000, 0.0000503400000000, 0.0001036200000000 ] - [ 0.0003618400000000, -0.0000091000000000, 0.0002599000000000 ] - [ -0.0000189400000000, 0.0000341200000000, -0.0001164500000000 ] - [ 0.0000243600000000, 0.0000254800000000, 0.0000592500000000 ] - [ 0.0002260200000000, 0.0001643600000000, -0.0009828500000000 ] - [ 0.0005227500000000, 0.0001326100000000, 0.0001732600000000 ] - [ -0.0002091700000000, -0.0002769000000000, -0.0004062400000000 ] - [ -0.0000762000000000, 0.0003263700000000, 0.0006299500000000 ] - [ -0.0022924100000000, 0.0025748200000000, -0.0007829400000000 ] - [ -0.0000419300000000, 0.0001531400000000, 0.0000542500000000 ]- atom: 12 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000323800000000, 0.0000542700000000, 0.0000119000000000 ] - [ -0.0000688800000000, 0.0001041100000000, 0.0001851400000000 ] - [ 0.0000783200000000, 0.0001420200000000, 0.0001554700000000 ] - [ 0.0000101000000000, -0.0001568900000000, 0.0001742800000000 ] - [ 0.0010456800000000, 0.0008914500000000, -0.0002445900000000 ] - [ 0.0000197500000000, 0.0003870500000000, -0.0006032600000000 ] - [ 0.0001516000000000, -0.0004662700000000, 0.0000121500000000 ] - [ 0.0003938200000000, -0.0006799000000000, -0.0002395600000000 ] - [ -0.0002612900000000, -0.0000428500000000, 0.0000526500000000 ] - [ 0.0002684400000000, 0.0021302000000000, 0.0020114300000000 ] - [ -0.0000186400000000, 0.0002112500000000, 0.0001657600000000 ] - [ -0.0161479900000000, 0.0295599400000000, -0.0034253200000000 ] - [ -0.0000313200000000, -0.0002877800000000, -0.0005480900000000 ] - [ 0.0002530500000000, 0.0006528600000000, 0.0007172300000000 ] - [ 0.0006049500000000, -0.0016117900000000, -0.0001516700000000 ] - [ -0.0000443800000000, -0.0000646900000000, 0.0001570600000000 ] - [ 0.0001597000000000, 0.0000095600000000, 0.0002129700000000 ] - [ 0.0001046000000000, 0.0000641600000000, 0.0001423900000000 ] - [ -0.0000216300000000, 0.0002126800000000, 0.0000744400000000 ] - [ -0.0001688500000000, 0.0005172200000000, -0.0002802300000000 ] - [ 0.0007001400000000, -0.0000847400000000, 0.0004421400000000 ] - [ 0.0001526600000000, 0.0000565800000000, 0.0000907200000000 ] - [ 0.0000404200000000, -0.0003250000000000, 0.0002398600000000 ] - [ -0.0000119400000000, 0.0001153100000000, 0.0002082000000000 ] - [ 0.0001499700000000, 0.0000382600000000, 0.0002585900000000 ] - [ -0.0002605100000000, -0.0003360800000000, -0.0000560300000000 ] - [ -0.0001225000000000, 0.0000389300000000, -0.0001962500000000 ] - [ -0.0005544600000000, -0.0004305400000000, 0.0007889600000000 ] - [ 0.0002723700000000, -0.0000373600000000, 0.0002577800000000 ] - [ 0.0004328800000000, -0.0005750500000000, 0.0006880300000000 ] - [ 0.0012774400000000, -0.0004267700000000, -0.0034792800000000 ] - [ -0.0008678300000000, 0.0018831100000000, -0.0002949400000000 ] - [ -0.0000401900000000, -0.0003601400000000, 0.0001860100000000 ] - [ 0.0007127800000000, -0.0000957600000000, -0.0001458300000000 ] - [ -0.0004278600000000, 0.0010915300000000, -0.0002559400000000 ] - [ -0.0001461000000000, -0.0000929800000000, 0.0001401300000000 ] - [ -0.0005562200000000, 0.0000661800000000, -0.0000007300000000 ] - [ -0.0011209300000000, -0.0055969000000000, -0.0000915400000000 ] - [ 0.0002158500000000, -0.0011667200000000, 0.0008190500000000 ] - [ 0.0000808900000000, -0.0010096600000000, -0.0005887600000000 ] - [ 0.0001510800000000, -0.0000856800000000, -0.0003971700000000 ] - [ 0.0001193600000000, -0.0000791400000000, 0.0001059200000000 ] - [ 0.0000010800000000, 0.0000537900000000, -0.0000573500000000 ] - [ 0.0003047500000000, -0.0002965700000000, -0.0005484900000000 ] - [ -0.0000428800000000, -0.0001767600000000, 0.0000333800000000 ] - [ 0.0000224500000000, -0.0000549700000000, 0.0001271300000000 ] - [ -0.0000177200000000, 0.0000147400000000, -0.0002354300000000 ] - [ -0.0001247400000000, -0.0000481600000000, 0.0000576300000000 ] - [ -0.0000867600000000, 0.0000554400000000, 0.0000573300000000 ] - [ 0.0002141900000000, 0.0000176900000000, -0.0002904100000000 ] - [ 0.0001316600000000, 0.0019663000000000, -0.0014658400000000 ] - [ -0.0002502100000000, 0.0000400300000000, 0.0004286500000000 ] - [ -0.0001071500000000, 0.0000124000000000, 0.0001127800000000 ] - [ -0.0007285500000000, -0.0025372100000000, -0.0001659000000000 ] - [ 0.0000204400000000, -0.0001440900000000, 0.0001722300000000 ] - [ 0.0001150900000000, -0.0000891200000000, 0.0000871700000000 ] - [ -0.0007135800000000, -0.0006700700000000, -0.0004666800000000 ] - [ -0.0002307900000000, 0.0002249300000000, 0.0001251400000000 ] - [ -0.0000446500000000, -0.0001446300000000, 0.0003399100000000 ] - [ -0.0000932500000000, 0.0000965600000000, 0.0003129400000000 ] - [ 0.0003277800000000, 0.0000418700000000, 0.0001626000000000 ] - [ 0.0002821000000000, -0.0006829000000000, -0.0001586800000000 ] - [ 0.0003246000000000, -0.0004168100000000, 0.0038502400000000 ] - [ -0.0002532700000000, -0.0003538500000000, 0.0003462300000000 ] - [ -0.0000111100000000, 0.0000821700000000, 0.0001394400000000 ] - [ -0.0044754200000000, 0.0011486100000000, 0.0073333400000000 ] - [ 0.0000253300000000, -0.0000961600000000, -0.0006028200000000 ] - [ 0.0002811600000000, -0.0003822500000000, 0.0001082300000000 ] - [ -0.0000439100000000, 0.0000675700000000, -0.0001689000000000 ] - [ 0.0002098100000000, 0.0003848700000000, 0.0003353700000000 ] - [ 0.0003803300000000, 0.0004096100000000, -0.0004493100000000 ] - [ 0.0092848600000000, -0.0071124400000000, -0.0028503000000000 ] - [ 0.0137657000000000, -0.0011665400000000, 0.0026929400000000 ] - [ -0.0008187300000000, 0.0005676600000000, -0.0004768800000000 ] - [ 0.0000913000000000, -0.0020293900000000, -0.0006107500000000 ] - [ -0.0011614300000000, -0.0018781500000000, -0.0001064900000000 ] - [ 0.0001743600000000, 0.0001631300000000, 0.0008031900000000 ] - [ 0.0002384100000000, 0.0000993700000000, -0.0001474600000000 ] - [ 0.0002273800000000, -0.0000947700000000, 0.0000191300000000 ] - [ 0.0000154400000000, 0.0000767500000000, 0.0002102200000000 ] - [ 0.0008677700000000, -0.0023177200000000, 0.0002891800000000 ] - [ -0.0030092200000000, -0.0003560000000000, -0.0032237200000000 ] - [ 0.0000295700000000, 0.0000411900000000, 0.0003647600000000 ] - [ -0.0000072600000000, -0.0001612500000000, 0.0001244200000000 ] - [ -0.0000085700000000, 0.0000440600000000, -0.0001680400000000 ] - [ 0.0000281500000000, -0.0000309800000000, -0.0000532400000000 ] - [ -0.0000268400000000, -0.0000223700000000, 0.0001413600000000 ] - [ 0.0000695800000000, -0.0000959300000000, 0.0001296900000000 ] - [ 0.0002067500000000, 0.0000582700000000, 0.0002623800000000 ] - [ 0.0001791700000000, -0.0001181300000000, -0.0001102200000000 ] - [ -0.0001721600000000, 0.0004226600000000, 0.0001081900000000 ] - [ 0.0011377400000000, 0.0010612600000000, -0.0018962200000000 ] - [ 0.0000679300000000, 0.0004935800000000, -0.0002524000000000 ] - [ 0.0001046300000000, -0.0001774200000000, 0.0003416000000000 ] - [ 0.0002200900000000, -0.0000627300000000, -0.0000105400000000 ] - [ -0.0000099500000000, -0.0000114900000000, -0.0004200700000000 ] - [ -0.0025921800000000, 0.0000398700000000, -0.0024375800000000 ] - [ -0.0003074900000000, 0.0001790700000000, -0.0000497400000000 ] - [ 0.0006642500000000, -0.0002691300000000, 0.0002955700000000 ] - [ -0.0008521300000000, -0.0000475100000000, -0.0005609000000000 ] - [ -0.0003774900000000, 0.0009406200000000, -0.0001277600000000 ] - [ -0.0000809100000000, -0.0000936800000000, 0.0001159700000000 ] - [ 0.0008827500000000, 0.0001697500000000, -0.0023812400000000 ] - [ 0.0004285800000000, 0.0007346900000000, -0.0004630300000000 ] - [ -0.0001327000000000, -0.0000060600000000, 0.0001331100000000 ] - [ -0.0033969300000000, -0.0019749900000000, 0.0002190500000000 ] - [ 0.0001615000000000, 0.0001196000000000, 0.0003331600000000 ] - [ -0.0003372900000000, -0.0002044300000000, 0.0000136000000000 ] - [ -0.0000901900000000, 0.0000006100000000, -0.0002704400000000 ] - [ -0.0000158200000000, 0.0000230500000000, -0.0002311900000000 ] - [ 0.0002973600000000, 0.0004370200000000, 0.0001322800000000 ] - [ 0.0001257200000000, -0.0001925900000000, -0.0001778700000000 ] - [ 0.0000050800000000, 0.0001320900000000, -0.0001350400000000 ] - [ -0.0001369600000000, 0.0009841700000000, 0.0003924600000000 ] - [ -0.0001124700000000, 0.0002301400000000, 0.0004200400000000 ] - [ 0.0000375300000000, -0.0000520700000000, 0.0005346200000000 ] - [ -0.0002065300000000, -0.0000232900000000, -0.0001908600000000 ] - [ 0.0000430400000000, 0.0000562100000000, 0.0001106500000000 ] - [ 0.0020364000000000, -0.0059876900000000, -0.0015878900000000 ] - [ 0.0014926000000000, -0.0029920800000000, -0.0014821100000000 ] - [ 0.0005048400000000, 0.0005742700000000, 0.0000379900000000 ] - [ 0.0010735600000000, 0.0013640900000000, -0.0003236100000000 ] - [ -0.0002240600000000, 0.0000687900000000, -0.0003014300000000 ] - [ -0.0002850900000000, -0.0002767900000000, 0.0004566900000000 ] - [ 0.0000955300000000, -0.0000426000000000, -0.0003425200000000 ] - [ 0.0001627100000000, -0.0001467400000000, -0.0001014300000000 ] - [ 0.0014582900000000, -0.0020759200000000, -0.0001320100000000 ] - [ -0.0001169000000000, 0.0004462200000000, -0.0001249700000000 ] - [ -0.0000823600000000, 0.0003930900000000, 0.0002222100000000 ] - [ -0.0001948400000000, 0.0001637800000000, 0.0002656200000000 ] - [ 0.0031887600000000, -0.0013040700000000, 0.0013051100000000 ] - [ 0.0003252300000000, -0.0005147000000000, -0.0003061500000000 ] - [ -0.0002002700000000, -0.0001357200000000, 0.0002708500000000 ] - [ -0.0004696600000000, 0.0002003400000000, 0.0003839900000000 ] - [ -0.0000893100000000, 0.0000895700000000, -0.0002274200000000 ] - [ 0.0002833700000000, 0.0000547100000000, 0.0015042000000000 ] - [ 0.0002399300000000, -0.0001012700000000, -0.0000190800000000 ] - [ -0.0004470100000000, 0.0016564400000000, -0.0006827100000000 ] - [ -0.0002151900000000, 0.0001094100000000, -0.0003503300000000 ] - [ 0.0002411700000000, 0.0005494400000000, -0.0000758300000000 ] - [ 0.0014642700000000, -0.0002382500000000, 0.0000744200000000 ] - [ 0.0007202400000000, -0.0037656400000000, -0.0011976200000000 ] - [ -0.0003068400000000, -0.0002865900000000, -0.0003775700000000 ] - [ -0.0004764800000000, -0.0005336700000000, 0.0004216800000000 ] - [ 0.0001343000000000, -0.0004120100000000, -0.0001148500000000 ] - [ 0.0001790900000000, -0.0000326300000000, 0.0002755600000000 ] - [ 0.0001278900000000, -0.0001197400000000, 0.0000500200000000 ] - [ -0.0003369000000000, -0.0002124700000000, 0.0002123500000000 ] - [ -0.0014214200000000, 0.0025226100000000, -0.0000346600000000 ] - [ -0.0000452300000000, 0.0000058600000000, -0.0002540600000000 ] - [ 0.0000380000000000, -0.0000311900000000, -0.0003677200000000 ] - [ 0.0001150600000000, 0.0002481100000000, -0.0001763800000000 ] - [ -0.0000179800000000, 0.0000603800000000, 0.0009046700000000 ] - [ 0.0004819800000000, -0.0008111200000000, -0.0005660500000000 ] - [ 0.0004235600000000, 0.0007583500000000, -0.0005609100000000 ] - [ -0.0035679600000000, 0.0022547600000000, 0.0002609400000000 ] - [ 0.0001876200000000, 0.0011826000000000, -0.0000152600000000 ] - [ -0.0008185400000000, 0.0000456300000000, -0.0004623400000000 ] - [ -0.0001688900000000, 0.0001620200000000, -0.0001445000000000 ] - [ 0.0003513200000000, -0.0006595200000000, -0.0004572400000000 ] - [ -0.0000654600000000, 0.0008966900000000, 0.0003024400000000 ] - [ 0.0004482500000000, 0.0000056200000000, 0.0002377500000000 ] - [ 0.0010025600000000, -0.0000863100000000, 0.0015158400000000 ] - [ -0.0016035800000000, 0.0011261500000000, 0.0023510700000000 ] - [ -0.0000379700000000, -0.0000658900000000, 0.0000577200000000 ] - [ -0.0038387700000000, 0.0012094700000000, -0.0005741500000000 ] - [ -0.0000179500000000, 0.0002188700000000, 0.0002585500000000 ] - [ -0.0003793200000000, 0.0008021100000000, 0.0001297200000000 ] - [ -0.0003006000000000, -0.0003359100000000, 0.0000195400000000 ] - [ -0.0000428900000000, 0.0000438400000000, -0.0002687500000000 ] - [ 0.0000015900000000, -0.0002936300000000, 0.0002473200000000 ] - [ 0.0000762300000000, 0.0000209900000000, -0.0000330700000000 ] - [ -0.0001649800000000, 0.0002031900000000, 0.0001678900000000 ] - [ -0.0002134300000000, -0.0002426400000000, 0.0001216000000000 ] - [ 0.0002905500000000, -0.0058502300000000, 0.0021335400000000 ] - [ 0.0000312600000000, -0.0000037900000000, 0.0000039100000000 ] - [ -0.0001686800000000, 0.0009615400000000, -0.0000032800000000 ] - [ -0.0000331300000000, -0.0000149900000000, -0.0000014700000000 ] - [ -0.0000626100000000, 0.0011714000000000, 0.0002070200000000 ] - [ -0.0000183000000000, 0.0000216700000000, -0.0001519600000000 ] - [ -0.0003474000000000, 0.0000357100000000, -0.0009719500000000 ] - [ -0.0000741000000000, -0.0000409200000000, 0.0000737600000000 ] - [ -0.0000007000000000, 0.0000157600000000, 0.0000084600000000 ] - [ -0.0002361400000000, -0.0001585800000000, 0.0002671200000000 ] - [ -0.0002839300000000, -0.0005329900000000, 0.0001582300000000 ] - [ 0.0002209800000000, 0.0002724400000000, -0.0003121700000000 ] - [ 0.0003134400000000, -0.0003265200000000, -0.0004638200000000 ] - [ 0.0022618100000000, -0.0026483400000000, 0.0008965300000000 ] - [ -0.0000724800000000, 0.0000523900000000, 0.0001083900000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001771200000000, 0.0006278600000000, 0.0007725300000000 ] - [ -0.0000846900000000, 0.0001507200000000, 0.0005103700000000 ] - [ 0.0000160100000000, 0.0000323900000000, 0.0003061300000000 ] - [ 0.0000001200000000, -0.0001776700000000, 0.0004847700000000 ] - [ -0.0001309900000000, 0.0002488400000000, -0.0008134000000000 ] - [ -0.0008472700000000, -0.0000672600000000, -0.0002361100000000 ] - [ 0.0002794700000000, -0.0004330600000000, -0.0002556800000000 ] - [ -0.0001472700000000, -0.0002510300000000, -0.0007968700000000 ] - [ 0.0003751600000000, 0.0004832900000000, -0.0001621200000000 ] - [ 0.0037304000000000, -0.0002073200000000, 0.0029300000000000 ] - [ 0.0000304500000000, 0.0001256500000000, 0.0005547500000000 ] - [ 0.0026739200000000, 0.0052883300000000, -0.0331501600000000 ] - [ -0.0002152200000000, 0.0000167600000000, -0.0000191600000000 ] - [ 0.0007121800000000, -0.0003721800000000, 0.0000890300000000 ] - [ 0.0001542000000000, -0.0000604500000000, -0.0007240000000000 ] - [ -0.0001009800000000, -0.0001490400000000, 0.0005310100000000 ] - [ 0.0001868800000000, 0.0000041200000000, 0.0005199800000000 ] - [ 0.0001474000000000, 0.0000747900000000, 0.0004624300000000 ] - [ 0.0000642200000000, 0.0000995600000000, 0.0005162000000000 ] - [ -0.0004042100000000, 0.0003383000000000, 0.0004850400000000 ] - [ 0.0003441000000000, -0.0000520700000000, -0.0002547400000000 ] - [ 0.0001409100000000, 0.0000661600000000, 0.0003979600000000 ] - [ 0.0000513600000000, -0.0001951700000000, 0.0003948000000000 ] - [ -0.0002108300000000, -0.0000931200000000, 0.0005419500000000 ] - [ 0.0000604300000000, 0.0000343400000000, 0.0007515500000000 ] - [ -0.0002522100000000, -0.0004006700000000, 0.0001965100000000 ] - [ 0.0000734500000000, 0.0001238900000000, 0.0000652000000000 ] - [ -0.0005786100000000, -0.0009405700000000, 0.0004705700000000 ] - [ 0.0001380300000000, 0.0001517300000000, 0.0004006500000000 ] - [ 0.0000328300000000, 0.0001005600000000, 0.0000227600000000 ] - [ -0.0021507400000000, 0.0026647200000000, 0.0023875600000000 ] - [ 0.0005532000000000, 0.0001651600000000, -0.0027619300000000 ] - [ 0.0001519200000000, 0.0006171300000000, 0.0000533300000000 ] - [ 0.0000685000000000, -0.0000303000000000, 0.0000249900000000 ] - [ 0.0000383000000000, 0.0001077600000000, -0.0018667400000000 ] - [ -0.0001035400000000, -0.0000237100000000, 0.0005294300000000 ] - [ -0.0005691800000000, 0.0001320300000000, -0.0002450600000000 ] - [ 0.0000201100000000, 0.0002201300000000, -0.0028749900000000 ] - [ 0.0003726200000000, -0.0009241200000000, -0.0002129900000000 ] - [ -0.0006732800000000, 0.0003405900000000, -0.0001276600000000 ] - [ 0.0001686600000000, 0.0001535500000000, -0.0000859300000000 ] - [ 0.0000875600000000, -0.0000834500000000, 0.0005554300000000 ] - [ 0.0001706100000000, -0.0000949500000000, 0.0001287900000000 ] - [ -0.0002035800000000, 0.0002702900000000, -0.0002573200000000 ] - [ 0.0000398000000000, -0.0000806100000000, 0.0004664500000000 ] - [ 0.0006335300000000, -0.0000857600000000, 0.0007705300000000 ] - [ -0.0000458400000000, 0.0000749000000000, -0.0000945800000000 ] - [ -0.0001668300000000, -0.0000707300000000, 0.0004168400000000 ] - [ -0.0001344400000000, 0.0000846800000000, 0.0003978700000000 ] - [ 0.0000115500000000, 0.0000356900000000, 0.0000629400000000 ] - [ -0.0036733100000000, 0.0000885400000000, 0.0033415900000000 ] - [ -0.0001416800000000, -0.0001844100000000, 0.0006121300000000 ] - [ -0.0001599400000000, 0.0000857200000000, 0.0004724200000000 ] - [ -0.0000263300000000, 0.0000271700000000, -0.0018662500000000 ] - [ -0.0000243700000000, -0.0000137900000000, 0.0002978700000000 ] - [ 0.0001291600000000, -0.0000935600000000, 0.0004017800000000 ] - [ 0.0005618800000000, 0.0007895600000000, 0.0001083600000000 ] - [ -0.0003306300000000, -0.0003111800000000, 0.0013011500000000 ] - [ -0.0000415600000000, -0.0001424400000000, 0.0006580600000000 ] - [ -0.0000853800000000, 0.0001056600000000, 0.0006403300000000 ] - [ 0.0004951300000000, -0.0002387100000000, 0.0005013200000000 ] - [ -0.0001186600000000, -0.0001239300000000, -0.0007058300000000 ] - [ 0.0021351600000000, -0.0032135700000000, 0.0031107600000000 ] - [ 0.0000714900000000, 0.0000410000000000, 0.0011162600000000 ] - [ 0.0000027300000000, 0.0000614200000000, 0.0010868600000000 ] - [ -0.0042950800000000, -0.0070777100000000, 0.0039804000000000 ] - [ -0.0000176100000000, 0.0000554900000000, 0.0003878800000000 ] - [ 0.0001766600000000, -0.0000937900000000, 0.0007912900000000 ] - [ -0.0000394500000000, -0.0000660500000000, 0.0010558700000000 ] - [ -0.0011573300000000, -0.0000405200000000, -0.0008776200000000 ] - [ 0.0011718100000000, 0.0000636900000000, -0.0003672400000000 ] - [ 0.0000922600000000, -0.0005583900000000, -0.0043561700000000 ] - [ -0.0006585300000000, -0.0003116100000000, -0.0038528700000000 ] - [ 0.0001708200000000, 0.0006344000000000, 0.0017997800000000 ] - [ -0.0001564400000000, 0.0007645300000000, -0.0010930200000000 ] - [ 0.0000474700000000, -0.0003031900000000, -0.0023298000000000 ] - [ 0.0008745600000000, -0.0004205200000000, 0.0012999600000000 ] - [ -0.0007941200000000, 0.0006234200000000, 0.0013070200000000 ] - [ -0.0001781700000000, -0.0003965700000000, 0.0007810700000000 ] - [ 0.0000311700000000, -0.0000469100000000, 0.0014082000000000 ] - [ 0.0005451000000000, -0.0009876500000000, -0.0004494200000000 ] - [ 0.0062980600000000, 0.0111052600000000, 0.0048985900000000 ] - [ 0.0000746100000000, 0.0000230000000000, 0.0013849600000000 ] - [ -0.0000374600000000, -0.0000183800000000, 0.0010886600000000 ] - [ -0.0000015100000000, 0.0000168100000000, -0.0003588000000000 ] - [ -0.0000147700000000, -0.0000255700000000, -0.0006402000000000 ] - [ 0.0000293600000000, 0.0000135000000000, -0.0000656600000000 ] - [ -0.0000418700000000, -0.0000003100000000, -0.0002303200000000 ] - [ 0.0002411000000000, 0.0001783500000000, -0.0000832300000000 ] - [ -0.0003606700000000, 0.0002761700000000, -0.0004180500000000 ] - [ -0.0001027200000000, 0.0002070300000000, 0.0005201400000000 ] - [ 0.0012569700000000, 0.0021936100000000, -0.0008790600000000 ] - [ 0.0000672800000000, 0.0004844800000000, -0.0003949200000000 ] - [ -0.0004699800000000, -0.0002655400000000, -0.0009441900000000 ] - [ -0.0000320200000000, -0.0001884900000000, -0.0007127600000000 ] - [ -0.0000094600000000, -0.0000047700000000, -0.0011001100000000 ] - [ -0.0001976100000000, 0.0005076000000000, 0.0026835900000000 ] - [ -0.0004974300000000, 0.0004108900000000, 0.0000766200000000 ] - [ 0.0016435900000000, 0.0001303600000000, 0.0006160200000000 ] - [ -0.0010059600000000, -0.0000025400000000, -0.0009964000000000 ] - [ 0.0001063400000000, -0.0002904400000000, -0.0000934300000000 ] - [ 0.0000967500000000, -0.0001880700000000, -0.0008189600000000 ] - [ 0.0006160500000000, 0.0020493200000000, -0.0016802900000000 ] - [ 0.0004936400000000, 0.0007552900000000, -0.0008208700000000 ] - [ -0.0000225000000000, -0.0000060500000000, -0.0002074800000000 ] - [ 0.0003286200000000, -0.0001535300000000, 0.0010050800000000 ] - [ 0.0005867000000000, 0.0000270100000000, 0.0000754300000000 ] - [ -0.0003765700000000, 0.0002978700000000, 0.0002318000000000 ] - [ -0.0000726500000000, -0.0000676000000000, -0.0007724900000000 ] - [ 0.0002829900000000, 0.0003161100000000, -0.0005903100000000 ] - [ -0.0000804800000000, -0.0000253100000000, 0.0015894400000000 ] - [ 0.0001542500000000, -0.0002956400000000, -0.0005261900000000 ] - [ -0.0000486400000000, 0.0000654800000000, -0.0006947900000000 ] - [ 0.0000411200000000, -0.0001687600000000, 0.0008539000000000 ] - [ 0.0005573800000000, -0.0001404900000000, -0.0004424300000000 ] - [ 0.0000412900000000, 0.0000693700000000, -0.0002904700000000 ] - [ -0.0003657600000000, 0.0000191900000000, -0.0006227600000000 ] - [ -0.0000580800000000, -0.0000190800000000, -0.0002438800000000 ] - [ -0.0003007800000000, 0.0005259500000000, 0.0028743600000000 ] - [ 0.0014046900000000, 0.0013128300000000, -0.0015461500000000 ] - [ 0.0000014300000000, 0.0001053800000000, 0.0006390300000000 ] - [ -0.0000149900000000, 0.0000841300000000, 0.0009462000000000 ] - [ -0.0000921300000000, 0.0001219300000000, -0.0004196600000000 ] - [ 0.0001504000000000, -0.0003774100000000, -0.0000921800000000 ] - [ 0.0001013800000000, 0.0000554600000000, -0.0011444000000000 ] - [ 0.0002830300000000, -0.0001768800000000, -0.0003230100000000 ] - [ -0.0007851600000000, -0.0015121500000000, 0.0062901500000000 ] - [ 0.0000527600000000, -0.0003521500000000, -0.0000754600000000 ] - [ -0.0002322700000000, 0.0000874100000000, -0.0000461600000000 ] - [ -0.0002913300000000, 0.0001159200000000, -0.0000793900000000 ] - [ 0.0007462100000000, -0.0000012700000000, 0.0031367300000000 ] - [ 0.0000333900000000, -0.0004218400000000, -0.0010606700000000 ] - [ -0.0002963400000000, -0.0001300700000000, -0.0000798600000000 ] - [ -0.0000917300000000, 0.0004495400000000, 0.0006730400000000 ] - [ -0.0000202000000000, 0.0001553300000000, -0.0007686500000000 ] - [ -0.0011267100000000, -0.0019994700000000, -0.0026955400000000 ] - [ 0.0000802100000000, -0.0001002300000000, -0.0012625300000000 ] - [ -0.0004171700000000, 0.0009862100000000, 0.0001935400000000 ] - [ -0.0002609900000000, 0.0000631200000000, -0.0005240300000000 ] - [ -0.0000005900000000, 0.0001344900000000, 0.0005795000000000 ] - [ -0.0032449300000000, -0.0020559800000000, 0.0004343100000000 ] - [ -0.0002972700000000, -0.0005261700000000, 0.0028838300000000 ] - [ 0.0002261200000000, 0.0000026400000000, 0.0005060600000000 ] - [ -0.0000373600000000, -0.0004149900000000, 0.0006665500000000 ] - [ -0.0009188900000000, -0.0001353400000000, 0.0000072400000000 ] - [ 0.0002659500000000, -0.0001986100000000, -0.0000786200000000 ] - [ 0.0000467400000000, -0.0001793900000000, -0.0000512300000000 ] - [ -0.0004316000000000, -0.0003609700000000, 0.0002455500000000 ] - [ -0.0002799800000000, 0.0001911300000000, 0.0010030100000000 ] - [ -0.0000178700000000, -0.0000934900000000, -0.0008915500000000 ] - [ -0.0000859100000000, 0.0000624900000000, -0.0008194200000000 ] - [ 0.0001722900000000, 0.0002705600000000, -0.0005302600000000 ] - [ 0.0000153700000000, -0.0000502700000000, 0.0002428700000000 ] - [ 0.0005452600000000, -0.0008473200000000, -0.0009965700000000 ] - [ 0.0005121300000000, 0.0009409100000000, -0.0009962800000000 ] - [ 0.0003107200000000, -0.0000534100000000, 0.0005745500000000 ] - [ 0.0001453900000000, -0.0004628600000000, -0.0000577100000000 ] - [ -0.0009183200000000, -0.0000011800000000, -0.0008175300000000 ] - [ 0.0000034100000000, -0.0001053600000000, -0.0004230500000000 ] - [ 0.0004488400000000, -0.0008395800000000, -0.0008207700000000 ] - [ -0.0000310400000000, 0.0003325300000000, 0.0004237900000000 ] - [ 0.0001705300000000, -0.0002831900000000, -0.0000691200000000 ] - [ -0.0000941300000000, -0.0038254100000000, 0.0004129100000000 ] - [ 0.0006291000000000, -0.0001153900000000, 0.0028499100000000 ] - [ -0.0002423100000000, -0.0000213200000000, -0.0001168900000000 ] - [ -0.0003295200000000, 0.0002922100000000, 0.0006426300000000 ] - [ 0.0000671700000000, 0.0003812900000000, -0.0001689800000000 ] - [ -0.0002267500000000, 0.0001595500000000, 0.0004267900000000 ] - [ -0.0005069000000000, 0.0000288600000000, -0.0001151800000000 ] - [ -0.0000722900000000, 0.0000536800000000, -0.0008907900000000 ] - [ 0.0000606500000000, -0.0003274600000000, -0.0001770300000000 ] - [ 0.0000133200000000, -0.0000502600000000, -0.0003198400000000 ] - [ 0.0000783900000000, -0.0003651800000000, 0.0000105000000000 ] - [ 0.0002776700000000, 0.0000510600000000, 0.0005368900000000 ] - [ -0.0025318000000000, -0.0036598700000000, 0.0072473400000000 ] - [ 0.0000108200000000, -0.0000169900000000, -0.0003406600000000 ] - [ -0.0001219000000000, 0.0002633300000000, 0.0005420200000000 ] - [ -0.0000130700000000, -0.0000049200000000, -0.0003629700000000 ] - [ 0.0002558500000000, -0.0000568100000000, 0.0007505600000000 ] - [ -0.0000851400000000, 0.0001004600000000, -0.0003836800000000 ] - [ -0.0005863700000000, 0.0002764500000000, -0.0005521000000000 ] - [ 0.0000712600000000, -0.0000612000000000, -0.0003810500000000 ] - [ 0.0000020800000000, 0.0000207000000000, -0.0003646900000000 ] - [ 0.0005058600000000, -0.0003206200000000, -0.0005091200000000 ] - [ -0.0001783500000000, -0.0001890000000000, 0.0007528900000000 ] - [ 0.0000215000000000, 0.0000638900000000, -0.0003787000000000 ] - [ 0.0004769900000000, 0.0006961300000000, -0.0010320200000000 ] - [ -0.0007083900000000, -0.0018155700000000, 0.0030436300000000 ] - [ -0.0003542500000000, 0.0000811300000000, 0.0000099500000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002291100000000, -0.0002077500000000, -0.0003443800000000 ] - [ -0.0000286800000000, 0.0000756900000000, -0.0001720000000000 ] - [ -0.0000688000000000, 0.0000742200000000, -0.0000228600000000 ] - [ 0.0000170700000000, -0.0000976400000000, -0.0002387700000000 ] - [ -0.0001173600000000, 0.0001960900000000, 0.0003755900000000 ] - [ 0.0006294200000000, -0.0003175300000000, 0.0002331000000000 ] - [ 0.0001729100000000, 0.0004385300000000, 0.0002469600000000 ] - [ -0.0001129500000000, -0.0001964300000000, 0.0003627100000000 ] - [ -0.0004997200000000, -0.0002400300000000, 0.0002857300000000 ] - [ -0.0040072500000000, 0.0005962000000000, -0.0029638300000000 ] - [ -0.0000163500000000, 0.0001641300000000, -0.0003145800000000 ] - [ -0.0027644700000000, -0.0056519600000000, 0.0323293100000000 ] - [ 0.0000165300000000, -0.0004237000000000, -0.0005727300000000 ] - [ -0.0006801100000000, 0.0002129000000000, 0.0004137700000000 ] - [ 0.0002760000000000, -0.0000465200000000, 0.0004695800000000 ] - [ -0.0000176300000000, -0.0000565100000000, -0.0001883000000000 ] - [ 0.0000663500000000, 0.0000113400000000, -0.0001809700000000 ] - [ 0.0000961600000000, 0.0000817900000000, -0.0002221300000000 ] - [ -0.0000944900000000, 0.0001965500000000, -0.0004086500000000 ] - [ 0.0002110500000000, 0.0000899700000000, -0.0010809800000000 ] - [ 0.0001102300000000, 0.0000442700000000, 0.0002469000000000 ] - [ 0.0001301300000000, 0.0000561700000000, -0.0002898700000000 ] - [ 0.0000028000000000, -0.0002372800000000, 0.0000293000000000 ] - [ 0.0003278200000000, 0.0000997900000000, -0.0002581100000000 ] - [ 0.0002186600000000, -0.0000269000000000, -0.0001620800000000 ] - [ 0.0000007800000000, 0.0000263200000000, -0.0007892100000000 ] - [ -0.0001815400000000, 0.0000800100000000, -0.0004007400000000 ] - [ 0.0004265800000000, 0.0008868900000000, 0.0000297600000000 ] - [ 0.0001988900000000, 0.0001031300000000, 0.0000262900000000 ] - [ -0.0000175700000000, 0.0000587000000000, 0.0004760100000000 ] - [ 0.0029207900000000, -0.0027072700000000, -0.0023610300000000 ] - [ -0.0000255900000000, -0.0001470300000000, 0.0023281900000000 ] - [ -0.0000221300000000, -0.0005224200000000, 0.0004464000000000 ] - [ 0.0000638900000000, -0.0000767500000000, 0.0004726600000000 ] - [ 0.0003925700000000, -0.0000087600000000, 0.0016098700000000 ] - [ -0.0001428300000000, -0.0000986800000000, -0.0002835700000000 ] - [ 0.0001856100000000, 0.0005106500000000, 0.0002891400000000 ] - [ -0.0001480000000000, 0.0002332000000000, 0.0026212500000000 ] - [ -0.0007529700000000, 0.0002729800000000, 0.0002556700000000 ] - [ 0.0005408600000000, -0.0005643700000000, 0.0002548900000000 ] - [ 0.0003007100000000, -0.0001084400000000, -0.0005064700000000 ] - [ 0.0001447700000000, -0.0000981700000000, -0.0003140000000000 ] - [ -0.0002815500000000, -0.0000949300000000, -0.0004721300000000 ] - [ -0.0000188600000000, 0.0001238800000000, 0.0002498200000000 ] - [ -0.0000719100000000, -0.0002237600000000, -0.0003681300000000 ] - [ -0.0002929400000000, -0.0001636400000000, -0.0003445400000000 ] - [ -0.0002417200000000, 0.0002913800000000, -0.0004960500000000 ] - [ -0.0000803600000000, -0.0001086800000000, -0.0003189100000000 ] - [ -0.0001010700000000, 0.0000911400000000, -0.0002919700000000 ] - [ 0.0002200500000000, -0.0000272700000000, -0.0003982600000000 ] - [ 0.0034756600000000, -0.0000307800000000, -0.0028146800000000 ] - [ -0.0002448300000000, 0.0003522000000000, -0.0001867300000000 ] - [ -0.0001139800000000, 0.0000247500000000, -0.0002308600000000 ] - [ -0.0002832700000000, 0.0002847700000000, 0.0016103400000000 ] - [ -0.0000415600000000, -0.0001006600000000, -0.0000215000000000 ] - [ 0.0001409500000000, -0.0000219600000000, -0.0002954200000000 ] - [ -0.0007841400000000, -0.0011739900000000, -0.0001127600000000 ] - [ -0.0000722500000000, 0.0001412200000000, -0.0008697200000000 ] - [ -0.0000983500000000, -0.0000991000000000, -0.0000707700000000 ] - [ -0.0000472200000000, 0.0001397500000000, -0.0000506000000000 ] - [ -0.0000368500000000, 0.0001741700000000, -0.0010958300000000 ] - [ -0.0001890000000000, -0.0002154500000000, 0.0004589200000000 ] - [ -0.0018430900000000, 0.0031896000000000, -0.0029603100000000 ] - [ -0.0000186500000000, -0.0001340500000000, -0.0005165600000000 ] - [ -0.0000728100000000, 0.0000534800000000, -0.0008616400000000 ] - [ 0.0043575300000000, 0.0071643300000000, -0.0037572200000000 ] - [ 0.0000179600000000, -0.0000560600000000, -0.0013954000000000 ] - [ 0.0001036400000000, 0.0005826300000000, -0.0008928100000000 ] - [ 0.0000388500000000, 0.0000673200000000, -0.0020667000000000 ] - [ 0.0011570600000000, 0.0000420400000000, 0.0017885900000000 ] - [ -0.0011735200000000, -0.0000630400000000, -0.0002937000000000 ] - [ 0.0001764700000000, 0.0009348900000000, 0.0038567600000000 ] - [ 0.0001399300000000, 0.0003157900000000, 0.0033511500000000 ] - [ -0.0007396800000000, -0.0006408300000000, -0.0019037900000000 ] - [ 0.0001474600000000, -0.0007614700000000, 0.0012601000000000 ] - [ 0.0001882700000000, -0.0000989900000000, 0.0018524200000000 ] - [ -0.0009773500000000, 0.0004184500000000, -0.0007000100000000 ] - [ 0.0008486900000000, -0.0005201100000000, -0.0007011300000000 ] - [ 0.0004617900000000, -0.0000911500000000, -0.0008827100000000 ] - [ 0.0001027300000000, 0.0000444500000000, -0.0011829800000000 ] - [ -0.0005282800000000, 0.0009781600000000, -0.0001279400000000 ] - [ -0.0063008100000000, -0.0110751900000000, -0.0054214500000000 ] - [ -0.0000740400000000, -0.0000219400000000, -0.0007062700000000 ] - [ -0.0000314800000000, -0.0001005400000000, -0.0008618500000000 ] - [ -0.0000001200000000, -0.0000203900000000, 0.0001206200000000 ] - [ 0.0000122100000000, 0.0000221900000000, 0.0004013100000000 ] - [ -0.0000270000000000, -0.0000093800000000, 0.0003929500000000 ] - [ 0.0001583400000000, -0.0001976600000000, 0.0004937700000000 ] - [ 0.0001913300000000, 0.0000002700000000, 0.0006501600000000 ] - [ 0.0009956400000000, -0.0002794600000000, 0.0008256300000000 ] - [ 0.0001018100000000, -0.0002080600000000, 0.0005080600000000 ] - [ -0.0010654300000000, -0.0019263900000000, 0.0002074500000000 ] - [ 0.0000875400000000, -0.0002178100000000, 0.0002915300000000 ] - [ 0.0001705400000000, 0.0002756100000000, 0.0008441200000000 ] - [ 0.0002992700000000, 0.0003446200000000, 0.0002017600000000 ] - [ 0.0000079200000000, 0.0000020700000000, 0.0003245600000000 ] - [ 0.0002848900000000, -0.0005096700000000, -0.0022277900000000 ] - [ -0.0000087300000000, -0.0000127900000000, 0.0002824900000000 ] - [ -0.0005334100000000, -0.0001245100000000, 0.0001729600000000 ] - [ -0.0006555400000000, -0.0000508900000000, 0.0000492000000000 ] - [ 0.0000943200000000, 0.0000156400000000, -0.0005600500000000 ] - [ -0.0001895900000000, 0.0000257000000000, 0.0006117000000000 ] - [ -0.0009716700000000, -0.0020398700000000, 0.0010285600000000 ] - [ 0.0003756700000000, 0.0006521300000000, -0.0001275100000000 ] - [ -0.0002079000000000, 0.0000078500000000, 0.0004711300000000 ] - [ -0.0000391200000000, 0.0006079300000000, -0.0012440800000000 ] - [ -0.0000154600000000, 0.0002126500000000, 0.0002836500000000 ] - [ 0.0002570600000000, -0.0000915800000000, -0.0002301400000000 ] - [ -0.0000592900000000, -0.0001607800000000, 0.0004099900000000 ] - [ -0.0002848900000000, -0.0000108200000000, 0.0000810600000000 ] - [ 0.0000330000000000, 0.0000958700000000, -0.0011473600000000 ] - [ 0.0000755600000000, -0.0000947400000000, 0.0002094100000000 ] - [ -0.0000463500000000, 0.0000841600000000, 0.0004894700000000 ] - [ -0.0000394100000000, 0.0001709000000000, -0.0008910700000000 ] - [ -0.0006320900000000, 0.0007521400000000, 0.0007990700000000 ] - [ -0.0000444500000000, -0.0000736000000000, 0.0019241900000000 ] - [ -0.0000861700000000, -0.0000153000000000, 0.0003062000000000 ] - [ 0.0001729800000000, 0.0002180200000000, 0.0005066400000000 ] - [ 0.0000785400000000, -0.0005126200000000, -0.0031830100000000 ] - [ -0.0012838400000000, -0.0016389000000000, 0.0008961100000000 ] - [ -0.0005276000000000, -0.0000953500000000, -0.0008758900000000 ] - [ 0.0002625100000000, 0.0003751300000000, -0.0011844700000000 ] - [ -0.0001661800000000, 0.0000394200000000, -0.0000923100000000 ] - [ -0.0004701800000000, -0.0001788900000000, 0.0005038500000000 ] - [ 0.0000273300000000, -0.0000492300000000, 0.0006376500000000 ] - [ -0.0001258900000000, -0.0000810400000000, 0.0002193800000000 ] - [ 0.0008308100000000, 0.0015761900000000, -0.0054579300000000 ] - [ -0.0003783400000000, 0.0003176300000000, -0.0005732600000000 ] - [ -0.0000909500000000, 0.0004625000000000, 0.0004559500000000 ] - [ -0.0000832000000000, 0.0001663600000000, 0.0006482300000000 ] - [ -0.0004718700000000, -0.0004809700000000, -0.0033591200000000 ] - [ 0.0002367700000000, 0.0002810000000000, 0.0005517900000000 ] - [ -0.0000589700000000, -0.0001465300000000, 0.0006456900000000 ] - [ -0.0004585600000000, 0.0005133600000000, 0.0001145700000000 ] - [ -0.0001092500000000, 0.0000825400000000, 0.0004108400000000 ] - [ 0.0011295600000000, 0.0020043800000000, 0.0037241500000000 ] - [ 0.0001909500000000, 0.0001083000000000, 0.0009046300000000 ] - [ 0.0003297200000000, -0.0008297000000000, 0.0001144900000000 ] - [ 0.0000011800000000, -0.0002169300000000, 0.0000150100000000 ] - [ 0.0000987900000000, -0.0003228300000000, -0.0009036700000000 ] - [ 0.0034061100000000, 0.0020469700000000, -0.0001283100000000 ] - [ 0.0003365800000000, 0.0005954400000000, -0.0029753800000000 ] - [ -0.0002250400000000, -0.0000001200000000, -0.0013833300000000 ] - [ -0.0005141000000000, -0.0005412400000000, 0.0001207100000000 ] - [ 0.0011590600000000, 0.0001352500000000, -0.0000058600000000 ] - [ 0.0001653800000000, 0.0000155500000000, 0.0006472300000000 ] - [ -0.0001247800000000, -0.0004462500000000, 0.0004099700000000 ] - [ 0.0003148800000000, 0.0001574700000000, -0.0002439100000000 ] - [ 0.0003776600000000, -0.0000048100000000, -0.0013247800000000 ] - [ -0.0000411100000000, -0.0000087900000000, 0.0003841500000000 ] - [ 0.0002618500000000, -0.0000695800000000, 0.0006135400000000 ] - [ 0.0000549000000000, 0.0001231700000000, 0.0002119600000000 ] - [ -0.0000173800000000, 0.0000459800000000, 0.0013880600000000 ] - [ 0.0003214200000000, -0.0005686000000000, 0.0000484300000000 ] - [ 0.0002713800000000, 0.0005144600000000, 0.0000491100000000 ] - [ -0.0000221600000000, -0.0004076700000000, -0.0008118500000000 ] - [ -0.0000067900000000, 0.0007701300000000, -0.0005951400000000 ] - [ -0.0007406100000000, 0.0000440400000000, -0.0001308100000000 ] - [ -0.0000051300000000, -0.0001988500000000, -0.0000872800000000 ] - [ 0.0003360000000000, -0.0006267700000000, -0.0001272200000000 ] - [ -0.0000562700000000, -0.0004727000000000, -0.0001126000000000 ] - [ 0.0004252500000000, 0.0000441300000000, 0.0004276200000000 ] - [ 0.0000110100000000, 0.0039394500000000, -0.0001010800000000 ] - [ -0.0006733200000000, 0.0000374600000000, -0.0023930600000000 ] - [ 0.0002395300000000, 0.0000162000000000, 0.0000246000000000 ] - [ -0.0002343100000000, -0.0003029600000000, -0.0008809200000000 ] - [ -0.0001295100000000, 0.0000813800000000, 0.0007365700000000 ] - [ 0.0003837700000000, -0.0001638400000000, -0.0001134500000000 ] - [ 0.0000024000000000, -0.0004097100000000, 0.0004735600000000 ] - [ 0.0000131600000000, 0.0000607700000000, 0.0003847100000000 ] - [ -0.0001227600000000, -0.0001181300000000, 0.0007424700000000 ] - [ 0.0000276900000000, -0.0000331500000000, 0.0002771800000000 ] - [ -0.0001929600000000, 0.0001649200000000, 0.0001598300000000 ] - [ -0.0002806000000000, -0.0000705700000000, -0.0003778200000000 ] - [ 0.0019273200000000, 0.0034465300000000, -0.0067817400000000 ] - [ 0.0000133400000000, -0.0000262900000000, 0.0004086400000000 ] - [ 0.0001210700000000, -0.0002664300000000, -0.0003846200000000 ] - [ -0.0000368200000000, 0.0000043000000000, 0.0004313600000000 ] - [ -0.0000182200000000, 0.0004652300000000, -0.0004173300000000 ] - [ 0.0001264700000000, -0.0000296900000000, 0.0003358400000000 ] - [ 0.0006044600000000, -0.0002526400000000, -0.0001615500000000 ] - [ -0.0001643800000000, 0.0000553500000000, 0.0003388200000000 ] - [ 0.0000214400000000, 0.0000200900000000, 0.0004312900000000 ] - [ -0.0005177500000000, 0.0003299800000000, -0.0002092800000000 ] - [ 0.0004139200000000, -0.0002090100000000, -0.0004182700000000 ] - [ -0.0000106500000000, -0.0000685500000000, -0.0003396800000000 ] - [ -0.0002368900000000, -0.0006880600000000, 0.0011966300000000 ] - [ 0.0006270600000000, 0.0016605400000000, -0.0030530200000000 ] - [ 0.0002369600000000, 0.0001255800000000, 0.0001591600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000372900000000, 0.0001851400000000, 0.0001950800000000 ] - [ 0.0001356000000000, 0.0001049500000000, 0.0001361800000000 ] - [ -0.0000230100000000, 0.0000762800000000, 0.0001483400000000 ] - [ -0.0002818700000000, -0.0002736200000000, 0.0002611500000000 ] - [ -0.0000672400000000, 0.0003342000000000, -0.0000991300000000 ] - [ 0.0000191300000000, 0.0005818600000000, 0.0004226000000000 ] - [ 0.0008946700000000, -0.0001405600000000, 0.0005683000000000 ] - [ -0.0000134200000000, -0.0002262000000000, 0.0000542600000000 ] - [ -0.0000481200000000, 0.0001519200000000, 0.0000542300000000 ] - [ 0.0002369100000000, -0.0002141400000000, -0.0005169200000000 ] - [ -0.0001155500000000, 0.0001404100000000, 0.0000633300000000 ] - [ -0.0001677400000000, -0.0003532000000000, -0.0002409800000000 ] - [ -0.0360332700000000, 0.0025041800000000, 0.0029581700000000 ] - [ 0.0000232400000000, -0.0000443800000000, 0.0002975400000000 ] - [ -0.0001208000000000, -0.0001144400000000, -0.0000835800000000 ] - [ 0.0000404000000000, -0.0000492300000000, 0.0001614700000000 ] - [ 0.0001319300000000, 0.0000757600000000, -0.0000236000000000 ] - [ 0.0002770300000000, 0.0001509500000000, 0.0003931500000000 ] - [ 0.0003413700000000, -0.0003966500000000, 0.0004508800000000 ] - [ -0.0023336200000000, 0.0002938400000000, -0.0002908400000000 ] - [ 0.0003068800000000, 0.0003046400000000, -0.0000129900000000 ] - [ 0.0001907800000000, 0.0004275900000000, 0.0000308100000000 ] - [ 0.0000443300000000, -0.0001825400000000, 0.0002385900000000 ] - [ 0.0001112100000000, -0.0000005500000000, 0.0001768900000000 ] - [ -0.0013465400000000, -0.0010403300000000, 0.0017226300000000 ] - [ 0.0005424300000000, -0.0004069700000000, -0.0003087500000000 ] - [ 0.0015019700000000, 0.0005411600000000, -0.0001788000000000 ] - [ -0.0000439700000000, -0.0000306200000000, 0.0002310500000000 ] - [ 0.0000948700000000, 0.0001172100000000, 0.0002128100000000 ] - [ -0.0000157400000000, 0.0000548500000000, 0.0003073400000000 ] - [ -0.0013484000000000, -0.0013960600000000, -0.0021353200000000 ] - [ 0.0004621100000000, -0.0000180200000000, -0.0002711000000000 ] - [ 0.0001033600000000, 0.0000368200000000, 0.0002789900000000 ] - [ 0.0000737400000000, -0.0000206100000000, 0.0002572900000000 ] - [ 0.0002288400000000, 0.0001396600000000, -0.0000846200000000 ] - [ -0.0000163200000000, -0.0000599000000000, 0.0000942400000000 ] - [ 0.0001215200000000, 0.0006283600000000, -0.0000307300000000 ] - [ -0.0000848900000000, 0.0001435000000000, -0.0004372800000000 ] - [ -0.0005920300000000, -0.0008319500000000, 0.0005710400000000 ] - [ -0.0000995800000000, -0.0001330900000000, 0.0000822500000000 ] - [ 0.0023552500000000, 0.0019264900000000, -0.0003298700000000 ] - [ 0.0000755200000000, -0.0002200100000000, 0.0001180100000000 ] - [ 0.0006136400000000, -0.0002173000000000, -0.0001823200000000 ] - [ 0.0008520200000000, -0.0002557300000000, 0.0041320200000000 ] - [ 0.0008469800000000, 0.0001360300000000, 0.0006617600000000 ] - [ 0.0001782400000000, -0.0001111700000000, 0.0002217600000000 ] - [ -0.0013982600000000, 0.0002246300000000, -0.0004609300000000 ] - [ -0.0000178500000000, 0.0004944300000000, -0.0004567500000000 ] - [ 0.0001435500000000, 0.0002207900000000, -0.0032798100000000 ] - [ 0.0044782700000000, 0.0037484300000000, -0.0005427400000000 ] - [ -0.0000654800000000, 0.0000134300000000, 0.0002439400000000 ] - [ -0.0002028600000000, 0.0000766100000000, 0.0002675100000000 ] - [ -0.0002766700000000, 0.0001486200000000, 0.0003138100000000 ] - [ -0.0001007400000000, 0.0000544700000000, 0.0000179800000000 ] - [ -0.0000174800000000, -0.0000494000000000, 0.0001156900000000 ] - [ 0.0009373700000000, -0.0000950200000000, -0.0004198900000000 ] - [ 0.0007808100000000, -0.0000573900000000, -0.0008284500000000 ] - [ -0.0002293600000000, -0.0001203400000000, 0.0002496400000000 ] - [ -0.0006807600000000, -0.0006643200000000, -0.0002121600000000 ] - [ 0.0002717900000000, 0.0004332300000000, 0.0003318700000000 ] - [ 0.0002436000000000, -0.0013972700000000, -0.0003188700000000 ] - [ -0.0000919900000000, 0.0000188900000000, -0.0002470800000000 ] - [ 0.0000786600000000, -0.0000184900000000, 0.0000630600000000 ] - [ 0.0001260000000000, -0.0000174300000000, 0.0003555900000000 ] - [ 0.0001375300000000, 0.0004631200000000, 0.0001405200000000 ] - [ -0.0002052700000000, -0.0005238800000000, 0.0001740400000000 ] - [ -0.0012712700000000, 0.0012946800000000, 0.0067967700000000 ] - [ 0.0082429900000000, -0.0113442500000000, -0.0034602800000000 ] - [ -0.0002379600000000, -0.0004036600000000, -0.0004440800000000 ] - [ 0.0000937000000000, 0.0000260600000000, 0.0006121100000000 ] - [ 0.0019073800000000, 0.0009249600000000, 0.0002621300000000 ] - [ 0.0000648000000000, 0.0000219900000000, -0.0002488800000000 ] - [ -0.0010261100000000, 0.0001012000000000, 0.0002239000000000 ] - [ 0.0107044900000000, -0.0042982400000000, 0.0028161200000000 ] - [ -0.0012508700000000, 0.0026921200000000, -0.0028968100000000 ] - [ 0.0007066100000000, -0.0000252100000000, -0.0003077900000000 ] - [ -0.0001425700000000, 0.0000043700000000, 0.0002734800000000 ] - [ 0.0000159400000000, 0.0000154000000000, 0.0003549700000000 ] - [ 0.0009379000000000, 0.0017056400000000, -0.0003726600000000 ] - [ 0.0001198600000000, -0.0002255400000000, 0.0006157200000000 ] - [ -0.0001002100000000, 0.0000128000000000, -0.0003289900000000 ] - [ -0.0000283900000000, -0.0000467800000000, -0.0002483200000000 ] - [ 0.0023364400000000, 0.0004242900000000, -0.0002354900000000 ] - [ -0.0001149100000000, -0.0003373700000000, -0.0003268700000000 ] - [ 0.0000502400000000, -0.0000152100000000, -0.0002415900000000 ] - [ 0.0000058700000000, 0.0000340800000000, -0.0001113700000000 ] - [ -0.0000416900000000, -0.0000152600000000, 0.0001949600000000 ] - [ -0.0008374200000000, -0.0001346800000000, 0.0001802000000000 ] - [ 0.0001214100000000, -0.0001493900000000, 0.0003935100000000 ] - [ 0.0003841000000000, 0.0000074600000000, 0.0002143600000000 ] - [ 0.0000240700000000, -0.0000058100000000, 0.0005183900000000 ] - [ 0.0000541400000000, 0.0004264700000000, -0.0005199200000000 ] - [ 0.0001551700000000, 0.0043538400000000, -0.0002820500000000 ] - [ 0.0029177300000000, -0.0026727800000000, -0.0014400100000000 ] - [ -0.0027685100000000, 0.0001356200000000, -0.0004006600000000 ] - [ -0.0004329000000000, -0.0000667900000000, 0.0000002200000000 ] - [ 0.0001853100000000, -0.0000314800000000, 0.0000316900000000 ] - [ -0.0002180500000000, 0.0001856200000000, 0.0001863100000000 ] - [ 0.0004672700000000, 0.0000018000000000, 0.0003563700000000 ] - [ -0.0006737900000000, 0.0002926500000000, -0.0004530000000000 ] - [ 0.0009474300000000, -0.0011740100000000, -0.0004061500000000 ] - [ -0.0000375800000000, -0.0000655900000000, -0.0001428300000000 ] - [ -0.0000131200000000, 0.0004238300000000, -0.0003093400000000 ] - [ 0.0023210100000000, 0.0012894300000000, -0.0020365100000000 ] - [ -0.0016077800000000, -0.0004222800000000, 0.0009536500000000 ] - [ 0.0003179000000000, 0.0002447700000000, -0.0004178500000000 ] - [ 0.0002806100000000, 0.0001107700000000, 0.0001714500000000 ] - [ -0.0004623100000000, -0.0001583800000000, -0.0001798400000000 ] - [ -0.0013444100000000, 0.0021936000000000, 0.0026917000000000 ] - [ -0.0005124300000000, -0.0012436900000000, 0.0000137200000000 ] - [ -0.0001319800000000, -0.0000012200000000, 0.0002620100000000 ] - [ 0.0000713600000000, -0.0004072600000000, -0.0002454300000000 ] - [ -0.0001058800000000, 0.0000586500000000, -0.0001469600000000 ] - [ 0.0001200400000000, -0.0002341700000000, 0.0009460700000000 ] - [ -0.0000441000000000, 0.0003183100000000, 0.0001656200000000 ] - [ 0.0000904200000000, 0.0004184100000000, 0.0008079400000000 ] - [ -0.0002099000000000, 0.0001136700000000, -0.0004131100000000 ] - [ -0.0007741500000000, -0.0003556500000000, -0.0000065800000000 ] - [ 0.0003624500000000, 0.0000524700000000, -0.0001046300000000 ] - [ 0.0004591000000000, 0.0000224300000000, -0.0002163600000000 ] - [ -0.0006140100000000, -0.0000053900000000, -0.0002562700000000 ] - [ -0.0001535600000000, 0.0000745300000000, 0.0000402600000000 ] - [ -0.0005484000000000, -0.0003942000000000, -0.0002403000000000 ] - [ -0.0001313800000000, -0.0002458500000000, 0.0001988800000000 ] - [ 0.0000621500000000, 0.0000415900000000, -0.0005023100000000 ] - [ -0.0000340800000000, -0.0010483500000000, -0.0001357000000000 ] - [ -0.0000146000000000, -0.0000467100000000, 0.0001530300000000 ] - [ 0.0005125200000000, -0.0008482100000000, 0.0010661300000000 ] - [ -0.0001820400000000, 0.0002612100000000, 0.0001979900000000 ] - [ -0.0001823800000000, 0.0001946000000000, 0.0005022000000000 ] - [ 0.0000775500000000, -0.0001305300000000, -0.0000790600000000 ] - [ -0.0027112900000000, 0.0024376400000000, 0.0000844400000000 ] - [ -0.0002867500000000, -0.0002827100000000, 0.0002206700000000 ] - [ -0.0002879500000000, 0.0004564500000000, 0.0003607500000000 ] - [ -0.0002752600000000, -0.0003867300000000, 0.0000502200000000 ] - [ 0.0000040200000000, 0.0000131600000000, 0.0005053100000000 ] - [ -0.0016713700000000, 0.0007635900000000, -0.0023344600000000 ] - [ -0.0000068700000000, 0.0000707500000000, 0.0002007800000000 ] - [ -0.0041113800000000, 0.0018689000000000, -0.0004119800000000 ] - [ -0.0001332800000000, -0.0001259600000000, -0.0000968400000000 ] - [ 0.0001047600000000, -0.0000077400000000, 0.0001309000000000 ] - [ 0.0000497200000000, 0.0000604300000000, -0.0001124500000000 ] - [ -0.0000609300000000, -0.0000145500000000, -0.0005710400000000 ] - [ -0.0003025300000000, -0.0004858200000000, 0.0003616200000000 ] - [ -0.0010807300000000, -0.0001009400000000, -0.0001799200000000 ] - [ 0.0002790800000000, 0.0000661500000000, 0.0005602100000000 ] - [ -0.0000779000000000, -0.0003339300000000, 0.0001721400000000 ] - [ -0.0009609600000000, -0.0007475700000000, -0.0002952300000000 ] - [ 0.0001613800000000, 0.0001995900000000, -0.0002167800000000 ] - [ -0.0000199500000000, 0.0000039800000000, -0.0000340600000000 ] - [ 0.0001418700000000, -0.0000041400000000, -0.0000640700000000 ] - [ 0.0002576100000000, 0.0003314300000000, -0.0000351600000000 ] - [ 0.0031429600000000, 0.0009025000000000, -0.0007737700000000 ] - [ 0.0007047800000000, -0.0006521100000000, -0.0003734500000000 ] - [ 0.0003365500000000, 0.0009407100000000, -0.0004904900000000 ] - [ 0.0004453600000000, -0.0003498700000000, -0.0004975900000000 ] - [ 0.0024509500000000, -0.0001856900000000, -0.0005041000000000 ] - [ -0.0012380400000000, -0.0001700300000000, -0.0018088500000000 ] - [ 0.0082032400000000, 0.0002160000000000, 0.0011469800000000 ] - [ 0.0015685300000000, -0.0021407500000000, -0.0023206200000000 ] - [ -0.0000275300000000, -0.0000834100000000, 0.0001939400000000 ] - [ 0.0002219800000000, -0.0001207100000000, 0.0001641500000000 ] - [ -0.0000515300000000, 0.0000990000000000, 0.0001294000000000 ] - [ -0.0000133600000000, 0.0000052200000000, 0.0002237000000000 ] - [ -0.0009330400000000, -0.0003671500000000, -0.0003812700000000 ] - [ -0.0002574500000000, -0.0000525200000000, -0.0001069500000000 ] - [ -0.0000884300000000, 0.0003620900000000, 0.0000058200000000 ] - [ 0.0001677100000000, 0.0000073600000000, 0.0001578000000000 ] - [ -0.0002336400000000, -0.0001875600000000, 0.0001800700000000 ] - [ -0.0000627000000000, -0.0000175000000000, -0.0002667200000000 ] - [ -0.0000842500000000, -0.0001166800000000, 0.0001177200000000 ] - [ -0.0009398800000000, -0.0004073700000000, -0.0000536500000000 ] - [ -0.0000472600000000, -0.0000885600000000, 0.0000891400000000 ] - [ -0.0000965600000000, -0.0002962900000000, 0.0000418100000000 ] - [ -0.0002400100000000, 0.0000360800000000, 0.0002765300000000 ] - [ -0.0003237500000000, -0.0000787800000000, -0.0000449200000000 ] - [ -0.0000243800000000, 0.0003165100000000, -0.0006514200000000 ] - [ 0.0003122600000000, -0.0000064900000000, 0.0005551300000000 ] - [ 0.0001268700000000, 0.0002387800000000, 0.0000378100000000 ] - [ 0.0001722600000000, 0.0005094100000000, 0.0000625400000000 ] - [ 0.0000205700000000, 0.0003851900000000, -0.0003270800000000 ] - [ 0.0051058900000000, 0.0020411300000000, -0.0018974600000000 ] - [ 0.0000781400000000, 0.0000048800000000, -0.0000079000000000 ] - [ 0.0026908000000000, -0.0015052000000000, -0.0018393000000000 ] - [ 0.0000935900000000, -0.0002691200000000, 0.0001470500000000 ] - [ -0.0008968900000000, -0.0003060700000000, -0.0002959300000000 ] - [ 0.0001197300000000, 0.0000141100000000, 0.0000794800000000 ] - [ -0.0002171500000000, 0.0002638200000000, 0.0008288700000000 ] - [ -0.0000668700000000, 0.0000801700000000, 0.0000823200000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000163700000000, 0.0002316900000000, 0.0002279700000000 ] - [ -0.0002507700000000, 0.0001255200000000, 0.0002053200000000 ] - [ -0.0000276900000000, 0.0000264900000000, 0.0001274800000000 ] - [ 0.0002976000000000, -0.0000037400000000, -0.0000055100000000 ] - [ -0.0001802500000000, 0.0001084400000000, -0.0003381700000000 ] - [ -0.0002413600000000, -0.0009672900000000, -0.0004305500000000 ] - [ -0.0004411800000000, 0.0001444200000000, -0.0005779800000000 ] - [ -0.0002445400000000, -0.0002197400000000, -0.0004876900000000 ] - [ -0.0000811800000000, 0.0000961500000000, 0.0000579300000000 ] - [ -0.0004714300000000, 0.0006047700000000, 0.0005062300000000 ] - [ 0.0001289900000000, 0.0001503400000000, 0.0001849700000000 ] - [ 0.0000301900000000, -0.0000823600000000, -0.0000036200000000 ] - [ 0.0352995800000000, -0.0029880300000000, -0.0035243300000000 ] - [ 0.0000063600000000, -0.0001136400000000, 0.0002034300000000 ] - [ 0.0005477900000000, 0.0000076900000000, -0.0001695900000000 ] - [ -0.0001613600000000, -0.0001598700000000, 0.0001846100000000 ] - [ 0.0001244200000000, -0.0000601800000000, 0.0003652700000000 ] - [ -0.0000304300000000, 0.0000051300000000, -0.0001464800000000 ] - [ -0.0003714500000000, 0.0006921000000000, -0.0003370600000000 ] - [ 0.0021402100000000, 0.0001140100000000, -0.0003057100000000 ] - [ 0.0001477600000000, -0.0003110700000000, 0.0000011800000000 ] - [ 0.0000774600000000, -0.0003044500000000, 0.0000847800000000 ] - [ 0.0000117200000000, -0.0002476700000000, 0.0001812500000000 ] - [ 0.0000033900000000, 0.0000078800000000, 0.0000988000000000 ] - [ 0.0016370600000000, 0.0010438300000000, -0.0011220000000000 ] - [ -0.0007949900000000, 0.0000283600000000, -0.0002855100000000 ] - [ -0.0016127700000000, -0.0003371900000000, -0.0001588000000000 ] - [ -0.0001073100000000, -0.0000227700000000, 0.0002703600000000 ] - [ 0.0002392400000000, 0.0001376800000000, 0.0002103000000000 ] - [ 0.0000312800000000, 0.0001042600000000, 0.0001898600000000 ] - [ 0.0021144900000000, 0.0013784900000000, 0.0021697200000000 ] - [ 0.0000450300000000, 0.0000252600000000, -0.0001658700000000 ] - [ 0.0000266400000000, 0.0000562300000000, 0.0002185900000000 ] - [ 0.0000584800000000, -0.0000865900000000, 0.0002390500000000 ] - [ 0.0002062800000000, -0.0000363600000000, -0.0001685300000000 ] - [ -0.0002305200000000, -0.0000648600000000, 0.0001573000000000 ] - [ -0.0005049700000000, 0.0000124000000000, 0.0000734500000000 ] - [ -0.0000408700000000, 0.0002837500000000, 0.0001834200000000 ] - [ 0.0002120900000000, 0.0001782800000000, -0.0005312000000000 ] - [ -0.0000335900000000, -0.0000978200000000, 0.0000359900000000 ] - [ -0.0018987300000000, -0.0019021600000000, -0.0002671700000000 ] - [ 0.0001588900000000, 0.0000379600000000, 0.0001300700000000 ] - [ -0.0007246700000000, 0.0000282100000000, -0.0001625400000000 ] - [ -0.0010789000000000, 0.0006494700000000, -0.0041164400000000 ] - [ -0.0008788100000000, -0.0004404200000000, -0.0005613700000000 ] - [ 0.0001587400000000, -0.0001392000000000, 0.0001988900000000 ] - [ 0.0011069000000000, 0.0001510400000000, -0.0001321100000000 ] - [ -0.0002298900000000, -0.0006737500000000, 0.0005654300000000 ] - [ -0.0003860100000000, -0.0000436900000000, 0.0033783700000000 ] - [ -0.0042034500000000, -0.0036925300000000, 0.0002017100000000 ] - [ -0.0000934100000000, 0.0000472600000000, 0.0002527000000000 ] - [ -0.0001819900000000, 0.0000895800000000, 0.0001524700000000 ] - [ 0.0000011900000000, -0.0000359200000000, -0.0000645300000000 ] - [ -0.0002064800000000, 0.0002630000000000, -0.0002694700000000 ] - [ -0.0000462300000000, -0.0000610100000000, 0.0001530300000000 ] - [ -0.0006679400000000, -0.0000206800000000, 0.0005310200000000 ] - [ -0.0010055300000000, -0.0003269600000000, 0.0008271500000000 ] - [ -0.0001710100000000, -0.0000464600000000, 0.0001696800000000 ] - [ 0.0005392700000000, 0.0004235600000000, 0.0008034500000000 ] - [ -0.0004018200000000, -0.0001902200000000, 0.0002620100000000 ] - [ 0.0002184900000000, 0.0013302600000000, -0.0002740800000000 ] - [ -0.0002149700000000, -0.0003553800000000, 0.0000018000000000 ] - [ 0.0002006000000000, 0.0000299100000000, 0.0000492200000000 ] - [ -0.0000731600000000, -0.0000752600000000, 0.0002376500000000 ] - [ -0.0002068400000000, -0.0003488900000000, 0.0000922000000000 ] - [ 0.0002155400000000, 0.0005145900000000, -0.0000112700000000 ] - [ 0.0012934100000000, -0.0012869400000000, -0.0077718100000000 ] - [ -0.0078978000000000, 0.0118098000000000, 0.0033676500000000 ] - [ 0.0002411900000000, 0.0003988900000000, -0.0005564100000000 ] - [ -0.0000934600000000, -0.0000247700000000, 0.0002970800000000 ] - [ -0.0019089600000000, -0.0009194200000000, -0.0009249700000000 ] - [ 0.0001722300000000, 0.0003922100000000, -0.0002146000000000 ] - [ 0.0005552400000000, -0.0001024900000000, -0.0006964700000000 ] - [ -0.0112796800000000, 0.0043930300000000, -0.0029048100000000 ] - [ 0.0012964000000000, -0.0026590200000000, 0.0030558300000000 ] - [ -0.0004722500000000, -0.0003814700000000, -0.0001620400000000 ] - [ 0.0000359500000000, -0.0000051800000000, 0.0003195900000000 ] - [ 0.0000415800000000, 0.0000833900000000, 0.0002437300000000 ] - [ -0.0006535900000000, -0.0021976100000000, 0.0002657600000000 ] - [ 0.0000162000000000, 0.0002227800000000, -0.0003853600000000 ] - [ 0.0001160600000000, -0.0000223000000000, -0.0002532100000000 ] - [ 0.0000135100000000, 0.0000552400000000, -0.0003330600000000 ] - [ -0.0023326500000000, -0.0004197100000000, 0.0009191000000000 ] - [ 0.0000443000000000, 0.0002190500000000, 0.0005595100000000 ] - [ -0.0000518500000000, 0.0000112700000000, 0.0000011800000000 ] - [ -0.0000082500000000, -0.0000370200000000, -0.0001285400000000 ] - [ 0.0000440400000000, 0.0000190400000000, 0.0001334400000000 ] - [ 0.0009550200000000, -0.0000666700000000, 0.0000872100000000 ] - [ 0.0003118200000000, 0.0003298700000000, 0.0001718400000000 ] - [ 0.0002533200000000, -0.0000118100000000, 0.0001955000000000 ] - [ -0.0000247500000000, 0.0000046900000000, 0.0005189000000000 ] - [ 0.0001408700000000, -0.0001520100000000, -0.0001322800000000 ] - [ 0.0000002900000000, -0.0040635100000000, 0.0001783400000000 ] - [ -0.0035154000000000, 0.0029468000000000, 0.0013563800000000 ] - [ 0.0030441600000000, -0.0000066100000000, -0.0001041000000000 ] - [ 0.0004308500000000, 0.0000633000000000, -0.0007879700000000 ] - [ -0.0000998100000000, 0.0000269500000000, 0.0004163400000000 ] - [ -0.0002857400000000, 0.0002105500000000, 0.0001727600000000 ] - [ 0.0006420400000000, 0.0000030700000000, 0.0004320700000000 ] - [ -0.0009911400000000, -0.0003451200000000, -0.0004973800000000 ] - [ -0.0007519100000000, 0.0008884200000000, -0.0002442900000000 ] - [ -0.0000556100000000, -0.0000962600000000, -0.0000635000000000 ] - [ -0.0003254700000000, -0.0003864700000000, -0.0003437700000000 ] - [ -0.0014594100000000, 0.0001104100000000, 0.0010738100000000 ] - [ 0.0013749700000000, 0.0004207200000000, -0.0006846100000000 ] - [ -0.0000402700000000, 0.0002047300000000, 0.0001775400000000 ] - [ 0.0002890300000000, 0.0001289100000000, 0.0001881100000000 ] - [ 0.0003437700000000, 0.0003634500000000, 0.0001830900000000 ] - [ 0.0012035300000000, -0.0024094900000000, -0.0030497800000000 ] - [ 0.0005129600000000, 0.0015492500000000, -0.0005207000000000 ] - [ 0.0000855000000000, 0.0000726900000000, 0.0001847000000000 ] - [ 0.0001595700000000, 0.0000145500000000, -0.0000731100000000 ] - [ 0.0000106900000000, 0.0000908900000000, -0.0000580900000000 ] - [ -0.0001274100000000, 0.0002277800000000, -0.0009647500000000 ] - [ -0.0000332100000000, 0.0002952900000000, 0.0001941800000000 ] - [ -0.0000948000000000, -0.0004205300000000, 0.0008292900000000 ] - [ -0.0002461300000000, -0.0001092500000000, 0.0000950000000000 ] - [ 0.0008891100000000, 0.0005536000000000, 0.0002715000000000 ] - [ -0.0005708800000000, -0.0000602900000000, -0.0002194000000000 ] - [ -0.0003277200000000, -0.0003191600000000, -0.0004314800000000 ] - [ 0.0000869300000000, 0.0000161400000000, 0.0000163200000000 ] - [ 0.0004027300000000, 0.0003888700000000, -0.0002813000000000 ] - [ 0.0002910200000000, 0.0005551800000000, -0.0002693300000000 ] - [ -0.0001884800000000, -0.0003087700000000, 0.0002131400000000 ] - [ 0.0000666500000000, -0.0000355000000000, -0.0000017700000000 ] - [ 0.0001895400000000, 0.0007942300000000, 0.0000355200000000 ] - [ -0.0000646900000000, -0.0001016700000000, 0.0001548600000000 ] - [ -0.0008570400000000, 0.0008163900000000, -0.0017273900000000 ] - [ -0.0001405000000000, 0.0002878800000000, 0.0002120400000000 ] - [ -0.0001931200000000, 0.0000867700000000, 0.0000658000000000 ] - [ 0.0001803600000000, -0.0003553500000000, -0.0001638400000000 ] - [ 0.0029631300000000, -0.0025849700000000, -0.0006001000000000 ] - [ -0.0000706200000000, 0.0000063000000000, 0.0003433000000000 ] - [ -0.0002621200000000, 0.0005062100000000, 0.0004275900000000 ] - [ 0.0001457200000000, 0.0006251800000000, -0.0004153900000000 ] - [ -0.0000043300000000, -0.0000143600000000, 0.0005318800000000 ] - [ 0.0019458700000000, -0.0007673000000000, 0.0019708200000000 ] - [ -0.0000813300000000, 0.0000871300000000, 0.0001033300000000 ] - [ 0.0038596300000000, -0.0020316400000000, -0.0000975700000000 ] - [ 0.0002306300000000, -0.0000607000000000, -0.0002296500000000 ] - [ 0.0000755800000000, 0.0000103600000000, 0.0001730600000000 ] - [ -0.0000489200000000, -0.0000561900000000, 0.0000824900000000 ] - [ 0.0000630000000000, 0.0000175900000000, -0.0003171700000000 ] - [ -0.0002493600000000, -0.0004706400000000, 0.0004265100000000 ] - [ 0.0013221800000000, 0.0000991200000000, 0.0001832100000000 ] - [ 0.0001542700000000, -0.0002520500000000, 0.0000071300000000 ] - [ -0.0000005000000000, -0.0002920500000000, 0.0001872000000000 ] - [ 0.0008413700000000, 0.0005399400000000, 0.0002973100000000 ] - [ -0.0000598800000000, -0.0000257200000000, -0.0001087700000000 ] - [ -0.0000387400000000, -0.0001067200000000, -0.0004715200000000 ] - [ 0.0000354800000000, -0.0000031100000000, -0.0001414800000000 ] - [ -0.0000278700000000, 0.0000646900000000, -0.0002843600000000 ] - [ -0.0031862400000000, -0.0009892300000000, 0.0023515800000000 ] - [ 0.0001600700000000, -0.0007610300000000, -0.0005780400000000 ] - [ 0.0004479600000000, 0.0005192500000000, -0.0004601500000000 ] - [ -0.0001706600000000, -0.0001026400000000, 0.0002581300000000 ] - [ -0.0023139900000000, 0.0004857200000000, -0.0001582600000000 ] - [ -0.0004359500000000, 0.0002146000000000, 0.0008511300000000 ] - [ -0.0075370700000000, -0.0007935100000000, -0.0016390700000000 ] - [ -0.0007790000000000, 0.0006666100000000, 0.0013656800000000 ] - [ -0.0000608900000000, -0.0000589700000000, 0.0001146600000000 ] - [ 0.0003732600000000, -0.0001177800000000, 0.0001953700000000 ] - [ -0.0000327600000000, 0.0000378600000000, 0.0001800500000000 ] - [ -0.0000316400000000, -0.0000843400000000, 0.0002240800000000 ] - [ 0.0009287200000000, 0.0003595200000000, 0.0002859700000000 ] - [ -0.0002898000000000, 0.0000319600000000, -0.0001348500000000 ] - [ 0.0000268300000000, 0.0001019400000000, 0.0005610900000000 ] - [ -0.0000075800000000, -0.0000121700000000, 0.0001524500000000 ] - [ -0.0002688400000000, -0.0001933900000000, 0.0001791400000000 ] - [ 0.0000036500000000, 0.0001319600000000, -0.0002383500000000 ] - [ 0.0000234700000000, -0.0003302700000000, 0.0004471100000000 ] - [ 0.0009815000000000, 0.0003259900000000, 0.0000114900000000 ] - [ -0.0000673800000000, -0.0001105700000000, 0.0000841400000000 ] - [ 0.0000944300000000, 0.0002758700000000, 0.0001202800000000 ] - [ -0.0002239600000000, -0.0000302600000000, 0.0000557600000000 ] - [ 0.0003481400000000, 0.0000337600000000, 0.0001042200000000 ] - [ 0.0000241600000000, -0.0003182500000000, 0.0008092500000000 ] - [ -0.0003622400000000, 0.0000060800000000, -0.0005005900000000 ] - [ 0.0001098300000000, 0.0001700800000000, 0.0002930400000000 ] - [ -0.0001291500000000, -0.0004388700000000, -0.0001118100000000 ] - [ -0.0000039000000000, -0.0003598500000000, -0.0003858300000000 ] - [ -0.0051813900000000, -0.0019747900000000, 0.0017924800000000 ] - [ -0.0000527600000000, 0.0000369200000000, 0.0000643000000000 ] - [ -0.0026483100000000, 0.0015517800000000, 0.0011605000000000 ] - [ 0.0001432400000000, -0.0001298300000000, 0.0001855100000000 ] - [ 0.0009091800000000, 0.0003030400000000, -0.0004226300000000 ] - [ 0.0001172300000000, -0.0000114900000000, 0.0000916000000000 ] - [ 0.0001993500000000, -0.0002762600000000, -0.0006693900000000 ] - [ -0.0000491200000000, 0.0001259500000000, 0.0000886600000000 ]- atom: 13 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0000060300000000, 0.0002575400000000, 0.0002432100000000 ] - [ -0.0001433000000000, 0.0000128800000000, 0.0001608300000000 ] - [ -0.0000167500000000, 0.0000655500000000, 0.0001434600000000 ] - [ 0.0000340000000000, -0.0004579600000000, 0.0002502600000000 ] - [ -0.0000566200000000, 0.0002746100000000, -0.0001724300000000 ] - [ 0.0003495600000000, 0.0002762600000000, 0.0003907600000000 ] - [ -0.0003185200000000, 0.0000661800000000, -0.0005073400000000 ] - [ -0.0001870600000000, -0.0003661000000000, -0.0003238500000000 ] - [ -0.0000386800000000, 0.0001471000000000, 0.0000586300000000 ] - [ -0.0005898400000000, 0.0006863800000000, 0.0005866300000000 ] - [ 0.0000660700000000, 0.0001878500000000, -0.0001042000000000 ] - [ -0.0001214100000000, -0.0001242700000000, 0.0001249400000000 ] - [ 0.0201214900000000, -0.0305837600000000, 0.0023093900000000 ] - [ 0.0000375300000000, -0.0000566700000000, 0.0002883500000000 ] - [ 0.0001530500000000, -0.0001070500000000, -0.0004402700000000 ] - [ -0.0001093900000000, -0.0000161900000000, 0.0001384600000000 ] - [ 0.0001766700000000, -0.0000927400000000, 0.0001098800000000 ] - [ 0.0002691100000000, 0.0000011000000000, 0.0003033300000000 ] - [ -0.0004807700000000, 0.0008244400000000, -0.0004150300000000 ] - [ 0.0009532100000000, 0.0057397800000000, -0.0002278100000000 ] - [ 0.0003694400000000, 0.0003935000000000, -0.0000426600000000 ] - [ 0.0002440400000000, 0.0005098400000000, 0.0000907300000000 ] - [ 0.0000492000000000, -0.0001851600000000, 0.0002332400000000 ] - [ 0.0000318400000000, 0.0000006500000000, 0.0001147400000000 ] - [ 0.0001275800000000, 0.0002147700000000, -0.0029191800000000 ] - [ -0.0005815700000000, 0.0003212300000000, -0.0003176800000000 ] - [ -0.0012243100000000, -0.0005687500000000, -0.0001772800000000 ] - [ -0.0000730800000000, -0.0000648900000000, 0.0002703300000000 ] - [ 0.0001667800000000, 0.0001169500000000, 0.0002634500000000 ] - [ 0.0000132500000000, 0.0000194300000000, 0.0002494400000000 ] - [ -0.0000026700000000, 0.0006495600000000, 0.0043553600000000 ] - [ 0.0001269700000000, -0.0000089500000000, -0.0000802800000000 ] - [ 0.0000440700000000, 0.0000510000000000, 0.0002413700000000 ] - [ 0.0000809700000000, -0.0000251900000000, 0.0002428000000000 ] - [ 0.0003050100000000, 0.0001467300000000, -0.0000304900000000 ] - [ -0.0001419600000000, 0.0000368800000000, 0.0001085700000000 ] - [ 0.0000170200000000, 0.0004807100000000, 0.0000255600000000 ] - [ 0.0000561600000000, -0.0001166500000000, -0.0000827500000000 ] - [ -0.0004268800000000, 0.0005121800000000, -0.0006872300000000 ] - [ -0.0000879600000000, -0.0000895100000000, 0.0000344800000000 ] - [ 0.0008579800000000, -0.0010655300000000, -0.0004386000000000 ] - [ 0.0000262900000000, 0.0000848700000000, 0.0000810500000000 ] - [ -0.0005795400000000, 0.0003732800000000, -0.0001872400000000 ] - [ -0.0009579100000000, -0.0015941400000000, -0.0024822800000000 ] - [ -0.0002231600000000, -0.0009642600000000, -0.0004801800000000 ] - [ 0.0001900000000000, -0.0001107700000000, 0.0002142500000000 ] - [ 0.0004843400000000, 0.0029474700000000, -0.0003093600000000 ] - [ 0.0003889700000000, 0.0003335900000000, -0.0004898500000000 ] - [ -0.0002761700000000, -0.0018230200000000, 0.0015876900000000 ] - [ 0.0013340500000000, -0.0018885100000000, -0.0001557700000000 ] - [ -0.0001063600000000, 0.0000584500000000, 0.0002743800000000 ] - [ -0.0001660100000000, 0.0000146000000000, 0.0002056800000000 ] - [ -0.0001481100000000, 0.0002242900000000, 0.0003845200000000 ] - [ -0.0002893300000000, 0.0003402700000000, -0.0002079400000000 ] - [ -0.0000476900000000, -0.0000947900000000, 0.0001700300000000 ] - [ -0.0005080700000000, -0.0000478600000000, 0.0004582700000000 ] - [ -0.0004334600000000, -0.0008166700000000, 0.0006582900000000 ] - [ -0.0002010400000000, -0.0000662800000000, 0.0001857400000000 ] - [ -0.0002310100000000, 0.0007410900000000, 0.0009006500000000 ] - [ 0.0002196000000000, 0.0003515900000000, 0.0002845900000000 ] - [ -0.0001626100000000, 0.0015625100000000, -0.0003036300000000 ] - [ -0.0000193300000000, -0.0000200000000000, -0.0002510900000000 ] - [ 0.0001344400000000, -0.0000271900000000, 0.0001065100000000 ] - [ 0.0000029100000000, -0.0000720900000000, 0.0003364700000000 ] - [ 0.0002337900000000, 0.0004151200000000, 0.0001241400000000 ] - [ -0.0008357100000000, 0.0021591300000000, 0.0006789200000000 ] - [ 0.0017690600000000, -0.0004442800000000, 0.0066306400000000 ] - [ -0.0089751400000000, 0.0079674800000000, 0.0025891100000000 ] - [ -0.0005955500000000, 0.0018111300000000, -0.0011064200000000 ] - [ -0.0000238200000000, -0.0000283300000000, 0.0004999400000000 ] - [ -0.0007690000000000, -0.0008657500000000, -0.0002987900000000 ] - [ -0.0000455700000000, 0.0007830400000000, -0.0002984700000000 ] - [ 0.0001902800000000, -0.0005958200000000, 0.0001132800000000 ] - [ -0.0143650500000000, 0.0014834100000000, -0.0038877300000000 ] - [ 0.0031210100000000, 0.0005879400000000, -0.0027974400000000 ] - [ -0.0000005000000000, -0.0003335200000000, -0.0002493700000000 ] - [ -0.0000019700000000, -0.0000750700000000, 0.0002526100000000 ] - [ 0.0000018800000000, 0.0001496200000000, 0.0003424700000000 ] - [ 0.0014309000000000, 0.0014169600000000, -0.0003481000000000 ] - [ -0.0001429400000000, -0.0002081800000000, -0.0003545500000000 ] - [ 0.0000763900000000, -0.0000903700000000, -0.0003491900000000 ] - [ -0.0000337700000000, 0.0001266600000000, -0.0002284900000000 ] - [ -0.0004040300000000, -0.0004487100000000, 0.0002077900000000 ] - [ -0.0002485200000000, -0.0001364100000000, 0.0006053500000000 ] - [ -0.0000378600000000, 0.0000360600000000, -0.0002349800000000 ] - [ 0.0000101500000000, -0.0000683600000000, -0.0000788600000000 ] - [ 0.0000213300000000, 0.0000195100000000, 0.0001744100000000 ] - [ 0.0003784600000000, 0.0002548900000000, 0.0001376100000000 ] - [ 0.0000522500000000, -0.0001174600000000, 0.0004022800000000 ] - [ 0.0002913200000000, 0.0000210600000000, 0.0002196300000000 ] - [ -0.0000169800000000, 0.0000184600000000, 0.0005301000000000 ] - [ 0.0001281600000000, -0.0007923600000000, -0.0001632600000000 ] - [ 0.0015283600000000, -0.0024466100000000, -0.0000790300000000 ] - [ -0.0026900000000000, 0.0064344300000000, 0.0018937500000000 ] - [ 0.0037117400000000, 0.0022113800000000, -0.0002318100000000 ] - [ 0.0000355900000000, 0.0000701800000000, -0.0002755700000000 ] - [ -0.0000523000000000, 0.0001046900000000, 0.0000654200000000 ] - [ -0.0002781300000000, 0.0002637200000000, 0.0001976900000000 ] - [ 0.0005705700000000, 0.0000065900000000, 0.0003861900000000 ] - [ -0.0003813800000000, -0.0005832700000000, -0.0002941300000000 ] - [ -0.0008647000000000, -0.0000479700000000, 0.0009396400000000 ] - [ -0.0000304400000000, -0.0001390500000000, -0.0001361600000000 ] - [ 0.0002546800000000, -0.0007304500000000, -0.0003793200000000 ] - [ -0.0000096600000000, 0.0025801400000000, -0.0020396000000000 ] - [ -0.0001437900000000, 0.0004053500000000, 0.0000699000000000 ] - [ 0.0000774100000000, 0.0003902400000000, -0.0003760400000000 ] - [ 0.0002874900000000, 0.0000955000000000, 0.0001795200000000 ] - [ -0.0001519300000000, 0.0002477500000000, -0.0000279500000000 ] - [ 0.0014395700000000, -0.0014795400000000, -0.0023534800000000 ] - [ -0.0009184200000000, -0.0009974600000000, -0.0000359800000000 ] - [ 0.0000081600000000, 0.0000638400000000, 0.0002280300000000 ] - [ 0.0000431200000000, -0.0003632500000000, -0.0002153000000000 ] - [ -0.0000379800000000, 0.0000889700000000, -0.0001314300000000 ] - [ -0.0003269000000000, -0.0001288200000000, 0.0010176000000000 ] - [ -0.0000012000000000, 0.0002424100000000, 0.0001701300000000 ] - [ 0.0002015200000000, -0.0009605400000000, 0.0012144000000000 ] - [ -0.0001112100000000, 0.0001345600000000, 0.0001348600000000 ] - [ 0.0003686600000000, 0.0002030700000000, 0.0003243500000000 ] - [ -0.0003513600000000, 0.0001900300000000, -0.0004613300000000 ] - [ 0.0004612400000000, -0.0016403500000000, -0.0011182400000000 ] - [ -0.0001446000000000, 0.0000109100000000, -0.0000788300000000 ] - [ 0.0001629700000000, 0.0003793800000000, -0.0001725200000000 ] - [ -0.0008763400000000, -0.0004647400000000, -0.0003175700000000 ] - [ -0.0001589000000000, -0.0003213700000000, 0.0002030900000000 ] - [ 0.0001081800000000, 0.0000388100000000, -0.0000199100000000 ] - [ -0.0001130000000000, -0.0007235000000000, -0.0000708700000000 ] - [ -0.0000436000000000, -0.0001349600000000, 0.0001016500000000 ] - [ -0.0016091900000000, 0.0002432600000000, -0.0004667600000000 ] - [ -0.0001666800000000, 0.0002661500000000, 0.0002019200000000 ] - [ -0.0000704100000000, 0.0001459500000000, 0.0001233900000000 ] - [ 0.0003009700000000, -0.0005378800000000, -0.0002522600000000 ] - [ 0.0038414600000000, -0.0025825700000000, -0.0003325200000000 ] - [ -0.0003358700000000, -0.0002776600000000, 0.0002001000000000 ] - [ -0.0002802200000000, 0.0004771400000000, 0.0003880200000000 ] - [ -0.0003929200000000, -0.0003118100000000, 0.0000142400000000 ] - [ 0.0000051300000000, -0.0000289600000000, 0.0005031900000000 ] - [ 0.0026959400000000, -0.0000905000000000, 0.0026350800000000 ] - [ -0.0000773500000000, 0.0001568900000000, 0.0001623900000000 ] - [ 0.0034852600000000, -0.0012928700000000, 0.0001361500000000 ] - [ 0.0000020100000000, -0.0000947100000000, -0.0001483400000000 ] - [ 0.0000992200000000, -0.0000326700000000, 0.0001177500000000 ] - [ 0.0001675000000000, -0.0003903400000000, -0.0004272600000000 ] - [ 0.0000114700000000, 0.0000191500000000, -0.0004754900000000 ] - [ -0.0002609800000000, -0.0004419800000000, 0.0003877300000000 ] - [ 0.0007123900000000, 0.0001277200000000, -0.0000774800000000 ] - [ 0.0002952900000000, -0.0000146200000000, 0.0000360100000000 ] - [ -0.0000270100000000, -0.0002752400000000, 0.0001786900000000 ] - [ 0.0003560300000000, 0.0005944600000000, 0.0000664200000000 ] - [ 0.0000563300000000, -0.0002185400000000, -0.0000202000000000 ] - [ 0.0000044300000000, -0.0000370800000000, -0.0004929900000000 ] - [ 0.0000610300000000, 0.0000418200000000, -0.0000497100000000 ] - [ 0.0002570500000000, 0.0002172300000000, -0.0004366600000000 ] - [ -0.0007813700000000, 0.0031618400000000, -0.0007440100000000 ] - [ 0.0007230600000000, -0.0017466000000000, -0.0002042800000000 ] - [ 0.0003107400000000, -0.0001103800000000, -0.0002546600000000 ] - [ -0.0000191000000000, 0.0002009200000000, -0.0000527700000000 ] - [ -0.0014779500000000, 0.0020172200000000, -0.0006847900000000 ] - [ -0.0026268900000000, 0.0003879800000000, -0.0022835800000000 ] - [ -0.0048666600000000, 0.0014758500000000, -0.0013038600000000 ] - [ 0.0004197600000000, -0.0011764300000000, -0.0017704900000000 ] - [ -0.0000620400000000, -0.0000607500000000, 0.0002018400000000 ] - [ 0.0003121900000000, -0.0001181300000000, 0.0001711200000000 ] - [ -0.0000051500000000, 0.0000014500000000, 0.0001556100000000 ] - [ 0.0000035900000000, -0.0001494200000000, 0.0002666700000000 ] - [ 0.0003744200000000, 0.0003428300000000, -0.0000475700000000 ] - [ -0.0001956800000000, -0.0001879900000000, -0.0000442800000000 ] - [ 0.0000162100000000, 0.0004174900000000, 0.0004125800000000 ] - [ 0.0000522000000000, 0.0000244200000000, 0.0002114100000000 ] - [ -0.0002593100000000, -0.0001764400000000, 0.0001881400000000 ] - [ -0.0000797700000000, -0.0000087500000000, -0.0002550600000000 ] - [ 0.0000162000000000, -0.0001905400000000, 0.0005093600000000 ] - [ 0.0003360200000000, 0.0002676000000000, 0.0000364100000000 ] - [ -0.0000458500000000, -0.0000972600000000, 0.0000840200000000 ] - [ -0.0002021900000000, -0.0002263900000000, 0.0000394100000000 ] - [ -0.0002001500000000, 0.0000347300000000, 0.0000385400000000 ] - [ -0.0000266200000000, 0.0000409300000000, -0.0000021400000000 ] - [ 0.0003328000000000, -0.0001100400000000, 0.0007734500000000 ] - [ -0.0002267800000000, 0.0003171400000000, 0.0005921200000000 ] - [ 0.0001498500000000, 0.0002263400000000, 0.0002741300000000 ] - [ 0.0001909100000000, -0.0010155200000000, -0.0000869600000000 ] - [ 0.0001874100000000, -0.0008436400000000, -0.0003486300000000 ] - [ -0.0008058800000000, 0.0059216500000000, -0.0022254600000000 ] - [ 0.0001222200000000, -0.0002975400000000, -0.0000411400000000 ] - [ -0.0028483700000000, 0.0021218500000000, -0.0015480700000000 ] - [ 0.0000697300000000, -0.0002505300000000, 0.0001541900000000 ] - [ 0.0003798000000000, 0.0003129800000000, -0.0003817500000000 ] - [ 0.0001221200000000, 0.0000156100000000, 0.0000930700000000 ] - [ 0.0002972900000000, 0.0001141100000000, -0.0007575300000000 ] - [ -0.0000746500000000, 0.0000849700000000, 0.0000879600000000 ]- atom: 13 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000591400000000, 0.0001611100000000, 0.0001841200000000 ] - [ 0.0000289700000000, 0.0002161800000000, 0.0001782500000000 ] - [ -0.0000336300000000, 0.0000363600000000, 0.0001314400000000 ] - [ -0.0000179500000000, 0.0001801800000000, 0.0000074900000000 ] - [ -0.0001912300000000, 0.0001680200000000, -0.0002687000000000 ] - [ -0.0005693000000000, -0.0006640400000000, -0.0003989000000000 ] - [ 0.0007726200000000, -0.0000602700000000, 0.0004968600000000 ] - [ -0.0000714100000000, -0.0000806400000000, -0.0001141800000000 ] - [ -0.0000910800000000, 0.0001017200000000, 0.0000499900000000 ] - [ 0.0003536300000000, -0.0002972500000000, -0.0005967800000000 ] - [ -0.0000524800000000, 0.0001022100000000, 0.0003538700000000 ] - [ -0.0000159100000000, -0.0003113900000000, -0.0003714100000000 ] - [ -0.0202969600000000, 0.0297814600000000, -0.0028706400000000 ] - [ -0.0000082300000000, -0.0001012100000000, 0.0002124700000000 ] - [ 0.0002737500000000, 0.0000007900000000, 0.0001843200000000 ] - [ -0.0000107200000000, -0.0001919500000000, 0.0002045000000000 ] - [ 0.0000788100000000, 0.0001078300000000, 0.0002300700000000 ] - [ -0.0000219600000000, 0.0001551100000000, -0.0000523000000000 ] - [ 0.0004497500000000, -0.0005300100000000, 0.0005296700000000 ] - [ -0.0011289000000000, -0.0052514300000000, -0.0003635300000000 ] - [ 0.0000839800000000, -0.0004022300000000, 0.0000311800000000 ] - [ 0.0000236300000000, -0.0003876200000000, 0.0000257500000000 ] - [ 0.0000062400000000, -0.0002469800000000, 0.0001909300000000 ] - [ 0.0000820300000000, 0.0000063200000000, 0.0001605100000000 ] - [ 0.0001608700000000, -0.0002137400000000, 0.0034873300000000 ] - [ 0.0003304500000000, -0.0006980700000000, -0.0002728500000000 ] - [ 0.0011124900000000, 0.0007770300000000, -0.0001579600000000 ] - [ -0.0000773100000000, 0.0000111200000000, 0.0002312200000000 ] - [ 0.0001693000000000, 0.0001379300000000, 0.0001640300000000 ] - [ 0.0000019600000000, 0.0001388900000000, 0.0002480900000000 ] - [ 0.0007572400000000, -0.0006692400000000, -0.0042875100000000 ] - [ 0.0003810100000000, 0.0000154800000000, -0.0003616400000000 ] - [ 0.0000857600000000, 0.0000412800000000, 0.0002564300000000 ] - [ 0.0000509900000000, -0.0000816600000000, 0.0002533900000000 ] - [ 0.0001301900000000, -0.0000433500000000, -0.0002249900000000 ] - [ -0.0001050900000000, -0.0001614700000000, 0.0001466400000000 ] - [ -0.0003988800000000, 0.0001618300000000, 0.0000160900000000 ] - [ -0.0001817500000000, 0.0005426300000000, -0.0001741700000000 ] - [ 0.0000491600000000, -0.0011680800000000, 0.0007305100000000 ] - [ -0.0000456100000000, -0.0001419100000000, 0.0000806600000000 ] - [ -0.0003772100000000, 0.0011123400000000, -0.0001524700000000 ] - [ 0.0002086900000000, -0.0002672600000000, 0.0001696400000000 ] - [ 0.0004650000000000, -0.0005689600000000, -0.0001558800000000 ] - [ 0.0007264200000000, 0.0020038900000000, 0.0024702800000000 ] - [ 0.0001925700000000, 0.0006589900000000, 0.0005848300000000 ] - [ 0.0001490300000000, -0.0001400800000000, 0.0002105200000000 ] - [ -0.0007839300000000, -0.0026034500000000, -0.0002818800000000 ] - [ -0.0006346900000000, -0.0005153400000000, 0.0005972900000000 ] - [ 0.0000318100000000, 0.0020071800000000, -0.0014690300000000 ] - [ -0.0011201300000000, 0.0018872200000000, -0.0001774300000000 ] - [ -0.0000516100000000, 0.0000018900000000, 0.0002226200000000 ] - [ -0.0002200400000000, 0.0001528900000000, 0.0002188600000000 ] - [ -0.0001275700000000, -0.0001113400000000, -0.0001320700000000 ] - [ -0.0000175400000000, -0.0000226400000000, -0.0000462400000000 ] - [ -0.0000157500000000, -0.0000158700000000, 0.0000985500000000 ] - [ 0.0007783700000000, -0.0000668400000000, -0.0003455300000000 ] - [ 0.0002116700000000, 0.0004302800000000, -0.0006638700000000 ] - [ -0.0002003800000000, -0.0001024600000000, 0.0002383400000000 ] - [ 0.0000888500000000, -0.0009861900000000, -0.0003223000000000 ] - [ -0.0003508300000000, -0.0001043000000000, 0.0002995900000000 ] - [ 0.0006244000000000, -0.0016313200000000, -0.0002857500000000 ] - [ -0.0002878800000000, -0.0003154500000000, 0.0000031300000000 ] - [ 0.0001463800000000, 0.0000383100000000, 0.0000029500000000 ] - [ 0.0000484500000000, -0.0000183000000000, 0.0002520000000000 ] - [ -0.0003019500000000, -0.0003021600000000, 0.0001135700000000 ] - [ 0.0008437900000000, -0.0021595200000000, -0.0005102800000000 ] - [ -0.0017711800000000, 0.0004652900000000, -0.0075941700000000 ] - [ 0.0093438000000000, -0.0074408100000000, -0.0026804400000000 ] - [ 0.0005976000000000, -0.0018104100000000, 0.0001106100000000 ] - [ 0.0000240600000000, 0.0000293400000000, 0.0003975100000000 ] - [ 0.0007646600000000, 0.0008665500000000, -0.0003775600000000 ] - [ 0.0002804900000000, -0.0003730500000000, -0.0001663700000000 ] - [ -0.0006542700000000, 0.0005928600000000, -0.0005883100000000 ] - [ 0.0137423800000000, -0.0014390700000000, 0.0038013200000000 ] - [ -0.0031257700000000, -0.0005268000000000, 0.0029573500000000 ] - [ 0.0002341200000000, -0.0000692900000000, -0.0002234300000000 ] - [ -0.0001013300000000, 0.0000739300000000, 0.0003356800000000 ] - [ 0.0000538100000000, -0.0000533500000000, 0.0002511300000000 ] - [ -0.0011498600000000, -0.0019076000000000, 0.0002444400000000 ] - [ 0.0002763100000000, 0.0002040200000000, 0.0005899300000000 ] - [ -0.0000606400000000, 0.0000809600000000, -0.0002456100000000 ] - [ 0.0000190700000000, -0.0001181600000000, -0.0003651700000000 ] - [ 0.0003981200000000, 0.0004511800000000, 0.0004941300000000 ] - [ 0.0001788800000000, 0.0000209900000000, -0.0003676300000000 ] - [ 0.0000364100000000, -0.0000402800000000, -0.0000057200000000 ] - [ -0.0000125700000000, 0.0000650600000000, -0.0001610600000000 ] - [ -0.0000188400000000, -0.0000158400000000, 0.0001542300000000 ] - [ -0.0002594900000000, -0.0004551900000000, 0.0001184200000000 ] - [ 0.0003742800000000, 0.0002958300000000, 0.0001479800000000 ] - [ 0.0003357700000000, -0.0000257200000000, 0.0002034400000000 ] - [ 0.0000162600000000, -0.0000197300000000, 0.0005332200000000 ] - [ 0.0000682100000000, 0.0010659600000000, -0.0004873500000000 ] - [ -0.0013958900000000, 0.0027161800000000, -0.0000122000000000 ] - [ 0.0018698800000000, -0.0060141800000000, -0.0019526700000000 ] - [ -0.0034243700000000, -0.0020484500000000, -0.0002681500000000 ] - [ -0.0000356100000000, -0.0000733900000000, -0.0005410400000000 ] - [ 0.0001352800000000, -0.0001091300000000, 0.0003843300000000 ] - [ -0.0002230400000000, 0.0001261900000000, 0.0001759400000000 ] - [ 0.0005365600000000, -0.0000018400000000, 0.0004160700000000 ] - [ -0.0012808100000000, 0.0005304300000000, -0.0006708600000000 ] - [ 0.0010773100000000, -0.0002457300000000, -0.0016023400000000 ] - [ -0.0000617600000000, -0.0000214800000000, -0.0000633600000000 ] - [ -0.0005973700000000, 0.0007663300000000, -0.0002736700000000 ] - [ 0.0008761800000000, -0.0011835500000000, 0.0010603400000000 ] - [ -0.0000809800000000, -0.0004045700000000, 0.0001836000000000 ] - [ 0.0001936700000000, 0.0000556000000000, 0.0001308300000000 ] - [ 0.0002771100000000, 0.0001447600000000, 0.0001950400000000 ] - [ 0.0000301300000000, -0.0000343300000000, 0.0000332100000000 ] - [ -0.0015832000000000, 0.0012462900000000, 0.0019850700000000 ] - [ 0.0009147900000000, 0.0013062700000000, -0.0004629100000000 ] - [ -0.0000534500000000, 0.0000055100000000, 0.0002206000000000 ] - [ 0.0001856700000000, -0.0000260200000000, -0.0001192600000000 ] - [ -0.0000559700000000, 0.0000587400000000, -0.0000677400000000 ] - [ 0.0003248700000000, 0.0001192000000000, -0.0010370300000000 ] - [ -0.0000722100000000, 0.0003657100000000, 0.0002041900000000 ] - [ -0.0002053500000000, 0.0009541200000000, 0.0004173600000000 ] - [ -0.0003411100000000, -0.0001299400000000, -0.0004686300000000 ] - [ -0.0002515300000000, -0.0000044700000000, -0.0000699600000000 ] - [ 0.0001378700000000, -0.0001975800000000, 0.0001277900000000 ] - [ -0.0003273500000000, 0.0013330300000000, 0.0004667800000000 ] - [ -0.0003789300000000, -0.0000039600000000, -0.0001671500000000 ] - [ 0.0000861900000000, 0.0000774300000000, -0.0000732900000000 ] - [ 0.0006195900000000, 0.0006290400000000, -0.0001834700000000 ] - [ -0.0001560300000000, -0.0002248800000000, 0.0002220700000000 ] - [ 0.0000225300000000, -0.0000327300000000, -0.0004878400000000 ] - [ 0.0002717200000000, 0.0004626600000000, -0.0000230300000000 ] - [ -0.0000347900000000, -0.0000119900000000, 0.0002137700000000 ] - [ 0.0012718100000000, -0.0002869400000000, -0.0001779100000000 ] - [ -0.0001508000000000, 0.0002743800000000, 0.0002214100000000 ] - [ -0.0003008600000000, 0.0001302700000000, 0.0004291000000000 ] - [ -0.0000430800000000, 0.0000588200000000, 0.0000036800000000 ] - [ -0.0035787200000000, 0.0024406500000000, -0.0001730300000000 ] - [ -0.0000179600000000, 0.0000057300000000, 0.0003480400000000 ] - [ -0.0002685200000000, 0.0004834000000000, 0.0004139000000000 ] - [ 0.0002628400000000, 0.0005519100000000, -0.0003817300000000 ] - [ -0.0000053900000000, 0.0000274800000000, 0.0005599000000000 ] - [ -0.0024062400000000, 0.0000954500000000, -0.0029913200000000 ] - [ -0.0000095400000000, -0.0000016600000000, 0.0001497400000000 ] - [ -0.0037401600000000, 0.0011178800000000, -0.0006390400000000 ] - [ 0.0000963100000000, -0.0000942500000000, -0.0001857100000000 ] - [ 0.0000791400000000, 0.0000350500000000, 0.0001938800000000 ] - [ -0.0001662000000000, 0.0003925900000000, 0.0003930800000000 ] - [ -0.0000091200000000, -0.0000161400000000, -0.0003973700000000 ] - [ -0.0002900300000000, -0.0005134500000000, 0.0004146800000000 ] - [ -0.0004619900000000, -0.0001283600000000, 0.0000829600000000 ] - [ 0.0001322000000000, -0.0001710500000000, 0.0005152300000000 ] - [ -0.0000474900000000, -0.0003459300000000, 0.0001953700000000 ] - [ -0.0004767400000000, -0.0008074600000000, -0.0000615200000000 ] - [ 0.0000465100000000, 0.0003945500000000, -0.0003141900000000 ] - [ -0.0000639300000000, -0.0000676000000000, -0.0000149200000000 ] - [ 0.0001142300000000, -0.0000493300000000, -0.0001502000000000 ] - [ -0.0000298200000000, 0.0001741100000000, 0.0001016800000000 ] - [ 0.0007307500000000, -0.0032399000000000, 0.0023142400000000 ] - [ 0.0001399400000000, 0.0003314900000000, -0.0007606500000000 ] - [ 0.0004733800000000, 0.0015661600000000, -0.0007112000000000 ] - [ 0.0002875000000000, -0.0006496700000000, -0.0001909500000000 ] - [ 0.0016112700000000, -0.0017140300000000, 0.0000302100000000 ] - [ 0.0009611300000000, -0.0003461300000000, 0.0013121000000000 ] - [ 0.0052843500000000, -0.0019196400000000, 0.0008123900000000 ] - [ 0.0003739500000000, -0.0003002900000000, 0.0007966400000000 ] - [ -0.0000257200000000, -0.0000807400000000, 0.0001142600000000 ] - [ 0.0002766500000000, -0.0001213000000000, 0.0002027900000000 ] - [ -0.0000781200000000, 0.0001334500000000, 0.0001614400000000 ] - [ -0.0000475400000000, 0.0000719100000000, 0.0001823300000000 ] - [ -0.0003753200000000, -0.0003488800000000, -0.0000326800000000 ] - [ -0.0003457300000000, 0.0001708200000000, -0.0002035400000000 ] - [ -0.0000753300000000, 0.0000412300000000, 0.0001384900000000 ] - [ 0.0001065300000000, -0.0000294200000000, 0.0001063600000000 ] - [ -0.0002405800000000, -0.0001987300000000, 0.0001857200000000 ] - [ 0.0000200200000000, 0.0001244800000000, -0.0002529500000000 ] - [ -0.0000745300000000, -0.0002508700000000, 0.0000402500000000 ] - [ -0.0002946600000000, -0.0003536500000000, -0.0000837100000000 ] - [ -0.0000696500000000, -0.0001036700000000, 0.0001110500000000 ] - [ 0.0001993200000000, 0.0002077100000000, 0.0001190400000000 ] - [ -0.0002583200000000, -0.0000288600000000, 0.0002978200000000 ] - [ 0.0000525500000000, -0.0000890700000000, 0.0000394300000000 ] - [ -0.0003348700000000, 0.0001040900000000, -0.0006195900000000 ] - [ 0.0001719000000000, -0.0003168200000000, -0.0005583100000000 ] - [ 0.0000840000000000, 0.0001772900000000, 0.0000609400000000 ] - [ -0.0001457700000000, 0.0010914600000000, 0.0000352600000000 ] - [ -0.0001681500000000, 0.0008746100000000, -0.0003582800000000 ] - [ 0.0007770100000000, -0.0058385400000000, 0.0020860600000000 ] - [ -0.0000950200000000, 0.0003417800000000, 0.0000771600000000 ] - [ 0.0028434100000000, -0.0020755700000000, 0.0008610000000000 ] - [ 0.0001644000000000, -0.0001432900000000, 0.0001824000000000 ] - [ -0.0003675200000000, -0.0003210800000000, -0.0003288400000000 ] - [ 0.0001164100000000, -0.0000131900000000, 0.0001004700000000 ] - [ -0.0003113700000000, -0.0001242800000000, 0.0009125600000000 ] - [ -0.0000421200000000, 0.0001226400000000, 0.0001059000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000042300000000, 0.0002578900000000, 0.0005716700000000 ] - [ -0.0000376400000000, 0.0001144500000000, 0.0003905500000000 ] - [ -0.0000415000000000, 0.0000674700000000, 0.0004884800000000 ] - [ -0.0001007600000000, -0.0003290500000000, 0.0012427000000000 ] - [ 0.0000157600000000, 0.0002091900000000, -0.0000480200000000 ] - [ 0.0003076100000000, 0.0006783600000000, -0.0000814100000000 ] - [ 0.0003489800000000, -0.0000395800000000, -0.0003616800000000 ] - [ 0.0001393000000000, -0.0001985700000000, 0.0000248600000000 ] - [ -0.0000984800000000, 0.0000914100000000, 0.0004218400000000 ] - [ -0.0002271300000000, 0.0002803800000000, -0.0003578500000000 ] - [ 0.0000547900000000, -0.0001120100000000, 0.0005466400000000 ] - [ -0.0001799600000000, 0.0000082900000000, 0.0001523800000000 ] - [ 0.0031241200000000, 0.0046291100000000, -0.0309065200000000 ] - [ 0.0000500700000000, 0.0000054000000000, 0.0006651300000000 ] - [ 0.0006876600000000, -0.0003113100000000, 0.0006712400000000 ] - [ -0.0000558500000000, -0.0000949200000000, 0.0003866000000000 ] - [ -0.0001001400000000, -0.0000731400000000, 0.0005959300000000 ] - [ 0.0004375000000000, 0.0001352400000000, 0.0006645100000000 ] - [ 0.0000250300000000, 0.0001305700000000, -0.0001046600000000 ] - [ -0.0000916400000000, 0.0001223000000000, -0.0028806800000000 ] - [ 0.0001503100000000, -0.0005443200000000, -0.0003406300000000 ] - [ 0.0002074500000000, 0.0005498200000000, -0.0001179700000000 ] - [ 0.0000278600000000, -0.0002162300000000, 0.0006322600000000 ] - [ 0.0000921200000000, 0.0000017600000000, 0.0004987900000000 ] - [ 0.0018092400000000, -0.0026779600000000, 0.0031840500000000 ] - [ -0.0001496800000000, -0.0002156100000000, -0.0008892000000000 ] - [ -0.0000350600000000, 0.0000499600000000, -0.0007678700000000 ] - [ -0.0001149800000000, -0.0000041400000000, 0.0006263700000000 ] - [ 0.0001855000000000, 0.0001380700000000, 0.0006622600000000 ] - [ 0.0000827200000000, 0.0000247800000000, 0.0007203800000000 ] - [ -0.0018453300000000, 0.0037154100000000, 0.0032739600000000 ] - [ 0.0000948600000000, 0.0000395100000000, -0.0000491600000000 ] - [ 0.0000674800000000, 0.0000311800000000, 0.0005953500000000 ] - [ 0.0000572700000000, -0.0000889500000000, 0.0006094700000000 ] - [ 0.0001541200000000, 0.0001594800000000, 0.0000717500000000 ] - [ -0.0001058100000000, -0.0000403000000000, 0.0003154500000000 ] - [ -0.0006593400000000, 0.0000117600000000, -0.0002958200000000 ] - [ -0.0005167900000000, 0.0004944200000000, 0.0006553300000000 ] - [ 0.0003639700000000, -0.0008708200000000, -0.0002737100000000 ] - [ -0.0000171700000000, -0.0001423000000000, 0.0004402000000000 ] - [ 0.0004178100000000, -0.0000618800000000, -0.0021125300000000 ] - [ 0.0000914000000000, -0.0000723200000000, 0.0003192900000000 ] - [ -0.0000282700000000, -0.0000470200000000, -0.0007581500000000 ] - [ 0.0040102000000000, -0.0003975000000000, 0.0026658100000000 ] - [ 0.0005930600000000, -0.0003832700000000, -0.0000859600000000 ] - [ 0.0002124000000000, -0.0001318700000000, 0.0005598900000000 ] - [ -0.0002864700000000, 0.0003075200000000, -0.0021114200000000 ] - [ -0.0006847200000000, -0.0010175500000000, 0.0003636900000000 ] - [ -0.0034694600000000, 0.0002292200000000, 0.0029519800000000 ] - [ -0.0003775500000000, -0.0001608100000000, -0.0028230100000000 ] - [ -0.0000769200000000, 0.0000337900000000, 0.0005938400000000 ] - [ -0.0001933900000000, 0.0001040300000000, 0.0006608700000000 ] - [ -0.0002425100000000, 0.0003586600000000, 0.0006646200000000 ] - [ -0.0000537500000000, 0.0000647700000000, 0.0000820200000000 ] - [ -0.0000584700000000, -0.0000816600000000, 0.0005062800000000 ] - [ 0.0001002500000000, -0.0000252800000000, -0.0001061800000000 ] - [ -0.0009068700000000, 0.0000740300000000, -0.0002962000000000 ] - [ -0.0002202200000000, -0.0001403800000000, 0.0005796800000000 ] - [ -0.0005705200000000, 0.0002977100000000, 0.0001883700000000 ] - [ 0.0003296900000000, 0.0004270600000000, 0.0001479400000000 ] - [ 0.0002636400000000, -0.0000249500000000, -0.0009019400000000 ] - [ -0.0003945500000000, -0.0005838400000000, 0.0003685200000000 ] - [ 0.0000490700000000, 0.0000561800000000, 0.0005353100000000 ] - [ 0.0000317200000000, -0.0000302700000000, 0.0012947800000000 ] - [ -0.0000393900000000, 0.0000375400000000, 0.0009589300000000 ] - [ -0.0005119400000000, 0.0009084600000000, -0.0001401000000000 ] - [ 0.0056062900000000, 0.0095021200000000, 0.0027479800000000 ] - [ -0.0004957900000000, 0.0004954800000000, -0.0034373700000000 ] - [ 0.0005610700000000, -0.0010524900000000, -0.0016969900000000 ] - [ 0.0000582600000000, 0.0000133500000000, 0.0013285000000000 ] - [ 0.0006972400000000, 0.0002544900000000, -0.0016878500000000 ] - [ 0.0002840500000000, -0.0002360600000000, 0.0005934200000000 ] - [ 0.0002088100000000, 0.0009153800000000, 0.0015634000000000 ] - [ -0.0000266900000000, -0.0005495300000000, -0.0038741000000000 ] - [ -0.0065617400000000, -0.0107001000000000, 0.0052150700000000 ] - [ -0.0003369700000000, -0.0002745700000000, 0.0005957600000000 ] - [ -0.0000613500000000, -0.0000255400000000, 0.0016147800000000 ] - [ 0.0000319300000000, 0.0000582100000000, 0.0012970400000000 ] - [ 0.0001411800000000, -0.0002757600000000, -0.0019062000000000 ] - [ 0.0009066600000000, -0.0003397700000000, 0.0011671800000000 ] - [ -0.0000444500000000, -0.0000957100000000, 0.0012318200000000 ] - [ -0.0000243600000000, 0.0000828000000000, 0.0007471200000000 ] - [ -0.0011704300000000, -0.0000323100000000, 0.0003389300000000 ] - [ -0.0007544800000000, 0.0005191400000000, 0.0011659200000000 ] - [ -0.0000438200000000, -0.0000745500000000, -0.0006508500000000 ] - [ -0.0000046000000000, 0.0000281400000000, -0.0003677600000000 ] - [ 0.0000172800000000, 0.0000111000000000, -0.0000917400000000 ] - [ 0.0003570800000000, -0.0002710700000000, 0.0003489200000000 ] - [ 0.0003146200000000, 0.0002694200000000, 0.0000127200000000 ] - [ 0.0001813000000000, 0.0000036300000000, -0.0002605500000000 ] - [ 0.0000061900000000, 0.0000110300000000, -0.0004686100000000 ] - [ 0.0000827500000000, -0.0002793300000000, -0.0000338800000000 ] - [ -0.0003037200000000, -0.0001491900000000, 0.0011251700000000 ] - [ -0.0004864700000000, 0.0006140500000000, 0.0030363700000000 ] - [ 0.0001439900000000, -0.0002402100000000, 0.0009295200000000 ] - [ 0.0002411100000000, 0.0000135100000000, -0.0004930800000000 ] - [ -0.0000456700000000, -0.0001477900000000, -0.0008569300000000 ] - [ -0.0001819300000000, 0.0000746600000000, -0.0002903700000000 ] - [ 0.0004385200000000, -0.0000014600000000, 0.0000524400000000 ] - [ -0.0009784400000000, 0.0001216900000000, -0.0002446500000000 ] - [ 0.0002893500000000, 0.0037481500000000, -0.0000114500000000 ] - [ -0.0000389400000000, -0.0001074200000000, -0.0007625800000000 ] - [ 0.0001412100000000, -0.0001280800000000, -0.0000407600000000 ] - [ -0.0019591700000000, -0.0033616500000000, -0.0035212700000000 ] - [ 0.0009172000000000, 0.0001321800000000, 0.0000851300000000 ] - [ -0.0000387000000000, -0.0001183500000000, -0.0005035000000000 ] - [ 0.0001723000000000, 0.0001209900000000, -0.0001948000000000 ] - [ -0.0004179000000000, 0.0001530700000000, 0.0003064900000000 ] - [ 0.0006495700000000, -0.0002238600000000, 0.0020540700000000 ] - [ -0.0000070200000000, 0.0000398000000000, 0.0007636100000000 ] - [ 0.0000515700000000, 0.0000441000000000, -0.0003550800000000 ] - [ 0.0000772800000000, -0.0003358300000000, -0.0004220500000000 ] - [ -0.0000740800000000, 0.0000654900000000, -0.0007618900000000 ] - [ 0.0011851100000000, 0.0019052900000000, -0.0031356300000000 ] - [ 0.0000193500000000, 0.0002157700000000, -0.0001886400000000 ] - [ -0.0001147000000000, 0.0002147200000000, 0.0016629900000000 ] - [ -0.0008834500000000, 0.0002514500000000, -0.0007809000000000 ] - [ 0.0004055500000000, 0.0003150500000000, 0.0003556700000000 ] - [ -0.0004053400000000, -0.0003820400000000, -0.0009751400000000 ] - [ 0.0004186400000000, -0.0009934000000000, -0.0002255600000000 ] - [ -0.0001821300000000, 0.0000268100000000, -0.0002486700000000 ] - [ 0.0004660800000000, 0.0003585100000000, -0.0004394000000000 ] - [ 0.0000987800000000, 0.0000403000000000, 0.0004831500000000 ] - [ -0.0001116700000000, -0.0001984700000000, -0.0001677800000000 ] - [ -0.0000863300000000, 0.0000562500000000, -0.0009950300000000 ] - [ -0.0000633000000000, 0.0000997000000000, 0.0007054200000000 ] - [ -0.0000842200000000, -0.0002393500000000, -0.0002180900000000 ] - [ 0.0031720600000000, 0.0018950100000000, -0.0000652700000000 ] - [ -0.0001119900000000, 0.0001794400000000, -0.0001654100000000 ] - [ 0.0000710300000000, 0.0000385200000000, 0.0001348600000000 ] - [ 0.0001076000000000, -0.0001576800000000, -0.0002464200000000 ] - [ 0.0001916400000000, 0.0001727400000000, 0.0005058300000000 ] - [ -0.0002795900000000, -0.0002375200000000, 0.0000166800000000 ] - [ -0.0002517500000000, 0.0003977100000000, 0.0000562000000000 ] - [ -0.0001116600000000, 0.0000056700000000, 0.0010548600000000 ] - [ 0.0000008800000000, -0.0000102900000000, -0.0001961600000000 ] - [ -0.0004497500000000, 0.0005936400000000, 0.0022067800000000 ] - [ -0.0000855300000000, 0.0002435700000000, -0.0004196400000000 ] - [ 0.0001743300000000, 0.0000342500000000, 0.0004447200000000 ] - [ 0.0003218900000000, -0.0001354200000000, -0.0004461700000000 ] - [ 0.0002292000000000, -0.0000333600000000, -0.0002050600000000 ] - [ 0.0001001700000000, -0.0001936300000000, 0.0000307500000000 ] - [ -0.0000490900000000, -0.0000081700000000, -0.0010004800000000 ] - [ -0.0002638000000000, -0.0004055300000000, 0.0000520500000000 ] - [ 0.0000210900000000, -0.0000732300000000, 0.0003000900000000 ] - [ 0.0007494800000000, -0.0005343200000000, -0.0003392800000000 ] - [ 0.0000124700000000, -0.0002299600000000, -0.0001979300000000 ] - [ -0.0006354200000000, -0.0003628500000000, 0.0003383300000000 ] - [ -0.0000007200000000, 0.0004285900000000, -0.0004735000000000 ] - [ 0.0000930500000000, -0.0001624100000000, -0.0009983400000000 ] - [ 0.0001102400000000, 0.0000418200000000, -0.0010136700000000 ] - [ 0.0003797500000000, 0.0000983500000000, -0.0004736900000000 ] - [ -0.0000761400000000, -0.0001313900000000, 0.0036526200000000 ] - [ -0.0000162600000000, 0.0003091300000000, -0.0003156500000000 ] - [ 0.0003462000000000, 0.0009959800000000, -0.0002524900000000 ] - [ -0.0000190100000000, -0.0007514400000000, -0.0010120000000000 ] - [ 0.0009529200000000, 0.0013027700000000, 0.0059349700000000 ] - [ -0.0033093100000000, -0.0009730300000000, -0.0010685500000000 ] - [ 0.0006231800000000, -0.0002911800000000, 0.0025902700000000 ] - [ 0.0007079900000000, -0.0034013600000000, -0.0010662900000000 ] - [ -0.0000808500000000, -0.0001337000000000, -0.0003748200000000 ] - [ 0.0001903000000000, -0.0001259300000000, -0.0001888600000000 ] - [ -0.0000975100000000, 0.0001463400000000, -0.0001796400000000 ] - [ -0.0000423500000000, 0.0000378800000000, -0.0003562100000000 ] - [ -0.0001440800000000, -0.0000422600000000, 0.0009278500000000 ] - [ -0.0004640700000000, 0.0002188700000000, -0.0004120200000000 ] - [ -0.0002400800000000, 0.0004117800000000, -0.0000326000000000 ] - [ 0.0002422900000000, 0.0000415800000000, -0.0004156200000000 ] - [ -0.0001725000000000, -0.0000400300000000, -0.0002800100000000 ] - [ -0.0000255800000000, 0.0000677800000000, -0.0008702000000000 ] - [ -0.0002397900000000, -0.0000517300000000, 0.0001322000000000 ] - [ -0.0002543700000000, -0.0000589600000000, 0.0004936500000000 ] - [ -0.0000705400000000, -0.0000881800000000, -0.0003184000000000 ] - [ 0.0001002600000000, 0.0001190200000000, 0.0001420800000000 ] - [ -0.0001224800000000, -0.0000663400000000, -0.0001915000000000 ] - [ -0.0002319600000000, -0.0000362400000000, -0.0000635700000000 ] - [ -0.0006867300000000, 0.0003723000000000, -0.0000520300000000 ] - [ 0.0003418400000000, 0.0005535500000000, -0.0010622100000000 ] - [ -0.0000029500000000, 0.0002781700000000, -0.0001939600000000 ] - [ 0.0001499300000000, -0.0002151000000000, 0.0004923400000000 ] - [ -0.0001279000000000, 0.0003048800000000, 0.0002043500000000 ] - [ -0.0017722500000000, -0.0032275500000000, 0.0070083300000000 ] - [ 0.0001106300000000, -0.0002029500000000, -0.0000648100000000 ] - [ -0.0015200400000000, -0.0019824600000000, 0.0019743500000000 ] - [ 0.0001256300000000, -0.0001975200000000, -0.0001316300000000 ] - [ 0.0003318900000000, -0.0000063100000000, 0.0002071900000000 ] - [ 0.0001221700000000, -0.0000112800000000, -0.0003192000000000 ] - [ 0.0006559100000000, -0.0004841100000000, -0.0001012900000000 ] - [ -0.0000489600000000, 0.0001047700000000, -0.0002955400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000562100000000, 0.0001602100000000, -0.0001445300000000 ] - [ -0.0000773000000000, 0.0001157600000000, -0.0000494100000000 ] - [ -0.0000097200000000, 0.0000360300000000, -0.0002109500000000 ] - [ 0.0001177300000000, 0.0000546500000000, -0.0010012200000000 ] - [ -0.0002646500000000, 0.0002367200000000, -0.0003903000000000 ] - [ -0.0005276700000000, -0.0010624900000000, 0.0000716400000000 ] - [ 0.0001035700000000, 0.0000451400000000, 0.0003471200000000 ] - [ -0.0003975900000000, -0.0002505800000000, -0.0004589100000000 ] - [ -0.0000296100000000, 0.0001534200000000, -0.0003056100000000 ] - [ -0.0000079100000000, 0.0001087200000000, 0.0003429900000000 ] - [ -0.0000421000000000, 0.0004043500000000, -0.0003040500000000 ] - [ 0.0000404500000000, -0.0004446300000000, -0.0003978700000000 ] - [ -0.0033484100000000, -0.0051017600000000, 0.0299009400000000 ] - [ -0.0000202300000000, -0.0001628700000000, -0.0001661400000000 ] - [ -0.0002549100000000, 0.0002026300000000, -0.0009222400000000 ] - [ -0.0000644400000000, -0.0001140100000000, -0.0000415000000000 ] - [ 0.0003583200000000, 0.0000894300000000, -0.0002548600000000 ] - [ -0.0001940100000000, 0.0000203000000000, -0.0004235400000000 ] - [ -0.0000552800000000, 0.0001652100000000, 0.0002204000000000 ] - [ -0.0001026000000000, 0.0002824800000000, 0.0022827500000000 ] - [ 0.0003039500000000, 0.0005334800000000, 0.0003275500000000 ] - [ 0.0000639200000000, -0.0004294700000000, 0.0002329800000000 ] - [ 0.0000260400000000, -0.0002158200000000, -0.0002087300000000 ] - [ 0.0000228900000000, 0.0000055700000000, -0.0002208600000000 ] - [ -0.0015455900000000, 0.0027178800000000, -0.0026087800000000 ] - [ -0.0001032100000000, -0.0001576900000000, 0.0002947100000000 ] - [ -0.0000741400000000, 0.0001557100000000, 0.0004289800000000 ] - [ -0.0000368600000000, -0.0000490600000000, -0.0001273000000000 ] - [ 0.0001507500000000, 0.0001159000000000, -0.0002357400000000 ] - [ -0.0000665100000000, 0.0001340300000000, -0.0002245700000000 ] - [ 0.0025715100000000, -0.0036846700000000, -0.0032040500000000 ] - [ 0.0004148600000000, -0.0000322400000000, -0.0003888600000000 ] - [ 0.0000623700000000, 0.0000618700000000, -0.0000999500000000 ] - [ 0.0000747500000000, -0.0000185400000000, -0.0001153900000000 ] - [ 0.0002832100000000, -0.0000549600000000, -0.0003261200000000 ] - [ -0.0001411200000000, -0.0000842700000000, -0.0000677000000000 ] - [ 0.0002728700000000, 0.0006298500000000, 0.0003361000000000 ] - [ 0.0003866500000000, -0.0000636900000000, -0.0009073400000000 ] - [ -0.0007393500000000, 0.0002151900000000, 0.0003084300000000 ] - [ -0.0001140800000000, -0.0000855000000000, -0.0003182900000000 ] - [ 0.0000554600000000, 0.0001128900000000, 0.0015157300000000 ] - [ 0.0001427400000000, -0.0001094300000000, -0.0000755600000000 ] - [ -0.0000809900000000, -0.0001451000000000, 0.0004115600000000 ] - [ -0.0041887900000000, 0.0007886100000000, -0.0026561900000000 ] - [ -0.0006277400000000, 0.0000801300000000, 0.0001919800000000 ] - [ 0.0001263100000000, -0.0001174700000000, -0.0001357300000000 ] - [ 0.0000020400000000, 0.0000641600000000, 0.0015167400000000 ] - [ 0.0004365800000000, 0.0008367500000000, -0.0002551000000000 ] - [ 0.0032700600000000, -0.0000480700000000, -0.0028623800000000 ] - [ 0.0005895900000000, 0.0001576200000000, 0.0024842300000000 ] - [ -0.0000822200000000, 0.0000270000000000, -0.0000995700000000 ] - [ -0.0001925100000000, 0.0000652100000000, -0.0002365300000000 ] - [ -0.0000315900000000, -0.0002480900000000, -0.0004220200000000 ] - [ -0.0002548900000000, 0.0002551300000000, -0.0003351800000000 ] - [ -0.0000055900000000, -0.0000298600000000, -0.0002351300000000 ] - [ 0.0001697200000000, -0.0000901200000000, 0.0002198200000000 ] - [ 0.0006809800000000, -0.0004558400000000, 0.0002854400000000 ] - [ -0.0001808000000000, -0.0000286200000000, -0.0001554500000000 ] - [ 0.0004340600000000, -0.0005385400000000, 0.0004097000000000 ] - [ -0.0004624400000000, -0.0001846700000000, 0.0004503000000000 ] - [ 0.0001948100000000, -0.0000410100000000, 0.0003086000000000 ] - [ 0.0000843500000000, 0.0002436800000000, -0.0006137000000000 ] - [ 0.0002258700000000, -0.0000442800000000, -0.0004180500000000 ] - [ 0.0000204900000000, -0.0000629000000000, -0.0006972600000000 ] - [ -0.0000311900000000, 0.0000764300000000, -0.0007289800000000 ] - [ 0.0005169500000000, -0.0009129100000000, 0.0002961300000000 ] - [ -0.0056752900000000, -0.0096203900000000, -0.0036849900000000 ] - [ 0.0007471400000000, 0.0000307800000000, 0.0033678100000000 ] - [ -0.0005622900000000, 0.0010530300000000, 0.0006966800000000 ] - [ -0.0000577800000000, -0.0000120000000000, -0.0004135700000000 ] - [ -0.0006968400000000, -0.0002538500000000, 0.0010139000000000 ] - [ -0.0000451600000000, 0.0006486000000000, -0.0010620300000000 ] - [ -0.0006759300000000, -0.0009100800000000, -0.0020351100000000 ] - [ -0.0004921000000000, 0.0005426200000000, 0.0038092900000000 ] - [ 0.0065412200000000, 0.0106807200000000, -0.0050043500000000 ] - [ 0.0005685800000000, -0.0001321500000000, -0.0010718900000000 ] - [ -0.0000455300000000, 0.0000252900000000, -0.0010189900000000 ] - [ 0.0000259100000000, 0.0000407300000000, -0.0006938800000000 ] - [ 0.0001387500000000, -0.0002186900000000, 0.0018064100000000 ] - [ -0.0007787100000000, 0.0003393100000000, -0.0009397400000000 ] - [ 0.0000596000000000, 0.0000853000000000, -0.0018080000000000 ] - [ 0.0000090600000000, -0.0000733800000000, -0.0013231900000000 ] - [ 0.0011710200000000, 0.0000325400000000, 0.0003473700000000 ] - [ 0.0006898300000000, -0.0006424500000000, -0.0009357100000000 ] - [ 0.0000425800000000, 0.0000713700000000, 0.0004119100000000 ] - [ 0.0000020800000000, -0.0000313300000000, 0.0001268800000000 ] - [ -0.0000152500000000, -0.0000071600000000, 0.0004198100000000 ] - [ -0.0002410100000000, 0.0000741100000000, -0.0000851100000000 ] - [ 0.0001179300000000, -0.0000910100000000, 0.0005555800000000 ] - [ 0.0004555100000000, -0.0000082900000000, 0.0006664000000000 ] - [ -0.0000070100000000, -0.0000119200000000, 0.0014951000000000 ] - [ 0.0001123000000000, 0.0005501500000000, -0.0006159100000000 ] - [ 0.0004614000000000, 0.0004047900000000, -0.0012309700000000 ] - [ 0.0001994500000000, -0.0006304700000000, -0.0031557200000000 ] - [ 0.0001089600000000, 0.0003897600000000, -0.0014427900000000 ] - [ -0.0002427600000000, -0.0000162600000000, -0.0002857200000000 ] - [ 0.0001306400000000, 0.0001423900000000, 0.0013018100000000 ] - [ -0.0003228000000000, 0.0003216900000000, 0.0006452700000000 ] - [ 0.0006690400000000, 0.0000064000000000, 0.0007320900000000 ] - [ -0.0006841200000000, -0.0001750900000000, -0.0007048100000000 ] - [ -0.0000883000000000, -0.0040013900000000, -0.0006405300000000 ] - [ -0.0000547700000000, -0.0000543200000000, 0.0005555000000000 ] - [ -0.0004754900000000, 0.0001643400000000, -0.0006087300000000 ] - [ 0.0028598000000000, 0.0048219400000000, 0.0025870300000000 ] - [ -0.0011459900000000, -0.0001310500000000, 0.0001776200000000 ] - [ 0.0003137200000000, 0.0005635900000000, 0.0002658700000000 ] - [ 0.0003964200000000, 0.0001193000000000, 0.0005494600000000 ] - [ 0.0002982900000000, 0.0000534700000000, -0.0003005500000000 ] - [ -0.0007833500000000, -0.0000065700000000, -0.0024415900000000 ] - [ 0.0000091000000000, 0.0002700200000000, -0.0012741400000000 ] - [ -0.0000979900000000, 0.0000279100000000, 0.0008020300000000 ] - [ 0.0001536300000000, -0.0000551400000000, 0.0001064700000000 ] - [ -0.0000209100000000, 0.0000844800000000, 0.0005561100000000 ] - [ -0.0011870600000000, -0.0019078000000000, 0.0031078600000000 ] - [ -0.0000964700000000, 0.0003976600000000, 0.0005436200000000 ] - [ 0.0001119800000000, -0.0002176100000000, -0.0000339000000000 ] - [ 0.0004342200000000, -0.0002495000000000, 0.0004684900000000 ] - [ -0.0002918300000000, -0.0001168200000000, -0.0000922100000000 ] - [ 0.0001964900000000, 0.0003714300000000, 0.0006490300000000 ] - [ -0.0002858200000000, 0.0006941100000000, -0.0004202000000000 ] - [ -0.0003411600000000, -0.0000155500000000, 0.0000131900000000 ] - [ -0.0002169700000000, 0.0001032400000000, 0.0002017500000000 ] - [ -0.0003563700000000, 0.0001219000000000, -0.0009955800000000 ] - [ -0.0002082400000000, -0.0003552000000000, 0.0005752100000000 ] - [ 0.0002160000000000, -0.0000504800000000, 0.0004889100000000 ] - [ 0.0002212500000000, -0.0003560200000000, -0.0008093600000000 ] - [ 0.0000055900000000, 0.0000927400000000, 0.0005254800000000 ] - [ -0.0034775700000000, -0.0019185300000000, -0.0005820700000000 ] - [ -0.0002101600000000, 0.0003694600000000, 0.0005710300000000 ] - [ -0.0004475300000000, 0.0002444400000000, 0.0004346600000000 ] - [ 0.0001482300000000, -0.0003254600000000, 0.0000072100000000 ] - [ 0.0000622700000000, -0.0003084300000000, -0.0010223400000000 ] - [ -0.0000754000000000, -0.0000385200000000, 0.0005508500000000 ] - [ -0.0002979300000000, 0.0005637000000000, 0.0007279500000000 ] - [ -0.0000167000000000, 0.0002335600000000, -0.0014214600000000 ] - [ -0.0000013600000000, 0.0000091400000000, 0.0012224900000000 ] - [ 0.0007203400000000, -0.0005894400000000, -0.0025914500000000 ] - [ -0.0000016700000000, -0.0000877500000000, 0.0007227800000000 ] - [ -0.0004188900000000, -0.0001966000000000, -0.0009568700000000 ] - [ -0.0002241100000000, -0.0000501100000000, 0.0001223800000000 ] - [ -0.0000508600000000, 0.0000354800000000, 0.0005086200000000 ] - [ -0.0000987000000000, 0.0001966800000000, -0.0000592600000000 ] - [ 0.0000507400000000, 0.0000113100000000, 0.0001172700000000 ] - [ -0.0002875700000000, -0.0005492700000000, 0.0007321000000000 ] - [ 0.0002172900000000, 0.0000725000000000, -0.0002936900000000 ] - [ -0.0003215900000000, 0.0003536000000000, 0.0009121000000000 ] - [ -0.0000901200000000, -0.0003953500000000, 0.0005524900000000 ] - [ 0.0005166300000000, 0.0001587900000000, -0.0003320600000000 ] - [ 0.0001003100000000, -0.0002548700000000, 0.0001503600000000 ] - [ -0.0001529300000000, 0.0000610100000000, 0.0004906000000000 ] - [ 0.0000667400000000, -0.0000495100000000, 0.0008091300000000 ] - [ -0.0001531700000000, 0.0002978600000000, 0.0001567700000000 ] - [ 0.0000353700000000, 0.0000606800000000, -0.0020914000000000 ] - [ 0.0008825800000000, -0.0017260500000000, -0.0006356000000000 ] - [ 0.0004384600000000, 0.0004606800000000, -0.0006969700000000 ] - [ 0.0002905900000000, 0.0002979000000000, 0.0007713000000000 ] - [ -0.0009292300000000, -0.0012125500000000, -0.0060657100000000 ] - [ 0.0016608100000000, 0.0010289500000000, 0.0001040900000000 ] - [ -0.0006633100000000, -0.0000068300000000, -0.0031120700000000 ] - [ 0.0000835300000000, 0.0019501900000000, 0.0001017700000000 ] - [ -0.0000058300000000, -0.0000060300000000, 0.0006827900000000 ] - [ 0.0004047000000000, -0.0001127300000000, 0.0005436600000000 ] - [ 0.0000149100000000, -0.0000118100000000, 0.0004890900000000 ] - [ -0.0000035400000000, -0.0001171400000000, 0.0008035600000000 ] - [ 0.0001416100000000, 0.0000377200000000, -0.0010154600000000 ] - [ -0.0000825600000000, -0.0002383700000000, 0.0001724200000000 ] - [ 0.0001793200000000, 0.0000504400000000, 0.0006021900000000 ] - [ -0.0000850000000000, -0.0000454900000000, 0.0007249700000000 ] - [ -0.0003306800000000, -0.0003412100000000, 0.0006350300000000 ] - [ -0.0000332500000000, 0.0000465400000000, 0.0003628400000000 ] - [ 0.0001793100000000, -0.0003954800000000, 0.0004344000000000 ] - [ 0.0002962400000000, -0.0000250000000000, -0.0005387400000000 ] - [ -0.0000436900000000, -0.0001092600000000, 0.0004851400000000 ] - [ -0.0001016500000000, -0.0001386400000000, 0.0000212200000000 ] - [ -0.0003417700000000, 0.0000718900000000, 0.0005238500000000 ] - [ 0.0002571700000000, -0.0000072600000000, 0.0001330500000000 ] - [ 0.0006817700000000, -0.0003723900000000, 0.0002138500000000 ] - [ -0.0003950400000000, -0.0005600400000000, 0.0011342900000000 ] - [ 0.0002390100000000, 0.0001319000000000, 0.0005251200000000 ] - [ -0.0001105500000000, 0.0002861800000000, -0.0005433800000000 ] - [ 0.0001408800000000, -0.0002788500000000, -0.0009169400000000 ] - [ 0.0018225400000000, 0.0034944400000000, -0.0072368100000000 ] - [ -0.0000876500000000, 0.0002446200000000, 0.0001325500000000 ] - [ 0.0015603200000000, 0.0020589300000000, -0.0025971200000000 ] - [ 0.0001115000000000, -0.0002019200000000, 0.0004644800000000 ] - [ -0.0003193900000000, 0.0000016900000000, -0.0009240000000000 ] - [ 0.0001130100000000, 0.0000137600000000, 0.0004841100000000 ] - [ -0.0006688000000000, 0.0004699900000000, 0.0002642300000000 ] - [ -0.0000661800000000, 0.0001000800000000, 0.0004607800000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003683900000000, -0.0003158800000000, -0.0001814300000000 ] - [ -0.0000012200000000, 0.0000109500000000, 0.0002880200000000 ] - [ 0.0006407200000000, 0.0001358100000000, 0.0044272600000000 ] - [ 0.0000478400000000, -0.0000126600000000, 0.0000025400000000 ] - [ 0.0001413400000000, 0.0002154200000000, -0.0034951600000000 ] - [ -0.0003975500000000, -0.0003322700000000, 0.0001365300000000 ] - [ 0.0002001000000000, -0.0001330700000000, -0.0000288900000000 ] - [ -0.0007216300000000, -0.0007683800000000, -0.0007212800000000 ] - [ -0.0022961000000000, 0.0001689500000000, 0.0000312000000000 ] - [ 0.0000799700000000, 0.0002089400000000, -0.0000729400000000 ] - [ -0.0000396900000000, 0.0001259600000000, -0.0000859900000000 ] - [ 0.0007425900000000, -0.0000255400000000, 0.0005691700000000 ] - [ -0.0000920800000000, -0.0001724200000000, -0.0002614900000000 ] - [ -0.0341233000000000, -0.0021088500000000, -0.0024140700000000 ] - [ 0.0002658500000000, 0.0003099000000000, -0.0001491500000000 ] - [ 0.0000252300000000, -0.0000743600000000, 0.0003433800000000 ] - [ -0.0001412200000000, -0.0000188700000000, 0.0001465100000000 ] - [ 0.0001369600000000, 0.0001130300000000, 0.0001574400000000 ] - [ 0.0000309600000000, 0.0001461700000000, 0.0000679500000000 ] - [ -0.0001219700000000, 0.0002224600000000, -0.0002223200000000 ] - [ 0.0002519300000000, 0.0000677600000000, -0.0002413300000000 ] - [ 0.0001419800000000, 0.0000761300000000, 0.0000946400000000 ] - [ 0.0001202500000000, 0.0004010000000000, 0.0007248200000000 ] - [ 0.0006810100000000, -0.0000720300000000, 0.0005979600000000 ] - [ 0.0001467500000000, 0.0000213200000000, 0.0002803900000000 ] - [ -0.0001605300000000, -0.0002306900000000, -0.0002577700000000 ] - [ -0.0000378300000000, 0.0000634500000000, -0.0001925500000000 ] - [ 0.0005831400000000, -0.0002367800000000, 0.0002331700000000 ] - [ 0.0002197500000000, 0.0003814100000000, 0.0002160900000000 ] - [ -0.0011741400000000, 0.0001098900000000, 0.0001020800000000 ] - [ 0.0004826400000000, 0.0000711400000000, 0.0003090200000000 ] - [ 0.0010233200000000, -0.0000608600000000, -0.0006854000000000 ] - [ 0.0000703800000000, -0.0012954300000000, 0.0001789600000000 ] - [ 0.0045046800000000, 0.0037190600000000, 0.0003088200000000 ] - [ -0.0013648200000000, -0.0010931900000000, 0.0016104600000000 ] - [ -0.0002233100000000, -0.0001788700000000, 0.0000860500000000 ] - [ -0.0003118700000000, 0.0003283100000000, -0.0000369600000000 ] - [ 0.0002688200000000, 0.0005121500000000, -0.0001036800000000 ] - [ -0.0000721800000000, -0.0002946700000000, -0.0000379300000000 ] - [ 0.0006130000000000, -0.0002430700000000, 0.0000303900000000 ] - [ 0.0002390300000000, 0.0000331000000000, -0.0003012600000000 ] - [ 0.0003085300000000, -0.0000918300000000, 0.0001200900000000 ] - [ -0.0000234600000000, -0.0000760100000000, -0.0002116800000000 ] - [ -0.0002445000000000, 0.0002790600000000, 0.0001863600000000 ] - [ 0.0000059600000000, -0.0001455700000000, 0.0000627400000000 ] - [ -0.0012817000000000, -0.0013672000000000, -0.0016113400000000 ] - [ -0.0001293100000000, 0.0002074300000000, -0.0003105200000000 ] - [ -0.0001735300000000, -0.0001045900000000, 0.0000627600000000 ] - [ -0.0001397400000000, 0.0000908400000000, 0.0000539300000000 ] - [ 0.0000356200000000, -0.0000063700000000, -0.0001637600000000 ] - [ 0.0014655500000000, 0.0004816700000000, 0.0001786900000000 ] - [ 0.0000988400000000, 0.0003959300000000, 0.0001544800000000 ] - [ -0.0001148100000000, 0.0001321200000000, 0.0002056800000000 ] - [ 0.0001454900000000, -0.0002385100000000, 0.0003213300000000 ] - [ -0.0004290100000000, -0.0005211800000000, 0.0006391500000000 ] - [ 0.0001217800000000, -0.0000900200000000, 0.0000661600000000 ] - [ -0.0000118200000000, -0.0001914700000000, -0.0000433100000000 ] - [ 0.0006282200000000, 0.0001941400000000, -0.0004366100000000 ] - [ -0.0000414600000000, -0.0001132000000000, 0.0003038400000000 ] - [ -0.0000908300000000, 0.0001234000000000, 0.0003183900000000 ] - [ 0.0002954000000000, -0.0000322900000000, -0.0002610500000000 ] - [ -0.0000433200000000, 0.0005247800000000, -0.0006637200000000 ] - [ 0.0022440600000000, 0.0019626000000000, 0.0000987900000000 ] - [ -0.0001921000000000, -0.0005116500000000, 0.0004020900000000 ] - [ -0.0003071400000000, -0.0000281700000000, 0.0006922300000000 ] - [ 0.0001301900000000, -0.0002491100000000, 0.0012396800000000 ] - [ 0.0000277100000000, 0.0000752200000000, -0.0004760400000000 ] - [ 0.0001138000000000, 0.0002324600000000, -0.0000294200000000 ] - [ 0.0000072300000000, -0.0000419300000000, -0.0004941000000000 ] - [ 0.0080506500000000, -0.0114263300000000, -0.0029511300000000 ] - [ -0.0000695000000000, -0.0003047700000000, -0.0007983300000000 ] - [ 0.0019659700000000, 0.0006083300000000, -0.0008921800000000 ] - [ -0.0013787800000000, 0.0013158600000000, 0.0066840100000000 ] - [ -0.0001242900000000, 0.0000305200000000, -0.0000247400000000 ] - [ 0.0001417400000000, 0.0003967200000000, -0.0000025300000000 ] - [ -0.0000708900000000, -0.0006635100000000, -0.0001905800000000 ] - [ -0.0011286600000000, 0.0028650100000000, -0.0025363300000000 ] - [ 0.0023742600000000, 0.0004145200000000, 0.0009009900000000 ] - [ 0.0000107000000000, -0.0002685400000000, -0.0000661400000000 ] - [ 0.0003913000000000, 0.0000456800000000, -0.0000272700000000 ] - [ 0.0008146200000000, 0.0019014400000000, -0.0001374900000000 ] - [ 0.0109929500000000, -0.0041224400000000, -0.0020531400000000 ] - [ -0.0000292200000000, -0.0000281900000000, 0.0005250200000000 ] - [ -0.0000847300000000, -0.0000440500000000, 0.0000935700000000 ] - [ -0.0000529800000000, -0.0001600200000000, -0.0001463600000000 ] - [ -0.0000608100000000, 0.0001101500000000, 0.0002400000000000 ] - [ 0.0000082200000000, 0.0001982900000000, -0.0003271200000000 ] - [ 0.0000409000000000, -0.0000563000000000, 0.0000815800000000 ] - [ 0.0004093800000000, 0.0002716600000000, 0.0001398100000000 ] - [ 0.0009155500000000, -0.0008307100000000, 0.0015375500000000 ] - [ -0.0001926200000000, -0.0004807400000000, 0.0004042100000000 ] - [ 0.0002221200000000, 0.0004011900000000, -0.0006056200000000 ] - [ 0.0000692400000000, 0.0001481200000000, -0.0000639600000000 ] - [ -0.0002437400000000, -0.0000161100000000, -0.0001049300000000 ] - [ 0.0000749900000000, 0.0000445800000000, -0.0002366500000000 ] - [ 0.0000122600000000, 0.0000128400000000, -0.0005774600000000 ] - [ 0.0031823600000000, 0.0014518300000000, -0.0009145900000000 ] - [ 0.0006261000000000, -0.0009084500000000, 0.0000680900000000 ] - [ -0.0034507400000000, 0.0019638500000000, 0.0001979000000000 ] - [ -0.0008576200000000, -0.0000192400000000, -0.0004687900000000 ] - [ 0.0001033300000000, -0.0003129000000000, -0.0003011000000000 ] - [ -0.0004801500000000, -0.0001387500000000, -0.0005290000000000 ] - [ -0.0004774700000000, 0.0000423500000000, -0.0006094000000000 ] - [ 0.0004154100000000, 0.0006596300000000, -0.0004726700000000 ] - [ -0.0000482900000000, 0.0000102400000000, 0.0000808100000000 ] - [ 0.0019109600000000, 0.0008547900000000, -0.0016426000000000 ] - [ -0.0012514700000000, -0.0002845600000000, -0.0006551600000000 ] - [ -0.0000061800000000, 0.0002809300000000, 0.0003018500000000 ] - [ -0.0000611300000000, -0.0001128500000000, -0.0001979900000000 ] - [ 0.0000737200000000, 0.0001881300000000, -0.0002629200000000 ] - [ 0.0000465700000000, 0.0004791100000000, 0.0002319600000000 ] - [ 0.0002445600000000, -0.0002875900000000, -0.0003364900000000 ] - [ -0.0000001200000000, 0.0001348000000000, -0.0002272400000000 ] - [ -0.0000857200000000, -0.0002210000000000, 0.0000495100000000 ] - [ -0.0009238700000000, 0.0003141100000000, 0.0001377300000000 ] - [ -0.0000039900000000, 0.0000103400000000, 0.0007826800000000 ] - [ -0.0004024500000000, -0.0000333600000000, -0.0001282800000000 ] - [ 0.0000419900000000, 0.0000857900000000, 0.0000837800000000 ] - [ -0.0004346600000000, -0.0002189500000000, -0.0013806900000000 ] - [ 0.0000917900000000, -0.0001325300000000, -0.0006255800000000 ] - [ -0.0001199200000000, 0.0002922200000000, -0.0000920400000000 ] - [ 0.0000679700000000, 0.0004330500000000, -0.0001286700000000 ] - [ -0.0000679000000000, 0.0000712900000000, -0.0002065400000000 ] - [ -0.0009876200000000, -0.0007054600000000, 0.0003516800000000 ] - [ -0.0001510700000000, -0.0000379100000000, -0.0001470000000000 ] - [ 0.0001287000000000, -0.0001394500000000, -0.0000447500000000 ] - [ -0.0028343100000000, -0.0000627600000000, 0.0000562000000000 ] - [ -0.0002306200000000, -0.0000897500000000, -0.0003078700000000 ] - [ 0.0002152800000000, 0.0003854300000000, 0.0002458400000000 ] - [ -0.0001429100000000, 0.0001910200000000, 0.0002802500000000 ] - [ -0.0005632600000000, -0.0000949000000000, 0.0000813600000000 ] - [ 0.0000703900000000, -0.0000721700000000, -0.0002506900000000 ] - [ -0.0001214700000000, -0.0001504900000000, 0.0001347400000000 ] - [ 0.0062004200000000, 0.0015413500000000, 0.0020570100000000 ] - [ -0.0000344200000000, 0.0001254500000000, -0.0001901000000000 ] - [ -0.0020036400000000, 0.0008561900000000, 0.0023215400000000 ] - [ 0.0001001500000000, -0.0000036300000000, -0.0001937000000000 ] - [ -0.0001533900000000, -0.0008598600000000, 0.0002754800000000 ] - [ -0.0001181200000000, -0.0000475200000000, -0.0002545800000000 ] - [ 0.0003342700000000, 0.0000096400000000, -0.0001093400000000 ] - [ 0.0018002000000000, -0.0013891400000000, 0.0015296600000000 ] - [ -0.0001323900000000, 0.0001673700000000, -0.0009366800000000 ] - [ -0.0013435700000000, 0.0022261100000000, 0.0023961200000000 ] - [ -0.0001722800000000, 0.0036665800000000, 0.0002955100000000 ] - [ 0.0001254700000000, 0.0000601500000000, 0.0002343200000000 ] - [ 0.0002644100000000, -0.0001232300000000, 0.0003011700000000 ] - [ -0.0000748200000000, -0.0000559600000000, -0.0000019700000000 ] - [ 0.0000807200000000, 0.0000381800000000, 0.0001324600000000 ] - [ -0.0006062400000000, -0.0004311900000000, 0.0000493700000000 ] - [ -0.0000029100000000, -0.0000320600000000, -0.0002369100000000 ] - [ 0.0001772700000000, -0.0003202500000000, 0.0009413100000000 ] - [ 0.0000781700000000, 0.0001855100000000, -0.0001724400000000 ] - [ -0.0000091300000000, -0.0000238600000000, 0.0007994100000000 ] - [ 0.0004386400000000, -0.0006922200000000, -0.0004587300000000 ] - [ 0.0004129300000000, 0.0007606400000000, -0.0004753600000000 ] - [ 0.0012050600000000, -0.0015641700000000, -0.0019314200000000 ] - [ -0.0000546500000000, -0.0000901700000000, -0.0003295600000000 ] - [ -0.0008462900000000, 0.0000016500000000, -0.0004961600000000 ] - [ 0.0000221900000000, -0.0001547800000000, -0.0002645400000000 ] - [ 0.0003908200000000, -0.0007714900000000, -0.0005018200000000 ] - [ -0.0005710200000000, -0.0014356300000000, -0.0000325400000000 ] - [ 0.0004600800000000, 0.0002759700000000, 0.0001839100000000 ] - [ -0.0028423600000000, 0.0025203300000000, -0.0003313500000000 ] - [ -0.0009673100000000, -0.0003542700000000, 0.0006594400000000 ] - [ 0.0000033100000000, 0.0000573900000000, 0.0001844100000000 ] - [ -0.0012924000000000, -0.0002713600000000, 0.0001511800000000 ] - [ -0.0001487900000000, 0.0001405600000000, 0.0003168900000000 ] - [ -0.0003720600000000, -0.0004733400000000, 0.0002422600000000 ] - [ 0.0021340700000000, -0.0006784200000000, 0.0001892200000000 ] - [ 0.0002221300000000, 0.0000733900000000, -0.0007869500000000 ] - [ -0.0001686400000000, -0.0001725100000000, 0.0003035300000000 ] - [ 0.0000263500000000, -0.0000281500000000, -0.0000292900000000 ] - [ 0.0000044800000000, 0.0002974000000000, 0.0000936700000000 ] - [ 0.0003456800000000, -0.0000067300000000, 0.0005465500000000 ] - [ -0.0011680100000000, -0.0003420200000000, 0.0001453600000000 ] - [ 0.0000214300000000, -0.0000088400000000, -0.0000080800000000 ] - [ 0.0000387200000000, -0.0000403900000000, 0.0000554500000000 ] - [ 0.0000207800000000, 0.0000005200000000, 0.0001011700000000 ] - [ 0.0002449600000000, 0.0006722700000000, 0.0002376200000000 ] - [ -0.0000089300000000, 0.0000264800000000, -0.0000289700000000 ] - [ -0.0000816800000000, -0.0000177700000000, -0.0002747300000000 ] - [ -0.0000254600000000, -0.0000085100000000, -0.0000411000000000 ] - [ -0.0000398000000000, 0.0000102600000000, -0.0000405200000000 ] - [ 0.0000679300000000, -0.0000146400000000, -0.0005114300000000 ] - [ 0.0048085300000000, 0.0007465400000000, -0.0009352700000000 ] - [ 0.0000164100000000, 0.0000499600000000, -0.0003307400000000 ] - [ -0.0007648700000000, -0.0003292900000000, 0.0001670700000000 ] - [ -0.0003147700000000, -0.0000620900000000, -0.0000067400000000 ] - [ 0.0045446400000000, 0.0014395900000000, 0.0011226700000000 ]- atom: 14 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003160100000000, 0.0007358600000000, 0.0006072100000000 ] - [ -0.0001129700000000, 0.0002180500000000, 0.0000515000000000 ] - [ -0.0007018900000000, -0.0000310100000000, -0.0041280600000000 ] - [ -0.0000300700000000, -0.0002634600000000, 0.0002523300000000 ] - [ -0.0003988500000000, 0.0002319300000000, 0.0030376500000000 ] - [ 0.0001766000000000, -0.0000525800000000, -0.0001422000000000 ] - [ 0.0002526400000000, 0.0001390000000000, 0.0000168300000000 ] - [ 0.0004602100000000, 0.0003209800000000, 0.0002829800000000 ] - [ 0.0021706300000000, 0.0000545600000000, 0.0000817600000000 ] - [ -0.0003148200000000, 0.0001804200000000, 0.0000598400000000 ] - [ 0.0000546800000000, 0.0001650600000000, 0.0003347900000000 ] - [ -0.0008814500000000, -0.0004117400000000, -0.0008225600000000 ] - [ -0.0001067100000000, -0.0002332000000000, -0.0003293800000000 ] - [ 0.0336726100000000, 0.0017888100000000, 0.0029889900000000 ] - [ 0.0001634800000000, -0.0004140600000000, -0.0001060500000000 ] - [ -0.0001453900000000, -0.0001325700000000, 0.0000004200000000 ] - [ 0.0003946200000000, 0.0000350000000000, 0.0001916900000000 ] - [ 0.0001091300000000, 0.0000447100000000, 0.0000926000000000 ] - [ -0.0000615600000000, 0.0001485700000000, 0.0000496600000000 ] - [ -0.0000727100000000, 0.0002068400000000, -0.0003691400000000 ] - [ 0.0002016400000000, -0.0000759200000000, 0.0002288300000000 ] - [ 0.0001280700000000, 0.0000449300000000, 0.0000227600000000 ] - [ -0.0000685600000000, -0.0008330800000000, -0.0003051200000000 ] - [ -0.0005674500000000, 0.0000784500000000, -0.0003227500000000 ] - [ 0.0001318400000000, -0.0000134700000000, 0.0003116300000000 ] - [ -0.0000917300000000, -0.0001442600000000, -0.0003333900000000 ] - [ -0.0000725900000000, 0.0001453400000000, -0.0001446600000000 ] - [ -0.0007347500000000, 0.0001822000000000, 0.0002658400000000 ] - [ 0.0001150300000000, -0.0001242600000000, 0.0002085400000000 ] - [ 0.0011872000000000, 0.0000581500000000, 0.0003935600000000 ] - [ 0.0002669600000000, -0.0000828000000000, -0.0002669400000000 ] - [ -0.0005138300000000, 0.0000674000000000, 0.0002426500000000 ] - [ 0.0000597800000000, 0.0013889800000000, 0.0003161900000000 ] - [ -0.0043311100000000, -0.0037780200000000, 0.0001862400000000 ] - [ 0.0018143600000000, 0.0011919000000000, -0.0018601200000000 ] - [ -0.0000250200000000, 0.0000551100000000, 0.0001700100000000 ] - [ -0.0000720000000000, 0.0003137300000000, 0.0000786300000000 ] - [ -0.0003949900000000, -0.0000838600000000, -0.0001532700000000 ] - [ -0.0003052800000000, -0.0003581200000000, 0.0000746700000000 ] - [ -0.0007466400000000, 0.0000158800000000, 0.0000853300000000 ] - [ 0.0002301700000000, 0.0000129300000000, -0.0002904400000000 ] - [ -0.0000735800000000, -0.0000908600000000, 0.0001318200000000 ] - [ -0.0000887400000000, -0.0001178100000000, -0.0001328400000000 ] - [ 0.0000222200000000, 0.0001169400000000, -0.0001969400000000 ] - [ -0.0000385300000000, -0.0001566300000000, 0.0000453000000000 ] - [ 0.0016362400000000, 0.0011129000000000, 0.0020277000000000 ] - [ -0.0001579000000000, 0.0001582400000000, -0.0002789500000000 ] - [ -0.0000721100000000, -0.0000745800000000, 0.0000455600000000 ] - [ -0.0000937900000000, 0.0000852700000000, 0.0000621200000000 ] - [ 0.0001999500000000, 0.0000153600000000, -0.0001729200000000 ] - [ -0.0016268500000000, -0.0004226600000000, 0.0003160000000000 ] - [ -0.0004832100000000, -0.0002293600000000, 0.0002675000000000 ] - [ -0.0001617300000000, -0.0000195400000000, 0.0000457200000000 ] - [ -0.0004527100000000, 0.0005585600000000, -0.0005777200000000 ] - [ 0.0003634100000000, 0.0004123100000000, -0.0003700900000000 ] - [ 0.0001473900000000, -0.0000241200000000, 0.0000496300000000 ] - [ -0.0002109100000000, -0.0001918800000000, 0.0000350900000000 ] - [ -0.0010303800000000, -0.0003635900000000, 0.0008628100000000 ] - [ -0.0000980500000000, -0.0001278700000000, 0.0002852800000000 ] - [ -0.0000416600000000, 0.0001217600000000, 0.0002723900000000 ] - [ 0.0001644400000000, -0.0000334300000000, -0.0003286500000000 ] - [ -0.0002675100000000, -0.0008635200000000, 0.0004170000000000 ] - [ -0.0019790500000000, -0.0019721600000000, 0.0000088000000000 ] - [ 0.0002480500000000, 0.0004163500000000, 0.0001881000000000 ] - [ 0.0002375300000000, 0.0001408000000000, -0.0004596700000000 ] - [ -0.0001210700000000, 0.0002429800000000, -0.0010795600000000 ] - [ -0.0000272300000000, -0.0000753100000000, -0.0005133400000000 ] - [ 0.0001666800000000, 0.0002556500000000, -0.0000722500000000 ] - [ -0.0000076900000000, 0.0000422500000000, -0.0004951500000000 ] - [ -0.0079869600000000, 0.0114020600000000, 0.0038641200000000 ] - [ 0.0000670300000000, 0.0003052100000000, 0.0001204700000000 ] - [ -0.0017299500000000, -0.0001946900000000, 0.0004166500000000 ] - [ 0.0009362600000000, -0.0013093200000000, -0.0071310700000000 ] - [ -0.0004414400000000, -0.0000304000000000, -0.0000765300000000 ] - [ -0.0001495400000000, -0.0003913300000000, 0.0001669400000000 ] - [ 0.0003057400000000, 0.0002564300000000, -0.0002845900000000 ] - [ 0.0010763200000000, -0.0028321500000000, 0.0031211600000000 ] - [ -0.0023161100000000, -0.0003149700000000, -0.0003009300000000 ] - [ 0.0002719800000000, -0.0002214600000000, -0.0000354200000000 ] - [ -0.0002578500000000, -0.0000479200000000, 0.0002654900000000 ] - [ -0.0007982200000000, -0.0019126200000000, -0.0004545600000000 ] - [ -0.0110213900000000, 0.0042219200000000, 0.0014303400000000 ] - [ 0.0000296100000000, 0.0000300400000000, 0.0001762200000000 ] - [ 0.0000160200000000, -0.0000715000000000, 0.0001451400000000 ] - [ 0.0000514300000000, 0.0001563700000000, -0.0000927600000000 ] - [ 0.0000572200000000, -0.0001127300000000, -0.0004807900000000 ] - [ -0.0000048400000000, -0.0001934000000000, 0.0006533500000000 ] - [ 0.0000751200000000, -0.0001405600000000, 0.0001707500000000 ] - [ 0.0000158300000000, -0.0000941000000000, 0.0004098800000000 ] - [ -0.0003097200000000, 0.0008280500000000, -0.0011252400000000 ] - [ 0.0001919500000000, 0.0004807500000000, 0.0006608300000000 ] - [ -0.0000257300000000, -0.0001264300000000, -0.0000425900000000 ] - [ 0.0000884400000000, 0.0001250600000000, -0.0000305200000000 ] - [ -0.0000629600000000, 0.0000242700000000, 0.0000112900000000 ] - [ 0.0001933700000000, 0.0001076000000000, -0.0002619200000000 ] - [ -0.0000136400000000, -0.0000153300000000, -0.0002382300000000 ] - [ -0.0031264900000000, -0.0015273700000000, 0.0013104100000000 ] - [ -0.0011320400000000, 0.0012872400000000, 0.0003095300000000 ] - [ 0.0045609000000000, -0.0019658600000000, 0.0006016200000000 ] - [ -0.0008036100000000, -0.0000330200000000, -0.0004997600000000 ] - [ 0.0000988100000000, 0.0000361500000000, -0.0003489200000000 ] - [ 0.0003873500000000, -0.0000213100000000, 0.0003289800000000 ] - [ 0.0001370100000000, -0.0000052700000000, -0.0000395300000000 ] - [ 0.0004534400000000, 0.0007487100000000, -0.0004965100000000 ] - [ -0.0001799400000000, -0.0000082000000000, 0.0001712900000000 ] - [ -0.0016484900000000, -0.0004169000000000, 0.0013846500000000 ] - [ 0.0018136400000000, 0.0005228900000000, 0.0010273700000000 ] - [ -0.0001156400000000, -0.0000680000000000, -0.0002965800000000 ] - [ -0.0000718100000000, -0.0001173500000000, -0.0001720200000000 ] - [ -0.0000762000000000, 0.0001209400000000, -0.0002359300000000 ] - [ -0.0000931200000000, -0.0004079600000000, 0.0002168400000000 ] - [ -0.0000168400000000, -0.0000984100000000, 0.0000011500000000 ] - [ -0.0000947500000000, 0.0000146500000000, 0.0000305900000000 ] - [ 0.0000878100000000, 0.0002237000000000, -0.0000826800000000 ] - [ 0.0008520400000000, 0.0002924400000000, 0.0002357700000000 ] - [ 0.0000010300000000, -0.0000139100000000, 0.0008416700000000 ] - [ -0.0000484200000000, 0.0000378500000000, -0.0002083600000000 ] - [ 0.0000719100000000, 0.0001115900000000, 0.0001674200000000 ] - [ 0.0002071900000000, 0.0002130700000000, 0.0010390900000000 ] - [ 0.0000415000000000, -0.0001684100000000, -0.0000204300000000 ] - [ -0.0004034100000000, -0.0002842100000000, -0.0001538600000000 ] - [ 0.0001814400000000, 0.0000253200000000, -0.0001175000000000 ] - [ -0.0001925100000000, 0.0000936800000000, -0.0002944600000000 ] - [ 0.0006732300000000, 0.0001595300000000, 0.0000742800000000 ] - [ 0.0002814000000000, 0.0000448100000000, -0.0003660200000000 ] - [ 0.0000313500000000, -0.0001218000000000, -0.0000489400000000 ] - [ 0.0027668900000000, -0.0001036100000000, 0.0002631100000000 ] - [ -0.0000993000000000, 0.0000551900000000, -0.0003387800000000 ] - [ -0.0005354800000000, 0.0001586100000000, 0.0001806700000000 ] - [ -0.0002274300000000, 0.0000855300000000, 0.0002687900000000 ] - [ 0.0008207500000000, -0.0003828600000000, -0.0003275100000000 ] - [ 0.0002022200000000, -0.0000704000000000, -0.0002500900000000 ] - [ -0.0002295000000000, -0.0001200700000000, 0.0004126400000000 ] - [ -0.0061586600000000, -0.0008197500000000, -0.0012186800000000 ] - [ -0.0000958900000000, 0.0001150400000000, -0.0001762400000000 ] - [ 0.0020096000000000, -0.0008699000000000, -0.0012568100000000 ] - [ 0.0001729500000000, 0.0000110900000000, -0.0001730500000000 ] - [ 0.0000658700000000, 0.0010167100000000, 0.0000387100000000 ] - [ -0.0001435600000000, -0.0001087800000000, -0.0002435100000000 ] - [ -0.0002375300000000, -0.0001943000000000, -0.0002258700000000 ] - [ -0.0018724600000000, 0.0016003100000000, -0.0012665000000000 ] - [ 0.0001325900000000, -0.0001637300000000, 0.0009069000000000 ] - [ 0.0013361300000000, -0.0022094100000000, -0.0032544700000000 ] - [ -0.0003772000000000, -0.0045971400000000, 0.0005059400000000 ] - [ 0.0001217200000000, -0.0000600600000000, -0.0002282200000000 ] - [ 0.0001610200000000, -0.0000604800000000, 0.0002482400000000 ] - [ 0.0000005000000000, -0.0005614400000000, 0.0003769500000000 ] - [ -0.0002010300000000, -0.0002481800000000, -0.0001276200000000 ] - [ 0.0007076700000000, 0.0006054500000000, -0.0003818000000000 ] - [ -0.0000567200000000, -0.0000725200000000, -0.0002744300000000 ] - [ -0.0000112600000000, 0.0003035900000000, -0.0011257100000000 ] - [ 0.0001473000000000, 0.0002049200000000, -0.0001654900000000 ] - [ 0.0000072000000000, 0.0000195700000000, 0.0008249000000000 ] - [ 0.0004264400000000, -0.0007225600000000, -0.0005101100000000 ] - [ 0.0003722300000000, 0.0006964200000000, -0.0004939600000000 ] - [ -0.0009339800000000, 0.0011088300000000, 0.0016793000000000 ] - [ 0.0001934900000000, 0.0003976100000000, -0.0003198900000000 ] - [ -0.0008118700000000, 0.0000404900000000, -0.0004726000000000 ] - [ -0.0000263600000000, -0.0001505800000000, -0.0002339200000000 ] - [ 0.0003942000000000, -0.0006930700000000, -0.0004664400000000 ] - [ 0.0004856500000000, 0.0012964900000000, 0.0003504900000000 ] - [ 0.0001249300000000, -0.0005144600000000, 0.0001903000000000 ] - [ 0.0027441900000000, -0.0023913300000000, 0.0006579300000000 ] - [ 0.0009217000000000, 0.0002755900000000, -0.0002050100000000 ] - [ -0.0000058300000000, -0.0000623000000000, -0.0002607300000000 ] - [ 0.0007524900000000, 0.0002536900000000, -0.0003971500000000 ] - [ 0.0000894000000000, 0.0003167100000000, 0.0002311200000000 ] - [ 0.0005300900000000, 0.0004682000000000, 0.0000773500000000 ] - [ -0.0026393400000000, 0.0002919900000000, 0.0001878000000000 ] - [ -0.0002810400000000, 0.0000437800000000, 0.0002797600000000 ] - [ 0.0001099800000000, -0.0002673000000000, 0.0002425700000000 ] - [ 0.0000165700000000, -0.0000580400000000, -0.0000206600000000 ] - [ -0.0001191800000000, -0.0005001300000000, 0.0001066000000000 ] - [ -0.0003481000000000, -0.0000091400000000, -0.0003929100000000 ] - [ 0.0007116700000000, 0.0003508600000000, 0.0001941600000000 ] - [ 0.0000058200000000, -0.0000393900000000, 0.0000343400000000 ] - [ -0.0000411600000000, 0.0000342400000000, 0.0000999800000000 ] - [ -0.0000765500000000, -0.0000009400000000, -0.0000733600000000 ] - [ -0.0000106000000000, -0.0002701700000000, 0.0000996400000000 ] - [ 0.0000517200000000, 0.0000479800000000, -0.0000267500000000 ] - [ 0.0000994400000000, 0.0000486100000000, -0.0004257200000000 ] - [ -0.0000708900000000, 0.0000028100000000, -0.0000089900000000 ] - [ 0.0000664800000000, 0.0000357600000000, 0.0000648800000000 ] - [ -0.0000836900000000, 0.0000223200000000, -0.0001950500000000 ] - [ -0.0045361800000000, -0.0010661600000000, 0.0012022700000000 ] - [ -0.0000023100000000, -0.0000593800000000, -0.0003743200000000 ] - [ 0.0010053700000000, 0.0003349600000000, 0.0000308200000000 ] - [ 0.0003004300000000, 0.0000513900000000, 0.0001638900000000 ] - [ -0.0046328100000000, -0.0011590300000000, -0.0008661600000000 ]- atom: 14 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0004008300000000, 0.0008190600000000, 0.0006620800000000 ] - [ -0.0001595400000000, 0.0002907300000000, 0.0001383800000000 ] - [ -0.0003050500000000, -0.0021301800000000, -0.0018527600000000 ] - [ 0.0000949700000000, -0.0000430400000000, 0.0000062700000000 ] - [ -0.0004119700000000, -0.0015463600000000, 0.0013650000000000 ] - [ -0.0000744200000000, -0.0005105100000000, 0.0001910800000000 ] - [ 0.0001232500000000, 0.0001779800000000, -0.0000425000000000 ] - [ -0.0003321900000000, 0.0006372900000000, 0.0003856800000000 ] - [ 0.0009532600000000, 0.0057417200000000, -0.0001769400000000 ] - [ -0.0002037200000000, 0.0000796700000000, 0.0000011400000000 ] - [ 0.0001062200000000, -0.0000882600000000, 0.0000779900000000 ] - [ -0.0001969000000000, -0.0008862200000000, -0.0007311500000000 ] - [ -0.0000728700000000, -0.0001777400000000, -0.0002344100000000 ] - [ 0.0152978300000000, -0.0295280300000000, 0.0007660300000000 ] - [ 0.0003130000000000, 0.0004187700000000, -0.0001136700000000 ] - [ -0.0001093200000000, -0.0002553300000000, 0.0001028300000000 ] - [ 0.0001309100000000, -0.0000450300000000, -0.0000526000000000 ] - [ 0.0001757500000000, 0.0001415600000000, 0.0002047400000000 ] - [ -0.0000378100000000, 0.0001227600000000, 0.0000765100000000 ] - [ -0.0000633300000000, 0.0001380200000000, -0.0002802000000000 ] - [ 0.0002857600000000, -0.0001122800000000, -0.0000539300000000 ] - [ 0.0001514000000000, 0.0000421000000000, 0.0000937700000000 ] - [ 0.0005747600000000, 0.0002296100000000, 0.0007722000000000 ] - [ -0.0004273400000000, 0.0000521700000000, -0.0002547900000000 ] - [ 0.0001539100000000, -0.0000163300000000, 0.0003037900000000 ] - [ -0.0001235900000000, -0.0001483600000000, -0.0003295700000000 ] - [ -0.0000897600000000, 0.0001635300000000, -0.0001309100000000 ] - [ -0.0005199800000000, 0.0004793200000000, 0.0002240600000000 ] - [ 0.0002810300000000, 0.0005206200000000, 0.0001532100000000 ] - [ 0.0005715300000000, 0.0027365000000000, 0.0002054300000000 ] - [ 0.0005127900000000, -0.0000881200000000, 0.0002793000000000 ] - [ -0.0003603600000000, 0.0000357100000000, 0.0001645900000000 ] - [ -0.0003260100000000, 0.0016071400000000, 0.0002714300000000 ] - [ 0.0013018400000000, -0.0019777000000000, 0.0001938600000000 ] - [ 0.0000767900000000, 0.0003691900000000, -0.0037153200000000 ] - [ -0.0001422300000000, 0.0000330800000000, 0.0002774900000000 ] - [ -0.0001412000000000, 0.0003961200000000, -0.0001858000000000 ] - [ 0.0002438100000000, 0.0004481300000000, -0.0001635100000000 ] - [ -0.0002355700000000, -0.0002461400000000, -0.0000067800000000 ] - [ -0.0005860000000000, 0.0003497400000000, 0.0000578300000000 ] - [ 0.0002466300000000, 0.0000470700000000, -0.0002882300000000 ] - [ 0.0000000600000000, -0.0000953700000000, 0.0002139600000000 ] - [ -0.0000806200000000, -0.0001511100000000, -0.0001307400000000 ] - [ -0.0001167600000000, 0.0003590500000000, 0.0003022200000000 ] - [ -0.0000230300000000, -0.0001260000000000, 0.0000723500000000 ] - [ -0.0001144500000000, 0.0002912300000000, 0.0039388000000000 ] - [ -0.0001370000000000, 0.0001903200000000, -0.0002773000000000 ] - [ -0.0001128900000000, -0.0001440300000000, 0.0000776300000000 ] - [ -0.0001083800000000, 0.0001043300000000, 0.0000526100000000 ] - [ 0.0001366900000000, -0.0000125200000000, -0.0000883200000000 ] - [ -0.0012372800000000, -0.0006422800000000, 0.0002762300000000 ] - [ 0.0000046900000000, 0.0002525100000000, 0.0002062800000000 ] - [ -0.0001096400000000, 0.0000819400000000, 0.0001545300000000 ] - [ -0.0005605700000000, 0.0006739600000000, -0.0006701300000000 ] - [ -0.0002607600000000, 0.0007418600000000, -0.0005311700000000 ] - [ 0.0001127300000000, -0.0000186300000000, 0.0000766300000000 ] - [ -0.0001271000000000, -0.0000815900000000, -0.0000222800000000 ] - [ -0.0004501700000000, -0.0007874400000000, 0.0006912800000000 ] - [ -0.0000776700000000, -0.0000992200000000, 0.0003132200000000 ] - [ -0.0000568900000000, 0.0001398200000000, 0.0003438600000000 ] - [ 0.0001866400000000, -0.0000375700000000, -0.0003154300000000 ] - [ 0.0003234300000000, 0.0002286000000000, -0.0006308500000000 ] - [ 0.0008275800000000, -0.0010520700000000, -0.0000949400000000 ] - [ -0.0008345800000000, 0.0022076900000000, 0.0008966600000000 ] - [ 0.0000438000000000, -0.0002144700000000, 0.0007723300000000 ] - [ 0.0000552600000000, -0.0003398600000000, -0.0011767100000000 ] - [ 0.0000526200000000, 0.0000613600000000, -0.0004329900000000 ] - [ 0.0000864800000000, 0.0003992200000000, 0.0000156300000000 ] - [ -0.0000130400000000, -0.0000452400000000, -0.0004180500000000 ] - [ -0.0090016100000000, 0.0076040800000000, 0.0030009900000000 ] - [ -0.0002382500000000, -0.0000688200000000, 0.0001756400000000 ] - [ -0.0000612600000000, -0.0002030400000000, -0.0001803800000000 ] - [ 0.0018038600000000, -0.0003433100000000, 0.0074512800000000 ] - [ -0.0002730200000000, -0.0000273500000000, 0.0000206300000000 ] - [ 0.0002792900000000, 0.0003378600000000, 0.0000415200000000 ] - [ -0.0004933700000000, 0.0016209500000000, -0.0008457000000000 ] - [ 0.0027452800000000, 0.0003703400000000, -0.0025395500000000 ] - [ -0.0003551000000000, -0.0003539700000000, 0.0004070900000000 ] - [ 0.0001943700000000, -0.0003861900000000, -0.0000159000000000 ] - [ 0.0000957200000000, -0.0000381500000000, 0.0001119000000000 ] - [ 0.0012827700000000, 0.0016680500000000, -0.0002497700000000 ] - [ -0.0140239100000000, 0.0012107200000000, 0.0022607100000000 ] - [ -0.0000350100000000, -0.0000127100000000, 0.0002475600000000 ] - [ -0.0001592400000000, 0.0002385800000000, 0.0000110000000000 ] - [ -0.0001153600000000, -0.0001274700000000, -0.0001489900000000 ] - [ 0.0000704600000000, 0.0000864500000000, -0.0005134000000000 ] - [ 0.0002201500000000, -0.0000364200000000, 0.0006171500000000 ] - [ 0.0000820400000000, -0.0001293200000000, 0.0001422400000000 ] - [ 0.0002697800000000, 0.0003606600000000, 0.0001128000000000 ] - [ -0.0009994300000000, 0.0002408000000000, 0.0001388300000000 ] - [ -0.0003295500000000, -0.0004103300000000, 0.0004860000000000 ] - [ 0.0000794400000000, 0.0000893400000000, -0.0000317900000000 ] - [ 0.0000840500000000, 0.0000737100000000, -0.0000474700000000 ] - [ -0.0001782000000000, 0.0000248100000000, -0.0000814400000000 ] - [ 0.0001491600000000, 0.0000778600000000, -0.0002800600000000 ] - [ 0.0000127400000000, 0.0000084400000000, -0.0002806300000000 ] - [ -0.0003423400000000, 0.0037899300000000, -0.0009827400000000 ] - [ -0.0012078600000000, 0.0003520500000000, 0.0014994000000000 ] - [ 0.0041581400000000, -0.0012402600000000, 0.0008245200000000 ] - [ -0.0008146700000000, -0.0000182600000000, -0.0005217500000000 ] - [ 0.0000743500000000, -0.0002485800000000, -0.0003253700000000 ] - [ -0.0000068700000000, -0.0000088400000000, -0.0002063900000000 ] - [ 0.0000394000000000, 0.0000789200000000, -0.0000053800000000 ] - [ 0.0004066200000000, 0.0006693300000000, -0.0004870800000000 ] - [ -0.0001208800000000, 0.0000113500000000, 0.0001413200000000 ] - [ -0.0002605600000000, 0.0021007100000000, -0.0018249000000000 ] - [ 0.0002201200000000, 0.0005442000000000, 0.0002687700000000 ] - [ 0.0000393100000000, 0.0001714500000000, -0.0002516500000000 ] - [ -0.0000542000000000, -0.0001513200000000, -0.0002226500000000 ] - [ -0.0000079100000000, 0.0002447100000000, -0.0002819900000000 ] - [ 0.0001790100000000, -0.0008916200000000, 0.0005811100000000 ] - [ 0.0000758400000000, -0.0001703300000000, -0.0003306000000000 ] - [ 0.0001281900000000, -0.0003529700000000, -0.0005373500000000 ] - [ -0.0001511700000000, -0.0001880300000000, 0.0000242300000000 ] - [ 0.0002546600000000, 0.0006326500000000, 0.0002060100000000 ] - [ 0.0000010000000000, 0.0000122100000000, 0.0007840200000000 ] - [ -0.0002754400000000, 0.0000361800000000, -0.0001515600000000 ] - [ 0.0000792000000000, 0.0001409000000000, 0.0001441800000000 ] - [ -0.0020692400000000, 0.0003421500000000, -0.0020257800000000 ] - [ -0.0001202500000000, 0.0002295400000000, -0.0000772800000000 ] - [ 0.0002002300000000, -0.0005205500000000, 0.0000831800000000 ] - [ 0.0000365800000000, -0.0005777500000000, 0.0001195100000000 ] - [ -0.0001701400000000, 0.0001231500000000, -0.0002694700000000 ] - [ 0.0001295500000000, -0.0001837700000000, 0.0000381200000000 ] - [ 0.0000693600000000, 0.0000379700000000, -0.0002529200000000 ] - [ 0.0000398700000000, -0.0000824200000000, -0.0000105900000000 ] - [ 0.0033635300000000, 0.0021174900000000, 0.0004665000000000 ] - [ -0.0003229400000000, -0.0000973400000000, -0.0003163800000000 ] - [ 0.0002785500000000, -0.0012836700000000, -0.0006129500000000 ] - [ -0.0000764500000000, 0.0000445000000000, 0.0002935500000000 ] - [ 0.0002726900000000, 0.0000370100000000, -0.0000817400000000 ] - [ 0.0001551400000000, -0.0000446500000000, -0.0002694600000000 ] - [ -0.0003409000000000, -0.0000715600000000, 0.0000801700000000 ] - [ -0.0038893800000000, 0.0016800800000000, -0.0007942000000000 ] - [ -0.0000773000000000, 0.0001516500000000, -0.0002216700000000 ] - [ 0.0027191600000000, -0.0001564000000000, -0.0017539000000000 ] - [ 0.0001346300000000, 0.0000102500000000, -0.0002232200000000 ] - [ -0.0002346000000000, -0.0005834500000000, 0.0002848500000000 ] - [ -0.0001005900000000, -0.0001361900000000, -0.0002621300000000 ] - [ 0.0003206500000000, -0.0011572000000000, 0.0001420800000000 ] - [ -0.0005079700000000, 0.0048167000000000, -0.0018026600000000 ] - [ 0.0001426900000000, 0.0001349100000000, 0.0009923800000000 ] - [ 0.0015564800000000, -0.0012704900000000, -0.0025702400000000 ] - [ 0.0011249100000000, -0.0029915800000000, 0.0003508100000000 ] - [ 0.0002485600000000, 0.0000055800000000, -0.0001497300000000 ] - [ 0.0002726400000000, -0.0002604700000000, 0.0003030600000000 ] - [ -0.0000353200000000, -0.0012648500000000, 0.0003512300000000 ] - [ 0.0000963400000000, -0.0000854100000000, -0.0002713200000000 ] - [ 0.0002285400000000, 0.0001615400000000, -0.0001597500000000 ] - [ 0.0000457800000000, -0.0002547500000000, -0.0001750500000000 ] - [ -0.0001836500000000, -0.0000649000000000, 0.0008962000000000 ] - [ 0.0001007900000000, 0.0000537600000000, -0.0001369300000000 ] - [ -0.0000161600000000, -0.0000200900000000, 0.0007669400000000 ] - [ 0.0004256100000000, -0.0006704500000000, -0.0005182600000000 ] - [ 0.0004091300000000, 0.0007393700000000, -0.0005356100000000 ] - [ 0.0002210900000000, -0.0008104200000000, -0.0015794900000000 ] - [ -0.0000961200000000, -0.0000771800000000, -0.0003488500000000 ] - [ -0.0008667800000000, 0.0000002100000000, -0.0005164200000000 ] - [ 0.0000293900000000, -0.0002487400000000, -0.0003190400000000 ] - [ 0.0003855600000000, -0.0007615800000000, -0.0005104400000000 ] - [ -0.0009687800000000, -0.0011971300000000, 0.0000384100000000 ] - [ 0.0007637000000000, -0.0008850700000000, 0.0001726200000000 ] - [ 0.0036174000000000, -0.0023732800000000, 0.0004866300000000 ] - [ 0.0002898200000000, 0.0002691200000000, 0.0002098200000000 ] - [ 0.0000347100000000, 0.0000132300000000, -0.0002926100000000 ] - [ -0.0003894900000000, 0.0002522700000000, -0.0000243200000000 ] - [ -0.0000216900000000, 0.0001988300000000, 0.0002615900000000 ] - [ -0.0006842000000000, -0.0005621500000000, 0.0003156400000000 ] - [ -0.0017706700000000, 0.0017769300000000, 0.0001549400000000 ] - [ -0.0001548600000000, 0.0002872600000000, -0.0008575200000000 ] - [ -0.0000025400000000, -0.0001611800000000, 0.0002727000000000 ] - [ 0.0000256300000000, -0.0000726200000000, -0.0000379500000000 ] - [ 0.0001196000000000, -0.0009937400000000, 0.0001615700000000 ] - [ -0.0001358100000000, 0.0002239200000000, 0.0005337000000000 ] - [ 0.0001436200000000, 0.0003162400000000, 0.0002281700000000 ] - [ 0.0000298300000000, -0.0000790400000000, -0.0000452800000000 ] - [ 0.0001138900000000, -0.0002847600000000, 0.0000203000000000 ] - [ -0.0000463000000000, 0.0000404700000000, 0.0000903400000000 ] - [ 0.0002807900000000, -0.0008356400000000, 0.0001353500000000 ] - [ 0.0000322000000000, 0.0000465100000000, -0.0000427400000000 ] - [ 0.0000512800000000, 0.0000530300000000, -0.0003467600000000 ] - [ -0.0000660100000000, 0.0000168200000000, -0.0000560300000000 ] - [ 0.0000179700000000, 0.0000399600000000, -0.0000135000000000 ] - [ -0.0000624500000000, 0.0000550800000000, -0.0005529500000000 ] - [ -0.0013016500000000, 0.0041629000000000, -0.0006624300000000 ] - [ 0.0000238100000000, -0.0000980800000000, -0.0003096500000000 ] - [ 0.0004058900000000, 0.0002880100000000, 0.0000889400000000 ] - [ -0.0001165800000000, 0.0000450200000000, 0.0000280300000000 ] - [ -0.0013331900000000, 0.0048947300000000, 0.0013086700000000 ]- atom: 14 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0004512400000000, -0.0003986100000000, -0.0002274500000000 ] - [ 0.0000465300000000, -0.0000636300000000, 0.0001969500000000 ] - [ 0.0002378600000000, 0.0022487900000000, 0.0021260000000000 ] - [ -0.0000766500000000, -0.0002294700000000, 0.0002361200000000 ] - [ 0.0001532000000000, 0.0020018200000000, -0.0018080400000000 ] - [ -0.0001476300000000, 0.0001260400000000, -0.0001960100000000 ] - [ 0.0003291400000000, -0.0001736000000000, 0.0000306400000000 ] - [ 0.0000714700000000, -0.0010867300000000, -0.0008328800000000 ] - [ -0.0010588200000000, -0.0054408000000000, 0.0002929400000000 ] - [ -0.0000303600000000, 0.0003105900000000, -0.0000126000000000 ] - [ -0.0000905200000000, 0.0003755400000000, 0.0001586000000000 ] - [ 0.0000588100000000, 0.0004481200000000, 0.0004763400000000 ] - [ -0.0001261800000000, -0.0002273800000000, -0.0003494200000000 ] - [ -0.0152273900000000, 0.0289872100000000, -0.0001411100000000 ] - [ 0.0001159700000000, -0.0005244000000000, -0.0001471000000000 ] - [ -0.0000094700000000, 0.0000509800000000, 0.0002362700000000 ] - [ 0.0001199700000000, 0.0000612700000000, 0.0003864800000000 ] - [ 0.0000670700000000, 0.0000154100000000, 0.0000325900000000 ] - [ 0.0000082700000000, 0.0001741700000000, 0.0000344300000000 ] - [ -0.0001311800000000, 0.0002907200000000, -0.0003042800000000 ] - [ 0.0001681100000000, 0.0001052700000000, 0.0000431200000000 ] - [ 0.0001196800000000, 0.0000811500000000, 0.0000171700000000 ] - [ -0.0005202700000000, -0.0006652600000000, -0.0003447500000000 ] - [ 0.0005463400000000, -0.0000441000000000, 0.0005389300000000 ] - [ 0.0001246400000000, 0.0000241800000000, 0.0002821300000000 ] - [ -0.0001281800000000, -0.0002264200000000, -0.0002551100000000 ] - [ -0.0000186600000000, 0.0000410400000000, -0.0001988900000000 ] - [ 0.0003702600000000, -0.0005297000000000, 0.0002789000000000 ] - [ 0.0000541600000000, -0.0002652100000000, 0.0002797900000000 ] - [ -0.0005650800000000, -0.0025988000000000, 0.0002910700000000 ] - [ 0.0002366900000000, 0.0000763500000000, -0.0002377200000000 ] - [ 0.0008711600000000, -0.0000278500000000, -0.0006127000000000 ] - [ 0.0004540400000000, -0.0015143500000000, 0.0002266100000000 ] - [ -0.0011942800000000, 0.0018603100000000, 0.0003039400000000 ] - [ 0.0003663100000000, -0.0002729900000000, 0.0034376200000000 ] - [ -0.0001039700000000, -0.0001545200000000, -0.0000342500000000 ] - [ -0.0002427400000000, 0.0002457500000000, 0.0002258700000000 ] - [ -0.0003700200000000, -0.0000176600000000, -0.0000975700000000 ] - [ -0.0001426900000000, -0.0004075500000000, 0.0000433400000000 ] - [ 0.0004538900000000, -0.0005741900000000, 0.0000664900000000 ] - [ 0.0002220200000000, -0.0000014500000000, -0.0002970100000000 ] - [ 0.0002303400000000, -0.0000866500000000, 0.0000251500000000 ] - [ -0.0000296100000000, -0.0000387500000000, -0.0002068700000000 ] - [ -0.0001070500000000, 0.0000362700000000, -0.0003122600000000 ] - [ -0.0000083100000000, -0.0001787500000000, 0.0000279300000000 ] - [ 0.0004612900000000, -0.0005479300000000, -0.0034878200000000 ] - [ -0.0001501700000000, 0.0001746200000000, -0.0003052600000000 ] - [ -0.0001356400000000, -0.0000355500000000, 0.0000238600000000 ] - [ -0.0001283000000000, 0.0000720500000000, 0.0000563800000000 ] - [ 0.0000942300000000, 0.0000216200000000, -0.0002416800000000 ] - [ 0.0010768200000000, 0.0007004400000000, 0.0002220800000000 ] - [ -0.0003893100000000, -0.0000826100000000, 0.0002236900000000 ] - [ -0.0001643100000000, 0.0000270100000000, 0.0000843100000000 ] - [ 0.0002510500000000, -0.0003545800000000, 0.0004080300000000 ] - [ 0.0001942500000000, -0.0008573700000000, 0.0008121200000000 ] - [ 0.0001576300000000, -0.0000978500000000, 0.0000314900000000 ] - [ -0.0000945200000000, -0.0003021200000000, 0.0000145500000000 ] - [ 0.0000490300000000, 0.0006157100000000, -0.0002599000000000 ] - [ -0.0000622600000000, -0.0001422300000000, 0.0002701800000000 ] - [ -0.0000757600000000, 0.0001054000000000, 0.0002410400000000 ] - [ 0.0002723400000000, -0.0000280000000000, -0.0002673500000000 ] - [ -0.0006320100000000, -0.0005703600000000, 0.0003790300000000 ] - [ -0.0005464400000000, 0.0010653600000000, 0.0002149600000000 ] - [ 0.0008873600000000, -0.0022931100000000, -0.0003013100000000 ] - [ -0.0001128700000000, 0.0003262700000000, -0.0005398300000000 ] - [ -0.0000473900000000, 0.0003328800000000, 0.0013364500000000 ] - [ -0.0000522600000000, -0.0000616400000000, -0.0005572500000000 ] - [ 0.0001935100000000, 0.0000887000000000, -0.0001166900000000 ] - [ 0.0000121000000000, 0.0000451900000000, -0.0005720500000000 ] - [ 0.0090874300000000, -0.0075685200000000, -0.0020870200000000 ] - [ 0.0002358100000000, 0.0000712500000000, -0.0008524400000000 ] - [ 0.0002918700000000, 0.0006144200000000, -0.0002885000000000 ] - [ -0.0022735600000000, 0.0003630500000000, -0.0079020100000000 ] - [ -0.0002930300000000, 0.0000277300000000, -0.0001211000000000 ] - [ -0.0002865100000000, -0.0003333100000000, 0.0001227900000000 ] - [ 0.0007271800000000, -0.0020226300000000, 0.0003635300000000 ] - [ -0.0028479800000000, -0.0003122300000000, 0.0031257700000000 ] - [ 0.0004039300000000, 0.0004514800000000, 0.0001887000000000 ] - [ 0.0000885100000000, -0.0001042100000000, -0.0000850200000000 ] - [ 0.0000372500000000, 0.0000366000000000, 0.0001241500000000 ] - [ -0.0012696900000000, -0.0016773800000000, -0.0003430800000000 ] - [ 0.0139538000000000, -0.0011660200000000, -0.0028795700000000 ] - [ 0.0000353500000000, 0.0000146800000000, 0.0004541800000000 ] - [ 0.0000897100000000, -0.0003545000000000, 0.0002289300000000 ] - [ 0.0001133900000000, 0.0001237100000000, -0.0000902200000000 ] - [ -0.0000735100000000, -0.0000882000000000, 0.0002723400000000 ] - [ -0.0002178000000000, 0.0000394000000000, -0.0002905100000000 ] - [ 0.0000352000000000, -0.0000702700000000, 0.0001101700000000 ] - [ 0.0001557800000000, -0.0001829800000000, 0.0004377900000000 ] - [ 0.0016186000000000, -0.0002542700000000, 0.0002881500000000 ] - [ 0.0003289100000000, 0.0004100300000000, 0.0005803600000000 ] - [ 0.0001176600000000, 0.0001871100000000, -0.0006172400000000 ] - [ 0.0000726300000000, 0.0001980500000000, -0.0000468200000000 ] - [ -0.0001269400000000, -0.0000168300000000, -0.0000119500000000 ] - [ 0.0001182200000000, 0.0000726500000000, -0.0002182900000000 ] - [ -0.0000143800000000, -0.0000111300000000, -0.0005386300000000 ] - [ 0.0003629500000000, -0.0038853300000000, 0.0013606500000000 ] - [ 0.0007165400000000, 0.0000226900000000, -0.0011366900000000 ] - [ -0.0030465900000000, 0.0012289400000000, -0.0000265400000000 ] - [ -0.0008485300000000, -0.0000342200000000, -0.0004462900000000 ] - [ 0.0001277100000000, -0.0000286100000000, -0.0003255100000000 ] - [ -0.0000847600000000, -0.0001512000000000, 0.0000087300000000 ] - [ -0.0003806500000000, -0.0000418700000000, -0.0006443100000000 ] - [ 0.0004630300000000, 0.0007402800000000, -0.0004815900000000 ] - [ -0.0001105200000000, -0.0000094200000000, 0.0001109500000000 ] - [ 0.0005286400000000, -0.0016671200000000, 0.0015684600000000 ] - [ 0.0003488300000000, -0.0003036800000000, 0.0001079600000000 ] - [ -0.0001621900000000, 0.0000418800000000, 0.0002569400000000 ] - [ -0.0000790300000000, -0.0000790700000000, -0.0001494800000000 ] - [ 0.0000042600000000, 0.0000629100000000, -0.0002167400000000 ] - [ -0.0002254900000000, 0.0009596600000000, -0.0001269800000000 ] - [ 0.0001517100000000, -0.0002159000000000, -0.0000034300000000 ] - [ -0.0002228900000000, 0.0005007100000000, 0.0003365000000000 ] - [ 0.0001526600000000, 0.0001907900000000, -0.0000562800000000 ] - [ -0.0003258600000000, -0.0000251000000000, 0.0001681200000000 ] - [ -0.0000041500000000, -0.0000158700000000, 0.0008425700000000 ] - [ -0.0001762200000000, -0.0000320000000000, -0.0001834000000000 ] - [ 0.0000358400000000, 0.0000588700000000, 0.0001070900000000 ] - [ 0.0018493500000000, -0.0003500700000000, 0.0016878800000000 ] - [ 0.0002542100000000, -0.0005314300000000, -0.0005695200000000 ] - [ -0.0007233500000000, 0.0005281900000000, -0.0003273300000000 ] - [ 0.0002115400000000, 0.0010335200000000, -0.0003638900000000 ] - [ -0.0000889200000000, 0.0000420200000000, -0.0002314100000000 ] - [ -0.0004415700000000, -0.0003598800000000, 0.0003873100000000 ] - [ 0.0000606700000000, -0.0000317300000000, -0.0002574200000000 ] - [ 0.0001189900000000, -0.0001773300000000, -0.0000828300000000 ] - [ -0.0034245500000000, -0.0022516800000000, -0.0001465900000000 ] - [ -0.0000087700000000, 0.0000628700000000, -0.0003309100000000 ] - [ -0.0005979800000000, 0.0018205100000000, 0.0010333500000000 ] - [ -0.0002944100000000, 0.0002325000000000, 0.0002564800000000 ] - [ -0.0000143400000000, -0.0005164000000000, -0.0001663300000000 ] - [ 0.0001166000000000, -0.0000968200000000, -0.0002312800000000 ] - [ -0.0000113000000000, -0.0001994300000000, 0.0004682700000000 ] - [ 0.0037127400000000, -0.0008472400000000, 0.0016155000000000 ] - [ -0.0000533500000000, 0.0000889700000000, -0.0001468200000000 ] - [ -0.0027017500000000, 0.0001541500000000, 0.0028125000000000 ] - [ 0.0001383900000000, -0.0000029700000000, -0.0001457400000000 ] - [ 0.0001468500000000, 0.0007391900000000, 0.0000291000000000 ] - [ -0.0001595400000000, -0.0000203000000000, -0.0002356700000000 ] - [ -0.0002235800000000, 0.0009687300000000, -0.0004743900000000 ] - [ 0.0002775300000000, -0.0044858600000000, 0.0020257800000000 ] - [ -0.0001415700000000, -0.0001303800000000, -0.0010207100000000 ] - [ -0.0015657100000000, 0.0012721700000000, 0.0017004100000000 ] - [ -0.0017004300000000, 0.0020347000000000, 0.0004546700000000 ] - [ 0.0000000800000000, -0.0000062000000000, 0.0001564300000000 ] - [ 0.0001533400000000, 0.0000764300000000, 0.0002469600000000 ] - [ -0.0000406000000000, 0.0006424000000000, 0.0000231000000000 ] - [ -0.0002182300000000, -0.0001273100000000, 0.0002774600000000 ] - [ -0.0001249900000000, 0.0000161400000000, -0.0001743100000000 ] - [ -0.0001054700000000, 0.0001507800000000, -0.0003362900000000 ] - [ 0.0003550100000000, 0.0000456900000000, -0.0010820600000000 ] - [ 0.0001253200000000, 0.0003379200000000, -0.0002001200000000 ] - [ 0.0000139700000000, 0.0000156300000000, 0.0008593200000000 ] - [ 0.0004403600000000, -0.0007459400000000, -0.0004500800000000 ] - [ 0.0003768100000000, 0.0007194400000000, -0.0004333300000000 ] - [ 0.0000544400000000, 0.0003504800000000, 0.0013258100000000 ] - [ 0.0002353700000000, 0.0003854400000000, -0.0003013400000000 ] - [ -0.0007934700000000, 0.0000418600000000, -0.0004517900000000 ] - [ -0.0000345800000000, -0.0000553800000000, -0.0001792700000000 ] - [ 0.0003999200000000, -0.0007046500000000, -0.0004572200000000 ] - [ 0.0008799600000000, 0.0010584700000000, 0.0002793600000000 ] - [ -0.0001777600000000, 0.0006453000000000, 0.0001995800000000 ] - [ -0.0037079100000000, 0.0025085900000000, -0.0001621300000000 ] - [ -0.0003323000000000, -0.0003467700000000, 0.0002412100000000 ] - [ -0.0000376000000000, -0.0000186100000000, 0.0002134700000000 ] - [ -0.0001490700000000, -0.0002688200000000, -0.0002242300000000 ] - [ -0.0000385300000000, 0.0002581000000000, 0.0002880200000000 ] - [ 0.0008446800000000, 0.0005575100000000, 0.0000037800000000 ] - [ 0.0012645400000000, -0.0021625400000000, 0.0002200900000000 ] - [ 0.0000944200000000, -0.0001692600000000, 0.0003509700000000 ] - [ -0.0000565900000000, -0.0002794100000000, 0.0002749500000000 ] - [ 0.0000165200000000, -0.0000130500000000, -0.0000097300000000 ] - [ -0.0002332400000000, 0.0007955700000000, 0.0000343900000000 ] - [ 0.0001318700000000, -0.0002396100000000, -0.0003790200000000 ] - [ -0.0006032400000000, -0.0003092500000000, 0.0001084700000000 ] - [ -0.0000031900000000, 0.0000313200000000, 0.0000804100000000 ] - [ -0.0001158200000000, 0.0002796100000000, 0.0001365500000000 ] - [ -0.0000090800000000, -0.0000409600000000, -0.0000541400000000 ] - [ -0.0000455200000000, 0.0012415200000000, 0.0002014600000000 ] - [ 0.0000099700000000, 0.0000271000000000, -0.0000107800000000 ] - [ -0.0000342800000000, -0.0000232700000000, -0.0003579800000000 ] - [ -0.0000296200000000, -0.0000226400000000, 0.0000082300000000 ] - [ 0.0000081900000000, 0.0000056900000000, 0.0000467300000000 ] - [ 0.0000478300000000, -0.0000475900000000, -0.0001573700000000 ] - [ 0.0015665900000000, -0.0045180400000000, 0.0009565200000000 ] - [ -0.0000106300000000, 0.0000898900000000, -0.0003994200000000 ] - [ -0.0001702500000000, -0.0002843700000000, 0.0001059800000000 ] - [ 0.0001014800000000, -0.0000565100000000, 0.0001295600000000 ] - [ 0.0012759800000000, -0.0045957300000000, -0.0010322700000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000132000000000, 0.0002101700000000, -0.0000872300000000 ] - [ -0.0000167100000000, 0.0000531200000000, 0.0004368700000000 ] - [ 0.0042654700000000, 0.0001596200000000, 0.0036002300000000 ] - [ -0.0001682500000000, -0.0004490600000000, 0.0007319900000000 ] - [ -0.0033551700000000, 0.0004644600000000, 0.0026216000000000 ] - [ -0.0002100600000000, -0.0003318700000000, 0.0011483800000000 ] - [ 0.0002090000000000, -0.0000040900000000, 0.0001958200000000 ] - [ -0.0006445100000000, 0.0001760200000000, -0.0003539200000000 ] - [ -0.0001218500000000, -0.0000308200000000, -0.0025625500000000 ] - [ -0.0000858900000000, 0.0001934300000000, 0.0002007000000000 ] - [ -0.0002638100000000, 0.0003480600000000, 0.0008460600000000 ] - [ 0.0005668600000000, -0.0003903900000000, -0.0002876800000000 ] - [ -0.0000544100000000, -0.0001347200000000, 0.0001195200000000 ] - [ -0.0027333700000000, -0.0012095200000000, -0.0322937000000000 ] - [ 0.0002603900000000, 0.0004253000000000, -0.0003538500000000 ] - [ 0.0000692300000000, -0.0000964200000000, 0.0004519500000000 ] - [ 0.0004788500000000, -0.0001377400000000, 0.0008841100000000 ] - [ 0.0001068300000000, 0.0001700600000000, 0.0003651200000000 ] - [ 0.0000068800000000, 0.0001296400000000, 0.0004116900000000 ] - [ -0.0000407700000000, 0.0001823300000000, 0.0001757200000000 ] - [ -0.0000284400000000, -0.0000678400000000, 0.0004021800000000 ] - [ 0.0001448200000000, 0.0000766600000000, 0.0004842400000000 ] - [ 0.0005353800000000, 0.0006382200000000, 0.0003691400000000 ] - [ 0.0001231500000000, -0.0000084600000000, -0.0002197300000000 ] - [ 0.0000708400000000, -0.0000021900000000, 0.0007133300000000 ] - [ -0.0001076900000000, -0.0002019100000000, 0.0000809000000000 ] - [ -0.0000835300000000, 0.0001429800000000, 0.0001818200000000 ] - [ -0.0001021000000000, -0.0000585100000000, -0.0003539500000000 ] - [ 0.0000857600000000, -0.0004195300000000, -0.0000352600000000 ] - [ -0.0001358000000000, 0.0002141200000000, -0.0015254600000000 ] - [ 0.0007046700000000, 0.0000922600000000, 0.0006658600000000 ] - [ 0.0002332400000000, 0.0000408300000000, -0.0003975000000000 ] - [ 0.0001037300000000, -0.0000091000000000, -0.0003740400000000 ] - [ 0.0000467000000000, -0.0001267000000000, -0.0024301800000000 ] - [ 0.0021607800000000, -0.0030284400000000, 0.0029349200000000 ] - [ -0.0001791900000000, 0.0000471000000000, 0.0004024100000000 ] - [ -0.0001244300000000, 0.0000639200000000, 0.0003911300000000 ] - [ 0.0003358600000000, 0.0004922500000000, -0.0003568700000000 ] - [ -0.0001777400000000, -0.0003298600000000, 0.0002142200000000 ] - [ -0.0000505400000000, -0.0001674200000000, -0.0005528500000000 ] - [ 0.0002164700000000, 0.0000050300000000, 0.0000506600000000 ] - [ 0.0000474700000000, -0.0000871000000000, 0.0003741900000000 ] - [ -0.0001011800000000, -0.0001258000000000, 0.0001972900000000 ] - [ -0.0002135400000000, 0.0005068200000000, 0.0005826900000000 ] - [ 0.0000035100000000, -0.0001321800000000, 0.0004032800000000 ] - [ -0.0017386700000000, 0.0029651800000000, 0.0031785300000000 ] - [ -0.0001520500000000, 0.0001551700000000, 0.0000523400000000 ] - [ -0.0001176500000000, -0.0000559200000000, 0.0005614500000000 ] - [ -0.0000966800000000, 0.0000193100000000, 0.0004813400000000 ] - [ 0.0001037800000000, 0.0000322600000000, 0.0002907900000000 ] - [ -0.0000559000000000, 0.0000945600000000, -0.0003746900000000 ] - [ -0.0006223600000000, -0.0002662200000000, -0.0000330500000000 ] - [ -0.0000468800000000, 0.0000862200000000, 0.0003613300000000 ] - [ -0.0000933000000000, 0.0001075600000000, -0.0003256900000000 ] - [ 0.0004921900000000, -0.0005635900000000, -0.0001588700000000 ] - [ 0.0001083400000000, -0.0000666000000000, 0.0004106100000000 ] - [ -0.0000884100000000, -0.0001728600000000, 0.0001948200000000 ] - [ -0.0008959500000000, 0.0002097100000000, -0.0000089200000000 ] - [ -0.0000554800000000, -0.0001011700000000, 0.0006369100000000 ] - [ -0.0000682800000000, 0.0001369900000000, 0.0007130700000000 ] - [ 0.0002290600000000, -0.0000408300000000, 0.0000672200000000 ] - [ -0.0006963800000000, -0.0011509900000000, 0.0000956700000000 ] - [ 0.0003718300000000, -0.0000105300000000, -0.0017655600000000 ] - [ -0.0005262100000000, 0.0009161300000000, 0.0000604000000000 ] - [ 0.0002149700000000, 0.0004790400000000, 0.0023844200000000 ] - [ 0.0005345400000000, -0.0005452200000000, 0.0011401800000000 ] - [ -0.0000216800000000, -0.0000370300000000, 0.0005415800000000 ] - [ 0.0001096400000000, 0.0003414800000000, 0.0009709500000000 ] - [ -0.0000846800000000, 0.0000725200000000, 0.0006154000000000 ] - [ -0.0003389500000000, -0.0002323900000000, -0.0031896200000000 ] - [ -0.0007410500000000, 0.0005877700000000, 0.0007558500000000 ] - [ -0.0010639800000000, 0.0001888900000000, -0.0015111300000000 ] - [ 0.0049979300000000, 0.0093788500000000, 0.0032685800000000 ] - [ -0.0001823400000000, 0.0000194400000000, 0.0009809500000000 ] - [ 0.0001551700000000, 0.0002425600000000, 0.0006312600000000 ] - [ 0.0006479900000000, -0.0012882400000000, -0.0014662800000000 ] - [ -0.0062197500000000, -0.0108778900000000, 0.0053663400000000 ] - [ 0.0011478200000000, 0.0001044200000000, 0.0000613600000000 ] - [ 0.0000585200000000, -0.0003791700000000, 0.0012236700000000 ] - [ -0.0003163000000000, -0.0000261700000000, 0.0007478600000000 ] - [ 0.0000297800000000, 0.0000149400000000, -0.0026198100000000 ] - [ 0.0018625800000000, 0.0002349600000000, -0.0052497900000000 ] - [ 0.0000627800000000, -0.0000233800000000, 0.0015276500000000 ] - [ 0.0001302700000000, -0.0004154400000000, 0.0007289100000000 ] - [ 0.0000505600000000, 0.0000920800000000, -0.0002028600000000 ] - [ 0.0003395500000000, -0.0002355500000000, -0.0003088700000000 ] - [ -0.0005156700000000, 0.0002411300000000, -0.0000461900000000 ] - [ -0.0000301000000000, 0.0000432400000000, -0.0002742500000000 ] - [ 0.0001887900000000, 0.0000490100000000, -0.0004092100000000 ] - [ 0.0035823000000000, 0.0020037300000000, 0.0004745800000000 ] - [ 0.0000530500000000, 0.0000969700000000, 0.0020361400000000 ] - [ 0.0000873300000000, 0.0004364500000000, -0.0006792900000000 ] - [ 0.0001356900000000, 0.0002171300000000, -0.0003948600000000 ] - [ -0.0003601700000000, -0.0000103500000000, -0.0004541200000000 ] - [ 0.0001691400000000, 0.0001431800000000, -0.0005856300000000 ] - [ -0.0000513500000000, 0.0000227300000000, -0.0011736900000000 ] - [ 0.0002704900000000, 0.0004775800000000, 0.0031225700000000 ] - [ -0.0001833700000000, 0.0040470600000000, 0.0005000100000000 ] - [ 0.0006779500000000, 0.0002022400000000, 0.0011284400000000 ] - [ -0.0009108300000000, -0.0000410900000000, -0.0008459100000000 ] - [ 0.0001724500000000, -0.0002435500000000, -0.0005635600000000 ] - [ -0.0002718400000000, -0.0001045100000000, -0.0000456800000000 ] - [ -0.0005805700000000, 0.0000861000000000, -0.0007076300000000 ] - [ 0.0005138300000000, 0.0008376700000000, -0.0008640000000000 ] - [ -0.0000149000000000, 0.0000099800000000, -0.0002975100000000 ] - [ -0.0020080600000000, -0.0036256800000000, -0.0029977300000000 ] - [ -0.0006861100000000, -0.0000085700000000, 0.0002292700000000 ] - [ 0.0004960100000000, -0.0003547600000000, -0.0006442500000000 ] - [ -0.0000656100000000, -0.0001366900000000, -0.0008673400000000 ] - [ 0.0001027300000000, 0.0003481000000000, -0.0007534900000000 ] - [ -0.0001098900000000, 0.0002656500000000, 0.0010884800000000 ] - [ 0.0003141200000000, -0.0006622500000000, -0.0008383800000000 ] - [ 0.0000542700000000, -0.0001214600000000, -0.0000703900000000 ] - [ -0.0000484100000000, -0.0000752800000000, -0.0002853100000000 ] - [ -0.0003525700000000, 0.0004870600000000, 0.0004884800000000 ] - [ 0.0000020000000000, -0.0000086900000000, 0.0000489400000000 ] - [ 0.0000186200000000, 0.0000170000000000, -0.0004656700000000 ] - [ -0.0000299200000000, -0.0000231700000000, -0.0002794800000000 ] - [ -0.0024951300000000, -0.0009859700000000, -0.0007244900000000 ] - [ -0.0002267500000000, 0.0001092100000000, -0.0007537300000000 ] - [ -0.0003895300000000, 0.0001769900000000, 0.0001084100000000 ] - [ 0.0000746100000000, 0.0005059200000000, 0.0000899700000000 ] - [ -0.0002066600000000, 0.0001212000000000, -0.0006737500000000 ] - [ -0.0005207000000000, -0.0005104400000000, 0.0005087500000000 ] - [ 0.0002644500000000, 0.0000145900000000, -0.0006232200000000 ] - [ 0.0001589500000000, -0.0002024000000000, -0.0004952300000000 ] - [ -0.0005926900000000, 0.0001775300000000, 0.0013835300000000 ] - [ -0.0003014100000000, -0.0000017200000000, -0.0005594900000000 ] - [ 0.0002216600000000, -0.0006335600000000, 0.0002366700000000 ] - [ -0.0003436900000000, 0.0001824400000000, 0.0000201600000000 ] - [ 0.0003199700000000, -0.0003034000000000, 0.0001121700000000 ] - [ 0.0001736000000000, -0.0001592700000000, -0.0005967400000000 ] - [ -0.0006687800000000, -0.0001912600000000, -0.0003868400000000 ] - [ 0.0003149100000000, 0.0005455700000000, 0.0034208200000000 ] - [ -0.0000581200000000, 0.0001475700000000, -0.0010156400000000 ] - [ 0.0003236700000000, -0.0005968200000000, 0.0035392100000000 ] - [ 0.0001314300000000, 0.0000014700000000, -0.0008672600000000 ] - [ -0.0000143500000000, -0.0001656200000000, 0.0009311200000000 ] - [ -0.0002261600000000, -0.0001013200000000, -0.0005946900000000 ] - [ -0.0003882800000000, 0.0009350100000000, 0.0000332000000000 ] - [ -0.0001138400000000, -0.0007218400000000, 0.0037730800000000 ] - [ -0.0004076900000000, 0.0002766900000000, -0.0006337100000000 ] - [ 0.0006884500000000, -0.0001059800000000, 0.0020078100000000 ] - [ -0.0006102600000000, -0.0005692400000000, 0.0015512100000000 ] - [ 0.0003777200000000, -0.0001033400000000, -0.0001633100000000 ] - [ 0.0001022600000000, 0.0001365700000000, -0.0000180300000000 ] - [ -0.0000697200000000, -0.0007357700000000, 0.0004875000000000 ] - [ 0.0002136900000000, -0.0001946700000000, -0.0003331700000000 ] - [ 0.0002959700000000, 0.0001849200000000, 0.0000836000000000 ] - [ -0.0001167900000000, 0.0001407100000000, -0.0006096800000000 ] - [ 0.0011794100000000, 0.0019416100000000, -0.0033112400000000 ] - [ 0.0001805600000000, 0.0003789000000000, -0.0004295400000000 ] - [ 0.0000037300000000, 0.0000057300000000, 0.0000988200000000 ] - [ 0.0005506900000000, -0.0008647900000000, -0.0009096500000000 ] - [ 0.0004780000000000, 0.0008115000000000, -0.0008667500000000 ] - [ 0.0005028700000000, -0.0028226500000000, -0.0007951700000000 ] - [ -0.0000288500000000, -0.0000082200000000, -0.0006130700000000 ] - [ -0.0009381300000000, 0.0000154000000000, -0.0008418600000000 ] - [ 0.0000733900000000, -0.0003206500000000, -0.0006373800000000 ] - [ 0.0004395900000000, -0.0008312900000000, -0.0008416100000000 ] - [ 0.0001415900000000, 0.0002781800000000, 0.0012392900000000 ] - [ 0.0006435100000000, -0.0002642800000000, 0.0004931500000000 ] - [ -0.0007126800000000, 0.0001788200000000, 0.0009879500000000 ] - [ 0.0001851500000000, -0.0000443600000000, 0.0010891100000000 ] - [ 0.0001242200000000, -0.0001155600000000, -0.0008010600000000 ] - [ 0.0008632400000000, 0.0001027700000000, 0.0000584500000000 ] - [ 0.0000915000000000, 0.0003664600000000, 0.0000142300000000 ] - [ -0.0001675700000000, -0.0000896000000000, 0.0009322600000000 ] - [ 0.0008450700000000, 0.0018234400000000, 0.0048017300000000 ] - [ -0.0002741700000000, -0.0003558100000000, -0.0019146100000000 ] - [ 0.0000925700000000, -0.0003376800000000, 0.0000148300000000 ] - [ 0.0000181800000000, -0.0000341300000000, -0.0003522400000000 ] - [ -0.0002093400000000, 0.0001797500000000, 0.0007154800000000 ] - [ 0.0002488600000000, 0.0005207800000000, -0.0009370000000000 ] - [ -0.0004754900000000, -0.0000407000000000, 0.0006556900000000 ] - [ 0.0000255300000000, -0.0000547500000000, -0.0002819700000000 ] - [ 0.0000881800000000, -0.0001922200000000, -0.0000642600000000 ] - [ -0.0000013900000000, 0.0000475400000000, -0.0005979200000000 ] - [ 0.0002377100000000, -0.0000347700000000, 0.0006689000000000 ] - [ 0.0000210700000000, 0.0000337300000000, -0.0003553600000000 ] - [ 0.0000431200000000, 0.0000264100000000, -0.0006334700000000 ] - [ -0.0000468800000000, -0.0000089300000000, -0.0004634700000000 ] - [ -0.0000403800000000, 0.0000091000000000, -0.0002825300000000 ] - [ -0.0000536200000000, -0.0001061400000000, -0.0010355900000000 ] - [ -0.0009357800000000, -0.0016009800000000, 0.0059756000000000 ] - [ 0.0000049700000000, 0.0000377200000000, -0.0006223100000000 ] - [ 0.0004645600000000, -0.0000107300000000, 0.0007358900000000 ] - [ -0.0002916900000000, -0.0000354500000000, -0.0000982300000000 ] - [ 0.0009104900000000, 0.0021524900000000, 0.0061057100000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000649800000000, 0.0002084600000000, 0.0005154400000000 ] - [ -0.0000965100000000, 0.0001735700000000, -0.0001003100000000 ] - [ -0.0042658600000000, -0.0000536200000000, -0.0032930400000000 ] - [ 0.0001845200000000, 0.0001715500000000, -0.0004771300000000 ] - [ 0.0031417800000000, -0.0000169400000000, -0.0030857300000000 ] - [ -0.0000098500000000, -0.0000510700000000, -0.0011624100000000 ] - [ 0.0002437000000000, 0.0000092500000000, -0.0002066900000000 ] - [ 0.0003883100000000, -0.0006247200000000, -0.0000824000000000 ] - [ -0.0000066300000000, 0.0002540200000000, 0.0026755000000000 ] - [ -0.0001488600000000, 0.0001958400000000, -0.0002119600000000 ] - [ 0.0002764100000000, -0.0000565900000000, -0.0005963900000000 ] - [ -0.0007071000000000, -0.0000439400000000, 0.0000405600000000 ] - [ -0.0001457500000000, -0.0002730100000000, -0.0007085200000000 ] - [ 0.0026662500000000, 0.0008538800000000, 0.0323362200000000 ] - [ 0.0001686300000000, -0.0005335200000000, 0.0000979600000000 ] - [ -0.0001870800000000, -0.0001094900000000, -0.0001109200000000 ] - [ -0.0002244200000000, 0.0001519900000000, -0.0005451500000000 ] - [ 0.0001387900000000, -0.0000122600000000, -0.0001173000000000 ] - [ -0.0000365900000000, 0.0001626800000000, -0.0002944900000000 ] - [ -0.0001551500000000, 0.0002482500000000, -0.0007655000000000 ] - [ 0.0004840800000000, 0.0000601700000000, -0.0004138400000000 ] - [ 0.0001234300000000, 0.0000438900000000, -0.0003669500000000 ] - [ -0.0004813500000000, -0.0010697300000000, 0.0000541300000000 ] - [ -0.0000101300000000, 0.0000160500000000, 0.0004926900000000 ] - [ 0.0002062500000000, 0.0000097600000000, -0.0001223300000000 ] - [ -0.0001451000000000, -0.0001745200000000, -0.0006699200000000 ] - [ -0.0000265500000000, 0.0000649600000000, -0.0005151100000000 ] - [ -0.0000508000000000, 0.0000071700000000, 0.0008558800000000 ] - [ 0.0002507200000000, 0.0006713500000000, 0.0004646200000000 ] - [ 0.0001545200000000, -0.0000486700000000, 0.0020220900000000 ] - [ 0.0000416300000000, -0.0001049600000000, -0.0006257400000000 ] - [ 0.0002745200000000, -0.0000338700000000, -0.0000431900000000 ] - [ 0.0000253900000000, 0.0001028700000000, 0.0008722500000000 ] - [ 0.0000635500000000, 0.0000072400000000, 0.0029267200000000 ] - [ -0.0017428300000000, 0.0031705600000000, -0.0032185100000000 ] - [ -0.0000691100000000, -0.0001704400000000, -0.0001487900000000 ] - [ -0.0002598900000000, 0.0005794100000000, -0.0003494600000000 ] - [ -0.0004644500000000, -0.0000643900000000, 0.0001001600000000 ] - [ -0.0001998500000000, -0.0003235800000000, -0.0001759900000000 ] - [ -0.0000807300000000, -0.0000624400000000, 0.0006704800000000 ] - [ 0.0002543400000000, 0.0000408600000000, -0.0006399900000000 ] - [ 0.0001865900000000, -0.0000954700000000, -0.0001250600000000 ] - [ -0.0000105800000000, -0.0000678600000000, -0.0005383500000000 ] - [ -0.0000081400000000, -0.0001141300000000, -0.0005948500000000 ] - [ -0.0000353200000000, -0.0001681900000000, -0.0002960700000000 ] - [ 0.0020609300000000, -0.0031803100000000, -0.0027264000000000 ] - [ -0.0001355600000000, 0.0002116400000000, -0.0006395300000000 ] - [ -0.0001266700000000, -0.0001219100000000, -0.0004532500000000 ] - [ -0.0001354300000000, 0.0001544700000000, -0.0003659800000000 ] - [ 0.0001318700000000, -0.0000237500000000, -0.0006247700000000 ] - [ -0.0001035900000000, -0.0000350400000000, 0.0008715900000000 ] - [ 0.0002343800000000, 0.0004343900000000, 0.0004599800000000 ] - [ -0.0002281300000000, 0.0000257200000000, -0.0001124500000000 ] - [ -0.0002137900000000, 0.0002102500000000, 0.0000711200000000 ] - [ -0.0005532300000000, 0.0004523400000000, 0.0004249200000000 ] - [ 0.0001586200000000, -0.0000472300000000, -0.0002956500000000 ] - [ -0.0001341300000000, -0.0002105700000000, -0.0002017900000000 ] - [ 0.0004918500000000, -0.0003773500000000, 0.0004345400000000 ] - [ -0.0000835500000000, -0.0001394900000000, -0.0000485800000000 ] - [ -0.0000638300000000, 0.0001074500000000, -0.0001227700000000 ] - [ 0.0002322200000000, -0.0000249200000000, -0.0006547600000000 ] - [ 0.0003883600000000, 0.0008136200000000, -0.0003419700000000 ] - [ -0.0000886900000000, 0.0000275300000000, 0.0018767500000000 ] - [ 0.0005765900000000, -0.0010069100000000, 0.0005234100000000 ] - [ -0.0002826600000000, -0.0003646800000000, -0.0021413400000000 ] - [ -0.0005309600000000, 0.0005437800000000, -0.0009757600000000 ] - [ 0.0000221700000000, 0.0000364200000000, -0.0015294700000000 ] - [ 0.0001712100000000, 0.0001452900000000, -0.0010735600000000 ] - [ 0.0000831400000000, -0.0000719600000000, -0.0016032900000000 ] - [ 0.0003108500000000, 0.0002713800000000, 0.0041182400000000 ] - [ 0.0007451700000000, -0.0005920200000000, -0.0014335900000000 ] - [ 0.0013012800000000, 0.0002204400000000, 0.0010524300000000 ] - [ -0.0055274900000000, -0.0094999400000000, -0.0036710200000000 ] - [ -0.0003845400000000, -0.0000195100000000, -0.0010831100000000 ] - [ -0.0001640600000000, -0.0002398700000000, -0.0004639600000000 ] - [ -0.0004175000000000, 0.0008862500000000, 0.0010002300000000 ] - [ 0.0061020600000000, 0.0108522500000000, -0.0047302300000000 ] - [ -0.0010917800000000, -0.0000087900000000, 0.0005277900000000 ] - [ 0.0002252100000000, -0.0001100400000000, -0.0013264000000000 ] - [ 0.0004471200000000, 0.0000241600000000, -0.0005128300000000 ] - [ -0.0000171400000000, -0.0000292800000000, 0.0020211000000000 ] - [ -0.0018283200000000, -0.0002328000000000, 0.0046246500000000 ] - [ -0.0000614600000000, 0.0000247300000000, -0.0008259400000000 ] - [ -0.0001978600000000, 0.0002974600000000, -0.0004919700000000 ] - [ -0.0000517800000000, -0.0000953200000000, -0.0000352100000000 ] - [ -0.0003401700000000, 0.0002313400000000, 0.0000700300000000 ] - [ 0.0005150100000000, -0.0002354500000000, 0.0003735400000000 ] - [ 0.0001470700000000, -0.0002422600000000, 0.0005279500000000 ] - [ 0.0002366400000000, 0.0001276800000000, 0.0009579400000000 ] - [ -0.0029383400000000, -0.0019967100000000, -0.0000509300000000 ] - [ -0.0000528200000000, -0.0000960200000000, -0.0009673400000000 ] - [ 0.0001105000000000, -0.0001622600000000, 0.0000286400000000 ] - [ 0.0000209300000000, 0.0000542900000000, 0.0003001300000000 ] - [ 0.0000565500000000, 0.0000182500000000, 0.0003607900000000 ] - [ 0.0000986300000000, 0.0000073900000000, 0.0000864900000000 ] - [ 0.0000495300000000, -0.0000253000000000, 0.0003540000000000 ] - [ -0.0002270600000000, -0.0005544000000000, -0.0027405300000000 ] - [ -0.0003167400000000, -0.0036365300000000, -0.0001260200000000 ] - [ 0.0004448800000000, -0.0002063900000000, -0.0003284400000000 ] - [ -0.0007512300000000, -0.0000116100000000, -0.0001218000000000 ] - [ 0.0000296700000000, -0.0000334000000000, -0.0000884600000000 ] - [ 0.0001791200000000, -0.0000556500000000, -0.0001488100000000 ] - [ 0.0002416400000000, -0.0000499200000000, 0.0000565900000000 ] - [ 0.0003559600000000, 0.0005717800000000, -0.0001047300000000 ] - [ -0.0002163900000000, -0.0000081100000000, 0.0005515400000000 ] - [ 0.0023081900000000, 0.0041248600000000, 0.0027651900000000 ] - [ 0.0012494100000000, 0.0002485700000000, 0.0001477200000000 ] - [ -0.0006233700000000, 0.0005714100000000, 0.0006514500000000 ] - [ -0.0000675800000000, -0.0000937500000000, 0.0004941500000000 ] - [ -0.0001063500000000, -0.0000414700000000, 0.0002549600000000 ] - [ 0.0000651600000000, -0.0001952100000000, -0.0006427800000000 ] - [ -0.0000849200000000, 0.0002729000000000, 0.0005022800000000 ] - [ -0.0001484000000000, 0.0002698400000000, -0.0001240800000000 ] - [ 0.0000509000000000, 0.0000787300000000, 0.0002525500000000 ] - [ 0.0002794500000000, 0.0001211100000000, -0.0001125600000000 ] - [ -0.0000046900000000, 0.0000047000000000, 0.0015792000000000 ] - [ -0.0004678300000000, -0.0000128900000000, 0.0001314900000000 ] - [ 0.0001448100000000, 0.0002225400000000, 0.0005324600000000 ] - [ 0.0022911800000000, 0.0009906300000000, 0.0003725200000000 ] - [ 0.0003643000000000, -0.0004149100000000, 0.0001062400000000 ] - [ -0.0001334400000000, -0.0001700000000000, -0.0003567800000000 ] - [ 0.0001764000000000, -0.0000486500000000, -0.0003386700000000 ] - [ -0.0000525500000000, 0.0000432700000000, 0.0001725100000000 ] - [ 0.0002057200000000, -0.0000341700000000, -0.0000822800000000 ] - [ -0.0001328400000000, -0.0000084300000000, 0.0001139800000000 ] - [ -0.0000000500000000, -0.0000576800000000, 0.0004017300000000 ] - [ 0.0005030300000000, -0.0003286100000000, -0.0010666500000000 ] - [ -0.0000288200000000, -0.0000331600000000, -0.0000890300000000 ] - [ -0.0005393800000000, 0.0011734000000000, 0.0001894600000000 ] - [ -0.0000273000000000, 0.0000945500000000, 0.0005308300000000 ] - [ -0.0000621600000000, -0.0001755500000000, -0.0003629200000000 ] - [ 0.0000983900000000, 0.0000176100000000, 0.0000953600000000 ] - [ 0.0003145700000000, -0.0000801700000000, 0.0009334200000000 ] - [ -0.0008913200000000, 0.0004176400000000, -0.0026313500000000 ] - [ -0.0000724200000000, 0.0000926000000000, 0.0006463500000000 ] - [ -0.0003241400000000, 0.0005936700000000, -0.0024572200000000 ] - [ 0.0001421800000000, 0.0000057200000000, 0.0004973300000000 ] - [ -0.0000726600000000, 0.0003232400000000, -0.0006188300000000 ] - [ -0.0000338800000000, -0.0000550800000000, 0.0000961700000000 ] - [ 0.0004879200000000, -0.0011258000000000, -0.0003714800000000 ] - [ 0.0002830700000000, 0.0007212800000000, -0.0034457300000000 ] - [ 0.0004117800000000, -0.0002751800000000, 0.0006021500000000 ] - [ -0.0006881500000000, 0.0001073700000000, -0.0029005800000000 ] - [ 0.0000610500000000, -0.0003993300000000, -0.0007499700000000 ] - [ -0.0001319700000000, 0.0001037500000000, 0.0001675800000000 ] - [ 0.0003226800000000, -0.0003186400000000, 0.0005693500000000 ] - [ -0.0000040300000000, 0.0001157200000000, -0.0001123400000000 ] - [ -0.0003368400000000, -0.0000158900000000, 0.0003378000000000 ] - [ -0.0001940100000000, -0.0000073700000000, -0.0004203000000000 ] - [ 0.0000564000000000, -0.0002440200000000, 0.0001004800000000 ] - [ -0.0010065600000000, -0.0019529600000000, 0.0031150800000000 ] - [ 0.0000453500000000, 0.0000126800000000, 0.0000938500000000 ] - [ -0.0000056500000000, -0.0000102800000000, 0.0015290100000000 ] - [ 0.0003156800000000, -0.0005518800000000, -0.0000587800000000 ] - [ 0.0003082200000000, 0.0006463500000000, -0.0001020100000000 ] - [ -0.0002292000000000, 0.0023880100000000, 0.0005313400000000 ] - [ 0.0001692200000000, 0.0003179000000000, -0.0000381000000000 ] - [ -0.0007214000000000, 0.0000263200000000, -0.0001263900000000 ] - [ -0.0000786500000000, 0.0000172000000000, 0.0001388000000000 ] - [ 0.0003458900000000, -0.0006348000000000, -0.0001260300000000 ] - [ -0.0002271900000000, -0.0004151900000000, -0.0009223900000000 ] - [ -0.0000554300000000, 0.0000256000000000, -0.0001176900000000 ] - [ 0.0006142500000000, -0.0000351800000000, -0.0006676500000000 ] - [ -0.0002289100000000, -0.0000320100000000, -0.0006425100000000 ] - [ -0.0001278700000000, 0.0001113200000000, 0.0007197900000000 ] - [ -0.0014074700000000, -0.0001196600000000, -0.0003102600000000 ] - [ -0.0001508400000000, 0.0000907000000000, 0.0005362500000000 ] - [ 0.0003279300000000, 0.0000858000000000, -0.0006145100000000 ] - [ -0.0014478000000000, -0.0023791400000000, -0.0039719300000000 ] - [ 0.0002124600000000, 0.0004692100000000, 0.0014002500000000 ] - [ -0.0001510600000000, -0.0001031200000000, 0.0005337500000000 ] - [ 0.0000245500000000, -0.0000520900000000, 0.0003041800000000 ] - [ 0.0000924000000000, -0.0003788600000000, -0.0005156600000000 ] - [ -0.0002549800000000, -0.0005426300000000, 0.0010948900000000 ] - [ 0.0000184400000000, 0.0000457100000000, -0.0003218000000000 ] - [ 0.0000020500000000, 0.0000057500000000, 0.0003132400000000 ] - [ -0.0000911000000000, 0.0001879600000000, 0.0002192000000000 ] - [ -0.0000544100000000, -0.0000477900000000, 0.0006284900000000 ] - [ -0.0000054600000000, 0.0004394900000000, -0.0003365300000000 ] - [ 0.0000213300000000, 0.0000400300000000, 0.0003015100000000 ] - [ -0.0000260800000000, 0.0000034600000000, -0.0000714600000000 ] - [ -0.0000487800000000, 0.0000029800000000, 0.0004154000000000 ] - [ 0.0000667400000000, 0.0000369000000000, 0.0003117200000000 ] - [ 0.0000392700000000, 0.0001146100000000, 0.0003286200000000 ] - [ 0.0013107100000000, 0.0014280300000000, -0.0058318500000000 ] - [ 0.0000088500000000, -0.0000468200000000, -0.0000873200000000 ] - [ -0.0002249400000000, 0.0000125900000000, -0.0005371100000000 ] - [ 0.0002788400000000, 0.0000239600000000, 0.0002545200000000 ] - [ -0.0009199500000000, -0.0017442600000000, -0.0057654400000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000804600000000, 0.0003249300000000, 0.0001549700000000 ] - [ -0.0005241300000000, 0.0006848200000000, 0.0006478300000000 ] - [ 0.0000626900000000, 0.0000209700000000, 0.0002949400000000 ] - [ 0.0003196100000000, -0.0004220300000000, 0.0000477600000000 ] - [ -0.0000938000000000, 0.0002050900000000, -0.0002642000000000 ] - [ 0.0000969400000000, -0.0001917200000000, -0.0000472000000000 ] - [ 0.0001700000000000, 0.0001391600000000, -0.0000028400000000 ] - [ -0.0001147900000000, -0.0001886400000000, -0.0002491100000000 ] - [ -0.0000358000000000, 0.0001136300000000, 0.0000828200000000 ] - [ -0.0004191300000000, 0.0003255200000000, 0.0002169300000000 ] - [ 0.0008077900000000, -0.0000487500000000, -0.0005609200000000 ] - [ -0.0000959300000000, -0.0002268400000000, -0.0000461900000000 ] - [ 0.0002566800000000, -0.0005338200000000, -0.0002510100000000 ] - [ 0.0000620100000000, -0.0000776300000000, 0.0002733000000000 ] - [ 0.0002240700000000, -0.0000643400000000, -0.0001179000000000 ] - [ 0.0003924100000000, -0.0000828900000000, 0.0037010700000000 ] - [ 0.0008628800000000, 0.0000635900000000, 0.0006140400000000 ] - [ 0.0001474900000000, -0.0001580100000000, 0.0001019000000000 ] - [ -0.0332374500000000, 0.0001565400000000, -0.0013052900000000 ] - [ 0.0007664200000000, -0.0000459000000000, 0.0003210800000000 ] - [ 0.0002515200000000, -0.0000868500000000, -0.0002162600000000 ] - [ 0.0043490200000000, -0.0035458300000000, 0.0000108900000000 ] - [ 0.0000510000000000, -0.0003014300000000, 0.0002970000000000 ] - [ -0.0001855000000000, 0.0000335600000000, 0.0001038400000000 ] - [ 0.0022594500000000, -0.0018636200000000, 0.0001856900000000 ] - [ 0.0002079800000000, 0.0003402800000000, 0.0000975900000000 ] - [ -0.0005738400000000, 0.0005631400000000, -0.0007849000000000 ] - [ -0.0001000800000000, -0.0000281400000000, 0.0002607700000000 ] - [ 0.0001843000000000, 0.0000872800000000, 0.0002525400000000 ] - [ 0.0000309200000000, 0.0000738000000000, 0.0002693600000000 ] - [ 0.0005416300000000, -0.0000828600000000, 0.0003195700000000 ] - [ 0.0001748600000000, 0.0000139600000000, -0.0002151900000000 ] - [ 0.0000517200000000, 0.0000800600000000, 0.0002709100000000 ] - [ 0.0000745300000000, -0.0000700400000000, 0.0002979600000000 ] - [ 0.0002911200000000, 0.0000532700000000, -0.0000952800000000 ] - [ 0.0001518800000000, 0.0003377400000000, -0.0002780500000000 ] - [ -0.0000926500000000, 0.0002826300000000, 0.0000055100000000 ] - [ -0.0000567200000000, 0.0001802500000000, -0.0000738700000000 ] - [ -0.0003169700000000, -0.0003231100000000, -0.0000373300000000 ] - [ -0.0000894800000000, -0.0001143800000000, 0.0001022900000000 ] - [ 0.0002893800000000, -0.0003698900000000, -0.0003021600000000 ] - [ -0.0015949200000000, 0.0011736700000000, -0.0018127200000000 ] - [ 0.0003689000000000, -0.0001302300000000, -0.0038831600000000 ] - [ -0.0000102800000000, 0.0001928700000000, -0.0000296600000000 ] - [ -0.0013153000000000, -0.0001711300000000, -0.0001125300000000 ] - [ 0.0003672600000000, -0.0001229700000000, 0.0001883500000000 ] - [ -0.0000300400000000, -0.0004066800000000, -0.0008138300000000 ] - [ 0.0014318700000000, -0.0005381100000000, 0.0000727300000000 ] - [ 0.0005558900000000, 0.0003070900000000, 0.0000542100000000 ] - [ 0.0007770500000000, 0.0000968200000000, -0.0007083700000000 ] - [ -0.0001315300000000, 0.0000451000000000, 0.0002755300000000 ] - [ -0.0001536500000000, -0.0000413900000000, 0.0001112100000000 ] - [ -0.0000332700000000, -0.0006693500000000, 0.0006718300000000 ] - [ -0.0001916200000000, 0.0002112100000000, -0.0000910400000000 ] - [ 0.0000217300000000, 0.0000419600000000, 0.0002326900000000 ] - [ 0.0001319900000000, 0.0012882400000000, 0.0000775300000000 ] - [ -0.0002592500000000, -0.0002795200000000, 0.0002463200000000 ] - [ -0.0002479700000000, -0.0000639800000000, 0.0000036700000000 ] - [ -0.0023287800000000, -0.0002909100000000, 0.0002610900000000 ] - [ 0.0005874700000000, 0.0002647000000000, 0.0002539300000000 ] - [ -0.0012670200000000, 0.0011091000000000, 0.0012713700000000 ] - [ -0.0001429200000000, -0.0001969700000000, -0.0001234600000000 ] - [ 0.0001436000000000, -0.0000112500000000, 0.0000592000000000 ] - [ -0.0000231600000000, -0.0000520000000000, 0.0002947000000000 ] - [ 0.0022604900000000, -0.0003315700000000, 0.0006949600000000 ] - [ 0.0000629400000000, 0.0002341600000000, 0.0006028600000000 ] - [ 0.0007981000000000, -0.0019582500000000, -0.0008550800000000 ] - [ -0.0001364800000000, 0.0005609400000000, -0.0000018600000000 ] - [ 0.0110038500000000, 0.0042124300000000, 0.0020331300000000 ] - [ -0.0000322000000000, 0.0000342100000000, 0.0005322400000000 ] - [ -0.0003140900000000, 0.0001364500000000, -0.0016068600000000 ] - [ -0.0000289000000000, 0.0002256300000000, -0.0001988800000000 ] - [ -0.0000697900000000, -0.0000332800000000, -0.0001742400000000 ] - [ -0.0016841100000000, -0.0016031300000000, 0.0077204200000000 ] - [ 0.0001787900000000, -0.0004343500000000, 0.0001240600000000 ] - [ 0.0000873800000000, -0.0001948600000000, -0.0001692600000000 ] - [ 0.0002596100000000, -0.0000392400000000, 0.0001877300000000 ] - [ -0.0002338800000000, 0.0001107900000000, 0.0009340100000000 ] - [ 0.0020481100000000, -0.0006189500000000, -0.0006340300000000 ] - [ -0.0011927400000000, -0.0025086200000000, -0.0026804800000000 ] - [ 0.0000316200000000, -0.0000711800000000, -0.0002333800000000 ] - [ -0.0000029300000000, 0.0000421100000000, -0.0003966900000000 ] - [ 0.0082085900000000, 0.0114467900000000, 0.0030026500000000 ] - [ -0.0001768300000000, 0.0004848200000000, 0.0002300600000000 ] - [ -0.0000681000000000, 0.0002093900000000, -0.0001499900000000 ] - [ -0.0001335500000000, -0.0001705700000000, 0.0003257700000000 ] - [ 0.0000380300000000, -0.0001003300000000, -0.0002293400000000 ] - [ 0.0001757900000000, -0.0041455600000000, 0.0004290200000000 ] - [ -0.0006560400000000, 0.0000768300000000, 0.0002584400000000 ] - [ 0.0001401200000000, 0.0000272100000000, 0.0002406200000000 ] - [ -0.0000120100000000, 0.0000324100000000, 0.0004916300000000 ] - [ 0.0000454100000000, 0.0000246500000000, -0.0004802700000000 ] - [ 0.0003880900000000, 0.0001341400000000, 0.0000641800000000 ] - [ -0.0006768600000000, 0.0001798700000000, -0.0015004500000000 ] - [ 0.0014473100000000, 0.0015553700000000, -0.0020990400000000 ] - [ -0.0015144200000000, -0.0022449500000000, -0.0027472100000000 ] - [ 0.0000025700000000, 0.0000048200000000, 0.0001838200000000 ] - [ -0.0003639200000000, 0.0002722800000000, 0.0002180000000000 ] - [ 0.0005878000000000, -0.0000104100000000, 0.0003658700000000 ] - [ 0.0025986100000000, 0.0029802100000000, -0.0016660700000000 ] - [ 0.0000071600000000, 0.0001161500000000, -0.0002040000000000 ] - [ 0.0001991600000000, -0.0000779200000000, -0.0006844000000000 ] - [ -0.0001627800000000, -0.0001031000000000, -0.0005844200000000 ] - [ 0.0003274600000000, 0.0016200500000000, -0.0005286500000000 ] - [ -0.0040964300000000, -0.0019153000000000, 0.0004471500000000 ] - [ 0.0000660600000000, 0.0002247900000000, -0.0001351700000000 ] - [ 0.0003138500000000, 0.0001426200000000, 0.0000269000000000 ] - [ -0.0000945300000000, 0.0001493400000000, 0.0002989600000000 ] - [ 0.0000529300000000, -0.0005057500000000, -0.0001876100000000 ] - [ -0.0007107500000000, 0.0000247000000000, -0.0000611300000000 ] - [ -0.0000153600000000, 0.0000320300000000, 0.0001820600000000 ] - [ -0.0006884200000000, 0.0002711300000000, -0.0000029100000000 ] - [ -0.0000190500000000, 0.0000501800000000, -0.0000946600000000 ] - [ -0.0000330200000000, 0.0000800300000000, -0.0000439500000000 ] - [ 0.0001664700000000, 0.0001211500000000, 0.0000278000000000 ] - [ -0.0018783700000000, -0.0007394400000000, -0.0013036300000000 ] - [ 0.0004542000000000, 0.0007541400000000, 0.0011952500000000 ] - [ 0.0044101900000000, -0.0018119100000000, -0.0018088600000000 ] - [ -0.0002058400000000, 0.0000159100000000, -0.0002354900000000 ] - [ 0.0000057800000000, -0.0002939000000000, -0.0005964300000000 ] - [ -0.0002453200000000, -0.0000285300000000, -0.0001410100000000 ] - [ 0.0001546400000000, 0.0002369600000000, -0.0001554100000000 ] - [ -0.0011943600000000, 0.0003759200000000, 0.0000420100000000 ] - [ -0.0000248900000000, -0.0001623600000000, 0.0000244600000000 ] - [ 0.0001741200000000, 0.0002519800000000, 0.0006943000000000 ] - [ -0.0005851600000000, 0.0003421500000000, 0.0002024000000000 ] - [ -0.0000258100000000, -0.0000706700000000, 0.0001751900000000 ] - [ -0.0002852900000000, 0.0001414100000000, -0.0003875000000000 ] - [ -0.0001855500000000, 0.0002745600000000, 0.0001983200000000 ] - [ -0.0000598700000000, -0.0002749700000000, 0.0002890300000000 ] - [ 0.0002117600000000, -0.0002761600000000, -0.0001552200000000 ] - [ 0.0020943400000000, -0.0005546400000000, -0.0019497500000000 ] - [ -0.0016911700000000, 0.0002730600000000, -0.0005225600000000 ] - [ -0.0002732600000000, 0.0004596500000000, 0.0003489700000000 ] - [ -0.0009627200000000, 0.0004063700000000, 0.0001685600000000 ] - [ 0.0000017600000000, -0.0000172200000000, 0.0006555100000000 ] - [ 0.0032538300000000, -0.0008491400000000, -0.0019155100000000 ] - [ -0.0000632700000000, 0.0001229000000000, 0.0001313600000000 ] - [ 0.0000442900000000, -0.0003568600000000, -0.0002070800000000 ] - [ 0.0000435300000000, -0.0001066400000000, -0.0001965300000000 ] - [ 0.0000482500000000, -0.0000049400000000, 0.0001741400000000 ] - [ -0.0000041900000000, -0.0000365900000000, -0.0002732700000000 ] - [ 0.0000114600000000, -0.0000078200000000, -0.0004631900000000 ] - [ -0.0002768400000000, -0.0004942400000000, 0.0003622600000000 ] - [ 0.0005526600000000, -0.0000406500000000, 0.0002528700000000 ] - [ 0.0001414200000000, -0.0003879500000000, 0.0001005200000000 ] - [ 0.0000195300000000, -0.0002826600000000, 0.0002018400000000 ] - [ -0.0001237600000000, -0.0003184500000000, 0.0003253300000000 ] - [ 0.0001044100000000, 0.0001008900000000, -0.0001856800000000 ] - [ 0.0000074700000000, -0.0001248700000000, -0.0003623400000000 ] - [ -0.0001225600000000, 0.0000329200000000, -0.0000136300000000 ] - [ 0.0004771600000000, 0.0000303200000000, -0.0000831400000000 ] - [ -0.0002179500000000, 0.0005189600000000, 0.0010546700000000 ] - [ -0.0024594100000000, -0.0007229600000000, -0.0005476200000000 ] - [ -0.0024223600000000, -0.0018099200000000, -0.0000532100000000 ] - [ 0.0000736800000000, -0.0001954800000000, -0.0001214200000000 ] - [ 0.0000251800000000, 0.0003765400000000, -0.0004096900000000 ] - [ -0.0012611900000000, 0.0005033300000000, -0.0004692700000000 ] - [ -0.0000363900000000, -0.0003215100000000, -0.0002445700000000 ] - [ -0.0001382500000000, 0.0006654800000000, -0.0002309600000000 ] - [ -0.0000483900000000, -0.0000452600000000, 0.0001400400000000 ] - [ 0.0003291600000000, -0.0001718500000000, 0.0001856200000000 ] - [ -0.0000142400000000, 0.0000247400000000, 0.0001794300000000 ] - [ 0.0000109200000000, -0.0000432300000000, 0.0001847900000000 ] - [ 0.0000385100000000, -0.0001942500000000, 0.0009750700000000 ] - [ -0.0002059200000000, 0.0000033500000000, -0.0000883400000000 ] - [ 0.0008716300000000, 0.0012003600000000, 0.0001933600000000 ] - [ 0.0000722500000000, 0.0000129900000000, 0.0001400200000000 ] - [ -0.0003824700000000, -0.0002326200000000, 0.0002070000000000 ] - [ -0.0004684100000000, 0.0001219500000000, -0.0006744400000000 ] - [ 0.0024391600000000, 0.0001905500000000, 0.0004845500000000 ] - [ 0.0001219700000000, -0.0004766000000000, 0.0000397900000000 ] - [ -0.0000459300000000, -0.0001091600000000, 0.0000678500000000 ] - [ -0.0000900400000000, 0.0000231500000000, 0.0001317700000000 ] - [ -0.0002003400000000, 0.0000071100000000, 0.0001347600000000 ] - [ 0.0001216900000000, -0.0004676500000000, 0.0000096600000000 ] - [ 0.0000100900000000, -0.0000494200000000, 0.0000884100000000 ] - [ -0.0009159700000000, 0.0003010800000000, 0.0000865100000000 ] - [ 0.0001197900000000, 0.0001860500000000, 0.0001522300000000 ] - [ 0.0038854900000000, 0.0003092300000000, 0.0002273000000000 ] - [ 0.0003509300000000, -0.0000317500000000, 0.0001338900000000 ] - [ -0.0010328500000000, 0.0003675800000000, -0.0000545000000000 ] - [ 0.0053883000000000, -0.0022942300000000, 0.0022097600000000 ] - [ -0.0003220000000000, 0.0000439700000000, -0.0004033900000000 ] - [ 0.0000876300000000, -0.0001866500000000, 0.0001552600000000 ] - [ 0.0001091700000000, 0.0000244200000000, -0.0003922200000000 ] - [ 0.0001592400000000, 0.0000002000000000, 0.0001678400000000 ] - [ 0.0000602900000000, 0.0000155900000000, -0.0001367700000000 ] - [ -0.0001122600000000, 0.0001172300000000, 0.0000359200000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001318100000000, 0.0000936900000000, 0.0002752100000000 ] - [ 0.0004146300000000, -0.0004600500000000, -0.0003138600000000 ] - [ -0.0001139300000000, 0.0000832300000000, -0.0000158900000000 ] - [ -0.0003029600000000, 0.0001451700000000, 0.0001958800000000 ] - [ -0.0001568200000000, 0.0002429400000000, -0.0001814400000000 ] - [ -0.0003190700000000, -0.0001930200000000, 0.0000411100000000 ] - [ 0.0002829300000000, -0.0001352200000000, -0.0000077800000000 ] - [ -0.0001463000000000, -0.0002634400000000, -0.0001929300000000 ] - [ -0.0000919400000000, 0.0001305300000000, 0.0000346200000000 ] - [ 0.0001852500000000, 0.0000639400000000, -0.0002305200000000 ] - [ -0.0007923400000000, 0.0003372200000000, 0.0007937600000000 ] - [ -0.0000432600000000, -0.0002107100000000, -0.0002047400000000 ] - [ -0.0004566100000000, 0.0001281100000000, -0.0003327600000000 ] - [ -0.0000319900000000, -0.0000784700000000, 0.0002294400000000 ] - [ 0.0002068400000000, -0.0000434900000000, -0.0001403100000000 ] - [ -0.0005017800000000, -0.0001189200000000, -0.0033812900000000 ] - [ -0.0006132000000000, -0.0000492700000000, -0.0002811600000000 ] - [ 0.0000965100000000, 0.0003175200000000, 0.0001363000000000 ] - [ 0.0335601000000000, -0.0000320300000000, 0.0013222200000000 ] - [ -0.0009600600000000, 0.0004714600000000, -0.0009014100000000 ] - [ 0.0002042700000000, 0.0000793500000000, 0.0002054100000000 ] - [ -0.0041159600000000, 0.0037146400000000, 0.0001012400000000 ] - [ 0.0000036500000000, -0.0001302200000000, 0.0001289000000000 ] - [ 0.0003023600000000, -0.0000262900000000, 0.0001769500000000 ] - [ -0.0019653200000000, 0.0018507100000000, 0.0003991400000000 ] - [ -0.0004593100000000, -0.0007124300000000, -0.0006804300000000 ] - [ 0.0004679700000000, -0.0003587800000000, 0.0004541600000000 ] - [ -0.0000503000000000, -0.0000237500000000, 0.0002422100000000 ] - [ 0.0001519700000000, 0.0001664200000000, 0.0001780100000000 ] - [ -0.0000148800000000, 0.0000829500000000, 0.0002299500000000 ] - [ 0.0002054600000000, 0.0000706800000000, -0.0002787600000000 ] - [ 0.0003383700000000, -0.0000068900000000, -0.0002306400000000 ] - [ 0.0000760300000000, 0.0000124200000000, 0.0002283900000000 ] - [ 0.0000557700000000, -0.0000369400000000, 0.0002001000000000 ] - [ 0.0001456400000000, 0.0000509300000000, -0.0001634900000000 ] - [ -0.0003994400000000, -0.0004597400000000, 0.0005211400000000 ] - [ -0.0002918200000000, 0.0003599600000000, 0.0000368000000000 ] - [ -0.0000717200000000, 0.0002500400000000, -0.0001855200000000 ] - [ -0.0000609900000000, -0.0003311900000000, 0.0000746000000000 ] - [ -0.0000418600000000, -0.0001128200000000, 0.0000210800000000 ] - [ 0.0001786900000000, 0.0004181900000000, -0.0002827300000000 ] - [ 0.0018103000000000, -0.0013628700000000, 0.0020612800000000 ] - [ -0.0004692800000000, -0.0000586400000000, 0.0035607100000000 ] - [ -0.0002132200000000, 0.0002011100000000, 0.0000189900000000 ] - [ 0.0012862500000000, -0.0001254600000000, 0.0002119300000000 ] - [ -0.0000286000000000, -0.0001267200000000, 0.0002379300000000 ] - [ -0.0002540200000000, 0.0007692200000000, 0.0002292500000000 ] - [ -0.0016788900000000, 0.0003559900000000, 0.0000279900000000 ] - [ -0.0007933400000000, -0.0001323800000000, 0.0000541800000000 ] - [ -0.0005466000000000, -0.0000894400000000, 0.0003778100000000 ] - [ -0.0000262600000000, 0.0000139500000000, 0.0002223800000000 ] - [ -0.0002330200000000, 0.0002108700000000, 0.0003166300000000 ] - [ -0.0002381300000000, 0.0007785700000000, -0.0004308700000000 ] - [ -0.0001174000000000, 0.0001082100000000, -0.0001671600000000 ] - [ -0.0000864900000000, -0.0001545300000000, 0.0000403900000000 ] - [ 0.0001393400000000, -0.0014058500000000, 0.0000296300000000 ] - [ 0.0000376100000000, -0.0001040600000000, -0.0002544500000000 ] - [ -0.0001544900000000, -0.0001061200000000, 0.0004237700000000 ] - [ 0.0021855700000000, 0.0000242500000000, 0.0003211800000000 ] - [ -0.0007208000000000, -0.0000163000000000, 0.0003289100000000 ] - [ 0.0017115000000000, -0.0011796900000000, -0.0018599800000000 ] - [ -0.0001667200000000, -0.0001420200000000, -0.0001271500000000 ] - [ 0.0001314700000000, 0.0000227000000000, 0.0000582100000000 ] - [ 0.0000747500000000, -0.0000370400000000, 0.0002960000000000 ] - [ -0.0023324100000000, 0.0004488600000000, -0.0004640900000000 ] - [ -0.0000591300000000, -0.0002397300000000, -0.0004386300000000 ] - [ -0.0007989300000000, 0.0019550800000000, -0.0001356700000000 ] - [ 0.0004133000000000, -0.0000779900000000, -0.0000956900000000 ] - [ -0.0109949400000000, -0.0041211600000000, -0.0030397000000000 ] - [ 0.0000331300000000, -0.0000331200000000, 0.0003697600000000 ] - [ 0.0003161200000000, -0.0001367800000000, 0.0009357400000000 ] - [ 0.0002657400000000, 0.0001839800000000, -0.0002700100000000 ] - [ -0.0003968200000000, 0.0000324400000000, -0.0003010700000000 ] - [ 0.0010954800000000, 0.0016123400000000, -0.0078383600000000 ] - [ -0.0001869000000000, 0.0004380900000000, 0.0000387000000000 ] - [ 0.0001444800000000, -0.0002074300000000, -0.0003065100000000 ] - [ -0.0003651200000000, 0.0000378100000000, 0.0004001700000000 ] - [ 0.0002909200000000, -0.0000151700000000, -0.0003339300000000 ] - [ -0.0017646700000000, 0.0001310600000000, 0.0005425600000000 ] - [ 0.0012746700000000, 0.0025374800000000, 0.0029192200000000 ] - [ -0.0000163200000000, 0.0000618800000000, -0.0003600200000000 ] - [ -0.0000128800000000, -0.0000335600000000, -0.0001972300000000 ] - [ -0.0082684200000000, -0.0114740700000000, -0.0022753600000000 ] - [ 0.0001047600000000, -0.0006085200000000, 0.0000067200000000 ] - [ 0.0000663600000000, -0.0002135300000000, -0.0000883500000000 ] - [ 0.0001322400000000, 0.0001670900000000, -0.0005624700000000 ] - [ -0.0000375200000000, 0.0001044400000000, 0.0005584000000000 ] - [ -0.0000610300000000, 0.0039692300000000, -0.0001781000000000 ] - [ 0.0010809200000000, 0.0000985200000000, 0.0002916800000000 ] - [ 0.0004876200000000, -0.0000317200000000, 0.0001861200000000 ] - [ 0.0000109300000000, -0.0000335900000000, 0.0005744400000000 ] - [ 0.0001525200000000, 0.0002508600000000, -0.0001699400000000 ] - [ -0.0002283500000000, 0.0001417300000000, -0.0001580500000000 ] - [ 0.0003843600000000, -0.0001708000000000, 0.0014144700000000 ] - [ -0.0011822600000000, -0.0014099000000000, 0.0016033400000000 ] - [ 0.0015229300000000, 0.0022567200000000, 0.0019389100000000 ] - [ 0.0000802900000000, -0.0000093700000000, 0.0002661700000000 ] - [ -0.0001379000000000, 0.0001182700000000, 0.0001591700000000 ] - [ 0.0005186400000000, 0.0000151600000000, 0.0004380700000000 ] - [ -0.0039579600000000, -0.0027642300000000, 0.0006798200000000 ] - [ 0.0001943500000000, -0.0003930100000000, -0.0004458400000000 ] - [ -0.0002929200000000, -0.0000816400000000, 0.0004836400000000 ] - [ -0.0001760000000000, 0.0001401000000000, -0.0000651700000000 ] - [ 0.0005427400000000, -0.0002093400000000, -0.0004415200000000 ] - [ 0.0038629600000000, 0.0019103600000000, -0.0001992100000000 ] - [ 0.0002042400000000, 0.0002199200000000, -0.0001118100000000 ] - [ 0.0002485400000000, 0.0000981500000000, 0.0003492000000000 ] - [ -0.0000299200000000, 0.0000643900000000, -0.0002943900000000 ] - [ -0.0001845600000000, 0.0002765900000000, -0.0001853800000000 ] - [ 0.0007069500000000, 0.0002829100000000, -0.0004386800000000 ] - [ -0.0000300600000000, 0.0000373300000000, 0.0002676800000000 ] - [ 0.0009176300000000, -0.0006617100000000, -0.0003339200000000 ] - [ -0.0000754500000000, 0.0000968900000000, -0.0001018900000000 ] - [ 0.0000349400000000, -0.0000773800000000, 0.0000131800000000 ] - [ -0.0002402700000000, 0.0004876100000000, 0.0003481100000000 ] - [ 0.0018719000000000, 0.0007249500000000, 0.0029292900000000 ] - [ -0.0008859100000000, -0.0007486800000000, -0.0015198600000000 ] - [ -0.0048089000000000, 0.0018148300000000, 0.0021506000000000 ] - [ -0.0000064000000000, -0.0000245200000000, -0.0000996400000000 ] - [ 0.0001300500000000, -0.0000094200000000, -0.0000510500000000 ] - [ -0.0002765800000000, 0.0000352200000000, -0.0001054200000000 ] - [ 0.0000946000000000, 0.0002183900000000, -0.0000910900000000 ] - [ 0.0009323000000000, -0.0002128000000000, -0.0005448400000000 ] - [ -0.0002898200000000, -0.0003823700000000, 0.0004028900000000 ] - [ -0.0000347400000000, -0.0002555300000000, -0.0012160200000000 ] - [ 0.0007449300000000, -0.0006055800000000, -0.0002973900000000 ] - [ -0.0000522200000000, -0.0000753700000000, 0.0001432100000000 ] - [ -0.0000451900000000, -0.0001768200000000, -0.0002590100000000 ] - [ -0.0001318200000000, 0.0002650700000000, 0.0002283200000000 ] - [ -0.0003097700000000, 0.0005530700000000, 0.0002607700000000 ] - [ 0.0000447800000000, -0.0002010200000000, -0.0000930600000000 ] - [ -0.0018108800000000, 0.0004020300000000, 0.0014601700000000 ] - [ 0.0013388600000000, -0.0005476300000000, 0.0010720000000000 ] - [ -0.0002763700000000, 0.0005014400000000, 0.0004551600000000 ] - [ 0.0008330900000000, -0.0001680700000000, -0.0005418900000000 ] - [ -0.0000020800000000, 0.0000159100000000, 0.0004112400000000 ] - [ -0.0029323100000000, 0.0007701000000000, 0.0016054000000000 ] - [ -0.0000235200000000, 0.0000318200000000, 0.0001830000000000 ] - [ -0.0003036900000000, 0.0002004800000000, -0.0002905700000000 ] - [ 0.0000553200000000, -0.0000823200000000, -0.0001389500000000 ] - [ 0.0001293900000000, 0.0000072700000000, 0.0001402500000000 ] - [ 0.0000059200000000, 0.0000397900000000, 0.0002417200000000 ] - [ -0.0000099100000000, 0.0000109200000000, -0.0004114100000000 ] - [ -0.0002748500000000, -0.0004611500000000, 0.0004420500000000 ] - [ -0.0003078600000000, 0.0000399600000000, -0.0002479800000000 ] - [ 0.0002843700000000, 0.0002072800000000, 0.0004490500000000 ] - [ -0.0000947200000000, -0.0003395600000000, 0.0001750000000000 ] - [ 0.0000014100000000, 0.0001070000000000, -0.0003210100000000 ] - [ -0.0000028100000000, 0.0000753800000000, -0.0001490900000000 ] - [ -0.0000668400000000, 0.0000220800000000, -0.0001475800000000 ] - [ 0.0002979600000000, -0.0000400200000000, -0.0001819100000000 ] - [ -0.0002483300000000, 0.0003656700000000, -0.0002569700000000 ] - [ 0.0002158400000000, -0.0005233000000000, 0.0005733400000000 ] - [ 0.0033151700000000, -0.0007148700000000, -0.0004243600000000 ] - [ 0.0032249200000000, 0.0032628900000000, -0.0009116400000000 ] - [ 0.0001934600000000, -0.0002535600000000, -0.0001250800000000 ] - [ 0.0001144100000000, -0.0000685900000000, -0.0002393800000000 ] - [ -0.0003981600000000, -0.0004623300000000, -0.0005000500000000 ] - [ 0.0000317700000000, 0.0000181500000000, -0.0002533300000000 ] - [ 0.0009213800000000, -0.0021303600000000, -0.0007379100000000 ] - [ -0.0000392300000000, -0.0000953900000000, 0.0001782500000000 ] - [ 0.0002591600000000, -0.0000678700000000, 0.0001911600000000 ] - [ -0.0000686800000000, 0.0001096200000000, 0.0001405900000000 ] - [ -0.0000556100000000, -0.0000339100000000, 0.0002661700000000 ] - [ -0.0000426200000000, 0.0001892200000000, -0.0010581700000000 ] - [ -0.0003362500000000, -0.0000196200000000, -0.0001601500000000 ] - [ -0.0009263200000000, -0.0007532700000000, 0.0003518100000000 ] - [ 0.0000853100000000, -0.0000175600000000, 0.0001799300000000 ] - [ -0.0001178500000000, -0.0001423800000000, 0.0001704000000000 ] - [ 0.0004086600000000, -0.0000066100000000, 0.0001678900000000 ] - [ -0.0024890300000000, -0.0006420600000000, 0.0000609600000000 ] - [ -0.0000812500000000, 0.0003896300000000, -0.0000877600000000 ] - [ -0.0000694600000000, -0.0000905000000000, 0.0001276800000000 ] - [ 0.0000865900000000, -0.0000412100000000, 0.0000252000000000 ] - [ -0.0002580800000000, -0.0000015100000000, 0.0002020800000000 ] - [ -0.0000970800000000, 0.0004194200000000, 0.0000291100000000 ] - [ -0.0000126300000000, 0.0000447200000000, 0.0000676800000000 ] - [ 0.0008613300000000, -0.0002994100000000, -0.0000465200000000 ] - [ 0.0001135500000000, 0.0002183600000000, 0.0001831200000000 ] - [ -0.0038729300000000, -0.0001928900000000, -0.0002465900000000 ] - [ -0.0003355200000000, 0.0000617600000000, -0.0008349700000000 ] - [ 0.0009366600000000, -0.0003710600000000, 0.0000047500000000 ] - [ -0.0054070000000000, 0.0024485400000000, -0.0022708600000000 ] - [ 0.0003080700000000, -0.0000361100000000, -0.0003057600000000 ] - [ 0.0001462500000000, -0.0002074500000000, 0.0001815500000000 ] - [ -0.0000964200000000, -0.0000343000000000, -0.0003161800000000 ] - [ 0.0000781800000000, 0.0000021600000000, 0.0000248700000000 ] - [ -0.0000742800000000, -0.0000275000000000, 0.0002952500000000 ] - [ -0.0000045800000000, 0.0000895600000000, 0.0001587500000000 ]- atom: 19 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0001479300000000, 0.0001801100000000, 0.0001070000000000 ] - [ 0.0005835400000000, 0.0003843900000000, 0.0003386400000000 ] - [ -0.0000633400000000, -0.0000597400000000, 0.0000215200000000 ] - [ -0.0004901000000000, 0.0002907400000000, 0.0001933700000000 ] - [ -0.0001340400000000, 0.0001880700000000, -0.0002157800000000 ] - [ -0.0002090800000000, -0.0002872700000000, 0.0000691100000000 ] - [ 0.0003709900000000, 0.0000493700000000, 0.0000671300000000 ] - [ -0.0001112600000000, -0.0002021900000000, -0.0002228700000000 ] - [ -0.0000858100000000, 0.0001553000000000, 0.0000250100000000 ] - [ 0.0001621700000000, -0.0002586000000000, -0.0003973800000000 ] - [ -0.0005739500000000, -0.0002261400000000, 0.0002864400000000 ] - [ -0.0000750300000000, -0.0002906100000000, -0.0002044100000000 ] - [ -0.0007491100000000, 0.0003657900000000, -0.0003329800000000 ] - [ -0.0000083400000000, -0.0001089100000000, 0.0002171600000000 ] - [ 0.0001898700000000, -0.0000185300000000, -0.0001209200000000 ] - [ -0.0002013600000000, -0.0019282900000000, -0.0016311100000000 ] - [ 0.0000129600000000, -0.0000254300000000, 0.0001169700000000 ] - [ -0.0000047000000000, 0.0007395500000000, 0.0001957400000000 ] - [ 0.0168591600000000, -0.0298029700000000, 0.0061880900000000 ] - [ -0.0007789600000000, -0.0003206600000000, -0.0004035000000000 ] - [ 0.0001378800000000, -0.0000242200000000, 0.0002699100000000 ] - [ -0.0053006000000000, 0.0018334900000000, 0.0001065500000000 ] - [ -0.0000175300000000, -0.0000964100000000, 0.0000961300000000 ] - [ 0.0002921000000000, -0.0000748400000000, 0.0003784500000000 ] - [ -0.0025568600000000, 0.0007951300000000, 0.0005598000000000 ] - [ -0.0000180500000000, -0.0000604600000000, -0.0002265400000000 ] - [ 0.0007178400000000, 0.0004612900000000, -0.0002639300000000 ] - [ -0.0000638700000000, -0.0000101000000000, 0.0002528000000000 ] - [ 0.0000912700000000, 0.0002261000000000, 0.0001017800000000 ] - [ -0.0000070600000000, 0.0001144800000000, 0.0002149900000000 ] - [ 0.0000577500000000, -0.0000061600000000, -0.0004619000000000 ] - [ 0.0003163700000000, -0.0000254200000000, -0.0003010400000000 ] - [ 0.0001025500000000, 0.0000548600000000, 0.0002151900000000 ] - [ 0.0000459600000000, -0.0000593200000000, 0.0001719100000000 ] - [ 0.0001903800000000, 0.0000454500000000, -0.0001327100000000 ] - [ -0.0000288700000000, 0.0000403600000000, 0.0000599500000000 ] - [ -0.0002400300000000, 0.0004555300000000, 0.0000762500000000 ] - [ -0.0000952300000000, 0.0002735600000000, -0.0002168800000000 ] - [ -0.0001222300000000, -0.0002881100000000, 0.0003148600000000 ] - [ -0.0000536300000000, -0.0001003400000000, -0.0000150000000000 ] - [ 0.0000765100000000, 0.0008577800000000, -0.0003326800000000 ] - [ 0.0020454500000000, -0.0007755400000000, -0.0020661500000000 ] - [ -0.0002513400000000, -0.0020834500000000, 0.0017721800000000 ] - [ -0.0001820600000000, 0.0003138300000000, 0.0000721600000000 ] - [ 0.0006504700000000, 0.0027729000000000, 0.0002394500000000 ] - [ 0.0000852000000000, -0.0001283200000000, 0.0001209100000000 ] - [ -0.0007688200000000, 0.0011904900000000, 0.0007879100000000 ] - [ -0.0005059300000000, -0.0003152900000000, 0.0000953400000000 ] - [ -0.0003343000000000, 0.0003846800000000, 0.0000932700000000 ] - [ -0.0000421600000000, -0.0000313300000000, -0.0000844500000000 ] - [ -0.0000421600000000, -0.0000366700000000, 0.0002087800000000 ] - [ -0.0003260600000000, 0.0003112700000000, 0.0004287500000000 ] - [ -0.0007530500000000, 0.0011727000000000, -0.0009538000000000 ] - [ -0.0001191800000000, 0.0001481300000000, -0.0001212100000000 ] - [ 0.0000086400000000, 0.0000083600000000, 0.0000437100000000 ] - [ 0.0005214400000000, 0.0001697800000000, 0.0000948300000000 ] - [ 0.0000374400000000, 0.0000493600000000, -0.0005358900000000 ] - [ -0.0002607100000000, -0.0003418900000000, 0.0004426600000000 ] - [ 0.0011331000000000, 0.0056328800000000, 0.0000829500000000 ] - [ -0.0002045100000000, 0.0004602600000000, 0.0003450700000000 ] - [ 0.0018330600000000, -0.0009414800000000, 0.0015029800000000 ] - [ -0.0001719800000000, -0.0001308800000000, -0.0001173300000000 ] - [ 0.0001202700000000, 0.0000031100000000, 0.0000605400000000 ] - [ 0.0001943600000000, 0.0002564000000000, 0.0004419800000000 ] - [ -0.0020223800000000, 0.0000329200000000, -0.0005743200000000 ] - [ 0.0001625200000000, -0.0004392300000000, 0.0000335600000000 ] - [ -0.0020635200000000, 0.0036049800000000, 0.0001100800000000 ] - [ 0.0010112500000000, 0.0017416000000000, 0.0005331900000000 ] - [ 0.0028682700000000, -0.0026859300000000, 0.0003681900000000 ] - [ 0.0000731100000000, -0.0000484300000000, 0.0003804200000000 ] - [ 0.0005924000000000, -0.0001646100000000, -0.0002311900000000 ] - [ 0.0002171400000000, 0.0000661400000000, -0.0002499700000000 ] - [ -0.0004027300000000, 0.0000010300000000, -0.0003137600000000 ] - [ -0.0006684100000000, 0.0011620400000000, -0.0148503100000000 ] - [ -0.0004659700000000, 0.0008054700000000, 0.0000477200000000 ] - [ 0.0001989500000000, -0.0000548500000000, -0.0003229300000000 ] - [ -0.0004039500000000, 0.0000009600000000, 0.0004261400000000 ] - [ 0.0002292100000000, -0.0002786800000000, -0.0008852700000000 ] - [ -0.0015000200000000, -0.0002464700000000, 0.0004838900000000 ] - [ -0.0017126600000000, 0.0028263100000000, 0.0056665300000000 ] - [ -0.0000602700000000, 0.0001146400000000, -0.0003688700000000 ] - [ -0.0000018500000000, -0.0000725600000000, -0.0003571400000000 ] - [ 0.0009736500000000, -0.0041183000000000, -0.0004742200000000 ] - [ 0.0009214000000000, 0.0015530900000000, -0.0005814900000000 ] - [ 0.0002104400000000, -0.0003737400000000, -0.0000592100000000 ] - [ -0.0000294100000000, 0.0002644200000000, -0.0000800400000000 ] - [ -0.0001580600000000, 0.0001128600000000, 0.0002011600000000 ] - [ -0.0015267500000000, 0.0015567300000000, -0.0000762100000000 ] - [ 0.0008211700000000, 0.0004243900000000, 0.0003210100000000 ] - [ 0.0005468200000000, -0.0000016700000000, 0.0001433000000000 ] - [ 0.0000330500000000, -0.0000595100000000, 0.0005592400000000 ] - [ 0.0001015900000000, 0.0002802100000000, -0.0004080600000000 ] - [ -0.0005192100000000, -0.0008864000000000, -0.0004311600000000 ] - [ 0.0020709400000000, 0.0001474300000000, 0.0031995900000000 ] - [ -0.0011848800000000, -0.0017619800000000, 0.0028167700000000 ] - [ -0.0002239700000000, 0.0009741300000000, 0.0001278200000000 ] - [ 0.0000837300000000, -0.0000025500000000, 0.0002714200000000 ] - [ -0.0001472000000000, 0.0000890400000000, 0.0001443900000000 ] - [ 0.0005092400000000, 0.0000280000000000, 0.0003940700000000 ] - [ -0.0016161700000000, 0.0033298000000000, -0.0009131300000000 ] - [ 0.0003602700000000, -0.0006028300000000, -0.0005844100000000 ] - [ -0.0001822500000000, 0.0001248400000000, 0.0009948100000000 ] - [ -0.0002916600000000, 0.0002759600000000, -0.0003650300000000 ] - [ 0.0007216400000000, -0.0008042400000000, -0.0004003500000000 ] - [ 0.0003367500000000, 0.0007636500000000, 0.0003057500000000 ] - [ 0.0001895600000000, 0.0002520000000000, -0.0001024000000000 ] - [ 0.0003930000000000, 0.0001585700000000, 0.0004928300000000 ] - [ -0.0001862300000000, 0.0003077600000000, -0.0000129600000000 ] - [ -0.0003823400000000, -0.0006926400000000, -0.0005993000000000 ] - [ 0.0005193500000000, 0.0005598400000000, -0.0004740800000000 ] - [ -0.0000436200000000, 0.0000044100000000, 0.0002706300000000 ] - [ 0.0006745600000000, -0.0005657000000000, -0.0001235300000000 ] - [ -0.0001452100000000, -0.0001041900000000, -0.0002142600000000 ] - [ 0.0000853100000000, -0.0001440700000000, 0.0000072300000000 ] - [ -0.0003011500000000, 0.0007433100000000, 0.0004612100000000 ] - [ -0.0007257000000000, 0.0006435900000000, 0.0001131200000000 ] - [ 0.0004780700000000, -0.0004901100000000, -0.0013671600000000 ] - [ -0.0020803400000000, 0.0028452400000000, 0.0006644500000000 ] - [ 0.0000104100000000, -0.0000042700000000, -0.0000759700000000 ] - [ 0.0000747200000000, 0.0001786400000000, -0.0001902600000000 ] - [ -0.0003126200000000, -0.0000207200000000, -0.0001000400000000 ] - [ 0.0000648500000000, 0.0001342100000000, -0.0000278400000000 ] - [ 0.0010234100000000, 0.0000852000000000, -0.0006309300000000 ] - [ -0.0002546900000000, -0.0003522600000000, 0.0005210000000000 ] - [ 0.0002779100000000, -0.0003052200000000, -0.0022043700000000 ] - [ 0.0005494600000000, -0.0005668900000000, -0.0002992600000000 ] - [ -0.0000293400000000, -0.0000159700000000, 0.0001775200000000 ] - [ 0.0001244300000000, -0.0003253900000000, -0.0001880800000000 ] - [ -0.0001189500000000, 0.0001285600000000, 0.0001691900000000 ] - [ -0.0007390000000000, -0.0001875200000000, 0.0003343800000000 ] - [ 0.0000552900000000, -0.0001256100000000, -0.0000756800000000 ] - [ -0.0013118700000000, 0.0023357300000000, 0.0029567400000000 ] - [ 0.0014079100000000, -0.0001949200000000, 0.0010549200000000 ] - [ -0.0002935800000000, 0.0005357200000000, 0.0004272200000000 ] - [ 0.0005160400000000, 0.0001007400000000, -0.0005407000000000 ] - [ -0.0000077900000000, 0.0000338800000000, 0.0005489100000000 ] - [ -0.0020764200000000, 0.0035371700000000, 0.0033158200000000 ] - [ 0.0000017400000000, -0.0000025600000000, 0.0001835000000000 ] - [ -0.0007767400000000, -0.0003453800000000, -0.0004837800000000 ] - [ 0.0000527200000000, -0.0001496900000000, -0.0001439500000000 ] - [ 0.0000869700000000, 0.0000130500000000, 0.0001739500000000 ] - [ -0.0000419000000000, 0.0000709500000000, 0.0000136100000000 ] - [ -0.0000214700000000, 0.0000152300000000, -0.0003913200000000 ] - [ -0.0002939800000000, -0.0004797000000000, 0.0004074400000000 ] - [ -0.0003171900000000, 0.0000707400000000, 0.0000548400000000 ] - [ 0.0002507600000000, -0.0007040600000000, 0.0003307800000000 ] - [ -0.0001542700000000, -0.0005049400000000, 0.0001165900000000 ] - [ -0.0001778400000000, -0.0001366200000000, -0.0000341900000000 ] - [ 0.0000385200000000, 0.0001238700000000, -0.0001828500000000 ] - [ -0.0002217700000000, -0.0003692300000000, 0.0002622000000000 ] - [ 0.0002936200000000, -0.0000058800000000, -0.0002035900000000 ] - [ -0.0006380500000000, -0.0011404600000000, 0.0005910800000000 ] - [ 0.0005515200000000, -0.0009622000000000, 0.0004105900000000 ] - [ -0.0002627600000000, 0.0013878000000000, -0.0003102400000000 ] - [ -0.0004498400000000, 0.0007182000000000, -0.0006842000000000 ] - [ 0.0001843100000000, -0.0002564900000000, -0.0001023500000000 ] - [ 0.0001898100000000, -0.0002330500000000, -0.0002043600000000 ] - [ 0.0003539600000000, -0.0010168600000000, -0.0003967300000000 ] - [ 0.0001459400000000, -0.0008108400000000, -0.0004904900000000 ] - [ 0.0018368000000000, -0.0032683100000000, -0.0008930400000000 ] - [ -0.0000319500000000, -0.0001116700000000, 0.0001741100000000 ] - [ 0.0001535600000000, -0.0001606000000000, 0.0001415000000000 ] - [ -0.0000652600000000, 0.0000920600000000, 0.0001719000000000 ] - [ -0.0000452800000000, -0.0000070600000000, 0.0002645700000000 ] - [ -0.0002543800000000, 0.0001600300000000, -0.0001360600000000 ] - [ -0.0003088500000000, 0.0000139400000000, -0.0001540300000000 ] - [ 0.0001125100000000, -0.0005863700000000, -0.0009848000000000 ] - [ 0.0001091000000000, -0.0000335900000000, 0.0001748200000000 ] - [ -0.0001419200000000, -0.0000837800000000, 0.0001456700000000 ] - [ 0.0003758300000000, 0.0000607600000000, 0.0002897100000000 ] - [ -0.0008198100000000, 0.0011516200000000, -0.0001705100000000 ] - [ -0.0002551200000000, -0.0005953600000000, -0.0000506700000000 ] - [ -0.0000820500000000, -0.0001395200000000, 0.0001520800000000 ] - [ 0.0000523700000000, -0.0000120200000000, 0.0000027900000000 ] - [ -0.0002469700000000, 0.0000177500000000, 0.0002146700000000 ] - [ -0.0002529400000000, -0.0005336900000000, -0.0000135100000000 ] - [ -0.0000273100000000, -0.0000459900000000, -0.0000126200000000 ] - [ 0.0005034300000000, -0.0000268900000000, -0.0000098300000000 ] - [ 0.0001092000000000, 0.0001905900000000, 0.0001785400000000 ] - [ -0.0016434900000000, 0.0030206200000000, -0.0003269100000000 ] - [ -0.0001671900000000, 0.0004563500000000, -0.0013149800000000 ] - [ 0.0006364600000000, -0.0000397500000000, -0.0000539800000000 ] - [ -0.0049924600000000, 0.0080791500000000, -0.0042965600000000 ] - [ 0.0003315500000000, -0.0000015700000000, -0.0002949000000000 ] - [ 0.0001367600000000, -0.0001985200000000, 0.0001804000000000 ] - [ -0.0002119000000000, -0.0003381600000000, -0.0002445000000000 ] - [ 0.0001004200000000, 0.0000397200000000, -0.0000871300000000 ] - [ -0.0000261800000000, 0.0000245700000000, 0.0004740000000000 ] - [ -0.0000100900000000, 0.0001001000000000, 0.0001526100000000 ]- atom: 19 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0000938000000000, 0.0002360600000000, 0.0003153000000000 ] - [ -0.0007016500000000, -0.0001507200000000, 0.0000055100000000 ] - [ 0.0000139800000000, 0.0001609000000000, 0.0002514000000000 ] - [ 0.0005064500000000, -0.0005684800000000, 0.0000567400000000 ] - [ -0.0001122000000000, 0.0002525600000000, -0.0002203100000000 ] - [ -0.0000104600000000, -0.0000974000000000, -0.0000766800000000 ] - [ 0.0000815300000000, -0.0000430600000000, -0.0000783200000000 ] - [ -0.0001452700000000, -0.0002419300000000, -0.0002093900000000 ] - [ -0.0000450900000000, 0.0000946700000000, 0.0000822500000000 ] - [ -0.0003977500000000, 0.0006470900000000, 0.0003853600000000 ] - [ 0.0005858400000000, 0.0005208200000000, -0.0000411800000000 ] - [ -0.0000628600000000, -0.0001439600000000, -0.0000388100000000 ] - [ 0.0005499400000000, -0.0007734400000000, -0.0002622700000000 ] - [ 0.0000374000000000, -0.0000510100000000, 0.0002766500000000 ] - [ 0.0002387000000000, -0.0000884000000000, -0.0001298100000000 ] - [ 0.0000888800000000, 0.0017098600000000, 0.0019877200000000 ] - [ 0.0002479300000000, 0.0000409900000000, 0.0002278200000000 ] - [ 0.0002514300000000, -0.0005841800000000, 0.0000479300000000 ] - [ -0.0167163200000000, 0.0297523200000000, -0.0060260900000000 ] - [ 0.0005828400000000, 0.0007541600000000, -0.0001936900000000 ] - [ 0.0003163600000000, 0.0000144200000000, -0.0002813000000000 ] - [ 0.0055092600000000, -0.0016986200000000, 0.0000134400000000 ] - [ 0.0000739900000000, -0.0003331800000000, 0.0003217200000000 ] - [ -0.0001797800000000, 0.0000825900000000, -0.0001048200000000 ] - [ 0.0028535100000000, -0.0007919100000000, 0.0000430800000000 ] - [ -0.0002360700000000, -0.0003181800000000, -0.0003702700000000 ] - [ -0.0008303300000000, -0.0002509700000000, -0.0000773700000000 ] - [ -0.0000893500000000, -0.0000446200000000, 0.0002408500000000 ] - [ 0.0002423400000000, 0.0000288500000000, 0.0003198500000000 ] - [ 0.0000222400000000, 0.0000470000000000, 0.0002749700000000 ] - [ 0.0006902800000000, -0.0000051200000000, 0.0005041500000000 ] - [ 0.0001885100000000, 0.0000325500000000, -0.0001353400000000 ] - [ 0.0000297100000000, 0.0000389300000000, 0.0002747200000000 ] - [ 0.0000884000000000, -0.0000487800000000, 0.0003172000000000 ] - [ 0.0002438400000000, 0.0000584400000000, -0.0001184000000000 ] - [ -0.0002203000000000, -0.0001676500000000, 0.0001918200000000 ] - [ -0.0001443500000000, 0.0001861100000000, -0.0000342000000000 ] - [ -0.0000322200000000, 0.0001544800000000, -0.0000346000000000 ] - [ -0.0002544800000000, -0.0003653500000000, -0.0002762000000000 ] - [ -0.0000802900000000, -0.0001316500000000, 0.0001287000000000 ] - [ 0.0003941300000000, -0.0008130900000000, -0.0002629200000000 ] - [ -0.0018065600000000, 0.0005782200000000, 0.0023218500000000 ] - [ 0.0001477300000000, 0.0018781900000000, -0.0021289500000000 ] - [ -0.0000386100000000, 0.0000813300000000, -0.0000832500000000 ] - [ -0.0006886600000000, -0.0030960100000000, -0.0001272900000000 ] - [ 0.0002502700000000, -0.0001219700000000, 0.0002981300000000 ] - [ 0.0004796100000000, -0.0008217300000000, -0.0013780300000000 ] - [ 0.0002622400000000, 0.0001376800000000, 0.0000158400000000 ] - [ 0.0001045000000000, -0.0002092600000000, 0.0000258000000000 ] - [ 0.0002805400000000, 0.0000404600000000, -0.0002575600000000 ] - [ -0.0001184600000000, 0.0000989900000000, 0.0002797300000000 ] - [ -0.0000593800000000, -0.0001447800000000, -0.0000098200000000 ] - [ 0.0004769000000000, -0.0010585600000000, 0.0011958500000000 ] - [ -0.0001877300000000, 0.0001693900000000, -0.0001294900000000 ] - [ -0.0000710800000000, -0.0001168000000000, 0.0002226700000000 ] - [ -0.0002546900000000, -0.0002850400000000, 0.0000235300000000 ] - [ -0.0002614300000000, -0.0004316200000000, 0.0005291700000000 ] - [ -0.0001399100000000, 0.0001764100000000, -0.0000237900000000 ] - [ -0.0012540700000000, -0.0058114400000000, 0.0005114400000000 ] - [ 0.0000705000000000, -0.0002188400000000, 0.0002557900000000 ] - [ -0.0013675800000000, 0.0008647900000000, -0.0021056700000000 ] - [ -0.0001356600000000, -0.0002056100000000, -0.0001254900000000 ] - [ 0.0001613000000000, 0.0000085900000000, 0.0000469200000000 ] - [ -0.0001426000000000, -0.0003481400000000, 0.0001476300000000 ] - [ 0.0019495200000000, 0.0000782200000000, 0.0008083800000000 ] - [ -0.0001560700000000, 0.0004344300000000, 0.0001303200000000 ] - [ 0.0020607700000000, -0.0035986900000000, -0.0011002100000000 ] - [ -0.0007274300000000, -0.0012515900000000, -0.0006370700000000 ] - [ -0.0029246400000000, 0.0026959400000000, -0.0013727700000000 ] - [ -0.0000724900000000, 0.0000496600000000, 0.0005251100000000 ] - [ -0.0005931300000000, 0.0001646100000000, -0.0004432500000000 ] - [ 0.0000206900000000, 0.0003457700000000, -0.0002117000000000 ] - [ -0.0000651300000000, -0.0000014200000000, -0.0001547200000000 ] - [ 0.0001076000000000, -0.0011676200000000, 0.0147950700000000 ] - [ 0.0004576100000000, -0.0008017500000000, 0.0001182500000000 ] - [ 0.0000328900000000, -0.0003494200000000, -0.0001461700000000 ] - [ 0.0002978100000000, -0.0000011700000000, 0.0001625800000000 ] - [ -0.0001713200000000, 0.0003763000000000, 0.0014829300000000 ] - [ 0.0017792700000000, -0.0002456800000000, -0.0005887900000000 ] - [ 0.0018142800000000, -0.0027747300000000, -0.0054689900000000 ] - [ 0.0000760500000000, -0.0001241400000000, -0.0002158000000000 ] - [ -0.0000134800000000, 0.0000817400000000, -0.0002266800000000 ] - [ -0.0009524300000000, 0.0041728100000000, 0.0011715000000000 ] - [ -0.0009854700000000, -0.0016675800000000, 0.0008172100000000 ] - [ -0.0002123000000000, 0.0003705100000000, -0.0001793800000000 ] - [ 0.0000279300000000, -0.0002672600000000, -0.0001608700000000 ] - [ 0.0001596000000000, -0.0001088600000000, 0.0001256800000000 ] - [ 0.0016508100000000, -0.0017631900000000, 0.0003435600000000 ] - [ -0.0003898700000000, -0.0002468400000000, 0.0002470000000000 ] - [ 0.0000870300000000, -0.0000027800000000, 0.0002651700000000 ] - [ -0.0000339400000000, 0.0000587200000000, 0.0004774900000000 ] - [ 0.0000946200000000, -0.0000062200000000, -0.0002431700000000 ] - [ 0.0006727400000000, 0.0011539200000000, 0.0003267900000000 ] - [ -0.0023737200000000, -0.0001383900000000, -0.0033106200000000 ] - [ 0.0014500800000000, 0.0019164100000000, -0.0033357100000000 ] - [ 0.0002180400000000, -0.0009853200000000, -0.0009195200000000 ] - [ 0.0000016900000000, -0.0000018500000000, 0.0001709500000000 ] - [ -0.0003552300000000, 0.0003048300000000, 0.0002130500000000 ] - [ 0.0005979400000000, -0.0000230600000000, 0.0003921500000000 ] - [ -0.0000320400000000, -0.0034004400000000, -0.0000295400000000 ] - [ -0.0001592500000000, 0.0003271400000000, -0.0000687600000000 ] - [ 0.0000882200000000, -0.0002857500000000, -0.0011979000000000 ] - [ -0.0000466100000000, -0.0002396300000000, -0.0002867000000000 ] - [ 0.0001462600000000, 0.0022103100000000, -0.0005486000000000 ] - [ -0.0005772100000000, -0.0007718800000000, -0.0000393600000000 ] - [ 0.0000869000000000, 0.0001961000000000, -0.0001368800000000 ] - [ 0.0001726900000000, 0.0000812200000000, -0.0001359000000000 ] - [ 0.0000655500000000, -0.0000990900000000, 0.0000186900000000 ] - [ 0.0002482500000000, 0.0004628200000000, 0.0002334200000000 ] - [ -0.0005191100000000, -0.0002525900000000, -0.0000350900000000 ] - [ -0.0000026600000000, 0.0000675400000000, 0.0001719800000000 ] - [ -0.0004450700000000, 0.0001791900000000, -0.0001914300000000 ] - [ 0.0000506300000000, 0.0002544100000000, 0.0000143000000000 ] - [ -0.0000833400000000, 0.0001472300000000, -0.0000397000000000 ] - [ 0.0002249100000000, -0.0001326900000000, -0.0001039000000000 ] - [ 0.0007317200000000, -0.0006485600000000, 0.0015238200000000 ] - [ -0.0009165500000000, 0.0004880700000000, 0.0010672300000000 ] - [ 0.0021958500000000, -0.0026662500000000, -0.0004047300000000 ] - [ -0.0002211100000000, -0.0000043600000000, -0.0002491000000000 ] - [ 0.0000593300000000, -0.0004797700000000, -0.0004582400000000 ] - [ -0.0002117600000000, 0.0000315800000000, -0.0001376000000000 ] - [ 0.0001843400000000, 0.0003279500000000, -0.0002110600000000 ] - [ -0.0012788700000000, 0.0000775300000000, 0.0001190300000000 ] - [ -0.0000635200000000, -0.0001981600000000, -0.0001112800000000 ] - [ -0.0001411400000000, 0.0002976000000000, 0.0016890500000000 ] - [ -0.0003905600000000, 0.0003097000000000, 0.0001963900000000 ] - [ -0.0000494400000000, -0.0001313100000000, 0.0001305400000000 ] - [ -0.0004518400000000, 0.0002914700000000, -0.0004611100000000 ] - [ -0.0002013900000000, 0.0004174400000000, 0.0002392600000000 ] - [ 0.0003658900000000, 0.0004690400000000, 0.0002348200000000 ] - [ 0.0002013300000000, -0.0003582700000000, -0.0001653400000000 ] - [ 0.0015957800000000, -0.0025033700000000, -0.0034756500000000 ] - [ -0.0017582400000000, -0.0000799300000000, -0.0004852400000000 ] - [ -0.0002556100000000, 0.0004252000000000, 0.0003588600000000 ] - [ -0.0006428400000000, 0.0001387200000000, 0.0001798600000000 ] - [ 0.0000075300000000, -0.0000349300000000, 0.0004874100000000 ] - [ 0.0025521900000000, -0.0038582800000000, -0.0034762800000000 ] - [ -0.0000891500000000, 0.0001588700000000, 0.0001207500000000 ] - [ 0.0005153500000000, 0.0001920600000000, -0.0000248800000000 ] - [ 0.0000462100000000, -0.0000382500000000, -0.0001818400000000 ] - [ 0.0000921200000000, -0.0000104500000000, 0.0001303600000000 ] - [ 0.0000433800000000, -0.0000676400000000, -0.0000456800000000 ] - [ 0.0000233700000000, -0.0000119000000000, -0.0004868100000000 ] - [ -0.0002568600000000, -0.0004745000000000, 0.0003784600000000 ] - [ 0.0005590700000000, -0.0000712000000000, -0.0000489300000000 ] - [ 0.0001772600000000, 0.0005225800000000, 0.0002393800000000 ] - [ 0.0000776100000000, -0.0001175500000000, 0.0002409800000000 ] - [ 0.0000593800000000, -0.0000688300000000, 0.0000394700000000 ] - [ 0.0000625900000000, 0.0000514800000000, -0.0001421500000000 ] - [ 0.0001619500000000, 0.0002664700000000, -0.0007715500000000 ] - [ -0.0001168100000000, -0.0000015000000000, 0.0000034100000000 ] - [ 0.0008611000000000, 0.0015297700000000, -0.0009051000000000 ] - [ -0.0005531100000000, 0.0009571600000000, 0.0012157400000000 ] - [ 0.0011350400000000, -0.0028156800000000, -0.0006402100000000 ] - [ 0.0012497500000000, 0.0007449700000000, -0.0002649500000000 ] - [ 0.0000883100000000, -0.0001948100000000, -0.0001362100000000 ] - [ -0.0000507300000000, 0.0005406300000000, -0.0004481400000000 ] - [ -0.0020106500000000, 0.0010603100000000, -0.0005520800000000 ] - [ -0.0001487500000000, 0.0005069800000000, -0.0000186600000000 ] - [ -0.0010482700000000, 0.0017957200000000, -0.0000558200000000 ] - [ -0.0000556000000000, -0.0000287600000000, 0.0001346700000000 ] - [ 0.0004385800000000, -0.0000773400000000, 0.0002161000000000 ] - [ -0.0000176600000000, 0.0000431900000000, 0.0001382500000000 ] - [ -0.0000004300000000, -0.0000721800000000, 0.0001786700000000 ] - [ 0.0002514700000000, -0.0001654600000000, 0.0000523200000000 ] - [ -0.0002384700000000, -0.0000335700000000, -0.0000869800000000 ] - [ -0.0001760500000000, 0.0010336000000000, 0.0015692400000000 ] - [ 0.0000486600000000, 0.0000295200000000, 0.0001356600000000 ] - [ -0.0003589700000000, -0.0002947400000000, 0.0002119800000000 ] - [ -0.0004340800000000, 0.0000544300000000, -0.0007979300000000 ] - [ 0.0007749000000000, -0.0016243400000000, 0.0006935700000000 ] - [ 0.0002994200000000, 0.0005124200000000, 0.0000061800000000 ] - [ -0.0000327000000000, -0.0000589600000000, 0.0000190800000000 ] - [ -0.0000543500000000, -0.0000071400000000, 0.0001588800000000 ] - [ -0.0002160800000000, -0.0000121500000000, 0.0001186700000000 ] - [ 0.0002800500000000, 0.0004915500000000, 0.0000773000000000 ] - [ 0.0000255400000000, 0.0000433800000000, 0.0001730300000000 ] - [ -0.0005568200000000, 0.0000254300000000, 0.0000735400000000 ] - [ 0.0001266700000000, 0.0002182700000000, 0.0001536600000000 ] - [ 0.0015500900000000, -0.0026949400000000, 0.0004782000000000 ] - [ 0.0001824500000000, -0.0004289700000000, 0.0006022100000000 ] - [ -0.0007338300000000, 0.0000326800000000, 0.0000094800000000 ] - [ 0.0047459300000000, -0.0076117400000000, 0.0039434300000000 ] - [ -0.0003432300000000, 0.0000089300000000, -0.0004212800000000 ] - [ 0.0000996100000000, -0.0001994300000000, 0.0001531000000000 ] - [ 0.0002245100000000, 0.0003330700000000, -0.0004716300000000 ] - [ 0.0001357600000000, -0.0000373000000000, 0.0002568700000000 ] - [ 0.0000103300000000, -0.0000365300000000, -0.0003125400000000 ] - [ -0.0001054900000000, 0.0001056700000000, 0.0000174600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000296500000000, 0.0000933000000000, 0.0004906700000000 ] - [ 0.0005401100000000, 0.0005706000000000, -0.0000393200000000 ] - [ 0.0000949400000000, 0.0000418900000000, 0.0004059600000000 ] - [ -0.0004517600000000, 0.0001648200000000, -0.0001904400000000 ] - [ -0.0001484800000000, 0.0002119500000000, 0.0001602900000000 ] - [ -0.0001135000000000, -0.0001707400000000, 0.0001889000000000 ] - [ 0.0002100100000000, -0.0000197300000000, 0.0001921500000000 ] - [ -0.0001335700000000, -0.0002211800000000, 0.0001469000000000 ] - [ -0.0000501200000000, 0.0000984900000000, 0.0004039300000000 ] - [ -0.0001817900000000, 0.0003380700000000, 0.0012134400000000 ] - [ -0.0006985600000000, -0.0000533300000000, -0.0001598900000000 ] - [ -0.0000387000000000, -0.0002149300000000, 0.0003435200000000 ] - [ 0.0002952100000000, -0.0005183200000000, -0.0004624200000000 ] - [ 0.0000195700000000, -0.0000523400000000, 0.0005970900000000 ] - [ 0.0002413500000000, -0.0000339200000000, 0.0002212300000000 ] - [ 0.0033841600000000, -0.0000034500000000, 0.0030026900000000 ] - [ 0.0001600000000000, 0.0000417100000000, -0.0001216300000000 ] - [ 0.0000846900000000, 0.0006286700000000, -0.0001904400000000 ] - [ -0.0012591000000000, 0.0063332200000000, -0.0292529300000000 ] - [ 0.0005153900000000, 0.0004739800000000, -0.0004396300000000 ] - [ -0.0000404800000000, 0.0000947200000000, 0.0003772900000000 ] - [ 0.0001863700000000, 0.0000288000000000, -0.0025184800000000 ] - [ 0.0001052800000000, -0.0002605100000000, 0.0004373100000000 ] - [ 0.0003695900000000, 0.0001364500000000, 0.0008583200000000 ] - [ 0.0002729400000000, 0.0001245800000000, -0.0014923900000000 ] - [ -0.0000908100000000, -0.0001985600000000, -0.0004755300000000 ] - [ -0.0005473900000000, -0.0003695200000000, -0.0003458900000000 ] - [ -0.0000376900000000, 0.0000316000000000, 0.0006694800000000 ] - [ 0.0001641800000000, 0.0000335600000000, 0.0004352600000000 ] - [ 0.0000122900000000, 0.0000522600000000, 0.0005916000000000 ] - [ 0.0007102100000000, -0.0000664700000000, 0.0005961600000000 ] - [ 0.0001959600000000, -0.0000257700000000, 0.0002569500000000 ] - [ 0.0000393700000000, 0.0000362100000000, 0.0005951300000000 ] - [ 0.0000760600000000, -0.0000503600000000, 0.0006653200000000 ] - [ 0.0002650800000000, 0.0000551100000000, 0.0002249600000000 ] - [ -0.0001732400000000, -0.0001198200000000, -0.0002236600000000 ] - [ -0.0001821200000000, 0.0002877000000000, 0.0002181100000000 ] - [ -0.0000487700000000, 0.0001783200000000, 0.0002941600000000 ] - [ -0.0001337600000000, -0.0000495300000000, 0.0004399600000000 ] - [ -0.0000626300000000, -0.0001233600000000, 0.0004814800000000 ] - [ 0.0003054400000000, -0.0004855400000000, -0.0004628800000000 ] - [ -0.0018398400000000, -0.0036932200000000, 0.0034414700000000 ] - [ -0.0038533500000000, -0.0001882300000000, 0.0029179700000000 ] - [ -0.0001188800000000, 0.0001824600000000, 0.0001860200000000 ] - [ -0.0001776300000000, -0.0002601300000000, -0.0017821000000000 ] - [ 0.0000957300000000, -0.0001301200000000, 0.0004765000000000 ] - [ -0.0006859600000000, 0.0010853800000000, 0.0000100600000000 ] - [ -0.0001788300000000, -0.0000925300000000, -0.0005622500000000 ] - [ -0.0001463600000000, 0.0001034900000000, -0.0005442500000000 ] - [ 0.0000508700000000, -0.0000223600000000, -0.0003773000000000 ] - [ -0.0000525800000000, 0.0000087500000000, 0.0007488100000000 ] - [ -0.0003954000000000, 0.0004324500000000, 0.0007865000000000 ] - [ 0.0003666900000000, -0.0008472900000000, 0.0002045900000000 ] - [ -0.0001539300000000, 0.0002142200000000, 0.0002442000000000 ] - [ 0.0000075700000000, 0.0000031500000000, 0.0003761900000000 ] - [ 0.0001690900000000, -0.0001051700000000, -0.0005583800000000 ] - [ -0.0002066300000000, -0.0005384900000000, 0.0006258200000000 ] - [ -0.0005002000000000, -0.0003163200000000, 0.0009268700000000 ] - [ -0.0000672900000000, -0.0002845300000000, -0.0023286500000000 ] - [ -0.0000901500000000, 0.0001464800000000, -0.0003009500000000 ] - [ 0.0020357000000000, 0.0027881900000000, 0.0026205900000000 ] - [ -0.0001830900000000, -0.0001844000000000, 0.0002242800000000 ] - [ 0.0000681000000000, 0.0000127200000000, 0.0004797000000000 ] - [ 0.0001944800000000, 0.0003017700000000, 0.0009299600000000 ] - [ 0.0010457500000000, 0.0000513700000000, -0.0001154100000000 ] - [ 0.0009079200000000, 0.0003665100000000, 0.0011808200000000 ] - [ -0.0000069000000000, -0.0000219900000000, -0.0023906100000000 ] - [ 0.0006786300000000, 0.0012595400000000, -0.0013415100000000 ] - [ -0.0000881800000000, 0.0004131900000000, -0.0041089900000000 ] - [ 0.0001065700000000, 0.0000362800000000, 0.0015730500000000 ] - [ -0.0007500700000000, -0.0001855700000000, 0.0007267600000000 ] - [ 0.0000334300000000, 0.0003588600000000, 0.0010706100000000 ] - [ -0.0001216000000000, -0.0000173200000000, 0.0008045100000000 ] - [ 0.0057728300000000, -0.0100996300000000, 0.0028156300000000 ] - [ 0.0000032900000000, 0.0000167900000000, 0.0009859200000000 ] - [ 0.0000718200000000, -0.0003028700000000, 0.0008136600000000 ] - [ -0.0004481400000000, 0.0000377500000000, 0.0009124000000000 ] - [ 0.0002761600000000, -0.0003890700000000, 0.0025381700000000 ] - [ -0.0010398900000000, -0.0001391000000000, -0.0013003200000000 ] - [ -0.0062841700000000, 0.0107918500000000, 0.0050601100000000 ] - [ -0.0000027300000000, 0.0000137200000000, 0.0007702600000000 ] - [ -0.0000588500000000, -0.0000372900000000, 0.0008843900000000 ] - [ -0.0006259000000000, -0.0015313100000000, -0.0045193100000000 ] - [ -0.0005352900000000, -0.0010324900000000, -0.0001141100000000 ] - [ 0.0000733900000000, -0.0001245800000000, -0.0001577700000000 ] - [ 0.0004581800000000, 0.0003285100000000, -0.0003321000000000 ] - [ -0.0003724000000000, -0.0001719400000000, -0.0000286300000000 ] - [ 0.0005544300000000, 0.0001900800000000, 0.0013494100000000 ] - [ -0.0000768300000000, -0.0001305300000000, 0.0005726600000000 ] - [ 0.0005638200000000, -0.0000203500000000, -0.0000871200000000 ] - [ 0.0000049400000000, -0.0000094300000000, -0.0001465600000000 ] - [ -0.0001214500000000, -0.0000392100000000, -0.0004913800000000 ] - [ -0.0003754000000000, -0.0008827600000000, 0.0001411000000000 ] - [ -0.0027259900000000, 0.0011018200000000, -0.0006419700000000 ] - [ 0.0004302300000000, 0.0028010400000000, -0.0007247500000000 ] - [ -0.0006829500000000, 0.0000012200000000, 0.0025569000000000 ] - [ 0.0000133800000000, -0.0000011800000000, -0.0004751700000000 ] - [ -0.0001251000000000, 0.0000371100000000, -0.0000774400000000 ] - [ 0.0003510000000000, -0.0000188700000000, -0.0000306000000000 ] - [ -0.0010703500000000, -0.0006077900000000, 0.0025137300000000 ] - [ 0.0002012000000000, -0.0003207200000000, -0.0006163000000000 ] - [ -0.0002805100000000, 0.0003374000000000, -0.0017405300000000 ] - [ -0.0008610000000000, -0.0002598500000000, -0.0009806800000000 ] - [ 0.0003029400000000, 0.0005442300000000, 0.0002646500000000 ] - [ 0.0002483100000000, 0.0004795400000000, 0.0009486700000000 ] - [ 0.0001667400000000, 0.0003262700000000, -0.0004768400000000 ] - [ -0.0002202200000000, 0.0001923800000000, -0.0004803800000000 ] - [ 0.0002023100000000, -0.0000360200000000, -0.0003561700000000 ] - [ -0.0001642500000000, -0.0002933500000000, 0.0006866100000000 ] - [ 0.0002105600000000, 0.0001805200000000, -0.0000026400000000 ] - [ -0.0000094500000000, 0.0000394600000000, -0.0004759700000000 ] - [ -0.0002367000000000, 0.0000474000000000, 0.0001422700000000 ] - [ -0.0001358100000000, -0.0001039200000000, -0.0004640000000000 ] - [ 0.0000052200000000, -0.0000128100000000, -0.0006613400000000 ] - [ -0.0000556200000000, 0.0003403800000000, -0.0004983000000000 ] - [ -0.0004098200000000, -0.0005469000000000, 0.0032459900000000 ] - [ 0.0030651800000000, -0.0019329200000000, 0.0001510300000000 ] - [ -0.0005583100000000, 0.0005329600000000, 0.0036794900000000 ] - [ -0.0002886100000000, 0.0000049300000000, -0.0005555700000000 ] - [ -0.0001546700000000, -0.0003409800000000, -0.0006536000000000 ] - [ -0.0003651900000000, 0.0000159700000000, -0.0004770900000000 ] - [ 0.0002242900000000, 0.0004101200000000, -0.0005294900000000 ] - [ 0.0009625200000000, -0.0000594600000000, -0.0000505400000000 ] - [ 0.0000301700000000, 0.0001838300000000, -0.0004448300000000 ] - [ 0.0012326100000000, -0.0019647200000000, -0.0034940100000000 ] - [ 0.0003349500000000, -0.0002231000000000, 0.0001626800000000 ] - [ -0.0000780800000000, -0.0001606500000000, -0.0002683300000000 ] - [ -0.0002850500000000, 0.0000963200000000, -0.0006201800000000 ] - [ -0.0000941800000000, 0.0000927400000000, -0.0000508200000000 ] - [ 0.0001196900000000, 0.0003144200000000, 0.0005689800000000 ] - [ 0.0002577800000000, -0.0004489900000000, -0.0006559100000000 ] - [ -0.0024584800000000, 0.0042640100000000, -0.0033468500000000 ] - [ -0.0011317400000000, 0.0000042500000000, 0.0003097400000000 ] - [ -0.0002435100000000, 0.0003591100000000, 0.0000127700000000 ] - [ 0.0001684300000000, 0.0000730900000000, 0.0006903800000000 ] - [ 0.0000452700000000, 0.0000314100000000, -0.0002403100000000 ] - [ -0.0000381100000000, 0.0003028100000000, 0.0026587300000000 ] - [ -0.0000896200000000, 0.0001595700000000, -0.0002312000000000 ] - [ -0.0002769500000000, -0.0002082700000000, 0.0000020100000000 ] - [ 0.0000939100000000, -0.0001470500000000, -0.0005009200000000 ] - [ 0.0002511500000000, 0.0000083400000000, -0.0002468400000000 ] - [ -0.0001664300000000, -0.0000542500000000, -0.0007862400000000 ] - [ -0.0000067100000000, 0.0000022000000000, -0.0012061000000000 ] - [ -0.0002445700000000, -0.0003961100000000, 0.0000332100000000 ] - [ 0.0005026400000000, 0.0001205200000000, -0.0004295300000000 ] - [ 0.0001879900000000, 0.0003383000000000, 0.0005777100000000 ] - [ -0.0001443800000000, -0.0005260600000000, -0.0001158100000000 ] - [ 0.0002188000000000, 0.0002196100000000, -0.0003847000000000 ] - [ 0.0001123600000000, 0.0001265900000000, -0.0005846000000000 ] - [ 0.0000618200000000, 0.0001501400000000, -0.0002052800000000 ] - [ 0.0002987400000000, -0.0000250200000000, -0.0004531000000000 ] - [ 0.0004634400000000, 0.0010920500000000, -0.0001164600000000 ] - [ -0.0000431000000000, 0.0000838000000000, 0.0020944100000000 ] - [ 0.0005344100000000, -0.0003874000000000, 0.0006621700000000 ] - [ 0.0005254900000000, 0.0005317200000000, 0.0002454100000000 ] - [ 0.0001643500000000, -0.0003134100000000, -0.0004675800000000 ] - [ 0.0000358200000000, 0.0003022000000000, -0.0006163100000000 ] - [ -0.0006031100000000, 0.0000563700000000, 0.0002727900000000 ] - [ -0.0000387300000000, -0.0004005000000000, -0.0000038400000000 ] - [ 0.0003047000000000, -0.0005470600000000, 0.0005475300000000 ] - [ -0.0001106200000000, -0.0001769500000000, -0.0002160600000000 ] - [ 0.0001226600000000, -0.0001672700000000, -0.0000798000000000 ] - [ -0.0001028200000000, 0.0001982900000000, -0.0002489300000000 ] - [ -0.0000041300000000, -0.0000496900000000, -0.0006266000000000 ] - [ 0.0004500000000000, 0.0002115300000000, -0.0006553400000000 ] - [ -0.0003616400000000, -0.0000362000000000, -0.0005655400000000 ] - [ 0.0000400300000000, -0.0035661600000000, 0.0005351900000000 ] - [ 0.0002046800000000, -0.0000002500000000, -0.0002156200000000 ] - [ -0.0001272700000000, -0.0000634300000000, -0.0000764800000000 ] - [ -0.0002445900000000, 0.0000658300000000, -0.0002289400000000 ] - [ 0.0015239400000000, -0.0028153700000000, 0.0032952700000000 ] - [ 0.0001375200000000, 0.0002142900000000, 0.0004724000000000 ] - [ -0.0000352200000000, -0.0000460400000000, -0.0001912700000000 ] - [ 0.0000403300000000, -0.0000314700000000, -0.0001871200000000 ] - [ -0.0002356500000000, 0.0000076000000000, -0.0002770000000000 ] - [ -0.0001434100000000, -0.0003037400000000, 0.0006436000000000 ] - [ -0.0000062400000000, -0.0000414600000000, -0.0002008600000000 ] - [ 0.0002614800000000, -0.0000242800000000, 0.0006215700000000 ] - [ 0.0001177600000000, 0.0002037000000000, -0.0001633600000000 ] - [ 0.0003394400000000, -0.0003128800000000, 0.0040864200000000 ] - [ 0.0003639500000000, -0.0004878000000000, -0.0014447500000000 ] - [ -0.0003475600000000, -0.0000008200000000, 0.0004859700000000 ] - [ 0.0022603200000000, -0.0033394200000000, 0.0071683300000000 ] - [ -0.0001996700000000, 0.0000192900000000, -0.0004751600000000 ] - [ 0.0001242300000000, -0.0002018000000000, -0.0001626000000000 ] - [ 0.0001219200000000, 0.0002469200000000, -0.0005075200000000 ] - [ 0.0001466700000000, -0.0000442200000000, -0.0005129000000000 ] - [ -0.0000878800000000, 0.0001055600000000, -0.0006132500000000 ] - [ -0.0000969300000000, 0.0001035000000000, -0.0001924400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000818600000000, 0.0003258900000000, -0.0000624400000000 ] - [ -0.0006563400000000, -0.0003448200000000, 0.0003801000000000 ] - [ -0.0001463200000000, 0.0000612500000000, -0.0001286400000000 ] - [ 0.0004718500000000, -0.0004409400000000, 0.0004404500000000 ] - [ -0.0000999800000000, 0.0002322800000000, -0.0006019700000000 ] - [ -0.0001070300000000, -0.0002140100000000, -0.0001981900000000 ] - [ 0.0002428200000000, 0.0000252700000000, -0.0002053700000000 ] - [ -0.0001253900000000, -0.0002273600000000, -0.0005858700000000 ] - [ -0.0000768800000000, 0.0001451100000000, -0.0002881600000000 ] - [ -0.0000538700000000, 0.0000523500000000, -0.0012198100000000 ] - [ 0.0007160600000000, 0.0003441300000000, 0.0004056800000000 ] - [ -0.0000998800000000, -0.0002220900000000, -0.0005923600000000 ] - [ -0.0004924700000000, 0.0001119100000000, -0.0001293200000000 ] - [ 0.0000113000000000, -0.0001052400000000, -0.0000960400000000 ] - [ 0.0001897000000000, -0.0000732800000000, -0.0004786200000000 ] - [ -0.0035393300000000, -0.0001998700000000, -0.0026836400000000 ] - [ 0.0000941500000000, -0.0000264000000000, 0.0004627200000000 ] - [ 0.0001586400000000, -0.0004737100000000, 0.0004349100000000 ] - [ 0.0013585200000000, -0.0062301100000000, 0.0299228300000000 ] - [ -0.0007076100000000, -0.0000442400000000, -0.0001533200000000 ] - [ 0.0004938800000000, -0.0001028900000000, -0.0003902300000000 ] - [ 0.0001048900000000, 0.0000813800000000, 0.0026339000000000 ] - [ -0.0000516800000000, -0.0001720300000000, -0.0000111100000000 ] - [ -0.0002562500000000, -0.0001300200000000, -0.0005827700000000 ] - [ 0.0000008100000000, -0.0001116100000000, 0.0020827000000000 ] - [ -0.0001613800000000, -0.0001766300000000, -0.0001166000000000 ] - [ 0.0004363500000000, 0.0005743300000000, 0.0000064300000000 ] - [ -0.0001141100000000, -0.0000840100000000, -0.0001685200000000 ] - [ 0.0001723900000000, 0.0002212100000000, -0.0000064800000000 ] - [ 0.0000047000000000, 0.0001067300000000, -0.0000942700000000 ] - [ 0.0000400400000000, 0.0000541000000000, -0.0005553700000000 ] - [ 0.0003124400000000, 0.0000325800000000, -0.0006980100000000 ] - [ 0.0000899900000000, 0.0000579500000000, -0.0000978500000000 ] - [ 0.0000550000000000, -0.0000578300000000, -0.0001692600000000 ] - [ 0.0001721300000000, 0.0000490600000000, -0.0004832800000000 ] - [ -0.0000740400000000, -0.0000023000000000, 0.0004755400000000 ] - [ -0.0002021800000000, 0.0003545800000000, -0.0001784900000000 ] - [ -0.0000793300000000, 0.0002515500000000, -0.0005514800000000 ] - [ -0.0002436800000000, -0.0006026500000000, -0.0004035400000000 ] - [ -0.0000677800000000, -0.0001025900000000, -0.0003607500000000 ] - [ 0.0001631400000000, 0.0005301200000000, -0.0001286600000000 ] - [ 0.0020915700000000, 0.0035529200000000, -0.0032272800000000 ] - [ 0.0036996500000000, -0.0000001800000000, -0.0032373500000000 ] - [ -0.0001028000000000, 0.0002123600000000, -0.0001990500000000 ] - [ 0.0001429300000000, -0.0000357400000000, 0.0018895900000000 ] - [ 0.0002445100000000, -0.0001194700000000, -0.0000502300000000 ] - [ 0.0003986900000000, -0.0007199200000000, -0.0006015200000000 ] - [ -0.0000679100000000, -0.0000877200000000, 0.0006680100000000 ] - [ -0.0000870900000000, 0.0000737600000000, 0.0006579800000000 ] - [ 0.0001832900000000, 0.0000310400000000, 0.0000380500000000 ] - [ -0.0001065200000000, 0.0000505600000000, -0.0002529700000000 ] - [ 0.0000101400000000, -0.0002642800000000, -0.0003616500000000 ] - [ -0.0006421300000000, 0.0009574900000000, 0.0000433600000000 ] - [ -0.0001543200000000, 0.0001056600000000, -0.0005012500000000 ] - [ -0.0000715300000000, -0.0001141600000000, -0.0001061200000000 ] - [ 0.0001011900000000, -0.0000102800000000, 0.0006722000000000 ] - [ -0.0000166800000000, 0.0001529700000000, -0.0006333500000000 ] - [ 0.0001000100000000, 0.0001473300000000, -0.0005032600000000 ] - [ -0.0000725900000000, 0.0000189100000000, 0.0029157500000000 ] - [ -0.0000439600000000, 0.0000980700000000, 0.0008889500000000 ] - [ -0.0015613200000000, -0.0028216800000000, -0.0031867300000000 ] - [ -0.0001262500000000, -0.0001543200000000, -0.0004744400000000 ] - [ 0.0002070100000000, -0.0000010400000000, -0.0003649700000000 ] - [ -0.0001436000000000, -0.0003928700000000, -0.0003390700000000 ] - [ -0.0011137500000000, 0.0000605300000000, 0.0003567600000000 ] - [ -0.0008948700000000, -0.0003696700000000, -0.0010179400000000 ] - [ 0.0000104400000000, 0.0000161700000000, 0.0013963700000000 ] - [ -0.0003967300000000, -0.0007714400000000, 0.0012334700000000 ] - [ 0.0000388600000000, -0.0004194500000000, 0.0030841400000000 ] - [ -0.0001065500000000, -0.0000354400000000, -0.0006723200000000 ] - [ 0.0007453000000000, 0.0001843900000000, -0.0014031000000000 ] - [ 0.0002026600000000, 0.0000522000000000, -0.0015385400000000 ] - [ -0.0003434800000000, 0.0000165900000000, -0.0012795900000000 ] - [ -0.0062658400000000, 0.0099816600000000, -0.0029822200000000 ] - [ -0.0000109700000000, -0.0000134200000000, -0.0008244200000000 ] - [ 0.0001595500000000, -0.0001002200000000, -0.0012893000000000 ] - [ 0.0003453800000000, -0.0000386700000000, -0.0003225500000000 ] - [ -0.0002207200000000, 0.0004872500000000, -0.0019490500000000 ] - [ 0.0013220800000000, -0.0003520200000000, 0.0011923700000000 ] - [ 0.0064325000000000, -0.0108212900000000, -0.0048702600000000 ] - [ 0.0000184000000000, -0.0000230500000000, -0.0013639500000000 ] - [ 0.0000440600000000, 0.0000465300000000, -0.0014784200000000 ] - [ 0.0006582500000000, 0.0015731100000000, 0.0052517000000000 ] - [ 0.0004682700000000, 0.0009146100000000, 0.0003568100000000 ] - [ -0.0000754200000000, 0.0001216200000000, -0.0000822700000000 ] - [ -0.0004631900000000, -0.0003334200000000, 0.0000924500000000 ] - [ 0.0003760300000000, 0.0001770200000000, 0.0003552700000000 ] - [ -0.0004413200000000, -0.0003984100000000, -0.0010980400000000 ] - [ 0.0005013200000000, 0.0003068400000000, -0.0000263100000000 ] - [ 0.0000594200000000, 0.0000159700000000, 0.0005108700000000 ] - [ -0.0000057600000000, 0.0000084300000000, 0.0012105500000000 ] - [ 0.0003173800000000, 0.0003130100000000, -0.0001573800000000 ] - [ 0.0005332800000000, 0.0011544300000000, -0.0002333600000000 ] - [ 0.0024076900000000, -0.0010805800000000, 0.0005635600000000 ] - [ -0.0001678100000000, -0.0026319600000000, 0.0002406700000000 ] - [ 0.0006829500000000, -0.0000053400000000, -0.0033869900000000 ] - [ 0.0000693400000000, -0.0000032400000000, 0.0009225200000000 ] - [ -0.0003760500000000, 0.0003513600000000, 0.0004513900000000 ] - [ 0.0007543600000000, 0.0000239500000000, 0.0008321500000000 ] - [ -0.0006061800000000, 0.0005314300000000, -0.0034688600000000 ] - [ 0.0000011700000000, 0.0000435400000000, -0.0000335600000000 ] - [ 0.0001898800000000, -0.0005001400000000, 0.0015496600000000 ] - [ 0.0005164400000000, 0.0002946900000000, 0.0003280900000000 ] - [ 0.0005654200000000, 0.0008651200000000, -0.0012339300000000 ] - [ -0.0004909200000000, -0.0004868000000000, -0.0006990700000000 ] - [ 0.0001031700000000, 0.0001177300000000, 0.0002304000000000 ] - [ 0.0007838100000000, 0.0000485900000000, 0.0008563900000000 ] - [ -0.0003242400000000, 0.0002485500000000, 0.0003608900000000 ] - [ 0.0000310100000000, 0.0000639700000000, -0.0010528000000000 ] - [ -0.0002126400000000, 0.0001286700000000, -0.0004951500000000 ] - [ -0.0000354700000000, 0.0000300900000000, 0.0009233000000000 ] - [ 0.0004644600000000, -0.0004331400000000, -0.0004798700000000 ] - [ 0.0000424000000000, 0.0002523500000000, 0.0002687200000000 ] - [ -0.0000031500000000, 0.0000156300000000, 0.0006300100000000 ] - [ -0.0000160200000000, 0.0002660100000000, 0.0008740100000000 ] - [ 0.0004079000000000, 0.0005404500000000, -0.0016037500000000 ] - [ -0.0035315700000000, 0.0019479900000000, -0.0004880800000000 ] - [ 0.0006711900000000, -0.0003463400000000, -0.0034452700000000 ] - [ 0.0000767200000000, -0.0000134200000000, 0.0002203600000000 ] - [ 0.0002880300000000, 0.0000372500000000, 0.0000066600000000 ] - [ -0.0001551500000000, -0.0000089000000000, 0.0002312600000000 ] - [ 0.0000251700000000, 0.0000453900000000, 0.0002830700000000 ] - [ -0.0012225200000000, 0.0002233800000000, -0.0004486100000000 ] - [ -0.0003443900000000, -0.0007286200000000, 0.0008719200000000 ] - [ -0.0011000800000000, 0.0019678900000000, 0.0029809600000000 ] - [ -0.0001745400000000, -0.0000380500000000, -0.0002550700000000 ] - [ 0.0000003800000000, 0.0000152000000000, 0.0005862600000000 ] - [ -0.0000455000000000, -0.0001308400000000, -0.0000267300000000 ] - [ -0.0002218700000000, 0.0004458100000000, 0.0004746300000000 ] - [ -0.0004894300000000, -0.0000373800000000, -0.0000215400000000 ] - [ -0.0000008900000000, -0.0000282200000000, 0.0004070500000000 ] - [ 0.0027014300000000, -0.0043584700000000, 0.0028370700000000 ] - [ 0.0007800600000000, -0.0002758700000000, 0.0002338900000000 ] - [ -0.0003044500000000, 0.0006003100000000, 0.0007886700000000 ] - [ -0.0002991900000000, 0.0001677100000000, -0.0010527800000000 ] - [ -0.0000458400000000, -0.0000327900000000, 0.0013049900000000 ] - [ 0.0003405600000000, -0.0003445100000000, -0.0029622900000000 ] - [ 0.0000035100000000, -0.0000054500000000, 0.0005451400000000 ] - [ 0.0000145300000000, 0.0000517100000000, -0.0004992200000000 ] - [ 0.0000046700000000, -0.0000404900000000, 0.0001656700000000 ] - [ -0.0000746300000000, -0.0000058600000000, 0.0005608200000000 ] - [ 0.0001667400000000, 0.0000572300000000, 0.0007536400000000 ] - [ 0.0000087600000000, 0.0000010700000000, 0.0003348400000000 ] - [ -0.0003054300000000, -0.0005568700000000, 0.0007682300000000 ] - [ -0.0002536000000000, -0.0001199700000000, 0.0004338200000000 ] - [ 0.0002359900000000, -0.0005202100000000, -0.0000295300000000 ] - [ 0.0000718100000000, -0.0000924200000000, 0.0004900300000000 ] - [ -0.0003388200000000, -0.0004287700000000, 0.0003889800000000 ] - [ -0.0000110300000000, 0.0000483700000000, 0.0002496500000000 ] - [ -0.0001218400000000, -0.0002541100000000, -0.0003121100000000 ] - [ -0.0001245900000000, 0.0000176800000000, 0.0002574700000000 ] - [ -0.0002382300000000, -0.0007025800000000, -0.0002238000000000 ] - [ 0.0000404100000000, -0.0000869500000000, -0.0004679800000000 ] - [ 0.0003435500000000, -0.0010320200000000, -0.0016293900000000 ] - [ 0.0002754700000000, 0.0009334700000000, -0.0012119200000000 ] - [ 0.0001023800000000, -0.0001346400000000, 0.0002215700000000 ] - [ 0.0001035300000000, 0.0000067200000000, -0.0000332500000000 ] - [ -0.0010560300000000, -0.0000135600000000, -0.0012416700000000 ] - [ 0.0000342800000000, 0.0000943900000000, -0.0004935900000000 ] - [ 0.0004776600000000, -0.0009130300000000, -0.0015145400000000 ] - [ 0.0000237500000000, 0.0000374100000000, 0.0005339700000000 ] - [ 0.0004643000000000, -0.0000724100000000, 0.0004539500000000 ] - [ 0.0000204000000000, -0.0000648900000000, 0.0005685000000000 ] - [ -0.0000401000000000, -0.0000275400000000, 0.0010748500000000 ] - [ -0.0004500200000000, -0.0002152200000000, 0.0005777600000000 ] - [ -0.0001789000000000, 0.0000197800000000, 0.0003171400000000 ] - [ -0.0001008700000000, 0.0040433800000000, 0.0000124000000000 ] - [ -0.0000481600000000, -0.0000043100000000, 0.0005352100000000 ] - [ -0.0003725100000000, -0.0003097200000000, 0.0004507100000000 ] - [ 0.0001843800000000, 0.0000506000000000, -0.0002882300000000 ] - [ -0.0014947300000000, 0.0022264300000000, -0.0031565600000000 ] - [ -0.0000936200000000, -0.0002997200000000, -0.0005192000000000 ] - [ -0.0000807100000000, -0.0001549000000000, 0.0003883200000000 ] - [ -0.0000437400000000, 0.0000147200000000, 0.0003441500000000 ] - [ -0.0002216100000000, -0.0000017300000000, 0.0006135200000000 ] - [ 0.0001715100000000, 0.0002576000000000, -0.0006115700000000 ] - [ 0.0000031900000000, 0.0000357200000000, 0.0003565500000000 ] - [ -0.0003170900000000, 0.0000227700000000, -0.0005892000000000 ] - [ 0.0001152600000000, 0.0001997800000000, 0.0004986000000000 ] - [ -0.0003755200000000, 0.0005335300000000, -0.0040125400000000 ] - [ -0.0003436400000000, 0.0005126300000000, 0.0007389500000000 ] - [ 0.0002510300000000, -0.0000061400000000, -0.0005326500000000 ] - [ -0.0023918000000000, 0.0036329000000000, -0.0073165000000000 ] - [ 0.0001841600000000, -0.0000118300000000, -0.0002315100000000 ] - [ 0.0001095000000000, -0.0001912700000000, 0.0004994000000000 ] - [ -0.0001076300000000, -0.0002554100000000, -0.0001992100000000 ] - [ 0.0000918400000000, 0.0000471000000000, 0.0007087600000000 ] - [ 0.0000743500000000, -0.0001163000000000, 0.0007681400000000 ] - [ -0.0000198100000000, 0.0001044700000000, 0.0003879600000000 ]- atom: 25 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0000766300000000, 0.0003870700000000, 0.0001835000000000 ] - [ -0.0003080400000000, 0.0000279500000000, 0.0001668800000000 ] - [ -0.0000616600000000, 0.0000430000000000, 0.0001714100000000 ] - [ -0.0004008500000000, 0.0005108800000000, 0.0044712400000000 ] - [ -0.0001357000000000, 0.0002218100000000, -0.0002191600000000 ] - [ -0.0000454800000000, -0.0002938400000000, -0.0000581700000000 ] - [ 0.0001345700000000, 0.0000775600000000, -0.0000358800000000 ] - [ -0.0001573700000000, -0.0002247100000000, -0.0002259500000000 ] - [ -0.0000287300000000, 0.0001293000000000, 0.0000698000000000 ] - [ -0.0002467700000000, 0.0002626000000000, 0.0002931300000000 ] - [ 0.0020768500000000, -0.0006289800000000, -0.0019441400000000 ] - [ -0.0000660200000000, -0.0002451200000000, -0.0000579000000000 ] - [ -0.0002560100000000, -0.0000640900000000, -0.0034611100000000 ] - [ 0.0000261000000000, -0.0001008100000000, 0.0002803600000000 ] - [ 0.0001798000000000, -0.0000362800000000, -0.0001604500000000 ] - [ -0.0004631900000000, -0.0000124700000000, 0.0001112200000000 ] - [ -0.0004935700000000, -0.0002370600000000, 0.0007087700000000 ] - [ 0.0007268800000000, -0.0000272800000000, 0.0006209000000000 ] - [ -0.0026918100000000, 0.0009657300000000, 0.0000891300000000 ] - [ 0.0015536200000000, -0.0005401800000000, 0.0012015500000000 ] - [ 0.0001828600000000, 0.0000804800000000, -0.0000454300000000 ] - [ -0.0000022100000000, 0.0007361900000000, 0.0000301800000000 ] - [ 0.0000908400000000, -0.0001157500000000, 0.0003296200000000 ] - [ -0.0000693000000000, -0.0000248400000000, 0.0000170200000000 ] - [ 0.0188967000000000, -0.0297734800000000, -0.0005863600000000 ] - [ 0.0001600000000000, 0.0003682100000000, 0.0001032100000000 ] - [ -0.0003940000000000, -0.0000339600000000, -0.0001947700000000 ] - [ -0.0000658600000000, -0.0000491000000000, 0.0002496400000000 ] - [ 0.0001035200000000, 0.0001899900000000, 0.0003900800000000 ] - [ -0.0000109400000000, 0.0000779300000000, 0.0002886800000000 ] - [ 0.0006428400000000, -0.0001907700000000, 0.0001633200000000 ] - [ 0.0002231900000000, -0.0000058300000000, -0.0001785900000000 ] - [ 0.0000436400000000, 0.0000671400000000, 0.0002636700000000 ] - [ 0.0000507200000000, -0.0000362700000000, 0.0002588300000000 ] - [ 0.0002794400000000, 0.0000457400000000, -0.0000995700000000 ] - [ 0.0000702600000000, 0.0003905800000000, -0.0002685900000000 ] - [ -0.0000566800000000, 0.0003488500000000, 0.0000116600000000 ] - [ -0.0000139300000000, 0.0001455700000000, -0.0001150500000000 ] - [ -0.0002959100000000, -0.0001561500000000, -0.0000252200000000 ] - [ -0.0000892800000000, -0.0000735700000000, 0.0000739500000000 ] - [ 0.0010017000000000, -0.0002353500000000, -0.0007947800000000 ] - [ -0.0004697000000000, 0.0005240900000000, -0.0005640900000000 ] - [ -0.0004942100000000, 0.0000473300000000, -0.0001507100000000 ] - [ -0.0001935200000000, 0.0001931500000000, -0.0002246800000000 ] - [ 0.0005388900000000, -0.0012360200000000, -0.0001219900000000 ] - [ 0.0003263000000000, -0.0001549600000000, 0.0001433500000000 ] - [ -0.0004833200000000, 0.0008824400000000, -0.0007545200000000 ] - [ 0.0009303500000000, -0.0020900800000000, 0.0000521200000000 ] - [ -0.0054379900000000, 0.0020257500000000, -0.0000793900000000 ] - [ -0.0005051200000000, -0.0002144600000000, -0.0006834500000000 ] - [ -0.0000986600000000, 0.0000275900000000, 0.0002378000000000 ] - [ -0.0000362400000000, -0.0001298100000000, 0.0001926300000000 ] - [ -0.0003685800000000, 0.0006354400000000, 0.0005750200000000 ] - [ -0.0001903100000000, 0.0002206700000000, -0.0001032400000000 ] - [ -0.0001126000000000, -0.0000732100000000, 0.0002211100000000 ] - [ -0.0000891000000000, 0.0005909300000000, 0.0000429200000000 ] - [ -0.0001182100000000, -0.0003574800000000, 0.0002148600000000 ] - [ -0.0001557000000000, -0.0001122400000000, -0.0000150400000000 ] - [ -0.0012430600000000, 0.0010022600000000, 0.0002705400000000 ] - [ 0.0010995000000000, 0.0008024900000000, 0.0002753400000000 ] - [ -0.0004347200000000, 0.0005395900000000, 0.0003229600000000 ] - [ -0.0001279100000000, -0.0001341500000000, -0.0001428100000000 ] - [ 0.0001771500000000, -0.0000320000000000, 0.0000731200000000 ] - [ 0.0000336000000000, -0.0000937700000000, 0.0002778900000000 ] - [ 0.0004811700000000, 0.0001412800000000, 0.0002010500000000 ] - [ 0.0001849600000000, 0.0001441600000000, 0.0005717600000000 ] - [ 0.0060305700000000, 0.0125490000000000, -0.0040789900000000 ] - [ -0.0011498400000000, 0.0016636200000000, -0.0006747800000000 ] - [ -0.0020184200000000, 0.0116203600000000, 0.0022628300000000 ] - [ -0.0000799200000000, -0.0000145200000000, 0.0004885700000000 ] - [ -0.0004158800000000, -0.0000668500000000, -0.0004012800000000 ] - [ 0.0000069000000000, 0.0003299900000000, -0.0001917100000000 ] - [ -0.0001385600000000, -0.0001133900000000, -0.0002320400000000 ] - [ -0.0009524600000000, -0.0017985900000000, 0.0071879100000000 ] - [ 0.0002924800000000, 0.0000729800000000, -0.0003597700000000 ] - [ 0.0001405600000000, -0.0002196700000000, -0.0001951900000000 ] - [ 0.0001540200000000, -0.0001940100000000, 0.0009083600000000 ] - [ -0.0001650800000000, 0.0003040200000000, 0.0001659400000000 ] - [ 0.0006370300000000, -0.0002305200000000, 0.0000224800000000 ] - [ -0.0018059700000000, -0.0022940600000000, -0.0027626900000000 ] - [ 0.0000477100000000, -0.0000148800000000, -0.0001031400000000 ] - [ 0.0000209400000000, 0.0000285800000000, -0.0004280600000000 ] - [ -0.0020650300000000, -0.0002582400000000, 0.0004560000000000 ] - [ -0.0015185500000000, 0.0018083100000000, 0.0007398100000000 ] - [ -0.0001800400000000, -0.0001022900000000, -0.0006095500000000 ] - [ -0.0000782500000000, -0.0002216300000000, 0.0003401100000000 ] - [ 0.0001678600000000, 0.0000389600000000, 0.0001342000000000 ] - [ 0.0007040500000000, -0.0002621100000000, 0.0002303100000000 ] - [ -0.0001189500000000, 0.0003636300000000, 0.0003468900000000 ] - [ 0.0000509700000000, 0.0000758900000000, 0.0000652300000000 ] - [ -0.0000197000000000, 0.0000028800000000, 0.0003508000000000 ] - [ 0.0000348300000000, 0.0000385100000000, -0.0004757400000000 ] - [ 0.0003221500000000, -0.0005311600000000, 0.0001601200000000 ] - [ -0.0016129400000000, 0.0012203400000000, -0.0016501800000000 ] - [ 0.0008099200000000, 0.0018099700000000, -0.0020946300000000 ] - [ 0.0005177400000000, 0.0000767700000000, -0.0004964500000000 ] - [ 0.0000202700000000, 0.0000229600000000, 0.0002019200000000 ] - [ -0.0002612300000000, 0.0002422400000000, 0.0000376900000000 ] - [ 0.0005997100000000, 0.0000087000000000, 0.0004070500000000 ] - [ 0.0006007700000000, -0.0025699900000000, -0.0006065500000000 ] - [ 0.0000494900000000, -0.0001626600000000, -0.0000991100000000 ] - [ 0.0000902200000000, -0.0002450100000000, 0.0000024000000000 ] - [ -0.0002618400000000, -0.0000993100000000, -0.0005916400000000 ] - [ -0.0037129000000000, 0.0052860400000000, 0.0010146900000000 ] - [ 0.0013222200000000, 0.0002295800000000, -0.0000230300000000 ] - [ 0.0001156700000000, 0.0002724400000000, -0.0001302500000000 ] - [ 0.0004098400000000, 0.0000622000000000, 0.0002262100000000 ] - [ 0.0000391400000000, 0.0000792700000000, 0.0000120900000000 ] - [ 0.0006557800000000, -0.0007670300000000, 0.0002091300000000 ] - [ -0.0002023000000000, 0.0003644000000000, -0.0001617700000000 ] - [ -0.0000273800000000, 0.0000383200000000, 0.0001989900000000 ] - [ -0.0002937500000000, -0.0002532100000000, -0.0001560300000000 ] - [ -0.0000745900000000, 0.0000872500000000, -0.0000846400000000 ] - [ -0.0000539300000000, -0.0000210700000000, 0.0001918100000000 ] - [ 0.0000796800000000, 0.0001682800000000, 0.0002239400000000 ] - [ 0.0003386900000000, -0.0019486400000000, -0.0014060400000000 ] - [ -0.0011273800000000, 0.0022585100000000, -0.0003523900000000 ] - [ 0.0009188500000000, 0.0004735900000000, 0.0002597800000000 ] - [ -0.0001771600000000, 0.0000454300000000, -0.0001899300000000 ] - [ -0.0000427500000000, -0.0001863300000000, -0.0005586700000000 ] - [ -0.0002663400000000, -0.0000108100000000, -0.0001454400000000 ] - [ 0.0001159300000000, 0.0002546300000000, -0.0001454700000000 ] - [ -0.0002986500000000, -0.0000693300000000, -0.0002570800000000 ] - [ -0.0001330300000000, -0.0004136400000000, 0.0002388200000000 ] - [ 0.0002730700000000, 0.0002202700000000, 0.0007623000000000 ] - [ -0.0002591300000000, -0.0001438900000000, -0.0000115800000000 ] - [ -0.0000417900000000, -0.0000570800000000, 0.0001860200000000 ] - [ -0.0003580900000000, 0.0000436000000000, -0.0001977300000000 ] - [ -0.0002186700000000, 0.0002775700000000, 0.0002159500000000 ] - [ 0.0006154300000000, -0.0003410400000000, 0.0004243600000000 ] - [ 0.0001945600000000, -0.0003090300000000, -0.0001873500000000 ] - [ 0.0005585200000000, -0.0003037600000000, -0.0015650800000000 ] - [ -0.0003826800000000, -0.0003018200000000, 0.0000886400000000 ] - [ -0.0002472100000000, 0.0004733400000000, 0.0003831100000000 ] - [ -0.0004947300000000, -0.0000228800000000, -0.0002069500000000 ] - [ -0.0000151900000000, -0.0000084400000000, 0.0006763300000000 ] - [ -0.0035886000000000, 0.0020638100000000, -0.0008348600000000 ] - [ -0.0000842500000000, 0.0001304900000000, 0.0001054700000000 ] - [ 0.0006353300000000, -0.0004122500000000, -0.0000259500000000 ] - [ 0.0000156400000000, -0.0000964200000000, -0.0001773600000000 ] - [ 0.0000351500000000, 0.0000019200000000, 0.0001867800000000 ] - [ -0.0000327200000000, -0.0000174900000000, -0.0002520600000000 ] - [ 0.0000237300000000, 0.0000054700000000, -0.0004611300000000 ] - [ -0.0002393300000000, -0.0004565600000000, 0.0003770100000000 ] - [ 0.0003979900000000, 0.0000193700000000, -0.0000085800000000 ] - [ 0.0013291500000000, -0.0012356000000000, -0.0005642600000000 ] - [ -0.0000335300000000, -0.0002482600000000, 0.0002087800000000 ] - [ 0.0000839900000000, -0.0000188700000000, 0.0000185100000000 ] - [ 0.0000845400000000, 0.0000307700000000, -0.0001718600000000 ] - [ 0.0002435000000000, -0.0004132100000000, -0.0006986600000000 ] - [ -0.0000550300000000, 0.0002159800000000, -0.0006647500000000 ] - [ 0.0005236900000000, -0.0005940000000000, -0.0001996000000000 ] - [ -0.0012777600000000, -0.0022240700000000, 0.0036995900000000 ] - [ 0.0013063000000000, 0.0034888600000000, -0.0016228600000000 ] - [ -0.0003085600000000, -0.0030048800000000, -0.0000840300000000 ] - [ 0.0001109700000000, -0.0001635900000000, -0.0000790900000000 ] - [ -0.0001024300000000, 0.0001250900000000, -0.0000394900000000 ] - [ -0.0044505300000000, -0.0019222900000000, -0.0005519900000000 ] - [ 0.0007617900000000, -0.0009194300000000, 0.0000391500000000 ] - [ 0.0006186800000000, -0.0052002700000000, -0.0006568600000000 ] - [ -0.0000729900000000, -0.0001072000000000, 0.0001084000000000 ] - [ 0.0003204100000000, -0.0001418000000000, 0.0001810400000000 ] - [ -0.0000231800000000, 0.0000254400000000, 0.0001871100000000 ] - [ 0.0000032500000000, -0.0000666700000000, 0.0002023300000000 ] - [ 0.0002296400000000, 0.0000301100000000, 0.0000145000000000 ] - [ -0.0002142500000000, -0.0000449800000000, -0.0001140800000000 ] - [ 0.0004687800000000, 0.0015028200000000, 0.0001770300000000 ] - [ 0.0000980100000000, -0.0000093300000000, 0.0001115500000000 ] - [ -0.0002283600000000, -0.0000197100000000, 0.0000069000000000 ] - [ -0.0001097000000000, 0.0000619600000000, -0.0003641000000000 ] - [ 0.0003557800000000, 0.0006803200000000, 0.0015841300000000 ] - [ -0.0004422900000000, -0.0001918200000000, 0.0000379300000000 ] - [ -0.0000200900000000, -0.0001422100000000, 0.0000404500000000 ] - [ -0.0000510000000000, -0.0000237500000000, 0.0000959300000000 ] - [ -0.0002345000000000, 0.0000266200000000, 0.0001457300000000 ] - [ -0.0003663300000000, -0.0001488200000000, 0.0000087000000000 ] - [ 0.0000685700000000, -0.0000642100000000, 0.0001399600000000 ] - [ -0.0028979900000000, 0.0032992000000000, 0.0006786500000000 ] - [ 0.0001407400000000, 0.0001830500000000, 0.0001613500000000 ] - [ 0.0008130100000000, -0.0006141200000000, -0.0000623900000000 ] - [ 0.0002131200000000, -0.0002197100000000, -0.0004262000000000 ] - [ -0.0036634400000000, 0.0035841500000000, -0.0014844300000000 ] - [ 0.0007253600000000, -0.0005662100000000, 0.0000762900000000 ] - [ -0.0001140000000000, 0.0002459500000000, 0.0001369100000000 ] - [ 0.0001024700000000, -0.0002012900000000, 0.0001602800000000 ] - [ 0.0000228300000000, 0.0000825200000000, -0.0003919600000000 ] - [ 0.0000908300000000, 0.0000401200000000, 0.0001798600000000 ] - [ -0.0000283400000000, 0.0000641000000000, -0.0001071900000000 ] - [ -0.0000759000000000, 0.0001057200000000, 0.0000744400000000 ]- atom: 25 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0001282300000000, 0.0000321900000000, 0.0002469200000000 ] - [ 0.0001975900000000, 0.0001985800000000, 0.0001669100000000 ] - [ 0.0000099100000000, 0.0000607000000000, 0.0001078300000000 ] - [ 0.0004152100000000, -0.0007763800000000, -0.0042534800000000 ] - [ -0.0001143600000000, 0.0002253200000000, -0.0002253900000000 ] - [ -0.0001760500000000, -0.0000913800000000, 0.0000506700000000 ] - [ 0.0003188200000000, -0.0000726100000000, 0.0000256800000000 ] - [ -0.0001030100000000, -0.0002260400000000, -0.0002147900000000 ] - [ -0.0000986400000000, 0.0001143100000000, 0.0000474800000000 ] - [ 0.0000127900000000, 0.0001264600000000, -0.0003052700000000 ] - [ -0.0020589300000000, 0.0009003200000000, 0.0021908100000000 ] - [ -0.0000737600000000, -0.0001937800000000, -0.0001924500000000 ] - [ 0.0000562600000000, -0.0003296500000000, 0.0028915800000000 ] - [ 0.0000045400000000, -0.0000557300000000, 0.0002208800000000 ] - [ 0.0002526100000000, -0.0000709900000000, -0.0000972800000000 ] - [ 0.0003449300000000, -0.0001923900000000, 0.0002257300000000 ] - [ 0.0007421100000000, 0.0002546900000000, -0.0003733300000000 ] - [ -0.0004840400000000, 0.0001868600000000, -0.0003852500000000 ] - [ 0.0026366100000000, -0.0006663300000000, 0.0000227400000000 ] - [ -0.0017438100000000, 0.0009533800000000, -0.0017915300000000 ] - [ 0.0002717700000000, -0.0000888300000000, 0.0000343800000000 ] - [ 0.0002743600000000, -0.0006152700000000, 0.0000790600000000 ] - [ -0.0000375000000000, -0.0003172400000000, 0.0000981500000000 ] - [ 0.0001854600000000, 0.0000321400000000, 0.0002633800000000 ] - [ -0.0189099200000000, 0.0300710500000000, 0.0011627100000000 ] - [ -0.0004092300000000, -0.0007393500000000, -0.0006862900000000 ] - [ 0.0002874700000000, 0.0002402200000000, -0.0001374200000000 ] - [ -0.0000850900000000, -0.0000021800000000, 0.0002516000000000 ] - [ 0.0002335100000000, 0.0000646800000000, 0.0000403600000000 ] - [ 0.0000278400000000, 0.0000800800000000, 0.0002089300000000 ] - [ 0.0001052300000000, 0.0001791100000000, -0.0001239100000000 ] - [ 0.0002892200000000, 0.0000130100000000, -0.0002663800000000 ] - [ 0.0000844700000000, 0.0000266100000000, 0.0002338100000000 ] - [ 0.0000793900000000, -0.0000715200000000, 0.0002375400000000 ] - [ 0.0001589400000000, 0.0000583900000000, -0.0001588500000000 ] - [ -0.0003166200000000, -0.0005127600000000, 0.0005106900000000 ] - [ -0.0003280500000000, 0.0002939100000000, 0.0000301200000000 ] - [ -0.0001152400000000, 0.0002864800000000, -0.0001438000000000 ] - [ -0.0000820500000000, -0.0004982500000000, 0.0000637600000000 ] - [ -0.0000416900000000, -0.0001530600000000, 0.0000485100000000 ] - [ -0.0005378800000000, 0.0002836100000000, 0.0002118900000000 ] - [ 0.0007003900000000, -0.0007059900000000, 0.0007972600000000 ] - [ 0.0003845200000000, -0.0002396100000000, -0.0001886200000000 ] - [ -0.0000294300000000, 0.0002027300000000, 0.0002142600000000 ] - [ -0.0005659200000000, 0.0009367500000000, 0.0002209200000000 ] - [ 0.0000139900000000, -0.0000949700000000, 0.0002850300000000 ] - [ 0.0001976100000000, -0.0005218200000000, 0.0001736000000000 ] - [ -0.0011983900000000, 0.0018939700000000, 0.0000475800000000 ] - [ 0.0052624300000000, -0.0018597800000000, 0.0001879200000000 ] - [ 0.0007341200000000, 0.0002249600000000, 0.0003496900000000 ] - [ -0.0000597200000000, 0.0000311800000000, 0.0002585900000000 ] - [ -0.0003504800000000, 0.0003009200000000, 0.0002371400000000 ] - [ 0.0000929500000000, -0.0005261600000000, -0.0003383000000000 ] - [ -0.0001191300000000, 0.0001003000000000, -0.0001544200000000 ] - [ 0.0000483800000000, -0.0000375500000000, 0.0000506800000000 ] - [ 0.0003632700000000, -0.0007057600000000, 0.0000639800000000 ] - [ -0.0001037400000000, -0.0000256200000000, -0.0002232000000000 ] - [ -0.0002462100000000, -0.0000591000000000, 0.0004441500000000 ] - [ 0.0011003200000000, -0.0012447800000000, 0.0003114800000000 ] - [ -0.0012338200000000, -0.0005564500000000, 0.0003081700000000 ] - [ 0.0008889700000000, -0.0006065700000000, -0.0009012200000000 ] - [ -0.0001824200000000, -0.0002061400000000, -0.0001073600000000 ] - [ 0.0000967500000000, 0.0000438400000000, 0.0000444200000000 ] - [ 0.0000183800000000, 0.0000045800000000, 0.0003131500000000 ] - [ -0.0005527500000000, -0.0000340100000000, 0.0000344000000000 ] - [ -0.0001774200000000, -0.0001516300000000, -0.0004077000000000 ] - [ -0.0060210300000000, -0.0126169500000000, 0.0030754000000000 ] - [ 0.0014329300000000, -0.0011744600000000, 0.0005846100000000 ] - [ 0.0020922400000000, -0.0115629200000000, -0.0032663000000000 ] - [ 0.0000806400000000, 0.0000157600000000, 0.0004148000000000 ] - [ 0.0004165700000000, 0.0000673800000000, -0.0002741300000000 ] - [ 0.0002297200000000, 0.0000795600000000, -0.0002775500000000 ] - [ -0.0003279800000000, 0.0001131800000000, -0.0002445700000000 ] - [ 0.0004007800000000, 0.0017843600000000, -0.0073131100000000 ] - [ -0.0003016200000000, -0.0000671200000000, 0.0005240400000000 ] - [ 0.0000913300000000, -0.0001824600000000, -0.0002810600000000 ] - [ -0.0002594300000000, 0.0001939100000000, -0.0003138700000000 ] - [ 0.0002213600000000, -0.0002088600000000, 0.0004284500000000 ] - [ -0.0003563200000000, -0.0002654800000000, -0.0001193500000000 ] - [ 0.0019895700000000, 0.0022641300000000, 0.0030017000000000 ] - [ -0.0000325500000000, 0.0000061800000000, -0.0004905600000000 ] - [ -0.0000362000000000, -0.0000201600000000, -0.0001656100000000 ] - [ 0.0020642500000000, 0.0002579000000000, 0.0002451400000000 ] - [ 0.0014548500000000, -0.0019266000000000, -0.0005076100000000 ] - [ 0.0001793900000000, 0.0000979200000000, 0.0003731700000000 ] - [ 0.0000748700000000, 0.0002194900000000, -0.0005765800000000 ] - [ -0.0001654300000000, -0.0000350100000000, 0.0001926500000000 ] - [ -0.0005882700000000, 0.0000632600000000, 0.0000226400000000 ] - [ 0.0005462800000000, -0.0001814500000000, 0.0001988800000000 ] - [ 0.0005753800000000, -0.0000804600000000, 0.0003603400000000 ] - [ 0.0000188000000000, -0.0000040500000000, 0.0007160100000000 ] - [ 0.0001623200000000, 0.0002376800000000, -0.0001742500000000 ] - [ -0.0001648700000000, 0.0008037100000000, -0.0002561000000000 ] - [ 0.0012967000000000, -0.0012094200000000, 0.0015679900000000 ] - [ -0.0005445300000000, -0.0016650000000000, 0.0016021400000000 ] - [ -0.0005188500000000, -0.0000793000000000, -0.0003192400000000 ] - [ 0.0000626400000000, -0.0000274300000000, 0.0002475300000000 ] - [ -0.0002398800000000, 0.0001464500000000, 0.0003384600000000 ] - [ 0.0005067300000000, -0.0000036800000000, 0.0003969300000000 ] - [ -0.0022764400000000, 0.0024965500000000, -0.0003658400000000 ] - [ 0.0001529400000000, -0.0001149700000000, -0.0005518500000000 ] - [ -0.0001823200000000, 0.0000855900000000, -0.0001979900000000 ] - [ -0.0000790400000000, 0.0001368500000000, -0.0000587300000000 ] - [ 0.0046729500000000, -0.0045152000000000, -0.0020037200000000 ] - [ -0.0015504800000000, -0.0002292700000000, 0.0002757600000000 ] - [ 0.0001541900000000, 0.0001719800000000, -0.0001165100000000 ] - [ 0.0001540700000000, 0.0001792000000000, 0.0001518300000000 ] - [ -0.0001628400000000, 0.0001344400000000, -0.0000067800000000 ] - [ -0.0007914400000000, 0.0005364900000000, -0.0005859300000000 ] - [ 0.0002012300000000, -0.0000514600000000, -0.0003359900000000 ] - [ -0.0000179800000000, 0.0000311900000000, 0.0002502400000000 ] - [ 0.0005218100000000, -0.0001318700000000, -0.0001805500000000 ] - [ -0.0000197900000000, 0.0000598000000000, -0.0001115400000000 ] - [ 0.0000560500000000, 0.0000235400000000, -0.0002241000000000 ] - [ -0.0001535300000000, 0.0004414800000000, 0.0001539700000000 ] - [ -0.0003490100000000, 0.0019368700000000, 0.0030300100000000 ] - [ 0.0006670600000000, -0.0022561700000000, 0.0000178600000000 ] - [ -0.0008037000000000, -0.0002735200000000, -0.0000081800000000 ] - [ -0.0000350800000000, -0.0000539900000000, -0.0001453100000000 ] - [ 0.0001771600000000, -0.0001150400000000, -0.0000874500000000 ] - [ -0.0002550500000000, 0.0000175000000000, -0.0001010300000000 ] - [ 0.0001333700000000, 0.0002004100000000, -0.0001011100000000 ] - [ 0.0000395700000000, 0.0002358800000000, -0.0002434100000000 ] - [ -0.0001817400000000, -0.0001309300000000, 0.0001904200000000 ] - [ -0.0001550000000000, -0.0002113200000000, -0.0012849600000000 ] - [ 0.0004187600000000, -0.0001157400000000, -0.0000816400000000 ] - [ -0.0000362200000000, -0.0000883600000000, 0.0001328300000000 ] - [ 0.0000283500000000, -0.0000791800000000, -0.0004489400000000 ] - [ -0.0000985400000000, 0.0002621700000000, 0.0002110300000000 ] - [ -0.0009887200000000, 0.0006172800000000, 0.0001245400000000 ] - [ 0.0000619400000000, -0.0001672800000000, -0.0000611200000000 ] - [ -0.0002910100000000, 0.0001742700000000, 0.0010724200000000 ] - [ 0.0000315200000000, 0.0000323500000000, 0.0004571400000000 ] - [ -0.0003019700000000, 0.0004877100000000, 0.0004209300000000 ] - [ 0.0003646100000000, 0.0002655300000000, -0.0001617600000000 ] - [ 0.0000146600000000, 0.0000074900000000, 0.0003906100000000 ] - [ 0.0037577400000000, -0.0020731100000000, 0.0005373700000000 ] - [ -0.0000021600000000, 0.0000237600000000, 0.0002095200000000 ] - [ -0.0008993300000000, 0.0002545200000000, -0.0004733700000000 ] - [ 0.0000832200000000, -0.0000921100000000, -0.0001583100000000 ] - [ 0.0001419700000000, 0.0000007000000000, 0.0001280700000000 ] - [ 0.0000337800000000, 0.0000212500000000, 0.0002197900000000 ] - [ -0.0000220100000000, -0.0000021600000000, -0.0004130200000000 ] - [ -0.0003120000000000, -0.0004982900000000, 0.0004271600000000 ] - [ -0.0001521300000000, -0.0000197100000000, 0.0000141200000000 ] - [ -0.0009075900000000, 0.0010521300000000, 0.0011163400000000 ] - [ -0.0000412100000000, -0.0003734900000000, 0.0001684400000000 ] - [ -0.0002061700000000, -0.0001928900000000, -0.0000135000000000 ] - [ 0.0000170200000000, 0.0001456200000000, -0.0001632700000000 ] - [ -0.0003042900000000, 0.0003094400000000, 0.0001911700000000 ] - [ 0.0002307800000000, -0.0002240800000000, 0.0004647300000000 ] - [ -0.0002992700000000, 0.0009834300000000, -0.0001369800000000 ] - [ 0.0012823300000000, 0.0022338100000000, -0.0020840800000000 ] - [ -0.0003643300000000, -0.0045149800000000, 0.0006447600000000 ] - [ 0.0010811800000000, 0.0044738600000000, -0.0008813300000000 ] - [ 0.0001557800000000, -0.0002852000000000, -0.0001674100000000 ] - [ 0.0002421900000000, 0.0001818400000000, -0.0006099000000000 ] - [ 0.0028123500000000, 0.0019740800000000, -0.0004162000000000 ] - [ -0.0007673000000000, 0.0006115800000000, -0.0005393800000000 ] - [ 0.0001620400000000, 0.0037275400000000, -0.0003092700000000 ] - [ -0.0000142400000000, -0.0000329500000000, 0.0002104800000000 ] - [ 0.0002673900000000, -0.0000979700000000, 0.0001962300000000 ] - [ -0.0000596900000000, 0.0001089800000000, 0.0001333600000000 ] - [ -0.0000478800000000, -0.0000102600000000, 0.0002481700000000 ] - [ -0.0002330300000000, -0.0000353700000000, -0.0000926400000000 ] - [ -0.0003271600000000, 0.0000292100000000, -0.0001345800000000 ] - [ -0.0005392700000000, -0.0010468700000000, 0.0003678500000000 ] - [ 0.0000591600000000, 0.0000048400000000, 0.0002089900000000 ] - [ -0.0002716500000000, -0.0003542300000000, 0.0003695000000000 ] - [ 0.0000502000000000, 0.0000555400000000, -0.0001463800000000 ] - [ -0.0004225800000000, -0.0011038800000000, -0.0010267800000000 ] - [ 0.0004849600000000, 0.0001035400000000, -0.0000864600000000 ] - [ -0.0000953700000000, -0.0000577000000000, 0.0001555800000000 ] - [ 0.0000477000000000, 0.0000066700000000, 0.0000608700000000 ] - [ -0.0002237600000000, -0.0000207100000000, 0.0001914600000000 ] - [ 0.0003925700000000, 0.0000997500000000, 0.0000296000000000 ] - [ -0.0000713800000000, 0.0000591000000000, 0.0000150700000000 ] - [ 0.0029299300000000, -0.0032949500000000, -0.0006994000000000 ] - [ 0.0000925200000000, 0.0002212800000000, 0.0001743200000000 ] - [ -0.0007681500000000, 0.0006891800000000, 0.0000068100000000 ] - [ -0.0001962800000000, 0.0002506900000000, -0.0002779800000000 ] - [ 0.0036333000000000, -0.0035792300000000, 0.0014974500000000 ] - [ -0.0006971600000000, 0.0006114000000000, -0.0000387600000000 ] - [ 0.0001005800000000, -0.0002392700000000, -0.0008419800000000 ] - [ 0.0001315300000000, -0.0001924300000000, 0.0001768600000000 ] - [ -0.0000100500000000, -0.0000923900000000, -0.0003159100000000 ] - [ 0.0001465700000000, -0.0000374700000000, 0.0000130600000000 ] - [ 0.0000144700000000, -0.0000756400000000, 0.0002652300000000 ] - [ -0.0000405700000000, 0.0001016000000000, 0.0001201300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000594400000000, 0.0001467900000000, 0.0004725300000000 ] - [ 0.0004513600000000, 0.0003000700000000, -0.0000764000000000 ] - [ -0.0001001900000000, -0.0000040100000000, 0.0003645100000000 ] - [ -0.0022085500000000, 0.0035135000000000, 0.0034985200000000 ] - [ -0.0001000800000000, 0.0002165800000000, 0.0001295900000000 ] - [ 0.0000678400000000, 0.0000002400000000, 0.0003854800000000 ] - [ 0.0002066000000000, -0.0000076100000000, 0.0001903600000000 ] - [ -0.0001000800000000, -0.0002165800000000, 0.0001295900000000 ] - [ -0.0000516300000000, 0.0000951000000000, 0.0004036500000000 ] - [ -0.0003522900000000, 0.0004456500000000, 0.0006151000000000 ] - [ -0.0022085500000000, -0.0035135000000000, 0.0034985200000000 ] - [ -0.0000857900000000, -0.0001838600000000, 0.0003388000000000 ] - [ 0.0013395600000000, -0.0030993600000000, 0.0026068100000000 ] - [ -0.0000073400000000, -0.0000798500000000, 0.0006648200000000 ] - [ 0.0002650000000000, -0.0000770500000000, 0.0002439700000000 ] - [ 0.0004513600000000, -0.0003000700000000, -0.0000764000000000 ] - [ -0.0008218400000000, 0.0000000000000000, 0.0003073000000000 ] - [ 0.0002944200000000, 0.0007999200000000, -0.0001761600000000 ] - [ -0.0001176500000000, 0.0003724800000000, -0.0017282400000000 ] - [ 0.0013395600000000, 0.0030993600000000, 0.0026068100000000 ] - [ 0.0002066000000000, 0.0000076100000000, 0.0001903600000000 ] - [ 0.0001681100000000, 0.0000372400000000, -0.0005340500000000 ] - [ 0.0000594400000000, -0.0001467900000000, 0.0004725300000000 ] - [ 0.0004137700000000, 0.0000000000000000, 0.0007299500000000 ] - [ 0.0018016100000000, 0.0000000000000000, -0.0337106600000000 ] - [ -0.0001444300000000, -0.0001446700000000, -0.0004527100000000 ] - [ -0.0004968500000000, -0.0001055800000000, -0.0003935200000000 ] - [ -0.0000284300000000, 0.0000239000000000, 0.0006652400000000 ] - [ 0.0001010600000000, 0.0002307900000000, 0.0004879500000000 ] - [ -0.0000073400000000, 0.0000798500000000, 0.0006648200000000 ] - [ 0.0005849000000000, 0.0000000000000000, 0.0011554400000000 ] - [ 0.0001698900000000, 0.0000000000000000, 0.0001967900000000 ] - [ 0.0000392000000000, 0.0000429800000000, 0.0005890000000000 ] - [ 0.0000392000000000, -0.0000429800000000, 0.0005890000000000 ] - [ 0.0002650000000000, 0.0000770500000000, 0.0002439700000000 ] - [ -0.0001430900000000, -0.0001232700000000, -0.0002441600000000 ] - [ -0.0001924600000000, 0.0002913400000000, 0.0002270500000000 ] - [ -0.0000857900000000, 0.0001838600000000, 0.0003388000000000 ] - [ -0.0001924600000000, -0.0002913400000000, 0.0002270500000000 ] - [ -0.0000516300000000, -0.0000951000000000, 0.0004036500000000 ] - [ 0.0001253000000000, -0.0006160300000000, -0.0004127800000000 ] - [ 0.0002944200000000, -0.0007999200000000, -0.0001761600000000 ] - [ -0.0004968500000000, 0.0001055800000000, -0.0003935200000000 ] - [ 0.0000678400000000, -0.0000002400000000, 0.0003854800000000 ] - [ -0.0001176500000000, -0.0003724800000000, -0.0017282400000000 ] - [ 0.0001010600000000, -0.0002307900000000, 0.0004879500000000 ] - [ -0.0001444300000000, 0.0001446700000000, -0.0004527100000000 ] - [ 0.0001241600000000, 0.0000189500000000, -0.0025637600000000 ] - [ 0.0001241600000000, -0.0000189500000000, -0.0025637600000000 ] - [ 0.0012812800000000, 0.0000000000000000, 0.0000766500000000 ] - [ -0.0000284300000000, -0.0000239000000000, 0.0006652400000000 ] - [ -0.0002464100000000, 0.0004537800000000, 0.0009196800000000 ] - [ -0.0001430900000000, 0.0001232700000000, -0.0002441600000000 ] - [ -0.0001713700000000, 0.0002080500000000, 0.0002271700000000 ] - [ -0.0001001900000000, 0.0000040100000000, 0.0003645100000000 ] - [ 0.0001681100000000, -0.0000372400000000, -0.0005340500000000 ] - [ -0.0003522900000000, -0.0004456500000000, 0.0006151000000000 ] - [ -0.0002464100000000, -0.0004537800000000, 0.0009196800000000 ] - [ -0.0000832700000000, -0.0001520200000000, -0.0003096900000000 ] - [ -0.0000832700000000, 0.0001520200000000, -0.0003096900000000 ] - [ 0.0001253000000000, 0.0006160300000000, -0.0004127800000000 ] - [ -0.0001713700000000, -0.0002080500000000, 0.0002271700000000 ] - [ 0.0001045000000000, 0.0000000000000000, 0.0005565200000000 ] - [ 0.0002453200000000, 0.0002662000000000, 0.0009204700000000 ] - [ -0.0006013100000000, -0.0008317200000000, -0.0001423700000000 ] - [ -0.0001387000000000, 0.0009062600000000, 0.0011850300000000 ] - [ 0.0001960600000000, -0.0005755600000000, -0.0039131500000000 ] - [ 0.0007803200000000, -0.0008214600000000, -0.0013128300000000 ] - [ 0.0001960600000000, 0.0005755600000000, -0.0039131500000000 ] - [ 0.0000439000000000, 0.0000000000000000, 0.0014867200000000 ] - [ -0.0002746800000000, 0.0000000000000000, 0.0002289800000000 ] - [ 0.0000468000000000, 0.0002795200000000, 0.0008029600000000 ] - [ -0.0000751000000000, 0.0000000000000000, 0.0010432200000000 ] - [ -0.0109806400000000, 0.0000000000000000, 0.0037130100000000 ] - [ -0.0001387000000000, -0.0009062600000000, 0.0011850300000000 ] - [ 0.0000468000000000, -0.0002795200000000, 0.0008029600000000 ] - [ -0.0005364200000000, 0.0000000000000000, 0.0025184800000000 ] - [ 0.0002453200000000, -0.0002662000000000, 0.0009204700000000 ] - [ 0.0007803200000000, 0.0008214600000000, -0.0013128300000000 ] - [ 0.0124729600000000, 0.0000000000000000, 0.0051844700000000 ] - [ -0.0000096000000000, 0.0000609700000000, 0.0008683600000000 ] - [ -0.0000096000000000, -0.0000609700000000, 0.0008683600000000 ] - [ 0.0000029600000000, 0.0000000000000000, -0.0019852600000000 ] - [ -0.0006013100000000, 0.0008317200000000, -0.0001423700000000 ] - [ 0.0000482500000000, -0.0005650200000000, -0.0003212800000000 ] - [ 0.0000482500000000, 0.0005650200000000, -0.0003212800000000 ] - [ -0.0001054300000000, 0.0000000000000000, 0.0000856900000000 ] - [ 0.0002508800000000, -0.0002519900000000, 0.0008947800000000 ] - [ 0.0007771700000000, 0.0008265200000000, 0.0003317100000000 ] - [ 0.0003631500000000, 0.0000000000000000, -0.0004602600000000 ] - [ 0.0000037100000000, -0.0000550500000000, -0.0002252000000000 ] - [ 0.0000658600000000, -0.0001309700000000, -0.0004979600000000 ] - [ 0.0000190800000000, 0.0003478400000000, 0.0001735600000000 ] - [ 0.0041122500000000, 0.0000000000000000, -0.0028820800000000 ] - [ 0.0021823100000000, 0.0016743200000000, -0.0008927600000000 ] - [ -0.0001135200000000, 0.0000000000000000, 0.0010999700000000 ] - [ 0.0000062700000000, 0.0000000000000000, -0.0006113200000000 ] - [ 0.0000447100000000, -0.0002121100000000, -0.0004696200000000 ] - [ 0.0003944900000000, 0.0000000000000000, 0.0000229200000000 ] - [ -0.0004946700000000, 0.0001460700000000, 0.0006718900000000 ] - [ 0.0000658600000000, 0.0001309700000000, -0.0004979600000000 ] - [ -0.0001616700000000, 0.0000838900000000, -0.0004577900000000 ] - [ -0.0002320200000000, -0.0002693000000000, -0.0006726300000000 ] - [ 0.0001873200000000, 0.0012646800000000, 0.0024633200000000 ] - [ -0.0005406100000000, 0.0000000000000000, 0.0012117100000000 ] - [ 0.0001464700000000, 0.0003245500000000, -0.0005603200000000 ] - [ 0.0000986000000000, 0.0001559300000000, -0.0000746000000000 ] - [ -0.0000086800000000, -0.0000169400000000, -0.0002408400000000 ] - [ -0.0001825800000000, 0.0000845800000000, 0.0006841800000000 ] - [ -0.0006790300000000, -0.0007893900000000, -0.0000697400000000 ] - [ -0.0000074500000000, 0.0000386200000000, -0.0004615800000000 ] - [ 0.0000883400000000, 0.0001582800000000, 0.0001450900000000 ] - [ -0.0001616700000000, -0.0000838900000000, -0.0004577900000000 ] - [ 0.0000358700000000, 0.0001600800000000, -0.0007805000000000 ] - [ -0.0001717300000000, 0.0005056900000000, -0.0001079900000000 ] - [ -0.0002290200000000, -0.0006917800000000, 0.0031138100000000 ] - [ -0.0023443000000000, 0.0000000000000000, 0.0048190600000000 ] - [ 0.0002508800000000, 0.0002519900000000, 0.0008947800000000 ] - [ -0.0003197000000000, 0.0000000000000000, -0.0006614700000000 ] - [ 0.0001926800000000, -0.0008411800000000, -0.0009615400000000 ] - [ -0.0003555800000000, 0.0000084900000000, -0.0004661300000000 ] - [ 0.0002447500000000, 0.0003983600000000, -0.0005235000000000 ] - [ -0.0003489800000000, -0.0001056000000000, -0.0000176700000000 ] - [ -0.0001176000000000, -0.0001101500000000, -0.0000433000000000 ] - [ -0.0021284400000000, 0.0000000000000000, -0.0034161500000000 ] - [ 0.0000190800000000, -0.0003478400000000, 0.0001735600000000 ] - [ -0.0000962100000000, -0.0001546400000000, -0.0002649500000000 ] - [ -0.0002320200000000, 0.0002693000000000, -0.0006726300000000 ] - [ -0.0001176000000000, 0.0001101500000000, -0.0000433000000000 ] - [ 0.0001965400000000, -0.0000369800000000, 0.0005787700000000 ] - [ 0.0002447500000000, -0.0003983600000000, -0.0005235000000000 ] - [ 0.0021823100000000, -0.0016743200000000, -0.0008927600000000 ] - [ 0.0001965400000000, 0.0000369800000000, 0.0005787700000000 ] - [ -0.0002130700000000, 0.0003856600000000, 0.0000453400000000 ] - [ -0.0001825800000000, -0.0000845800000000, 0.0006841800000000 ] - [ 0.0000037100000000, 0.0000550500000000, -0.0002252000000000 ] - [ -0.0011722600000000, 0.0000000000000000, 0.0029769900000000 ] - [ -0.0000962100000000, 0.0001546400000000, -0.0002649500000000 ] - [ -0.0003489800000000, 0.0001056000000000, -0.0000176700000000 ] - [ 0.0001092200000000, -0.0001563400000000, -0.0005074700000000 ] - [ 0.0002287000000000, 0.0000174400000000, -0.0002459900000000 ] - [ 0.0000358700000000, -0.0001600800000000, -0.0007805000000000 ] - [ -0.0000085900000000, 0.0000000000000000, -0.0011543600000000 ] - [ -0.0002130700000000, -0.0003856600000000, 0.0000453400000000 ] - [ 0.0003072200000000, 0.0000000000000000, -0.0002888200000000 ] - [ 0.0007771700000000, -0.0008265200000000, 0.0003317100000000 ] - [ -0.0001717300000000, -0.0005056900000000, -0.0001079900000000 ] - [ -0.0000086800000000, 0.0000169400000000, -0.0002408400000000 ] - [ 0.0001092200000000, 0.0001563400000000, -0.0005074700000000 ] - [ 0.0000935900000000, -0.0002246600000000, -0.0002003700000000 ] - [ 0.0005608100000000, 0.0000000000000000, -0.0017252900000000 ] - [ 0.0000883400000000, -0.0001582800000000, 0.0001450900000000 ] - [ -0.0002290200000000, 0.0006917800000000, 0.0031138100000000 ] - [ 0.0001873200000000, -0.0012646800000000, 0.0024633200000000 ] - [ 0.0001498000000000, 0.0005542200000000, 0.0002366100000000 ] - [ 0.0001464700000000, -0.0003245500000000, -0.0005603200000000 ] - [ 0.0001926800000000, 0.0008411800000000, -0.0009615400000000 ] - [ -0.0004946700000000, -0.0001460700000000, 0.0006718900000000 ] - [ -0.0006790300000000, 0.0007893900000000, -0.0000697400000000 ] - [ 0.0001498000000000, -0.0005542200000000, 0.0002366100000000 ] - [ -0.0001211800000000, -0.0002118100000000, -0.0002402500000000 ] - [ 0.0000986000000000, -0.0001559300000000, -0.0000746000000000 ] - [ -0.0001211800000000, 0.0002118100000000, -0.0002402500000000 ] - [ -0.0000074500000000, -0.0000386200000000, -0.0004615800000000 ] - [ 0.0000834900000000, 0.0000000000000000, -0.0003215900000000 ] - [ -0.0003555800000000, -0.0000084900000000, -0.0004661300000000 ] - [ -0.0033812200000000, -0.0016042200000000, 0.0005649400000000 ] - [ 0.0002287000000000, -0.0000174400000000, -0.0002459900000000 ] - [ 0.0000447100000000, 0.0002121100000000, -0.0004696200000000 ] - [ 0.0000935900000000, 0.0002246600000000, -0.0002003700000000 ] - [ -0.0033812200000000, 0.0016042200000000, 0.0005649400000000 ] - [ 0.0001737300000000, 0.0001725500000000, 0.0004626400000000 ] - [ -0.0000271700000000, -0.0001307000000000, -0.0001831700000000 ] - [ -0.0000326300000000, -0.0000357200000000, -0.0001908700000000 ] - [ -0.0002258700000000, 0.0000000000000000, -0.0002721100000000 ] - [ -0.0001492300000000, -0.0003052200000000, 0.0006342100000000 ] - [ -0.0000326300000000, 0.0000357200000000, -0.0001908700000000 ] - [ -0.0012769800000000, 0.0000000000000000, 0.0053410100000000 ] - [ 0.0001163100000000, 0.0002063300000000, -0.0001595900000000 ] - [ 0.0001737300000000, -0.0001725500000000, 0.0004626400000000 ] - [ 0.0001581500000000, -0.0002027600000000, -0.0005072100000000 ] - [ 0.0029751600000000, 0.0000000000000000, 0.0068529700000000 ] - [ -0.0001492300000000, 0.0003052200000000, 0.0006342100000000 ] - [ -0.0005996300000000, 0.0000000000000000, -0.0013819600000000 ] - [ 0.0001163100000000, -0.0002063300000000, -0.0001595900000000 ] - [ 0.0001581500000000, 0.0002027600000000, -0.0005072100000000 ] - [ 0.0000632900000000, 0.0000000000000000, -0.0004999200000000 ] - [ 0.0001152700000000, 0.0000000000000000, -0.0006430000000000 ] - [ -0.0000271700000000, 0.0001307000000000, -0.0001831700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000047500000000, 0.0002773700000000, -0.0000487900000000 ] - [ -0.0005724100000000, -0.0000795900000000, 0.0004244400000000 ] - [ 0.0000419700000000, 0.0001130800000000, -0.0000930600000000 ] - [ 0.0022509200000000, -0.0038403800000000, -0.0032766400000000 ] - [ -0.0001520100000000, 0.0002271000000000, -0.0005659900000000 ] - [ -0.0002873900000000, -0.0003893100000000, -0.0003956600000000 ] - [ 0.0002466300000000, 0.0000150200000000, -0.0002032000000000 ] - [ -0.0001520100000000, -0.0002271000000000, -0.0005659900000000 ] - [ -0.0000788300000000, 0.0001424900000000, -0.0002896800000000 ] - [ 0.0001215000000000, -0.0000586200000000, -0.0006242800000000 ] - [ 0.0022509200000000, 0.0038403800000000, -0.0032766400000000 ] - [ -0.0000476700000000, -0.0002490200000000, -0.0005862600000000 ] - [ -0.0015159500000000, 0.0026536200000000, -0.0031802800000000 ] - [ 0.0000316700000000, -0.0000789600000000, -0.0001674400000000 ] - [ 0.0001683500000000, -0.0000289200000000, -0.0004955500000000 ] - [ -0.0005724100000000, 0.0000795900000000, 0.0004244400000000 ] - [ 0.0010808900000000, 0.0000000000000000, 0.0000398200000000 ] - [ -0.0000537800000000, -0.0006336400000000, 0.0004279700000000 ] - [ 0.0000941700000000, -0.0000790700000000, 0.0018465600000000 ] - [ -0.0015159500000000, -0.0026536200000000, -0.0031802800000000 ] - [ 0.0002466300000000, -0.0000150200000000, -0.0002032000000000 ] - [ 0.0000981800000000, 0.0000810300000000, 0.0006548600000000 ] - [ -0.0000047500000000, -0.0002773700000000, -0.0000487900000000 ] - [ -0.0002973700000000, 0.0000000000000000, -0.0004556900000000 ] - [ -0.0016995400000000, 0.0000000000000000, 0.0346675100000000 ] - [ -0.0001264700000000, -0.0002270100000000, -0.0001442000000000 ] - [ 0.0003848200000000, 0.0003055400000000, 0.0000490000000000 ] - [ -0.0001285300000000, -0.0000799800000000, -0.0001680200000000 ] - [ 0.0002347800000000, 0.0000215800000000, -0.0000641500000000 ] - [ 0.0000316700000000, 0.0000789600000000, -0.0001674400000000 ] - [ 0.0001658900000000, 0.0000000000000000, -0.0011061600000000 ] - [ 0.0003363800000000, 0.0000000000000000, -0.0006348300000000 ] - [ 0.0000916300000000, 0.0000589600000000, -0.0000939300000000 ] - [ 0.0000916300000000, -0.0000589600000000, -0.0000939300000000 ] - [ 0.0001683500000000, 0.0000289200000000, -0.0004955500000000 ] - [ -0.0001183800000000, 0.0000035500000000, 0.0004984400000000 ] - [ -0.0001888300000000, 0.0003566300000000, -0.0001884700000000 ] - [ -0.0000476700000000, 0.0002490200000000, -0.0005862600000000 ] - [ -0.0001888300000000, -0.0003566300000000, -0.0001884700000000 ] - [ -0.0000788300000000, -0.0001424900000000, -0.0002896800000000 ] - [ 0.0003402600000000, 0.0006696600000000, -0.0001852200000000 ] - [ -0.0000537800000000, 0.0006336400000000, 0.0004279700000000 ] - [ 0.0003848200000000, -0.0003055400000000, 0.0000490000000000 ] - [ -0.0002873900000000, 0.0003893100000000, -0.0003956600000000 ] - [ 0.0000941700000000, 0.0000790700000000, 0.0018465600000000 ] - [ 0.0002347800000000, -0.0000215800000000, -0.0000641500000000 ] - [ -0.0001264700000000, 0.0002270100000000, -0.0001442000000000 ] - [ -0.0003810800000000, -0.0002059500000000, 0.0026806300000000 ] - [ -0.0003810800000000, 0.0002059500000000, 0.0026806300000000 ] - [ -0.0010447400000000, 0.0000000000000000, -0.0004201400000000 ] - [ -0.0001285300000000, 0.0000799800000000, -0.0001680200000000 ] - [ -0.0001477400000000, -0.0002879200000000, -0.0004974000000000 ] - [ -0.0001183800000000, -0.0000035500000000, 0.0004984400000000 ] - [ -0.0001371900000000, 0.0001204400000000, -0.0004747100000000 ] - [ 0.0000419700000000, -0.0001130800000000, -0.0000930600000000 ] - [ 0.0000981800000000, -0.0000810300000000, 0.0006548600000000 ] - [ 0.0001215000000000, 0.0000586200000000, -0.0006242800000000 ] - [ -0.0001477400000000, 0.0002879200000000, -0.0004974000000000 ] - [ -0.0000517700000000, -0.0000890900000000, 0.0009079300000000 ] - [ -0.0000517700000000, 0.0000890900000000, 0.0009079300000000 ] - [ 0.0003402600000000, -0.0006696600000000, -0.0001852200000000 ] - [ -0.0001371900000000, -0.0001204400000000, -0.0004747100000000 ] - [ 0.0001725000000000, 0.0000000000000000, -0.0004455900000000 ] - [ -0.0001912000000000, -0.0003618800000000, -0.0003246300000000 ] - [ 0.0005321400000000, 0.0009478900000000, 0.0003818900000000 ] - [ 0.0001355900000000, -0.0009053500000000, -0.0010216300000000 ] - [ -0.0001782100000000, 0.0006169400000000, 0.0028849500000000 ] - [ -0.0004993400000000, 0.0013090000000000, 0.0012009700000000 ] - [ -0.0001782100000000, -0.0006169400000000, 0.0028849500000000 ] - [ -0.0000430600000000, 0.0000000000000000, -0.0005811600000000 ] - [ 0.0002725700000000, 0.0000000000000000, -0.0009045600000000 ] - [ 0.0001876600000000, 0.0001288300000000, -0.0012700600000000 ] - [ -0.0003923200000000, 0.0000000000000000, -0.0015136500000000 ] - [ 0.0102780900000000, 0.0000000000000000, -0.0038893600000000 ] - [ 0.0001355900000000, 0.0009053500000000, -0.0010216300000000 ] - [ 0.0001876600000000, -0.0001288300000000, -0.0012700600000000 ] - [ 0.0004315100000000, 0.0000000000000000, -0.0019339900000000 ] - [ -0.0001912000000000, 0.0003618800000000, -0.0003246300000000 ] - [ -0.0004993400000000, -0.0013090000000000, 0.0012009700000000 ] - [ -0.0123677800000000, 0.0000000000000000, -0.0050015400000000 ] - [ 0.0000096600000000, -0.0000707400000000, -0.0014542300000000 ] - [ 0.0000096600000000, 0.0000707400000000, -0.0014542300000000 ] - [ -0.0000083000000000, 0.0000000000000000, 0.0026833700000000 ] - [ 0.0005321400000000, -0.0009478900000000, 0.0003818900000000 ] - [ -0.0000503500000000, 0.0005676900000000, 0.0000818700000000 ] - [ -0.0000503500000000, -0.0005676900000000, 0.0000818700000000 ] - [ 0.0001085400000000, 0.0000000000000000, 0.0002416500000000 ] - [ -0.0001334900000000, 0.0000516200000000, -0.0006325900000000 ] - [ -0.0003463500000000, -0.0006426500000000, 0.0002270400000000 ] - [ 0.0002699400000000, 0.0000000000000000, 0.0008746900000000 ] - [ -0.0000042800000000, 0.0000552700000000, 0.0012726600000000 ] - [ 0.0001322200000000, 0.0004029800000000, -0.0001529800000000 ] - [ 0.0001363300000000, -0.0000863000000000, -0.0002708500000000 ] - [ -0.0043504300000000, 0.0000000000000000, 0.0027680900000000 ] - [ -0.0018995200000000, -0.0015268900000000, 0.0004042400000000 ] - [ 0.0001137900000000, 0.0000000000000000, -0.0019028800000000 ] - [ 0.0000782100000000, 0.0000000000000000, 0.0010614800000000 ] - [ -0.0005484200000000, 0.0005998700000000, 0.0008341000000000 ] - [ 0.0007131800000000, 0.0000000000000000, 0.0007689300000000 ] - [ -0.0011769600000000, -0.0001853000000000, -0.0016258700000000 ] - [ 0.0001322200000000, -0.0004029800000000, -0.0001529800000000 ] - [ 0.0000680000000000, -0.0002395800000000, 0.0002538500000000 ] - [ -0.0000981500000000, 0.0003035200000000, 0.0000232300000000 ] - [ 0.0006688800000000, 0.0001772700000000, -0.0034074900000000 ] - [ 0.0003141100000000, 0.0000000000000000, -0.0009497900000000 ] - [ 0.0001274100000000, 0.0001262400000000, 0.0003185200000000 ] - [ 0.0004819400000000, 0.0000838800000000, 0.0004373900000000 ] - [ -0.0001113300000000, 0.0002248200000000, 0.0002470600000000 ] - [ 0.0000524600000000, -0.0003187700000000, -0.0010500000000000 ] - [ 0.0006750400000000, 0.0010928500000000, -0.0004327800000000 ] - [ -0.0000381500000000, 0.0000361500000000, 0.0009124800000000 ] - [ 0.0001418200000000, -0.0005523900000000, -0.0004707900000000 ] - [ 0.0000680000000000, 0.0002395800000000, 0.0002538500000000 ] - [ -0.0000338900000000, -0.0001595000000000, 0.0007514500000000 ] - [ 0.0000957300000000, 0.0001121800000000, 0.0004710700000000 ] - [ 0.0002239300000000, 0.0006911300000000, -0.0014604400000000 ] - [ 0.0016609500000000, 0.0000000000000000, -0.0056308300000000 ] - [ -0.0001334900000000, -0.0000516200000000, -0.0006325900000000 ] - [ 0.0001080000000000, 0.0000000000000000, 0.0003330400000000 ] - [ -0.0000565600000000, 0.0005342600000000, 0.0003096800000000 ] - [ -0.0001807900000000, 0.0000057500000000, 0.0002242700000000 ] - [ 0.0000094900000000, 0.0000750500000000, 0.0002807000000000 ] - [ 0.0000921400000000, 0.0002636800000000, -0.0004862700000000 ] - [ -0.0002016100000000, -0.0004380700000000, 0.0004569900000000 ] - [ 0.0022524600000000, 0.0000000000000000, 0.0029077700000000 ] - [ 0.0001363300000000, 0.0000863000000000, -0.0002708500000000 ] - [ 0.0000125100000000, 0.0000011500000000, 0.0005729200000000 ] - [ -0.0000981500000000, -0.0003035200000000, 0.0000232300000000 ] - [ -0.0002016100000000, 0.0004380700000000, 0.0004569900000000 ] - [ -0.0005639500000000, 0.0003147900000000, -0.0000193900000000 ] - [ 0.0000094900000000, -0.0000750500000000, 0.0002807000000000 ] - [ -0.0018995200000000, 0.0015268900000000, 0.0004042400000000 ] - [ -0.0005639500000000, -0.0003147900000000, -0.0000193900000000 ] - [ -0.0003376400000000, 0.0005729500000000, 0.0007465000000000 ] - [ 0.0000524600000000, 0.0003187700000000, -0.0010500000000000 ] - [ -0.0000042800000000, -0.0000552700000000, 0.0012726600000000 ] - [ 0.0013396700000000, 0.0000000000000000, -0.0032736300000000 ] - [ 0.0000125100000000, -0.0000011500000000, 0.0005729200000000 ] - [ 0.0000921400000000, -0.0002636800000000, -0.0004862700000000 ] - [ -0.0000086800000000, -0.0000261200000000, 0.0001792500000000 ] - [ -0.0000584800000000, -0.0000136200000000, 0.0005544700000000 ] - [ -0.0000338900000000, 0.0001595000000000, 0.0007514500000000 ] - [ 0.0000105000000000, 0.0000000000000000, 0.0002693100000000 ] - [ -0.0003376400000000, -0.0005729500000000, 0.0007465000000000 ] - [ -0.0000631300000000, 0.0000000000000000, 0.0002956500000000 ] - [ -0.0003463500000000, 0.0006426500000000, 0.0002270400000000 ] - [ 0.0000957300000000, -0.0001121800000000, 0.0004710700000000 ] - [ -0.0001113300000000, -0.0002248200000000, 0.0002470600000000 ] - [ -0.0000086800000000, 0.0000261200000000, 0.0001792500000000 ] - [ -0.0001532400000000, 0.0001149500000000, -0.0003094600000000 ] - [ -0.0003873800000000, 0.0000000000000000, 0.0015277000000000 ] - [ 0.0001418200000000, 0.0005523900000000, -0.0004707900000000 ] - [ 0.0002239300000000, -0.0006911300000000, -0.0014604400000000 ] - [ 0.0006688800000000, -0.0001772700000000, -0.0034074900000000 ] - [ 0.0006350200000000, 0.0009259400000000, -0.0011896400000000 ] - [ 0.0001274100000000, -0.0001262400000000, 0.0003185200000000 ] - [ -0.0000565600000000, -0.0005342600000000, 0.0003096800000000 ] - [ -0.0011769600000000, 0.0001853000000000, -0.0016258700000000 ] - [ 0.0006750400000000, -0.0010928500000000, -0.0004327800000000 ] - [ 0.0006350200000000, -0.0009259400000000, -0.0011896400000000 ] - [ 0.0000347900000000, 0.0000726100000000, 0.0005511800000000 ] - [ 0.0004819400000000, -0.0000838800000000, 0.0004373900000000 ] - [ 0.0000347900000000, -0.0000726100000000, 0.0005511800000000 ] - [ -0.0000381500000000, -0.0000361500000000, 0.0009124800000000 ] - [ -0.0000858000000000, 0.0000000000000000, 0.0002363200000000 ] - [ -0.0001807900000000, -0.0000057500000000, 0.0002242700000000 ] - [ 0.0033403400000000, 0.0020687000000000, -0.0000044900000000 ] - [ -0.0000584800000000, 0.0000136200000000, 0.0005544700000000 ] - [ -0.0005484200000000, -0.0005998700000000, 0.0008341000000000 ] - [ -0.0001532400000000, -0.0001149500000000, -0.0003094600000000 ] - [ 0.0033403400000000, -0.0020687000000000, -0.0000044900000000 ] - [ -0.0001318200000000, -0.0002505900000000, -0.0005101900000000 ] - [ -0.0000888500000000, -0.0000724800000000, 0.0003674300000000 ] - [ 0.0000302100000000, 0.0000279200000000, 0.0003522000000000 ] - [ -0.0002348200000000, 0.0000000000000000, 0.0006060000000000 ] - [ 0.0001749600000000, 0.0002616300000000, -0.0005915000000000 ] - [ 0.0000302100000000, -0.0000279200000000, 0.0003522000000000 ] - [ 0.0014153100000000, 0.0000000000000000, -0.0054167900000000 ] - [ 0.0001187700000000, 0.0001951800000000, 0.0004930900000000 ] - [ -0.0001318200000000, 0.0002505900000000, -0.0005101900000000 ] - [ -0.0001435700000000, 0.0002192800000000, -0.0002026000000000 ] - [ -0.0027639900000000, 0.0000000000000000, -0.0066767300000000 ] - [ 0.0001749600000000, -0.0002616300000000, -0.0005915000000000 ] - [ 0.0005823500000000, 0.0000000000000000, 0.0006689400000000 ] - [ 0.0001187700000000, -0.0001951800000000, 0.0004930900000000 ] - [ -0.0001435700000000, -0.0002192800000000, -0.0002026000000000 ] - [ 0.0001746500000000, 0.0000000000000000, 0.0006837100000000 ] - [ -0.0001294800000000, 0.0000000000000000, 0.0008023400000000 ] - [ -0.0000888500000000, 0.0000724800000000, 0.0003674300000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002100000000, 0.0002434000000000, 0.0002304700000000 ] - [ -0.0003363700000000, 0.0002437800000000, 0.0002526400000000 ] - [ -0.0000103700000000, 0.0000171900000000, 0.0001290100000000 ] - [ 0.0002062600000000, -0.0001470300000000, 0.0000714700000000 ] - [ -0.0000655900000000, 0.0000370900000000, -0.0004616500000000 ] - [ 0.0002391300000000, -0.0005028500000000, -0.0000135800000000 ] - [ -0.0009607700000000, 0.0013947600000000, -0.0021724800000000 ] - [ -0.0001504000000000, -0.0001045500000000, -0.0006658900000000 ] - [ -0.0000566200000000, 0.0000900900000000, 0.0000754400000000 ] - [ -0.0005539200000000, 0.0006537500000000, 0.0006541900000000 ] - [ 0.0001104500000000, 0.0001446000000000, 0.0000774800000000 ] - [ -0.0000342300000000, -0.0001199600000000, 0.0000013900000000 ] - [ 0.0014558900000000, -0.0006543600000000, -0.0002732800000000 ] - [ 0.0000334200000000, -0.0001089500000000, 0.0002252900000000 ] - [ 0.0004358500000000, -0.0000309200000000, -0.0002123600000000 ] - [ -0.0001953700000000, -0.0001948700000000, 0.0002521900000000 ] - [ 0.0002614200000000, -0.0000647000000000, 0.0003653300000000 ] - [ 0.0001324500000000, 0.0000030800000000, -0.0001264200000000 ] - [ -0.0005381100000000, 0.0007408100000000, -0.0004369800000000 ] - [ 0.0005708100000000, 0.0004341700000000, -0.0002667700000000 ] - [ 0.0002275300000000, -0.0004106500000000, 0.0000250800000000 ] - [ 0.0001842700000000, -0.0002011100000000, 0.0000656700000000 ] - [ 0.0000306500000000, -0.0002378200000000, 0.0001947300000000 ] - [ -0.0000120300000000, 0.0000142500000000, 0.0000999900000000 ] - [ 0.0009203700000000, 0.0000613100000000, -0.0001494600000000 ] - [ -0.0023739000000000, -0.0002614300000000, -0.0001898100000000 ] - [ -0.0335131200000000, 0.0025145600000000, 0.0000381400000000 ] - [ -0.0001015300000000, -0.0000035100000000, 0.0002847900000000 ] - [ 0.0002241100000000, 0.0001318600000000, 0.0002262600000000 ] - [ 0.0000419100000000, 0.0000894800000000, 0.0002064300000000 ] - [ 0.0010185600000000, 0.0000838500000000, 0.0005327700000000 ] - [ -0.0000405200000000, 0.0000855400000000, -0.0002412000000000 ] - [ 0.0000093400000000, 0.0000739700000000, 0.0002342200000000 ] - [ 0.0000731900000000, -0.0000901500000000, 0.0002317100000000 ] - [ 0.0002431900000000, -0.0000307500000000, -0.0001056000000000 ] - [ -0.0002543200000000, -0.0000640100000000, 0.0000463500000000 ] - [ -0.0001027400000000, -0.0003583800000000, 0.0004941600000000 ] - [ 0.0000310700000000, 0.0002260800000000, 0.0000959100000000 ] - [ 0.0000986800000000, 0.0000706300000000, -0.0003878900000000 ] - [ -0.0000537400000000, -0.0001011400000000, 0.0000324800000000 ] - [ 0.0046279300000000, -0.0037042200000000, 0.0000886300000000 ] - [ 0.0000871900000000, 0.0000431200000000, 0.0000974800000000 ] - [ -0.0012767100000000, -0.0001271700000000, -0.0000433300000000 ] - [ 0.0008046800000000, 0.0000636500000000, -0.0007445400000000 ] - [ 0.0003974000000000, -0.0001650100000000, -0.0037370700000000 ] - [ 0.0001738800000000, -0.0001398800000000, 0.0001986300000000 ] - [ 0.0005238200000000, 0.0003059500000000, -0.0002630400000000 ] - [ 0.0001772900000000, -0.0003911000000000, 0.0001070600000000 ] - [ 0.0007167800000000, -0.0002324200000000, 0.0007075100000000 ] - [ 0.0021715700000000, -0.0018528600000000, -0.0001244100000000 ] - [ -0.0001158600000000, 0.0000474600000000, 0.0002486400000000 ] - [ -0.0001746900000000, 0.0000733000000000, 0.0001673500000000 ] - [ -0.0000416500000000, 0.0000317500000000, 0.0000865500000000 ] - [ -0.0002566100000000, 0.0002838400000000, -0.0002429700000000 ] - [ -0.0000410300000000, -0.0000481100000000, 0.0001576700000000 ] - [ -0.0014723100000000, 0.0011552700000000, 0.0018636000000000 ] - [ 0.0006499500000000, 0.0001380900000000, 0.0036183500000000 ] - [ -0.0001869800000000, -0.0000569300000000, 0.0001705100000000 ] - [ 0.0002736000000000, 0.0004099500000000, 0.0006888200000000 ] - [ 0.0000518100000000, -0.0005231900000000, -0.0002887300000000 ] - [ 0.0002244800000000, 0.0013107100000000, -0.0002562800000000 ] - [ -0.0001187700000000, -0.0003010800000000, -0.0000467700000000 ] - [ 0.0001797100000000, 0.0000157000000000, 0.0000608300000000 ] - [ -0.0000649600000000, -0.0000510000000000, 0.0001937500000000 ] - [ 0.0001003300000000, -0.0003450800000000, 0.0000562500000000 ] - [ -0.0001113800000000, 0.0005288500000000, 0.0001915000000000 ] - [ 0.0019486000000000, -0.0003855200000000, -0.0010400600000000 ] - [ 0.0110558900000000, 0.0042581800000000, 0.0024527100000000 ] - [ -0.0002166000000000, 0.0003738100000000, -0.0003651500000000 ] - [ -0.0000773500000000, -0.0000042100000000, 0.0001331000000000 ] - [ -0.0032425900000000, -0.0030340500000000, -0.0075909900000000 ] - [ 0.0000227800000000, 0.0003521000000000, -0.0002946300000000 ] - [ 0.0003750100000000, -0.0001743800000000, -0.0004001200000000 ] - [ 0.0078097400000000, 0.0113871000000000, -0.0031412600000000 ] - [ 0.0022667000000000, -0.0003969000000000, 0.0006762900000000 ] - [ -0.0005789500000000, -0.0003804600000000, 0.0001072200000000 ] - [ 0.0000493100000000, -0.0000291500000000, 0.0002849200000000 ] - [ 0.0000171700000000, 0.0000824300000000, 0.0002710800000000 ] - [ 0.0009578500000000, -0.0021717300000000, -0.0001746600000000 ] - [ 0.0000375900000000, 0.0002787800000000, -0.0004041100000000 ] - [ 0.0001250000000000, -0.0000432200000000, -0.0002853600000000 ] - [ -0.0000252100000000, 0.0000508100000000, -0.0003174500000000 ] - [ -0.0011802500000000, -0.0028500700000000, 0.0033308100000000 ] - [ 0.0000199800000000, 0.0001519500000000, 0.0005570300000000 ] - [ -0.0000657800000000, 0.0000205500000000, -0.0000636700000000 ] - [ 0.0000058000000000, -0.0000376400000000, -0.0000947100000000 ] - [ 0.0000413500000000, 0.0000124400000000, 0.0000970500000000 ] - [ 0.0025379500000000, 0.0001499000000000, 0.0006394700000000 ] - [ 0.0001815300000000, 0.0002867500000000, 0.0002257800000000 ] - [ 0.0002479800000000, -0.0000015300000000, 0.0002147900000000 ] - [ -0.0000272700000000, 0.0000090200000000, 0.0005428800000000 ] - [ 0.0004360100000000, -0.0000654400000000, -0.0002127000000000 ] - [ -0.0027763300000000, -0.0023307700000000, 0.0004725200000000 ] - [ -0.0041903500000000, -0.0019851700000000, -0.0004555700000000 ] - [ 0.0055837300000000, -0.0014013400000000, 0.0013079600000000 ] - [ 0.0000874900000000, 0.0002836000000000, -0.0014067900000000 ] - [ -0.0000689600000000, 0.0000336600000000, 0.0003145500000000 ] - [ -0.0002952900000000, 0.0002261500000000, 0.0001980600000000 ] - [ 0.0006665200000000, -0.0000064300000000, 0.0004830300000000 ] - [ -0.0006930100000000, -0.0003343200000000, -0.0004681900000000 ] - [ -0.0006630300000000, 0.0003143300000000, -0.0001941600000000 ] - [ -0.0000404100000000, -0.0000986700000000, -0.0000857300000000 ] - [ -0.0000654000000000, -0.0003630300000000, -0.0003501900000000 ] - [ -0.0002970600000000, 0.0005744400000000, -0.0003083200000000 ] - [ 0.0005290800000000, 0.0008332000000000, -0.0012269500000000 ] - [ -0.0000741600000000, 0.0002390600000000, -0.0000175600000000 ] - [ 0.0002892600000000, 0.0001296400000000, 0.0002010400000000 ] - [ -0.0003086200000000, 0.0014534300000000, 0.0015961000000000 ] - [ -0.0019045800000000, -0.0008207100000000, -0.0023235500000000 ] - [ -0.0001066600000000, 0.0010897700000000, -0.0003833300000000 ] - [ 0.0001114300000000, 0.0000712700000000, 0.0000907300000000 ] - [ 0.0000285800000000, 0.0000468800000000, -0.0000233900000000 ] - [ 0.0000057000000000, 0.0000775500000000, -0.0000100500000000 ] - [ -0.0004244400000000, 0.0000602000000000, -0.0004241900000000 ] - [ -0.0000147700000000, 0.0002848400000000, 0.0002023800000000 ] - [ 0.0000941800000000, -0.0004162200000000, 0.0007549600000000 ] - [ -0.0002433800000000, -0.0000535200000000, 0.0000737200000000 ] - [ 0.0009789900000000, 0.0011964000000000, 0.0002212000000000 ] - [ -0.0004647800000000, 0.0000074300000000, -0.0002680100000000 ] - [ 0.0000166700000000, -0.0004287000000000, -0.0005238000000000 ] - [ 0.0001947400000000, -0.0000545000000000, -0.0000660500000000 ] - [ 0.0004008200000000, 0.0003604800000000, -0.0004605200000000 ] - [ -0.0005924700000000, 0.0005620100000000, -0.0003518500000000 ] - [ -0.0001698500000000, -0.0002962200000000, 0.0002187900000000 ] - [ 0.0000638600000000, -0.0000524100000000, 0.0000239900000000 ] - [ -0.0004346900000000, 0.0012371300000000, 0.0001186800000000 ] - [ -0.0000446400000000, -0.0000955500000000, 0.0001524200000000 ] - [ -0.0016320500000000, 0.0004198200000000, -0.0011347200000000 ] - [ -0.0001469900000000, 0.0002778400000000, 0.0002333000000000 ] - [ -0.0001576900000000, 0.0000359900000000, 0.0000459300000000 ] - [ 0.0002392500000000, -0.0003206500000000, -0.0001498700000000 ] - [ 0.0002350100000000, -0.0041698600000000, -0.0004261900000000 ] - [ -0.0002489200000000, -0.0000076500000000, 0.0002655100000000 ] - [ -0.0002860000000000, 0.0005238600000000, 0.0004777900000000 ] - [ -0.0002576200000000, 0.0006017700000000, -0.0001290700000000 ] - [ 0.0000033100000000, -0.0000136300000000, 0.0005523100000000 ] - [ -0.0012758500000000, -0.0021711700000000, 0.0024544600000000 ] - [ -0.0000908800000000, 0.0001051800000000, 0.0001192600000000 ] - [ 0.0020629600000000, 0.0018816700000000, -0.0014416500000000 ] - [ 0.0002069100000000, -0.0000899300000000, -0.0003598200000000 ] - [ 0.0000922000000000, 0.0000109000000000, 0.0001552500000000 ] - [ 0.0000258700000000, -0.0000597200000000, -0.0001105100000000 ] - [ 0.0000611600000000, 0.0000095700000000, -0.0001713000000000 ] - [ -0.0002708100000000, -0.0005072000000000, 0.0004782300000000 ] - [ 0.0032734200000000, -0.0002693400000000, 0.0011374800000000 ] - [ 0.0001562000000000, -0.0002080900000000, 0.0000343700000000 ] - [ -0.0000089000000000, -0.0003090500000000, 0.0002154900000000 ] - [ 0.0003311200000000, 0.0007974700000000, 0.0019963800000000 ] - [ 0.0000158800000000, 0.0000009900000000, -0.0001176800000000 ] - [ -0.0000365400000000, -0.0000894700000000, -0.0004586000000000 ] - [ 0.0000302000000000, 0.0000123000000000, -0.0001015000000000 ] - [ 0.0000585900000000, 0.0000919000000000, -0.0003103100000000 ] - [ -0.0009472400000000, 0.0003051200000000, 0.0011697700000000 ] - [ 0.0003825700000000, -0.0009140200000000, -0.0005089200000000 ] - [ 0.0007042500000000, 0.0006847600000000, -0.0003895800000000 ] - [ -0.0001783500000000, -0.0000603200000000, 0.0000750500000000 ] - [ -0.0008004000000000, 0.0001399600000000, -0.0003613900000000 ] - [ -0.0019428100000000, 0.0003149200000000, -0.0002017200000000 ] - [ -0.0028435700000000, -0.0001836000000000, -0.0003407500000000 ] - [ -0.0002851900000000, -0.0002422200000000, -0.0002657100000000 ] - [ -0.0000759000000000, -0.0000560400000000, 0.0001382200000000 ] - [ 0.0003749500000000, -0.0001289100000000, 0.0002184000000000 ] - [ -0.0000148300000000, 0.0000358700000000, 0.0001749600000000 ] - [ -0.0000063900000000, -0.0000759000000000, 0.0002751700000000 ] - [ 0.0035346900000000, -0.0011631700000000, 0.0012083000000000 ] - [ -0.0002070600000000, 0.0000542400000000, -0.0000685200000000 ] - [ 0.0000008400000000, 0.0000563900000000, 0.0006015100000000 ] - [ -0.0000022600000000, -0.0000001200000000, 0.0001736300000000 ] - [ -0.0002773700000000, -0.0001845300000000, 0.0001998500000000 ] - [ -0.0000554100000000, 0.0001331800000000, -0.0002075400000000 ] - [ 0.0000746200000000, -0.0003422000000000, 0.0004405900000000 ] - [ 0.0052388500000000, -0.0019235900000000, -0.0015803200000000 ] - [ -0.0000608200000000, -0.0001150500000000, 0.0001042100000000 ] - [ -0.0001208000000000, 0.0003051300000000, 0.0000250300000000 ] - [ -0.0002010600000000, -0.0000369800000000, 0.0000689900000000 ] - [ 0.0004279800000000, -0.0000433900000000, 0.0005985200000000 ] - [ -0.0002181600000000, -0.0002712400000000, 0.0006833400000000 ] - [ -0.0003464100000000, 0.0000615500000000, -0.0000537500000000 ] - [ 0.0001168000000000, 0.0001590300000000, 0.0002893100000000 ] - [ 0.0000818400000000, -0.0004678400000000, -0.0000390500000000 ] - [ 0.0001822900000000, -0.0002997800000000, -0.0004381100000000 ] - [ -0.0010136100000000, 0.0003344500000000, -0.0000647100000000 ] - [ 0.0000597000000000, -0.0000080600000000, 0.0000076000000000 ] - [ -0.0008950100000000, 0.0003503900000000, -0.0002780800000000 ] - [ 0.0000902300000000, -0.0001220800000000, 0.0001803400000000 ] - [ 0.0044167100000000, -0.0009916200000000, 0.0006706600000000 ] - [ 0.0001273500000000, -0.0000094700000000, 0.0001159300000000 ] - [ -0.0000286500000000, -0.0002969000000000, -0.0006129100000000 ] - [ -0.0000667500000000, 0.0001283700000000, 0.0001106900000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000538800000000, 0.0001736800000000, 0.0001957100000000 ] - [ 0.0002213800000000, -0.0000138100000000, 0.0000903800000000 ] - [ -0.0000394600000000, 0.0000840400000000, 0.0001428700000000 ] - [ -0.0001898800000000, -0.0001290800000000, 0.0001833600000000 ] - [ -0.0001807700000000, 0.0004043100000000, 0.0000210100000000 ] - [ -0.0004573400000000, 0.0001188900000000, 0.0000061800000000 ] - [ 0.0014291600000000, -0.0013879600000000, 0.0021598600000000 ] - [ -0.0001055300000000, -0.0003406600000000, 0.0002297900000000 ] - [ -0.0000735500000000, 0.0001589600000000, 0.0000307700000000 ] - [ 0.0003162800000000, -0.0002645900000000, -0.0006640000000000 ] - [ -0.0000971400000000, 0.0001466400000000, 0.0001722900000000 ] - [ -0.0001042700000000, -0.0003154100000000, -0.0002476900000000 ] - [ -0.0016569700000000, 0.0002484200000000, -0.0003177900000000 ] - [ -0.0000031100000000, -0.0000488300000000, 0.0002741100000000 ] - [ -0.0000061200000000, -0.0000765300000000, -0.0000412300000000 ] - [ 0.0000742400000000, -0.0000146300000000, 0.0000939200000000 ] - [ -0.0000037200000000, 0.0000804800000000, -0.0000245900000000 ] - [ 0.0001112200000000, 0.0001534800000000, 0.0003756400000000 ] - [ 0.0005049000000000, -0.0004464300000000, 0.0005539500000000 ] - [ -0.0007653100000000, -0.0000017100000000, -0.0003248800000000 ] - [ 0.0002263400000000, 0.0003992600000000, -0.0000372700000000 ] - [ 0.0000845300000000, 0.0003197700000000, 0.0000528700000000 ] - [ 0.0000245200000000, -0.0001928300000000, 0.0002284100000000 ] - [ 0.0001241600000000, -0.0000071000000000, 0.0001712700000000 ] - [ -0.0006402500000000, -0.0000528500000000, 0.0007361400000000 ] - [ 0.0021242300000000, -0.0000906800000000, -0.0004027600000000 ] - [ 0.0329872600000000, -0.0021685300000000, -0.0005196300000000 ] - [ -0.0000508700000000, -0.0000496800000000, 0.0002140600000000 ] - [ 0.0001105900000000, 0.0001229300000000, 0.0001998700000000 ] - [ -0.0000254000000000, 0.0000700000000000, 0.0002890000000000 ] - [ -0.0002695400000000, -0.0000946800000000, -0.0004897700000000 ] - [ 0.0005451100000000, -0.0000788600000000, -0.0001991300000000 ] - [ 0.0001211000000000, 0.0000198800000000, 0.0002609400000000 ] - [ 0.0000588000000000, -0.0000177700000000, 0.0002628600000000 ] - [ 0.0001922100000000, 0.0001354000000000, -0.0001492400000000 ] - [ 0.0000076800000000, -0.0000592800000000, 0.0002094200000000 ] - [ -0.0002850000000000, 0.0010025100000000, -0.0004537500000000 ] - [ -0.0001592200000000, 0.0002028500000000, -0.0003502200000000 ] - [ -0.0004760200000000, -0.0007255400000000, 0.0004264300000000 ] - [ -0.0000799200000000, -0.0001307800000000, 0.0000793400000000 ] - [ -0.0041166000000000, 0.0037025900000000, -0.0006768100000000 ] - [ 0.0001470200000000, -0.0002256200000000, 0.0001530900000000 ] - [ 0.0011615700000000, -0.0000747200000000, -0.0002998500000000 ] - [ -0.0010271900000000, 0.0003323200000000, 0.0007385100000000 ] - [ -0.0004395300000000, -0.0001405100000000, 0.0038236100000000 ] - [ 0.0001637000000000, -0.0001099100000000, 0.0002251300000000 ] - [ -0.0008127000000000, 0.0000584800000000, -0.0003272600000000 ] - [ -0.0004215900000000, 0.0002140300000000, 0.0000018300000000 ] - [ -0.0009510800000000, 0.0004091900000000, -0.0005947000000000 ] - [ -0.0019499000000000, 0.0018820900000000, -0.0002095800000000 ] - [ -0.0000438800000000, 0.0000129300000000, 0.0002454700000000 ] - [ -0.0002104400000000, 0.0000933600000000, 0.0002555700000000 ] - [ -0.0002330800000000, 0.0000794000000000, 0.0001635500000000 ] - [ -0.0000502900000000, 0.0000345200000000, -0.0000112500000000 ] - [ -0.0000214700000000, -0.0000609200000000, 0.0001070700000000 ] - [ 0.0017578600000000, -0.0012652800000000, -0.0017415800000000 ] - [ -0.0008804800000000, -0.0005214400000000, -0.0036054000000000 ] - [ -0.0002134000000000, -0.0001100800000000, 0.0002519700000000 ] - [ -0.0004134900000000, -0.0006533900000000, -0.0001029800000000 ] - [ -0.0001873600000000, 0.0007693600000000, 0.0008792700000000 ] - [ 0.0002374900000000, -0.0013757100000000, -0.0003340100000000 ] - [ -0.0001901800000000, -0.0000368200000000, -0.0001992600000000 ] - [ 0.0001005900000000, -0.0000039300000000, 0.0000455900000000 ] - [ 0.0001158000000000, -0.0000391000000000, 0.0003955100000000 ] - [ -0.0001684000000000, 0.0004583300000000, 0.0001813600000000 ] - [ 0.0001221600000000, -0.0005281100000000, -0.0000269400000000 ] - [ -0.0019482100000000, 0.0003816200000000, 0.0000448900000000 ] - [ -0.0107859300000000, -0.0038587900000000, -0.0025400000000000 ] - [ 0.0002196400000000, -0.0003680700000000, -0.0006233600000000 ] - [ 0.0000781900000000, 0.0000052800000000, 0.0007627800000000 ] - [ 0.0032643200000000, 0.0030445200000000, 0.0068769700000000 ] - [ 0.0002129600000000, 0.0000561000000000, -0.0001709900000000 ] - [ -0.0008390500000000, 0.0001754100000000, -0.0000713000000000 ] - [ -0.0083146900000000, -0.0113596600000000, 0.0030529100000000 ] - [ -0.0022726700000000, 0.0003970300000000, -0.0005074000000000 ] - [ 0.0008092300000000, -0.0000217600000000, -0.0005827200000000 ] - [ -0.0001523300000000, 0.0000286600000000, 0.0003029400000000 ] - [ 0.0000385800000000, 0.0000136300000000, 0.0003229000000000 ] - [ -0.0006739500000000, 0.0016841500000000, 0.0000716800000000 ] - [ 0.0000919800000000, -0.0002810500000000, 0.0006393800000000 ] - [ -0.0001096500000000, 0.0000337900000000, -0.0003086200000000 ] - [ 0.0000102800000000, -0.0000415100000000, -0.0002767900000000 ] - [ 0.0012348300000000, 0.0028183900000000, -0.0026244900000000 ] - [ -0.0000844000000000, -0.0002688200000000, -0.0003194700000000 ] - [ 0.0000644300000000, -0.0000242000000000, -0.0001754100000000 ] - [ -0.0000082400000000, 0.0000343600000000, -0.0001449200000000 ] - [ -0.0000390500000000, -0.0000084700000000, 0.0002305900000000 ] - [ -0.0024211400000000, -0.0003390400000000, -0.0003786400000000 ] - [ 0.0002439900000000, -0.0001096200000000, 0.0003253400000000 ] - [ 0.0003773700000000, -0.0000030300000000, 0.0002078800000000 ] - [ 0.0000265900000000, -0.0000099400000000, 0.0005213200000000 ] - [ -0.0002411100000000, 0.0003373500000000, -0.0004362000000000 ] - [ 0.0029179300000000, 0.0026078300000000, -0.0005715500000000 ] - [ 0.0038878700000000, 0.0019990500000000, 0.0003589400000000 ] - [ -0.0047683500000000, 0.0017674900000000, -0.0017670300000000 ] - [ -0.0000985400000000, -0.0002761700000000, 0.0005777200000000 ] - [ 0.0001516900000000, -0.0000384100000000, 0.0001338600000000 ] - [ -0.0002055800000000, 0.0001626700000000, 0.0001751000000000 ] - [ 0.0004397300000000, 0.0000114400000000, 0.0003190500000000 ] - [ -0.0009702000000000, 0.0002807800000000, -0.0004980700000000 ] - [ 0.0008653400000000, -0.0005903300000000, -0.0004573900000000 ] - [ -0.0000519300000000, -0.0000613000000000, -0.0001117000000000 ] - [ -0.0002786500000000, 0.0003982700000000, -0.0003017700000000 ] - [ 0.0011666900000000, 0.0008347100000000, -0.0006570100000000 ] - [ -0.0007790100000000, -0.0008333100000000, 0.0014948000000000 ] - [ 0.0003441600000000, 0.0002049300000000, -0.0002283600000000 ] - [ 0.0002736800000000, 0.0001111100000000, 0.0001726700000000 ] - [ 0.0001798200000000, -0.0012336400000000, -0.0015777000000000 ] - [ 0.0017743900000000, 0.0006003600000000, 0.0019546500000000 ] - [ 0.0001027600000000, -0.0007840500000000, -0.0001158800000000 ] - [ -0.0001562800000000, -0.0000016100000000, 0.0003589500000000 ] - [ 0.0002002100000000, -0.0004346400000000, -0.0003103500000000 ] - [ -0.0000993800000000, 0.0000703200000000, -0.0001874500000000 ] - [ 0.0004264000000000, -0.0000568100000000, 0.0003912300000000 ] - [ -0.0000579900000000, 0.0003225600000000, 0.0001712300000000 ] - [ -0.0000986700000000, 0.0004103900000000, 0.0008720200000000 ] - [ -0.0002052900000000, 0.0000573300000000, -0.0004057500000000 ] - [ -0.0008691200000000, -0.0009868900000000, 0.0000302400000000 ] - [ 0.0002517700000000, -0.0000163900000000, -0.0000666900000000 ] - [ 0.0001186900000000, 0.0001219700000000, -0.0001244500000000 ] - [ -0.0007163400000000, 0.0000613700000000, -0.0001778900000000 ] - [ -0.0001499300000000, 0.0000959900000000, 0.0002154800000000 ] - [ 0.0003332700000000, -0.0003968500000000, -0.0001496500000000 ] - [ -0.0001443600000000, -0.0002480200000000, 0.0002057600000000 ] - [ 0.0000675200000000, 0.0000584900000000, -0.0005334400000000 ] - [ 0.0005966700000000, -0.0014987900000000, -0.0002122800000000 ] - [ -0.0000334900000000, -0.0000512100000000, 0.0001633300000000 ] - [ 0.0013001900000000, -0.0004517800000000, 0.0004835200000000 ] - [ -0.0001696900000000, 0.0002615100000000, 0.0001893800000000 ] - [ -0.0002155300000000, 0.0002404600000000, 0.0005058600000000 ] - [ 0.0000180800000000, -0.0001564600000000, -0.0000978400000000 ] - [ 0.0000386500000000, 0.0040037200000000, -0.0000765400000000 ] - [ -0.0001037100000000, -0.0002632200000000, 0.0002835100000000 ] - [ -0.0002628400000000, 0.0004368000000000, 0.0003244000000000 ] - [ 0.0001274700000000, -0.0003622000000000, -0.0002382800000000 ] - [ -0.0000036400000000, 0.0000122700000000, 0.0005121300000000 ] - [ 0.0015397900000000, 0.0021655300000000, -0.0028110000000000 ] - [ 0.0000044700000000, 0.0000500500000000, 0.0001925600000000 ] - [ -0.0025979100000000, -0.0022744900000000, 0.0009639200000000 ] - [ -0.0001072100000000, -0.0000987600000000, 0.0000264700000000 ] - [ 0.0000856800000000, -0.0000085500000000, 0.0001567300000000 ] - [ -0.0000251800000000, 0.0000617400000000, 0.0000805500000000 ] - [ -0.0000592800000000, -0.0000062900000000, -0.0007002800000000 ] - [ -0.0002802200000000, -0.0004474300000000, 0.0003240400000000 ] - [ -0.0030258000000000, 0.0002729100000000, -0.0011269000000000 ] - [ 0.0002680900000000, 0.0000252200000000, 0.0005188600000000 ] - [ -0.0000646000000000, -0.0003105500000000, 0.0001577400000000 ] - [ -0.0004631000000000, -0.0010211400000000, -0.0019916800000000 ] - [ 0.0000861300000000, 0.0001759900000000, -0.0002165400000000 ] - [ -0.0000240800000000, -0.0000146600000000, -0.0000510600000000 ] - [ 0.0001447800000000, -0.0000197400000000, -0.0000956000000000 ] - [ 0.0001662200000000, 0.0002986800000000, -0.0000234400000000 ] - [ 0.0009440100000000, -0.0003075000000000, 0.0004612700000000 ] - [ 0.0004824900000000, -0.0005038500000000, -0.0004577900000000 ] - [ 0.0000785200000000, 0.0007680500000000, -0.0005779100000000 ] - [ 0.0004456000000000, -0.0003895400000000, -0.0003214600000000 ] - [ 0.0009417400000000, 0.0001710300000000, -0.0002911700000000 ] - [ 0.0002861300000000, -0.0002709700000000, -0.0007625800000000 ] - [ 0.0028494900000000, -0.0000993200000000, -0.0001565900000000 ] - [ 0.0010699600000000, -0.0012203400000000, -0.0006985600000000 ] - [ -0.0000113100000000, -0.0000843200000000, 0.0001776500000000 ] - [ 0.0002124400000000, -0.0001103700000000, 0.0001547700000000 ] - [ -0.0000683100000000, 0.0000987200000000, 0.0001425500000000 ] - [ -0.0000378400000000, -0.0000009800000000, 0.0001743300000000 ] - [ -0.0035743000000000, 0.0012434400000000, -0.0012261300000000 ] - [ -0.0003343200000000, -0.0000699500000000, -0.0001790600000000 ] - [ -0.0000587900000000, 0.0004009900000000, -0.0000496700000000 ] - [ 0.0001603600000000, -0.0000043900000000, 0.0001437500000000 ] - [ -0.0002221500000000, -0.0001893800000000, 0.0001735500000000 ] - [ -0.0000045800000000, -0.0000168900000000, -0.0003024400000000 ] - [ -0.0001322100000000, -0.0000988400000000, 0.0001088100000000 ] - [ -0.0051556100000000, 0.0017393700000000, 0.0014590400000000 ] - [ -0.0000553100000000, -0.0000861000000000, 0.0000957000000000 ] - [ 0.0001180200000000, -0.0003226100000000, 0.0001324800000000 ] - [ -0.0002560400000000, 0.0000428400000000, 0.0002675400000000 ] - [ -0.0003984800000000, -0.0000063100000000, -0.0005719300000000 ] - [ 0.0002143900000000, 0.0002669700000000, -0.0005296900000000 ] - [ 0.0002903300000000, -0.0000630600000000, 0.0000859400000000 ] - [ 0.0001160000000000, 0.0002447700000000, 0.0000457900000000 ] - [ -0.0000372600000000, 0.0005430400000000, -0.0000146600000000 ] - [ -0.0001633400000000, 0.0003305600000000, -0.0002659200000000 ] - [ 0.0009177800000000, -0.0003432200000000, 0.0000177100000000 ] - [ -0.0000324200000000, 0.0000551900000000, 0.0000215400000000 ] - [ 0.0008808500000000, -0.0003458000000000, -0.0004321900000000 ] - [ 0.0001436800000000, -0.0002714100000000, 0.0001565300000000 ] - [ -0.0043840700000000, 0.0009347200000000, -0.0013255600000000 ] - [ 0.0001118700000000, 0.0000120200000000, 0.0000828000000000 ] - [ 0.0000155000000000, 0.0002845200000000, 0.0007675800000000 ] - [ -0.0000503300000000, 0.0000800300000000, 0.0000870900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000043900000000, 0.0002726200000000, 0.0005738100000000 ] - [ -0.0001926600000000, 0.0003337000000000, 0.0012494100000000 ] - [ -0.0000106500000000, 0.0000184500000000, 0.0005487500000000 ] - [ 0.0000601100000000, -0.0001202800000000, 0.0002867900000000 ] - [ -0.0002526100000000, 0.0004375400000000, 0.0002727500000000 ] - [ -0.0004965500000000, -0.0000077900000000, -0.0002753300000000 ] - [ -0.0021884600000000, -0.0029783600000000, 0.0026590800000000 ] - [ -0.0004350700000000, -0.0003442700000000, 0.0005684700000000 ] - [ -0.0000211300000000, 0.0000366000000000, 0.0004791900000000 ] - [ 0.0003988500000000, 0.0007820200000000, -0.0002499400000000 ] - [ 0.0000513700000000, 0.0001173100000000, 0.0002810300000000 ] - [ 0.0000103400000000, -0.0001414600000000, 0.0001013700000000 ] - [ -0.0001067300000000, -0.0002298000000000, -0.0008883600000000 ] - [ -0.0000076500000000, -0.0000544600000000, 0.0006034800000000 ] - [ 0.0001173400000000, -0.0000796900000000, 0.0001013700000000 ] - [ -0.0002657500000000, -0.0005240500000000, 0.0007338000000000 ] - [ 0.0005867100000000, -0.0000318800000000, 0.0007338000000000 ] - [ -0.0001544400000000, 0.0001770400000000, 0.0005214200000000 ] - [ -0.0006349000000000, -0.0003176200000000, -0.0001172000000000 ] - [ -0.0001062100000000, 0.0002425500000000, -0.0008750000000000 ] - [ 0.0002550200000000, 0.0004261300000000, -0.0002753300000000 ] - [ 0.0002242300000000, -0.0005147000000000, -0.0001510400000000 ] - [ -0.0000044300000000, -0.0002543800000000, 0.0005547400000000 ] - [ 0.0000377100000000, -0.0000075000000000, 0.0005747000000000 ] - [ 0.0001495800000000, -0.0000255500000000, 0.0000699000000000 ] - [ -0.0001215300000000, -0.0006066900000000, -0.0029459600000000 ] - [ 0.0001676300000000, -0.0002903500000000, -0.0368530000000000 ] - [ 0.0000028500000000, 0.0000221400000000, 0.0007133500000000 ] - [ 0.0002347200000000, 0.0001340200000000, 0.0005643400000000 ] - [ -0.0000263900000000, 0.0000590700000000, 0.0006220800000000 ] - [ 0.0004636300000000, 0.0000310400000000, -0.0002326800000000 ] - [ 0.0005156800000000, 0.0002046500000000, 0.0005684700000000 ] - [ -0.0000206000000000, 0.0000086000000000, 0.0007133500000000 ] - [ 0.0000509900000000, -0.0000206000000000, 0.0006034800000000 ] - [ 0.0001847900000000, -0.0000678200000000, 0.0000989700000000 ] - [ -0.0000761000000000, 0.0002222600000000, 0.0005214200000000 ] - [ 0.0004257900000000, -0.0007375000000000, 0.0001710800000000 ] - [ 0.0001588600000000, 0.0002206900000000, 0.0001670200000000 ] - [ -0.0002587000000000, -0.0003859900000000, -0.0002326800000000 ] - [ -0.0000743500000000, -0.0001112600000000, 0.0004104400000000 ] - [ 0.0005861800000000, -0.0001981000000000, -0.0029459600000000 ] - [ 0.0000741100000000, -0.0001122000000000, 0.0002867900000000 ] - [ 0.0000671400000000, 0.0000170700000000, -0.0019179700000000 ] - [ -0.0008766700000000, 0.0000456000000000, -0.0002499400000000 ] - [ -0.0037186200000000, -0.0002537900000000, 0.0031198700000000 ] - [ 0.0002225100000000, -0.0001233500000000, 0.0005547400000000 ] - [ -0.0001569500000000, 0.0002132500000000, -0.0008750000000000 ] - [ 0.0003336200000000, -0.0004515400000000, -0.0001510400000000 ] - [ 0.0005925200000000, 0.0003910300000000, -0.0001172000000000 ] - [ -0.0000483500000000, -0.0000496100000000, -0.0019179700000000 ] - [ -0.0000379600000000, 0.0000523900000000, 0.0006220800000000 ] - [ -0.0002382900000000, 0.0001325000000000, 0.0005738100000000 ] - [ -0.0001272800000000, 0.0000141700000000, 0.0002810300000000 ] - [ -0.0002705600000000, -0.0000272300000000, 0.0001670200000000 ] - [ -0.0000123600000000, -0.0000364100000000, 0.0005747000000000 ] - [ 0.0020791000000000, 0.0030935300000000, 0.0031198700000000 ] - [ 0.0036735600000000, 0.0004060800000000, 0.0026590800000000 ] - [ -0.0002334300000000, -0.0001362600000000, 0.0005643400000000 ] - [ -0.0000526600000000, -0.0001423200000000, 0.0000699000000000 ] - [ -0.0005856800000000, 0.0010144300000000, 0.0005399900000000 ] - [ 0.0002523800000000, -0.0000224700000000, -0.0008883600000000 ] - [ -0.0000336600000000, -0.0001939500000000, 0.0000989700000000 ] - [ 0.0001335300000000, 0.0000087500000000, 0.0004104400000000 ] - [ -0.0000037900000000, 0.0000065700000000, 0.0015853400000000 ] - [ 0.0000190600000000, -0.0000330100000000, 0.0009373900000000 ] - [ -0.0005147200000000, -0.0011034700000000, 0.0000702800000000 ] - [ -0.0011521600000000, 0.0000482100000000, -0.0018643300000000 ] - [ -0.0003169100000000, 0.0006042800000000, -0.0036909200000000 ] - [ 0.0005343300000000, 0.0010219000000000, -0.0018643300000000 ] - [ -0.0000372900000000, 0.0000645900000000, 0.0020015400000000 ] - [ -0.0041142900000000, 0.0071261600000000, 0.0037190500000000 ] - [ 0.0001370600000000, 0.0005435100000000, 0.0006163700000000 ] - [ -0.0005392200000000, 0.0001530500000000, 0.0006163700000000 ] - [ -0.0003648600000000, 0.0005765900000000, -0.0036909200000000 ] - [ 0.0012130000000000, -0.0001059700000000, 0.0000702800000000 ] - [ 0.0005262700000000, -0.0009115300000000, 0.0016149100000000 ] - [ -0.0000140300000000, -0.0000107100000000, 0.0012675200000000 ] - [ 0.0000162900000000, 0.0000068000000000, 0.0012675200000000 ] - [ 0.0000601300000000, -0.0001041500000000, -0.0021040200000000 ] - [ -0.0007649900000000, -0.0005789400000000, 0.0011150700000000 ] - [ 0.0000753600000000, -0.0000202900000000, 0.0007299000000000 ] - [ -0.0000201100000000, -0.0000754100000000, 0.0007299000000000 ] - [ 0.0063878100000000, -0.0110640100000000, 0.0056457100000000 ] - [ 0.0008838700000000, 0.0003730300000000, 0.0011150700000000 ] - [ 0.0000294100000000, -0.0000123300000000, -0.0003481900000000 ] - [ -0.0000040300000000, -0.0000316400000000, -0.0003481900000000 ] - [ -0.0000146200000000, 0.0000253200000000, -0.0003583100000000 ] - [ -0.0006303600000000, 0.0010918200000000, 0.0067267800000000 ] - [ 0.0001322300000000, 0.0002775700000000, 0.0000094700000000 ] - [ 0.0001971300000000, -0.0000002000000000, -0.0001344800000000 ] - [ -0.0000080100000000, 0.0000031200000000, -0.0001475100000000 ] - [ 0.0004983300000000, 0.0011554500000000, -0.0003549600000000 ] - [ 0.0002685400000000, -0.0000244400000000, 0.0006661200000000 ] - [ -0.0001131100000000, -0.0002447800000000, 0.0006661200000000 ] - [ 0.0006002500000000, -0.0000941300000000, 0.0028517300000000 ] - [ -0.0011389800000000, 0.0019727600000000, -0.0036638600000000 ] - [ 0.0000809000000000, -0.0000294300000000, -0.0003603800000000 ] - [ -0.0002188900000000, 0.0000997600000000, -0.0001668800000000 ] - [ 0.0003807600000000, -0.0000231600000000, -0.0001029900000000 ] - [ -0.0009482700000000, -0.0001698200000000, -0.0002078100000000 ] - [ -0.0002800200000000, 0.0001378400000000, -0.0000869400000000 ] - [ -0.0000279300000000, -0.0000378700000000, -0.0007403400000000 ] - [ 0.0001627100000000, 0.0002149100000000, -0.0001000700000000 ] - [ 0.0006212000000000, 0.0007363200000000, -0.0002078100000000 ] - [ -0.0034702500000000, 0.0020401400000000, 0.0003882900000000 ] - [ 0.0003343700000000, 0.0002719000000000, -0.0004048300000000 ] - [ 0.0001795100000000, 0.0001435500000000, -0.0001634300000000 ] - [ 0.0011223200000000, -0.0019439100000000, -0.0005892800000000 ] - [ -0.0003338700000000, -0.0005995600000000, 0.0022714200000000 ] - [ -0.0000469100000000, -0.0000968800000000, 0.0005004200000000 ] - [ -0.0000774000000000, 0.0001340700000000, -0.0008463900000000 ] - [ 0.0001908600000000, -0.0003305700000000, -0.0004123700000000 ] - [ -0.0000111900000000, 0.0000193900000000, -0.0009929600000000 ] - [ -0.0002566100000000, 0.0000269500000000, -0.0001182700000000 ] - [ 0.0000230500000000, 0.0002394500000000, -0.0001668800000000 ] - [ -0.0001048900000000, -0.0001840500000000, 0.0017795800000000 ] - [ 0.0000814800000000, 0.0001002300000000, -0.0002816200000000 ] - [ -0.0000316900000000, 0.0040254000000000, 0.0003882900000000 ] - [ -0.0000661000000000, -0.0000343000000000, -0.0003499600000000 ] - [ 0.0000206400000000, 0.0003114300000000, -0.0000869400000000 ] - [ -0.0005652100000000, 0.0002810000000000, -0.0009913400000000 ] - [ 0.0000392500000000, 0.0006299900000000, -0.0009913400000000 ] - [ 0.0001073600000000, -0.0000078100000000, 0.0005004200000000 ] - [ -0.0000984000000000, -0.0001708200000000, -0.0001344800000000 ] - [ 0.0002085500000000, 0.0001131200000000, -0.0009662200000000 ] - [ -0.0000133200000000, 0.0000230800000000, 0.0010184200000000 ] - [ -0.0000923900000000, -0.0001532300000000, -0.0001757100000000 ] - [ -0.0012498200000000, 0.0001461600000000, -0.0003549600000000 ] - [ -0.0000681500000000, 0.0001180400000000, -0.0002240500000000 ] - [ -0.0008604700000000, -0.0001503900000000, -0.0003547700000000 ] - [ 0.0001297600000000, -0.0005789400000000, -0.0004789100000000 ] - [ -0.0002228100000000, -0.0001084200000000, 0.0008746700000000 ] - [ -0.0003065000000000, 0.0000242700000000, 0.0000094700000000 ] - [ -0.0001582300000000, 0.0002740700000000, -0.0001020400000000 ] - [ -0.0000903900000000, 0.0001565600000000, 0.0011429200000000 ] - [ 0.0000013100000000, 0.0000085000000000, -0.0001475100000000 ] - [ 0.0006861700000000, -0.0000106400000000, 0.0022714200000000 ] - [ -0.0001545900000000, 0.0001963100000000, -0.0002111200000000 ] - [ -0.0002186000000000, -0.0005669000000000, 0.0028517300000000 ] - [ -0.0001137100000000, 0.0001969500000000, -0.0006062700000000 ] - [ 0.0002245600000000, 0.0000398600000000, -0.0001992300000000 ] - [ 0.0001049600000000, 0.0002357100000000, -0.0001182700000000 ] - [ 0.0000402300000000, -0.0000696800000000, -0.0015571500000000 ] - [ -0.0001703200000000, -0.0003413200000000, -0.0001029900000000 ] - [ 0.0007851900000000, -0.0019056800000000, -0.0013066400000000 ] - [ -0.0000421800000000, -0.0003087300000000, -0.0000350800000000 ] - [ 0.0000494100000000, -0.0002045400000000, -0.0002595700000000 ] - [ 0.0012577700000000, -0.0016328300000000, -0.0013066400000000 ] - [ 0.0000627600000000, 0.0000401000000000, -0.0003499600000000 ] - [ -0.0002022300000000, -0.0001240500000000, -0.0009662200000000 ] - [ 0.0000467600000000, 0.0000052500000000, -0.0007403400000000 ] - [ -0.0001275400000000, -0.0000204500000000, -0.0002816200000000 ] - [ 0.0002118300000000, -0.0000011800000000, 0.0017795800000000 ] - [ 0.0003692400000000, -0.0009436500000000, -0.0002147400000000 ] - [ -0.0000351600000000, -0.0002811600000000, -0.0002525600000000 ] - [ 0.0004365000000000, -0.0004018500000000, -0.0004789100000000 ] - [ -0.0002674700000000, -0.0000334600000000, -0.0001000700000000 ] - [ 0.0002610800000000, -0.0001101300000000, -0.0002525600000000 ] - [ 0.0002053000000000, 0.0001387500000000, 0.0008746700000000 ] - [ 0.0006326100000000, -0.0007916000000000, -0.0002147400000000 ] - [ -0.0001468000000000, -0.0001745400000000, -0.0001992300000000 ] - [ 0.0001524300000000, -0.0001450600000000, -0.0002595700000000 ] - [ -0.0000927200000000, 0.0002320300000000, -0.0002111200000000 ] - [ -0.0000149600000000, -0.0000847700000000, -0.0003603800000000 ] - [ -0.0002935800000000, 0.0005084900000000, 0.0028239800000000 ] - [ -0.0004026600000000, -0.0001536200000000, -0.0004048300000000 ] - [ 0.0005604800000000, 0.0006699900000000, -0.0003547700000000 ] - [ 0.0001788900000000, 0.0000034000000000, -0.0001757100000000 ] - [ -0.0002140700000000, -0.0000836800000000, -0.0001634300000000 ] - [ -0.0000379800000000, 0.0000657800000000, -0.0008453200000000 ] - [ 0.0002884600000000, -0.0001178400000000, -0.0000350800000000 ] - [ -0.0014200900000000, 0.0024596700000000, 0.0062226300000000 ] - [ -0.0000494900000000, -0.0000925400000000, -0.0002822800000000 ] - [ 0.0000227600000000, -0.0000394100000000, 0.0000815800000000 ] - [ -0.0003427300000000, -0.0000660400000000, -0.0001943100000000 ] - [ 0.0004089700000000, -0.0007083500000000, -0.0011408300000000 ] - [ 0.0005182200000000, 0.0003388400000000, -0.0000639700000000 ] - [ -0.0003439400000000, 0.0000179000000000, -0.0000849900000000 ] - [ 0.0002285600000000, 0.0002637900000000, -0.0001943100000000 ] - [ 0.0001708200000000, 0.0002913100000000, 0.0005443600000000 ] - [ -0.0001085800000000, -0.0002839200000000, 0.0001416800000000 ] - [ -0.0003376900000000, -0.0000022800000000, 0.0005443600000000 ] - [ 0.0001564700000000, 0.0003068100000000, -0.0000849900000000 ] - [ 0.0003001700000000, -0.0000479200000000, 0.0001416800000000 ] - [ 0.0001152900000000, -0.0001996800000000, -0.0001291500000000 ] - [ 0.0009853200000000, -0.0017066200000000, 0.0064977100000000 ] - [ 0.0001048900000000, -0.0000034100000000, -0.0002822800000000 ] - [ -0.0005525600000000, -0.0002793700000000, -0.0000639700000000 ] - [ -0.0000561900000000, 0.0000973300000000, -0.0002595900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000438600000000, 0.0001481200000000, -0.0001443700000000 ] - [ 0.0000651700000000, -0.0001128800000000, -0.0009130300000000 ] - [ -0.0000493200000000, 0.0000854200000000, -0.0002650700000000 ] - [ -0.0000316300000000, -0.0001663400000000, -0.0000371700000000 ] - [ -0.0000023800000000, 0.0000041200000000, -0.0007165200000000 ] - [ 0.0002744000000000, -0.0003823400000000, 0.0002647400000000 ] - [ 0.0026157200000000, 0.0029456500000000, -0.0026484100000000 ] - [ 0.0001736000000000, -0.0000992600000000, -0.0010078100000000 ] - [ -0.0001160900000000, 0.0002010800000000, -0.0003593500000000 ] - [ -0.0006279500000000, -0.0003895200000000, 0.0002352700000000 ] - [ -0.0000241400000000, 0.0001765800000000, -0.0000341800000000 ] - [ -0.0001402500000000, -0.0002885200000000, -0.0003568200000000 ] - [ -0.0000800500000000, -0.0001898800000000, 0.0003021200000000 ] - [ 0.0000367900000000, -0.0001068000000000, -0.0000987900000000 ] - [ 0.0003199900000000, -0.0000227900000000, -0.0003568200000000 ] - [ 0.0001353900000000, 0.0003144900000000, -0.0003918500000000 ] - [ -0.0003400500000000, 0.0000399900000000, -0.0003918500000000 ] - [ 0.0003952200000000, -0.0000227000000000, -0.0002731400000000 ] - [ 0.0006057000000000, 0.0006115000000000, 0.0002305300000000 ] - [ -0.0000793500000000, 0.0001879100000000, 0.0002886900000000 ] - [ 0.0001939200000000, -0.0004288100000000, 0.0002647400000000 ] - [ 0.0000492600000000, 0.0006400000000000, 0.0002593400000000 ] - [ 0.0000539000000000, -0.0001736500000000, -0.0001262300000000 ] - [ 0.0000885200000000, 0.0000112600000000, -0.0002951300000000 ] - [ 0.0001293300000000, 0.0000294400000000, 0.0005143400000000 ] - [ -0.0001422600000000, 0.0002486900000000, 0.0023558000000000 ] - [ -0.0003790800000000, 0.0006565900000000, 0.0368880300000000 ] - [ -0.0001502000000000, -0.0000799100000000, -0.0002076200000000 ] - [ 0.0001093200000000, 0.0001249800000000, -0.0001352800000000 ] - [ 0.0000485000000000, 0.0001028700000000, -0.0001190500000000 ] - [ 0.0002878500000000, -0.0000370400000000, 0.0002692800000000 ] - [ -0.0000008400000000, -0.0001999700000000, -0.0010078100000000 ] - [ 0.0001443100000000, 0.0000901200000000, -0.0002076200000000 ] - [ 0.0000740900000000, -0.0000852600000000, -0.0000987900000000 ] - [ 0.0002560500000000, 0.0001687000000000, -0.0003549400000000 ] - [ -0.0001779500000000, -0.0003536200000000, -0.0002731400000000 ] - [ -0.0007999800000000, 0.0013856000000000, -0.0001321500000000 ] - [ -0.0002824300000000, 0.0002061800000000, -0.0004265800000000 ] - [ -0.0001118500000000, -0.0002678000000000, 0.0002692800000000 ] - [ -0.0000652500000000, -0.0001186300000000, -0.0002882800000000 ] - [ -0.0001442400000000, 0.0002475500000000, 0.0023558000000000 ] - [ 0.0001598700000000, -0.0000557800000000, -0.0000371700000000 ] - [ -0.0001827500000000, -0.0002183400000000, 0.0015851800000000 ] - [ 0.0006513100000000, 0.0003490600000000, 0.0002352700000000 ] - [ 0.0037261700000000, -0.0000447300000000, -0.0030408800000000 ] - [ 0.0001234400000000, -0.0001335100000000, -0.0001262300000000 ] - [ -0.0001230600000000, 0.0001626700000000, 0.0002886900000000 ] - [ -0.0005788900000000, 0.0002773400000000, 0.0002593400000000 ] - [ -0.0008324300000000, -0.0002188000000000, 0.0002305300000000 ] - [ 0.0002804700000000, 0.0000491000000000, 0.0015851800000000 ] - [ -0.0001133300000000, 0.0000094400000000, -0.0001190500000000 ] - [ -0.0001502100000000, 0.0000360800000000, -0.0001443700000000 ] - [ -0.0001408500000000, 0.0001092000000000, -0.0000341800000000 ] - [ -0.0000373400000000, 0.0003476800000000, -0.0004265800000000 ] - [ -0.0000540100000000, -0.0000710300000000, -0.0002951300000000 ] - [ -0.0018243500000000, -0.0032493300000000, -0.0030408800000000 ] - [ -0.0038588700000000, -0.0007924600000000, -0.0026484100000000 ] - [ -0.0001628900000000, -0.0000321800000000, -0.0001352800000000 ] - [ -0.0000901700000000, -0.0000972800000000, 0.0005143400000000 ] - [ 0.0004466400000000, -0.0007736000000000, 0.0000462900000000 ] - [ 0.0002044700000000, -0.0000256100000000, 0.0003021200000000 ] - [ -0.0002741200000000, -0.0001374000000000, -0.0003549400000000 ] - [ 0.0001353600000000, -0.0000028100000000, -0.0002882800000000 ] - [ 0.0000556400000000, -0.0000963700000000, -0.0009961900000000 ] - [ -0.0000852800000000, 0.0001477000000000, -0.0007000800000000 ] - [ 0.0005179300000000, 0.0011057500000000, 0.0000885900000000 ] - [ 0.0011538900000000, -0.0000474500000000, 0.0008839300000000 ] - [ 0.0006440500000000, -0.0001096900000000, 0.0036209100000000 ] - [ -0.0005358500000000, -0.0010230200000000, 0.0008839300000000 ] - [ 0.0000368000000000, -0.0000637400000000, -0.0011016000000000 ] - [ 0.0040608000000000, -0.0070335100000000, -0.0044562600000000 ] - [ 0.0000972300000000, -0.0001354800000000, -0.0010880400000000 ] - [ 0.0000687100000000, -0.0001519400000000, -0.0010880400000000 ] - [ -0.0002270300000000, -0.0006126100000000, 0.0036209100000000 ] - [ -0.0012165800000000, 0.0001043300000000, 0.0000885900000000 ] - [ -0.0002907400000000, 0.0005035800000000, -0.0020875700000000 ] - [ -0.0000934600000000, 0.0000102500000000, -0.0006752200000000 ] - [ 0.0000378600000000, 0.0000860600000000, -0.0006752200000000 ] - [ 0.0002201700000000, -0.0003813400000000, 0.0020076100000000 ] - [ 0.0009025400000000, 0.0005818500000000, -0.0008779400000000 ] - [ -0.0000673500000000, 0.0000243100000000, -0.0013264400000000 ] - [ 0.0000126200000000, 0.0000704800000000, -0.0013264400000000 ] - [ -0.0063999700000000, 0.0110850800000000, -0.0049929800000000 ] - [ -0.0009551700000000, -0.0004907000000000, -0.0008779400000000 ] - [ -0.0000283800000000, 0.0000107800000000, 0.0001090800000000 ] - [ 0.0000048500000000, 0.0000299700000000, 0.0001090800000000 ] - [ 0.0000135700000000, -0.0000235100000000, 0.0006863000000000 ] - [ 0.0006146400000000, -0.0010645800000000, -0.0070399600000000 ] - [ 0.0002884800000000, -0.0000996700000000, 0.0005341100000000 ] - [ 0.0004322900000000, -0.0000020500000000, 0.0005632400000000 ] - [ 0.0000082000000000, -0.0000037100000000, 0.0012193400000000 ] - [ -0.0003027500000000, -0.0008844800000000, -0.0002901000000000 ] - [ -0.0001332100000000, 0.0002842800000000, -0.0007582000000000 ] - [ -0.0001795900000000, 0.0002575000000000, -0.0007582000000000 ] - [ -0.0003557000000000, 0.0002401600000000, -0.0033614700000000 ] - [ 0.0011358500000000, -0.0019673400000000, 0.0028305300000000 ] - [ 0.0000054300000000, 0.0000269500000000, 0.0008180500000000 ] - [ -0.0002778100000000, 0.0002809100000000, 0.0005455200000000 ] - [ 0.0007286400000000, 0.0000255500000000, 0.0009103700000000 ] - [ -0.0007139900000000, 0.0001194200000000, -0.0007670500000000 ] - [ 0.0004776300000000, -0.0004093000000000, -0.0005594800000000 ] - [ -0.0000590600000000, -0.0001200600000000, 0.0005370200000000 ] - [ -0.0004993700000000, -0.0001801600000000, -0.0005469400000000 ] - [ 0.0002535800000000, 0.0006780400000000, -0.0007670500000000 ] - [ 0.0032511400000000, -0.0020505100000000, -0.0001348300000000 ] - [ -0.0000560800000000, 0.0001815700000000, 0.0001562400000000 ] - [ 0.0003924200000000, 0.0000996600000000, 0.0005422800000000 ] - [ -0.0012441000000000, 0.0021548400000000, 0.0006166800000000 ] - [ 0.0001941000000000, 0.0003688300000000, -0.0026663100000000 ] - [ 0.0000369800000000, 0.0004006600000000, -0.0009974400000000 ] - [ 0.0000354800000000, -0.0000614600000000, 0.0013017100000000 ] - [ 0.0000370400000000, -0.0000641500000000, 0.0000711100000000 ] - [ -0.0000765400000000, 0.0001325700000000, 0.0007914100000000 ] - [ 0.0002559600000000, -0.0000253600000000, 0.0000922400000000 ] - [ -0.0001043700000000, 0.0003810400000000, 0.0005455200000000 ] - [ 0.0001062800000000, 0.0001809400000000, -0.0001483200000000 ] - [ -0.0005405400000000, -0.0000988400000000, -0.0000607000000000 ] - [ 0.0001502200000000, -0.0038408300000000, -0.0001348300000000 ] - [ -0.0001437800000000, 0.0000297700000000, 0.0000140000000000 ] - [ 0.0001156500000000, -0.0006182900000000, -0.0005594800000000 ] - [ 0.0000406900000000, -0.0002698600000000, 0.0007406700000000 ] - [ 0.0002133600000000, -0.0001701700000000, 0.0007406700000000 ] - [ -0.0003654700000000, 0.0001683000000000, -0.0009974400000000 ] - [ -0.0002143700000000, -0.0003754000000000, 0.0005632400000000 ] - [ -0.0000831700000000, -0.0001107900000000, 0.0004630600000000 ] - [ 0.0001672000000000, -0.0002896100000000, -0.0011092700000000 ] - [ 0.0000138900000000, 0.0000071800000000, 0.0004934500000000 ] - [ 0.0009173600000000, -0.0001800500000000, -0.0002901000000000 ] - [ -0.0002462800000000, 0.0004265600000000, 0.0006521000000000 ] - [ 0.0004902400000000, 0.0004293900000000, 0.0009022300000000 ] - [ 0.0001269700000000, 0.0001098200000000, 0.0002296800000000 ] - [ 0.0004931600000000, -0.0000212700000000, -0.0013721400000000 ] - [ -0.0000579200000000, -0.0002996700000000, 0.0005341100000000 ] - [ -0.0003972800000000, 0.0006881000000000, 0.0009095800000000 ] - [ -0.0000458700000000, 0.0000794500000000, -0.0015218900000000 ] - [ -0.0000008900000000, -0.0000089600000000, 0.0012193400000000 ] - [ -0.0004164600000000, 0.0000163200000000, -0.0026663100000000 ] - [ 0.0000715800000000, -0.0000456400000000, 0.0005267700000000 ] - [ -0.0000301300000000, 0.0004281300000000, -0.0033614700000000 ] - [ 0.0002198200000000, -0.0003807400000000, 0.0002703800000000 ] - [ -0.0000488700000000, -0.0000357500000000, 0.0005141800000000 ] - [ -0.0001060200000000, -0.0002343500000000, 0.0000922400000000 ] - [ -0.0000409000000000, 0.0000708400000000, 0.0006722100000000 ] - [ -0.0003864500000000, -0.0006182500000000, 0.0009103700000000 ] - [ -0.0005183200000000, 0.0018808900000000, 0.0013145800000000 ] - [ 0.0004635700000000, 0.0001282100000000, 0.0005793600000000 ] - [ -0.0001313800000000, -0.0004226300000000, 0.0006385400000000 ] - [ -0.0013697400000000, 0.0013893300000000, 0.0013145800000000 ] - [ 0.0000461000000000, 0.0001394000000000, 0.0000140000000000 ] - [ 0.0001375300000000, 0.0000166300000000, 0.0004630600000000 ] - [ 0.0001335100000000, -0.0000088800000000, 0.0005370200000000 ] - [ 0.0003558700000000, 0.0004187000000000, -0.0000607000000000 ] - [ -0.0002098400000000, -0.0000015700000000, -0.0001483200000000 ] - [ 0.0005043500000000, -0.0004739000000000, -0.0007596700000000 ] - [ 0.0008268900000000, 0.0017439400000000, -0.0007236500000000 ] - [ -0.0001585900000000, -0.0000550500000000, 0.0002296800000000 ] - [ 0.0004057100000000, 0.0003423900000000, -0.0005469400000000 ] - [ -0.0019237400000000, 0.0001558600000000, -0.0007236500000000 ] - [ -0.0002281600000000, -0.0004377200000000, -0.0013721400000000 ] - [ 0.0001582300000000, -0.0006737300000000, -0.0007596700000000 ] - [ 0.0000553900000000, 0.0000244500000000, 0.0005141800000000 ] - [ 0.0004317000000000, -0.0000975300000000, 0.0006385400000000 ] - [ 0.0000037400000000, -0.0000848100000000, 0.0005267700000000 ] - [ -0.0000260500000000, 0.0000087700000000, 0.0008180500000000 ] - [ 0.0002566200000000, -0.0004444800000000, -0.0028470200000000 ] - [ -0.0001292100000000, 0.0001393500000000, 0.0001562400000000 ] - [ -0.0006169800000000, -0.0002098600000000, 0.0009022300000000 ] - [ -0.0000131600000000, -0.0000084400000000, 0.0004934500000000 ] - [ -0.0002825200000000, -0.0002900100000000, 0.0005422800000000 ] - [ -0.0000276100000000, 0.0000478300000000, 0.0003416600000000 ] - [ -0.0003428200000000, -0.0003373600000000, 0.0005793600000000 ] - [ 0.0015797800000000, -0.0027362600000000, -0.0063904100000000 ] - [ -0.0000690100000000, -0.0001103400000000, 0.0004781000000000 ] - [ -0.0000157300000000, 0.0000272500000000, 0.0000767900000000 ] - [ -0.0001210200000000, 0.0000687400000000, 0.0005300300000000 ] - [ -0.0003846800000000, 0.0006662800000000, 0.0011760500000000 ] - [ -0.0005083600000000, -0.0003361300000000, 0.0002216700000000 ] - [ 0.0002915500000000, -0.0000184100000000, 0.0001145400000000 ] - [ 0.0000009800000000, 0.0001391700000000, 0.0005300300000000 ] - [ -0.0001246100000000, -0.0002156300000000, -0.0005975300000000 ] - [ 0.0001167100000000, 0.0003063600000000, -0.0008458200000000 ] - [ 0.0002490400000000, 0.0000001000000000, -0.0005975300000000 ] - [ -0.0001298300000000, -0.0002616900000000, 0.0001145400000000 ] - [ -0.0003236700000000, 0.0000521100000000, -0.0008458200000000 ] - [ 0.0001141600000000, -0.0001977300000000, 0.0004660400000000 ] - [ -0.0008229400000000, 0.0014253800000000, -0.0069163700000000 ] - [ 0.0001300600000000, 0.0000045900000000, 0.0004781000000000 ] - [ 0.0005452800000000, 0.0002721900000000, 0.0002216700000000 ] - [ -0.0000630400000000, 0.0001091800000000, 0.0004548400000000 ]- atom: 31 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0000053200000000, 0.0002630000000000, 0.0002412100000000 ] - [ -0.0000772300000000, 0.0001100100000000, 0.0001594600000000 ] - [ -0.0000380300000000, 0.0000431400000000, 0.0001225700000000 ] - [ 0.0000213500000000, -0.0001793200000000, 0.0001692400000000 ] - [ -0.0002948800000000, 0.0001104800000000, -0.0002473100000000 ] - [ 0.0010245400000000, -0.0016847800000000, -0.0001154600000000 ] - [ -0.0000920100000000, 0.0006799700000000, -0.0000186900000000 ] - [ -0.0006166200000000, -0.0001023000000000, -0.0003436800000000 ] - [ 0.0000810000000000, 0.0001659300000000, 0.0000611600000000 ] - [ -0.0035091300000000, 0.0011557300000000, -0.0000439200000000 ] - [ 0.0000545400000000, 0.0000975100000000, 0.0000771700000000 ] - [ -0.0008942000000000, 0.0002471900000000, 0.0034819900000000 ] - [ -0.0004362100000000, 0.0004875800000000, 0.0040001800000000 ] - [ 0.0000271700000000, -0.0002352000000000, 0.0001651800000000 ] - [ -0.0004940600000000, 0.0006097400000000, -0.0009239600000000 ] - [ -0.0000887600000000, -0.0000997200000000, 0.0001565800000000 ] - [ 0.0001118300000000, -0.0000061500000000, 0.0001780000000000 ] - [ 0.0001710400000000, 0.0000631400000000, 0.0001527700000000 ] - [ -0.0001655900000000, 0.0002405700000000, -0.0001575700000000 ] - [ 0.0019720800000000, -0.0005490200000000, -0.0023920900000000 ] - [ 0.0001858600000000, 0.0006455100000000, -0.0000360200000000 ] - [ 0.0000862300000000, 0.0001471200000000, 0.0000718900000000 ] - [ 0.0000521700000000, -0.0001752900000000, 0.0001751700000000 ] - [ 0.0000359400000000, -0.0000081000000000, 0.0001419500000000 ] - [ 0.0004072400000000, -0.0001809100000000, 0.0001927700000000 ] - [ 0.0000828100000000, 0.0002952100000000, -0.0007620700000000 ] - [ -0.0002999200000000, 0.0000152000000000, -0.0001841800000000 ] - [ -0.0000255000000000, -0.0001358100000000, 0.0003139000000000 ] - [ 0.0001283100000000, 0.0001517000000000, 0.0001644400000000 ] - [ -0.0001131600000000, 0.0001481900000000, -0.0000069000000000 ] - [ 0.0205480600000000, -0.0257580000000000, -0.0061191100000000 ] - [ -0.0004300100000000, -0.0001655600000000, 0.0002268600000000 ] - [ -0.0000044600000000, 0.0001413000000000, 0.0002555700000000 ] - [ 0.0000041400000000, 0.0000171600000000, 0.0002357300000000 ] - [ 0.0010404500000000, 0.0000436500000000, 0.0004356200000000 ] - [ -0.0001055700000000, -0.0000239600000000, 0.0000840800000000 ] - [ 0.0009594200000000, 0.0010047300000000, 0.0000038300000000 ] - [ 0.0016857700000000, -0.0008866600000000, -0.0011900600000000 ] - [ -0.0013583500000000, 0.0008087500000000, -0.0000047700000000 ] - [ -0.0001720600000000, 0.0000621800000000, 0.0000588300000000 ] - [ 0.0008727100000000, -0.0000708200000000, 0.0002552100000000 ] - [ 0.0000768700000000, -0.0000607000000000, 0.0000697600000000 ] - [ -0.0004566200000000, 0.0000023400000000, -0.0002475600000000 ] - [ -0.0042411000000000, 0.0019347600000000, 0.0000551700000000 ] - [ -0.0000337700000000, -0.0003227600000000, -0.0000574600000000 ] - [ 0.0002240600000000, -0.0001379900000000, 0.0002341200000000 ] - [ -0.0003853500000000, 0.0008098000000000, 0.0002052500000000 ] - [ -0.0000603500000000, -0.0002020000000000, 0.0001129000000000 ] - [ -0.0001840500000000, 0.0000494200000000, 0.0002732200000000 ] - [ -0.0005172500000000, -0.0002558800000000, 0.0004442800000000 ] - [ -0.0001705200000000, 0.0000203300000000, 0.0004334600000000 ] - [ -0.0001458200000000, 0.0000302400000000, 0.0001743100000000 ] - [ -0.0001614200000000, 0.0001047200000000, 0.0001635200000000 ] - [ -0.0005559900000000, 0.0009014600000000, 0.0002268100000000 ] - [ -0.0000587400000000, -0.0000472500000000, 0.0001131200000000 ] - [ 0.0000412300000000, 0.0000158200000000, 0.0000850600000000 ] - [ 0.0002897000000000, -0.0016227000000000, -0.0001661900000000 ] - [ -0.0001952200000000, -0.0001247900000000, 0.0002473000000000 ] - [ -0.0001614000000000, 0.0000591600000000, 0.0003241100000000 ] - [ 0.0000693900000000, 0.0001673100000000, 0.0002944400000000 ] - [ -0.0003824700000000, 0.0005924800000000, -0.0010434600000000 ] - [ 0.0002077300000000, 0.0004193500000000, -0.0005000700000000 ] - [ 0.0003931700000000, -0.0001828600000000, 0.0000013000000000 ] - [ 0.0000666100000000, -0.0000338300000000, 0.0002878700000000 ] - [ 0.0000167000000000, 0.0000648700000000, 0.0001096900000000 ] - [ -0.0019795500000000, 0.0115355900000000, 0.0024933300000000 ] - [ 0.0001873500000000, 0.0000082000000000, 0.0007123300000000 ] - [ -0.0012875600000000, 0.0020063000000000, 0.0004625500000000 ] - [ 0.0001241700000000, 0.0000788600000000, -0.0017323300000000 ] - [ -0.0003064900000000, -0.0000725000000000, 0.0004041500000000 ] - [ -0.0019761000000000, -0.0004463100000000, -0.0004368600000000 ] - [ -0.0012791900000000, 0.0018060000000000, 0.0001323500000000 ] - [ -0.0000508600000000, -0.0036544500000000, -0.0035177900000000 ] - [ -0.0020041700000000, -0.0020339800000000, -0.0027128000000000 ] - [ 0.0062858300000000, 0.0122970800000000, -0.0030944700000000 ] - [ 0.0005501800000000, -0.0002058600000000, -0.0001145900000000 ] - [ -0.0000025500000000, -0.0001022300000000, 0.0001966600000000 ] - [ -0.0000617600000000, 0.0001386700000000, 0.0003076800000000 ] - [ 0.0006629600000000, -0.0001545800000000, -0.0000295900000000 ] - [ 0.0001016100000000, -0.0000968300000000, 0.0000067700000000 ] - [ 0.0002338600000000, 0.0000703100000000, -0.0008377800000000 ] - [ 0.0002145700000000, 0.0001878500000000, 0.0002071700000000 ] - [ -0.0004355100000000, -0.0000941500000000, 0.0003506300000000 ] - [ -0.0001242600000000, 0.0000258900000000, 0.0001456200000000 ] - [ -0.0000110600000000, -0.0000017400000000, -0.0001170200000000 ] - [ -0.0000087800000000, -0.0000056100000000, -0.0001097800000000 ] - [ 0.0000184100000000, 0.0000058000000000, 0.0001705900000000 ] - [ 0.0002136500000000, -0.0000965500000000, 0.0001573000000000 ] - [ 0.0001821300000000, 0.0000856200000000, 0.0002896700000000 ] - [ 0.0002721400000000, 0.0000457600000000, 0.0002417300000000 ] - [ -0.0000425300000000, -0.0000065900000000, 0.0007834700000000 ] - [ -0.0005557100000000, -0.0035553100000000, 0.0001145100000000 ] - [ 0.0004940200000000, -0.0006171500000000, -0.0000618300000000 ] - [ -0.0007770400000000, 0.0022467200000000, 0.0005238200000000 ] - [ 0.0006020700000000, 0.0012524100000000, -0.0002729200000000 ] - [ 0.0000797800000000, 0.0000152300000000, -0.0004069100000000 ] - [ -0.0001537700000000, 0.0003808800000000, 0.0009714700000000 ] - [ -0.0002642000000000, 0.0002509600000000, 0.0002555800000000 ] - [ 0.0007418400000000, 0.0000276800000000, 0.0004041300000000 ] - [ -0.0006918500000000, -0.0000936800000000, -0.0001799800000000 ] - [ 0.0002092100000000, -0.0045563800000000, -0.0005651300000000 ] - [ -0.0000246800000000, -0.0001037500000000, -0.0000943900000000 ] - [ 0.0011452700000000, -0.0025671100000000, -0.0003556000000000 ] - [ 0.0004108500000000, 0.0008310400000000, -0.0007776700000000 ] - [ 0.0001432500000000, 0.0000532400000000, 0.0000010500000000 ] - [ 0.0001206600000000, 0.0016960000000000, -0.0002229700000000 ] - [ 0.0003311000000000, 0.0000915200000000, 0.0001969100000000 ] - [ 0.0005247100000000, 0.0000671200000000, -0.0000132900000000 ] - [ 0.0001875100000000, -0.0004616000000000, -0.0005673200000000 ] - [ -0.0003509500000000, 0.0003751000000000, -0.0001669500000000 ] - [ -0.0000735400000000, 0.0000587000000000, 0.0001056800000000 ] - [ 0.0000720600000000, -0.0001966800000000, -0.0001584200000000 ] - [ -0.0000549400000000, 0.0000731200000000, -0.0000867800000000 ] - [ -0.0012559000000000, -0.0022112700000000, 0.0025232200000000 ] - [ 0.0000162900000000, 0.0002543600000000, 0.0001453400000000 ] - [ -0.0000659200000000, -0.0001973000000000, 0.0017999200000000 ] - [ -0.0002526100000000, 0.0000504300000000, -0.0001204100000000 ] - [ 0.0002548900000000, 0.0001776700000000, 0.0002001600000000 ] - [ -0.0015981500000000, 0.0024649600000000, -0.0000891200000000 ] - [ 0.0005570300000000, 0.0023079500000000, -0.0015325600000000 ] - [ -0.0003845000000000, -0.0001957800000000, -0.0002849900000000 ] - [ -0.0000615800000000, 0.0004855700000000, -0.0001241900000000 ] - [ -0.0003580900000000, -0.0000841200000000, -0.0004256700000000 ] - [ -0.0001241200000000, -0.0003191100000000, 0.0002081400000000 ] - [ 0.0000541600000000, 0.0000259300000000, -0.0002088100000000 ] - [ -0.0003232400000000, -0.0002059200000000, -0.0000179500000000 ] - [ -0.0001904400000000, -0.0001535500000000, -0.0001856400000000 ] - [ -0.0037390700000000, -0.0018141300000000, -0.0004801300000000 ] - [ -0.0001937000000000, 0.0002583700000000, 0.0002106200000000 ] - [ -0.0001265200000000, 0.0001097700000000, 0.0002860100000000 ] - [ 0.0011238200000000, -0.0011962300000000, -0.0007755900000000 ] - [ 0.0004275200000000, 0.0007496200000000, 0.0009694200000000 ] - [ -0.0001930400000000, -0.0001543000000000, 0.0002642800000000 ] - [ -0.0001856400000000, 0.0004751500000000, 0.0004081200000000 ] - [ -0.0001378900000000, 0.0001291200000000, -0.0002612000000000 ] - [ -0.0000418500000000, -0.0000425300000000, 0.0002851300000000 ] - [ 0.0003371100000000, 0.0001946400000000, 0.0008067100000000 ] - [ -0.0001712000000000, 0.0001005900000000, 0.0003922700000000 ] - [ 0.0006381300000000, -0.0005240700000000, -0.0000954100000000 ] - [ -0.0003733600000000, -0.0001730900000000, -0.0001599600000000 ] - [ -0.0000611300000000, 0.0000114200000000, -0.0000219500000000 ] - [ 0.0002874000000000, -0.0019802700000000, -0.0020377700000000 ] - [ 0.0002006700000000, 0.0000454700000000, -0.0004114600000000 ] - [ -0.0001428800000000, -0.0004094700000000, 0.0004136900000000 ] - [ 0.0014389700000000, 0.0001965200000000, 0.0002355500000000 ] - [ 0.0002589500000000, -0.0001327400000000, 0.0002335700000000 ] - [ -0.0000598600000000, -0.0003064200000000, 0.0001917500000000 ] - [ 0.0008859700000000, 0.0003052500000000, -0.0000915300000000 ] - [ 0.0004765700000000, -0.0006250600000000, -0.0001681400000000 ] - [ -0.0000078400000000, -0.0000739400000000, -0.0002661900000000 ] - [ 0.0000735500000000, 0.0000206500000000, -0.0000493600000000 ] - [ 0.0001445400000000, 0.0001441700000000, -0.0001742600000000 ] - [ -0.0001775300000000, -0.0001154600000000, -0.0001844500000000 ] - [ 0.0002662400000000, -0.0005474300000000, -0.0001991700000000 ] - [ 0.0002495400000000, 0.0004789800000000, -0.0001604700000000 ] - [ 0.0002372200000000, 0.0012583900000000, 0.0019005800000000 ] - [ -0.0038318500000000, 0.0027715300000000, 0.0014375500000000 ] - [ -0.0011450100000000, 0.0000629500000000, -0.0007758500000000 ] - [ 0.0010443400000000, -0.0012281600000000, -0.0010367800000000 ] - [ 0.0004683000000000, -0.0009246000000000, -0.0007693800000000 ] - [ -0.0001199700000000, -0.0001475700000000, 0.0003537600000000 ] - [ 0.0002783200000000, -0.0001393400000000, 0.0001725400000000 ] - [ -0.0000486200000000, -0.0000187900000000, -0.0000592300000000 ] - [ 0.0002279400000000, -0.0003330900000000, -0.0000364300000000 ] - [ 0.0005106800000000, 0.0001011600000000, 0.0000146300000000 ] - [ 0.0004579500000000, -0.0004786200000000, 0.0000920000000000 ] - [ -0.0000369600000000, 0.0002727100000000, 0.0003115500000000 ] - [ -0.0000377800000000, -0.0000965500000000, 0.0004639600000000 ] - [ -0.0002577900000000, -0.0001384400000000, 0.0002119400000000 ] - [ -0.0000407600000000, 0.0000573500000000, -0.0002512300000000 ] - [ -0.0000407700000000, -0.0001652900000000, 0.0003541200000000 ] - [ -0.0000339300000000, -0.0000284000000000, -0.0000037000000000 ] - [ 0.0000055500000000, -0.0001599600000000, 0.0001366200000000 ] - [ -0.0006333800000000, -0.0002661800000000, 0.0000512700000000 ] - [ -0.0002811900000000, 0.0003298800000000, -0.0004412200000000 ] - [ -0.0000164100000000, -0.0000340100000000, 0.0000344500000000 ] - [ 0.0009362200000000, -0.0008154200000000, 0.0002209200000000 ] - [ -0.0000589200000000, 0.0000709400000000, -0.0000473400000000 ] - [ 0.0003739900000000, -0.0000708300000000, 0.0003004700000000 ] - [ 0.0002410800000000, -0.0002277600000000, 0.0000507900000000 ] - [ 0.0008411200000000, -0.0006364400000000, -0.0002796100000000 ] - [ -0.0003023200000000, 0.0004433900000000, -0.0006018100000000 ] - [ 0.0000769700000000, -0.0000381700000000, 0.0000473100000000 ] - [ -0.0048438100000000, 0.0032775100000000, 0.0011028300000000 ] - [ 0.0000321900000000, -0.0001841800000000, 0.0001832800000000 ] - [ -0.0004368900000000, -0.0001535700000000, -0.0003481800000000 ] - [ 0.0000878100000000, 0.0000707900000000, 0.0000254200000000 ] - [ -0.0066215700000000, 0.0036866100000000, 0.0021482200000000 ] - [ -0.0000962000000000, 0.0000947200000000, 0.0001105600000000 ]- atom: 31 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000583100000000, 0.0001539200000000, 0.0001846200000000 ] - [ -0.0000376000000000, 0.0001200400000000, 0.0001816300000000 ] - [ -0.0000108700000000, 0.0000561900000000, 0.0001449100000000 ] - [ -0.0000051300000000, -0.0000956300000000, 0.0000882700000000 ] - [ 0.0000448500000000, 0.0003316600000000, -0.0001916300000000 ] - [ -0.0012553100000000, 0.0012868700000000, 0.0001074600000000 ] - [ 0.0005462400000000, -0.0006706900000000, 0.0000063100000000 ] - [ 0.0003594500000000, -0.0003429500000000, -0.0000906300000000 ] - [ -0.0002102800000000, 0.0000807600000000, 0.0000456500000000 ] - [ 0.0032405600000000, -0.0007683800000000, 0.0000329700000000 ] - [ -0.0000415200000000, 0.0001920900000000, 0.0001745100000000 ] - [ 0.0007517200000000, -0.0006936000000000, -0.0037038600000000 ] - [ 0.0002352400000000, -0.0008822900000000, -0.0046171300000000 ] - [ 0.0000017700000000, 0.0000733500000000, 0.0003240600000000 ] - [ 0.0009279200000000, -0.0007180900000000, 0.0006766100000000 ] - [ -0.0000318700000000, -0.0001088800000000, 0.0001886800000000 ] - [ 0.0001444000000000, 0.0000218200000000, 0.0001630800000000 ] - [ 0.0000735000000000, 0.0000935500000000, 0.0000994800000000 ] - [ 0.0001352100000000, 0.0000510300000000, 0.0002829400000000 ] - [ -0.0021611500000000, 0.0009576500000000, 0.0018072900000000 ] - [ 0.0002668500000000, -0.0006587000000000, 0.0000232400000000 ] - [ 0.0001825900000000, -0.0000274000000000, 0.0000529300000000 ] - [ 0.0000028600000000, -0.0002549000000000, 0.0002476000000000 ] - [ 0.0000743500000000, 0.0000155400000000, 0.0001255500000000 ] - [ -0.0001304500000000, 0.0001887000000000, 0.0004015300000000 ] - [ -0.0003330000000000, -0.0006674200000000, 0.0001696500000000 ] - [ 0.0001899800000000, 0.0001964500000000, -0.0001557500000000 ] - [ -0.0001280600000000, 0.0000819800000000, 0.0001762600000000 ] - [ 0.0002059500000000, 0.0001028700000000, 0.0002613900000000 ] - [ 0.0001283100000000, 0.0000150600000000, 0.0004940900000000 ] - [ -0.0199289000000000, 0.0259762800000000, 0.0062770600000000 ] - [ 0.0009411200000000, 0.0001712300000000, -0.0006675300000000 ] - [ 0.0001365700000000, -0.0000463700000000, 0.0002320700000000 ] - [ 0.0001294700000000, -0.0001261600000000, 0.0002504800000000 ] - [ -0.0006007200000000, 0.0000571900000000, -0.0006881300000000 ] - [ -0.0001414000000000, -0.0000997300000000, 0.0001738100000000 ] - [ -0.0013450700000000, -0.0003626500000000, 0.0000366700000000 ] - [ -0.0018150800000000, 0.0013329500000000, 0.0009280200000000 ] - [ 0.0009783200000000, -0.0014624500000000, 0.0000415500000000 ] - [ 0.0000396100000000, -0.0002910200000000, 0.0000549900000000 ] - [ -0.0004075600000000, 0.0001191900000000, -0.0008491900000000 ] - [ 0.0001564100000000, -0.0001209700000000, 0.0001826100000000 ] - [ 0.0003425600000000, -0.0002000900000000, -0.0001011100000000 ] - [ 0.0040651700000000, -0.0015504800000000, -0.0000708300000000 ] - [ 0.0000012000000000, 0.0000228200000000, 0.0001742700000000 ] - [ 0.0001129600000000, -0.0001117100000000, 0.0001890300000000 ] - [ 0.0000984700000000, -0.0004477100000000, -0.0007972600000000 ] - [ -0.0001846800000000, 0.0000221100000000, 0.0000033700000000 ] - [ -0.0000492100000000, 0.0001277800000000, -0.0001502600000000 ] - [ 0.0007521200000000, 0.0002666000000000, -0.0007818500000000 ] - [ 0.0000095600000000, 0.0000405100000000, 0.0000525900000000 ] - [ -0.0002395200000000, 0.0001379400000000, 0.0002492600000000 ] - [ -0.0001130800000000, 0.0000066100000000, 0.0000888500000000 ] - [ 0.0002474800000000, -0.0005792700000000, -0.0004767700000000 ] - [ -0.0000032100000000, -0.0000597100000000, 0.0001478600000000 ] - [ 0.0002274900000000, -0.0001288700000000, 0.0000380300000000 ] - [ -0.0005048900000000, 0.0012498800000000, 0.0001585600000000 ] - [ -0.0002054100000000, -0.0000435100000000, 0.0001759600000000 ] - [ 0.0000218800000000, -0.0003006300000000, 0.0002644800000000 ] - [ -0.0002020100000000, 0.0000774400000000, 0.0002967600000000 ] - [ 0.0008375100000000, -0.0006580200000000, 0.0004474500000000 ] - [ -0.0005187100000000, -0.0007608300000000, 0.0002563100000000 ] - [ -0.0001151000000000, 0.0001943400000000, 0.0001039400000000 ] - [ -0.0000156100000000, -0.0000558900000000, 0.0002997500000000 ] - [ -0.0000854700000000, 0.0000474000000000, 0.0001293500000000 ] - [ 0.0020612300000000, -0.0114846200000000, -0.0023477500000000 ] - [ -0.0001878100000000, -0.0000066900000000, -0.0017040700000000 ] - [ 0.0015726300000000, -0.0015175600000000, -0.0005702000000000 ] - [ -0.0001245900000000, -0.0000810300000000, 0.0007410500000000 ] - [ 0.0003066400000000, 0.0000740200000000, 0.0004930000000000 ] - [ 0.0019769200000000, 0.0004505300000000, -0.0002406900000000 ] - [ 0.0015120400000000, -0.0013978200000000, -0.0005934200000000 ] - [ -0.0004775300000000, 0.0036930200000000, 0.0030361500000000 ] - [ 0.0014836700000000, 0.0020108400000000, 0.0026161700000000 ] - [ -0.0062917800000000, -0.0123592600000000, 0.0032428200000000 ] - [ -0.0003162300000000, -0.0001900400000000, -0.0003570000000000 ] - [ -0.0001016100000000, 0.0001017100000000, 0.0003894400000000 ] - [ 0.0001176900000000, -0.0000426000000000, 0.0002855400000000 ] - [ -0.0003824100000000, -0.0003424400000000, -0.0000739200000000 ] - [ 0.0000296000000000, 0.0000947200000000, 0.0002324400000000 ] - [ -0.0002203000000000, -0.0000758900000000, 0.0002465200000000 ] - [ -0.0002288500000000, -0.0001812500000000, -0.0007983700000000 ] - [ 0.0004361900000000, 0.0000954800000000, 0.0003515100000000 ] - [ 0.0000565200000000, -0.0001421000000000, 0.0000947400000000 ] - [ 0.0000093500000000, -0.0000021900000000, -0.0001237100000000 ] - [ 0.0000061900000000, 0.0000028000000000, -0.0001312000000000 ] - [ -0.0000163700000000, -0.0000017200000000, 0.0001588000000000 ] - [ -0.0001023500000000, -0.0000941100000000, 0.0000972300000000 ] - [ 0.0002408100000000, 0.0000859200000000, 0.0002664500000000 ] - [ 0.0003472700000000, -0.0000502600000000, 0.0001760900000000 ] - [ 0.0000418700000000, 0.0000050700000000, 0.0002748400000000 ] - [ 0.0007409500000000, 0.0038448100000000, -0.0007609800000000 ] - [ -0.0003364600000000, 0.0008905800000000, -0.0000351100000000 ] - [ 0.0004525300000000, -0.0022358400000000, -0.0006257100000000 ] - [ -0.0003429600000000, -0.0010984700000000, -0.0002336800000000 ] - [ -0.0000815600000000, -0.0000179100000000, -0.0003974700000000 ] - [ 0.0002506800000000, -0.0003900300000000, -0.0005169200000000 ] - [ -0.0002337100000000, 0.0001325100000000, 0.0001122000000000 ] - [ 0.0003580200000000, -0.0000226000000000, 0.0003909300000000 ] - [ -0.0009655200000000, 0.0000418200000000, -0.0007804400000000 ] - [ -0.0000093300000000, 0.0042713700000000, -0.0000840900000000 ] - [ -0.0000681900000000, -0.0000563400000000, -0.0000933900000000 ] - [ -0.0015041000000000, 0.0025817500000000, -0.0002984900000000 ] - [ 0.0004559000000000, 0.0005719900000000, -0.0001835500000000 ] - [ -0.0003640300000000, -0.0000516600000000, 0.0002533500000000 ] - [ 0.0001618100000000, -0.0012538600000000, -0.0000146600000000 ] - [ 0.0002251900000000, 0.0001493900000000, 0.0001707200000000 ] - [ -0.0006465800000000, 0.0001451100000000, 0.0000189500000000 ] - [ -0.0003207300000000, 0.0002320900000000, 0.0002057200000000 ] - [ 0.0003529000000000, -0.0000592200000000, -0.0003382700000000 ] - [ 0.0000273200000000, 0.0000102600000000, 0.0003373200000000 ] - [ 0.0001523200000000, -0.0001839200000000, -0.0001695500000000 ] - [ -0.0000393200000000, 0.0000750500000000, -0.0001003200000000 ] - [ 0.0012656800000000, 0.0022283800000000, -0.0025624300000000 ] - [ -0.0000864000000000, 0.0003480600000000, 0.0002223000000000 ] - [ 0.0000620100000000, 0.0001944400000000, -0.0001783400000000 ] - [ -0.0001896500000000, -0.0000464500000000, -0.0002077300000000 ] - [ -0.0001452800000000, 0.0000133100000000, 0.0000535600000000 ] - [ 0.0014022200000000, -0.0024755400000000, -0.0002500500000000 ] - [ -0.0003624300000000, -0.0022877200000000, 0.0008568500000000 ] - [ -0.0001370500000000, 0.0002022400000000, 0.0000424300000000 ] - [ 0.0003067400000000, -0.0000355400000000, -0.0001167500000000 ] - [ 0.0000957200000000, 0.0002493500000000, -0.0000798400000000 ] - [ -0.0001873400000000, -0.0002197800000000, 0.0002108800000000 ] - [ 0.0000761900000000, -0.0000198100000000, -0.0003128500000000 ] - [ 0.0004843500000000, -0.0000555900000000, -0.0000795800000000 ] - [ 0.0001139000000000, 0.0000127100000000, 0.0005013100000000 ] - [ 0.0034260800000000, 0.0017884200000000, -0.0001674300000000 ] - [ -0.0001201300000000, 0.0002758300000000, 0.0002069100000000 ] - [ -0.0002382700000000, 0.0001677300000000, 0.0002713000000000 ] - [ -0.0008668600000000, 0.0007216500000000, 0.0005289900000000 ] - [ -0.0001624000000000, -0.0008809800000000, -0.0014659000000000 ] - [ -0.0001527600000000, -0.0001173700000000, 0.0002900100000000 ] - [ -0.0003597600000000, 0.0004801900000000, 0.0003868400000000 ] - [ 0.0000085800000000, 0.0001113600000000, -0.0000992800000000 ] - [ 0.0000411100000000, 0.0000418000000000, 0.0007731400000000 ] - [ -0.0000764500000000, -0.0001851100000000, -0.0011791900000000 ] - [ 0.0000873100000000, 0.0000481600000000, -0.0000793800000000 ] - [ -0.0009057300000000, 0.0003680300000000, -0.0004073800000000 ] - [ 0.0004713100000000, -0.0000152800000000, -0.0001721600000000 ] - [ 0.0002336300000000, -0.0000078700000000, 0.0003338000000000 ] - [ -0.0002942100000000, 0.0019742300000000, 0.0020073800000000 ] - [ -0.0001988000000000, -0.0000422700000000, -0.0004525200000000 ] - [ -0.0004049000000000, -0.0005399300000000, 0.0003811900000000 ] - [ -0.0011958400000000, -0.0001963900000000, -0.0002304000000000 ] - [ 0.0001634400000000, -0.0000444600000000, 0.0003237300000000 ] - [ -0.0000110700000000, -0.0003081300000000, 0.0001757600000000 ] - [ -0.0010091800000000, -0.0005182100000000, 0.0000976200000000 ] - [ -0.0003747600000000, 0.0008011000000000, -0.0001646700000000 ] - [ -0.0000522700000000, -0.0000299100000000, -0.0002544900000000 ] - [ 0.0001017000000000, -0.0000280000000000, -0.0001377600000000 ] - [ 0.0000770500000000, 0.0002403500000000, -0.0001549000000000 ] - [ 0.0001764800000000, 0.0001103900000000, 0.0018060300000000 ] - [ 0.0005964100000000, -0.0008625500000000, -0.0007619100000000 ] - [ 0.0005333400000000, 0.0009745900000000, -0.0008006900000000 ] - [ 0.0000373800000000, -0.0017257700000000, -0.0021600100000000 ] - [ 0.0040569800000000, -0.0029950300000000, -0.0021435100000000 ] - [ -0.0005083900000000, -0.0000217500000000, -0.0001848000000000 ] - [ -0.0010489800000000, 0.0009192200000000, 0.0005362700000000 ] - [ 0.0003147700000000, -0.0005371900000000, -0.0001908300000000 ] - [ 0.0000347200000000, 0.0000099900000000, -0.0000386700000000 ] - [ 0.0003026600000000, -0.0000999600000000, 0.0001948100000000 ] - [ -0.0000331700000000, 0.0001508100000000, 0.0003757500000000 ] - [ -0.0002722900000000, 0.0002561300000000, 0.0004782200000000 ] - [ -0.0005139000000000, -0.0001068800000000, -0.0000924700000000 ] - [ -0.0009962000000000, 0.0004623900000000, -0.0003367100000000 ] - [ -0.0000265900000000, 0.0001786800000000, 0.0002445300000000 ] - [ 0.0001918000000000, 0.0000910500000000, -0.0001472500000000 ] - [ -0.0002388300000000, -0.0002298900000000, 0.0001560700000000 ] - [ -0.0000191900000000, 0.0000589700000000, -0.0002694800000000 ] - [ -0.0000221400000000, -0.0002697400000000, 0.0001997400000000 ] - [ 0.0000757400000000, -0.0000586300000000, -0.0000429500000000 ] - [ -0.0001210300000000, -0.0000400600000000, 0.0000553900000000 ] - [ 0.0006309400000000, 0.0002509300000000, 0.0001071700000000 ] - [ -0.0001788000000000, -0.0003225400000000, 0.0007805000000000 ] - [ 0.0000427900000000, -0.0000137300000000, 0.0000063600000000 ] - [ -0.0009420500000000, 0.0008110700000000, -0.0000652300000000 ] - [ 0.0000044900000000, -0.0000716700000000, 0.0000878100000000 ] - [ -0.0001412700000000, 0.0004741900000000, 0.0000327800000000 ] - [ -0.0001984000000000, 0.0003023300000000, -0.0001024000000000 ] - [ -0.0008209000000000, 0.0006672100000000, -0.0004230100000000 ] - [ 0.0002082900000000, -0.0004511500000000, 0.0005516400000000 ] - [ -0.0000513000000000, 0.0000834800000000, -0.0000087000000000 ] - [ 0.0049658600000000, -0.0032492100000000, -0.0018871500000000 ] - [ 0.0002024000000000, -0.0002080400000000, 0.0001525900000000 ] - [ 0.0004504600000000, 0.0001424300000000, -0.0003598000000000 ] - [ 0.0001494500000000, -0.0000681100000000, 0.0001659500000000 ] - [ 0.0064321000000000, -0.0037336900000000, -0.0018992900000000 ] - [ -0.0000201900000000, 0.0001126100000000, 0.0000814200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000049100000000, 0.0002550800000000, 0.0005685200000000 ] - [ -0.0000322800000000, 0.0001620900000000, 0.0005453600000000 ] - [ 0.0000188400000000, 0.0000939800000000, 0.0005037600000000 ] - [ -0.0000481600000000, -0.0001311700000000, 0.0005952800000000 ] - [ 0.0005100000000000, 0.0004870100000000, -0.0005677200000000 ] - [ -0.0000952400000000, -0.0003631400000000, -0.0021273700000000 ] - [ 0.0002705500000000, 0.0000098100000000, -0.0005828500000000 ] - [ 0.0005100000000000, -0.0004870100000000, -0.0005677200000000 ] - [ -0.0000768600000000, 0.0002034200000000, 0.0002501200000000 ] - [ -0.0001408200000000, 0.0003469100000000, -0.0018387900000000 ] - [ -0.0000481600000000, 0.0001311700000000, 0.0005952800000000 ] - [ -0.0023240700000000, 0.0025296900000000, 0.0022567200000000 ] - [ -0.0022381000000000, 0.0035171300000000, 0.0029286100000000 ] - [ 0.0003006700000000, 0.0003843000000000, 0.0008916100000000 ] - [ 0.0003029100000000, -0.0009316200000000, -0.0003627500000000 ] - [ -0.0000322800000000, -0.0001620900000000, 0.0005453600000000 ] - [ 0.0001520000000000, 0.0000000000000000, 0.0005832800000000 ] - [ 0.0001475100000000, 0.0001389600000000, 0.0005186000000000 ] - [ 0.0002834900000000, -0.0002371900000000, 0.0006355200000000 ] - [ -0.0022381000000000, -0.0035171300000000, 0.0029286100000000 ] - [ 0.0002705500000000, -0.0000098100000000, -0.0005828500000000 ] - [ 0.0001878200000000, 0.0000720000000000, 0.0002606200000000 ] - [ 0.0000049100000000, -0.0002550800000000, 0.0005685200000000 ] - [ 0.0000510400000000, 0.0000000000000000, 0.0005323100000000 ] - [ -0.0001504700000000, 0.0000000000000000, 0.0014331200000000 ] - [ -0.0001307200000000, -0.0002431800000000, -0.0006113000000000 ] - [ 0.0004550800000000, 0.0002741700000000, -0.0004211400000000 ] - [ -0.0002859900000000, -0.0002147900000000, 0.0006155000000000 ] - [ 0.0002157900000000, 0.0000692900000000, 0.0005996200000000 ] - [ 0.0003006700000000, -0.0003843000000000, 0.0008916100000000 ] - [ 0.0127640200000000, 0.0000000000000000, -0.0332206000000000 ] - [ -0.0004876800000000, 0.0000000000000000, -0.0003275300000000 ] - [ 0.0001482900000000, 0.0000337800000000, 0.0004390000000000 ] - [ 0.0001482900000000, -0.0000337800000000, 0.0004390000000000 ] - [ 0.0003029100000000, 0.0009316200000000, -0.0003627500000000 ] - [ -0.0001408000000000, -0.0000800100000000, 0.0004929500000000 ] - [ -0.0002069100000000, 0.0003598600000000, -0.0005721400000000 ] - [ -0.0023240700000000, -0.0025296900000000, 0.0022567200000000 ] - [ -0.0002069100000000, -0.0003598600000000, -0.0005721400000000 ] - [ -0.0000768600000000, -0.0002034200000000, 0.0002501200000000 ] - [ 0.0003907000000000, 0.0007540900000000, -0.0005866800000000 ] - [ 0.0001475100000000, -0.0001389600000000, 0.0005186000000000 ] - [ 0.0004550800000000, -0.0002741700000000, -0.0004211400000000 ] - [ -0.0000952400000000, 0.0003631400000000, -0.0021273700000000 ] - [ 0.0002834900000000, 0.0002371900000000, 0.0006355200000000 ] - [ 0.0002157900000000, -0.0000692900000000, 0.0005996200000000 ] - [ -0.0001307200000000, 0.0002431800000000, -0.0006113000000000 ] - [ -0.0003573800000000, -0.0002898300000000, 0.0004813100000000 ] - [ -0.0003573800000000, 0.0002898300000000, 0.0004813100000000 ] - [ -0.0008310900000000, 0.0000000000000000, -0.0000155300000000 ] - [ -0.0002859900000000, 0.0002147900000000, 0.0006155000000000 ] - [ -0.0002703500000000, 0.0000854700000000, 0.0006631700000000 ] - [ -0.0001408000000000, 0.0000800100000000, 0.0004929500000000 ] - [ -0.0001323500000000, 0.0001559600000000, -0.0003928100000000 ] - [ 0.0000188400000000, -0.0000939800000000, 0.0005037600000000 ] - [ 0.0001878200000000, -0.0000720000000000, 0.0002606200000000 ] - [ -0.0001408200000000, -0.0003469100000000, -0.0018387900000000 ] - [ -0.0002703500000000, -0.0000854700000000, 0.0006631700000000 ] - [ -0.0000759300000000, -0.0001761500000000, 0.0005118200000000 ] - [ -0.0000759300000000, 0.0001761500000000, 0.0005118200000000 ] - [ 0.0003907000000000, -0.0007540900000000, -0.0005866800000000 ] - [ -0.0001323500000000, -0.0001559600000000, -0.0003928100000000 ] - [ -0.0003032100000000, 0.0000000000000000, 0.0012956600000000 ] - [ -0.0000064400000000, -0.0000619700000000, 0.0012916400000000 ] - [ -0.0000652700000000, 0.0000265300000000, 0.0011290400000000 ] - [ 0.0006055400000000, -0.0002964900000000, -0.0041262500000000 ] - [ 0.0000081500000000, 0.0006941500000000, 0.0005207900000000 ] - [ -0.0004003000000000, 0.0011234700000000, -0.0001530700000000 ] - [ 0.0000081500000000, -0.0006941500000000, 0.0005207900000000 ] - [ 0.0002527200000000, 0.0000000000000000, 0.0009023900000000 ] - [ -0.0001353700000000, 0.0000000000000000, -0.0024537600000000 ] - [ -0.0003146300000000, 0.0008669700000000, -0.0004027900000000 ] - [ 0.0133394700000000, 0.0000000000000000, 0.0065261600000000 ] - [ 0.0117558100000000, 0.0000000000000000, 0.0048978600000000 ] - [ 0.0006055400000000, 0.0002964900000000, -0.0041262500000000 ] - [ -0.0003146300000000, -0.0008669700000000, -0.0004027900000000 ] - [ 0.0000254500000000, 0.0000000000000000, 0.0017273700000000 ] - [ -0.0000064400000000, 0.0000619700000000, 0.0012916400000000 ] - [ -0.0004003000000000, -0.0011234700000000, -0.0001530700000000 ] - [ 0.0001347600000000, 0.0000000000000000, 0.0015084900000000 ] - [ 0.0000128400000000, -0.0010970100000000, 0.0008393300000000 ] - [ 0.0000128400000000, 0.0010970100000000, 0.0008393300000000 ] - [ 0.0001148100000000, 0.0000000000000000, 0.0012563100000000 ] - [ -0.0000652700000000, -0.0000265300000000, 0.0011290400000000 ] - [ 0.0000124100000000, -0.0000064600000000, -0.0004600700000000 ] - [ 0.0000124100000000, 0.0000064600000000, -0.0004600700000000 ] - [ -0.0000281000000000, 0.0000000000000000, -0.0001510000000000 ] - [ -0.0001618900000000, -0.0000497300000000, -0.0001493000000000 ] - [ 0.0002940800000000, 0.0002102900000000, -0.0000834100000000 ] - [ 0.0001574300000000, 0.0000000000000000, -0.0003613000000000 ] - [ -0.0000146400000000, 0.0001918500000000, -0.0002776500000000 ] - [ -0.0001529900000000, 0.0003206200000000, 0.0004390600000000 ] - [ 0.0000663000000000, -0.0001684100000000, 0.0002071600000000 ] - [ -0.0039497400000000, 0.0000000000000000, 0.0012191500000000 ] - [ -0.0030421800000000, -0.0016901300000000, -0.0001142600000000 ] - [ -0.0000099300000000, 0.0000000000000000, -0.0010507000000000 ] - [ -0.0023291900000000, 0.0000000000000000, -0.0032629300000000 ] - [ -0.0002222100000000, 0.0000972200000000, -0.0003474900000000 ] - [ 0.0004831800000000, 0.0000000000000000, 0.0001255400000000 ] - [ -0.0009655800000000, 0.0001765000000000, -0.0008228000000000 ] - [ -0.0001529900000000, -0.0003206200000000, 0.0004390600000000 ] - [ -0.0000461600000000, -0.0000724300000000, -0.0007770100000000 ] - [ -0.0000041200000000, 0.0003775600000000, 0.0008885700000000 ] - [ 0.0004550400000000, 0.0003743900000000, -0.0008754500000000 ] - [ 0.0000530900000000, 0.0000000000000000, -0.0001262700000000 ] - [ -0.0032788800000000, -0.0016452300000000, -0.0000752200000000 ] - [ 0.0001764400000000, 0.0001225900000000, -0.0001555700000000 ] - [ -0.0001367500000000, 0.0002983700000000, 0.0008077000000000 ] - [ 0.0000524300000000, -0.0002832500000000, -0.0002286600000000 ] - [ 0.0005388900000000, 0.0008327000000000, -0.0002555600000000 ] - [ 0.0000690100000000, 0.0001744400000000, 0.0002548900000000 ] - [ 0.0001768400000000, -0.0002936000000000, -0.0005024300000000 ] - [ -0.0000461600000000, 0.0000724300000000, -0.0007770100000000 ] - [ -0.0002170000000000, 0.0006696500000000, 0.0026035500000000 ] - [ 0.0000565500000000, 0.0001861600000000, -0.0001867300000000 ] - [ 0.0000185100000000, 0.0005412300000000, 0.0002279300000000 ] - [ -0.0003832600000000, 0.0000000000000000, -0.0007059000000000 ] - [ -0.0001618900000000, 0.0000497300000000, -0.0001493000000000 ] - [ -0.0035844500000000, 0.0000000000000000, 0.0037020500000000 ] - [ -0.0004507200000000, -0.0004042700000000, 0.0028506900000000 ] - [ -0.0000153100000000, 0.0001515800000000, 0.0001416800000000 ] - [ 0.0005886400000000, 0.0007501400000000, -0.0000509300000000 ] - [ 0.0001870000000000, 0.0002389900000000, -0.0000220400000000 ] - [ -0.0000955800000000, -0.0001686800000000, -0.0001339100000000 ] - [ 0.0000690800000000, 0.0000000000000000, -0.0011494000000000 ] - [ 0.0000663000000000, 0.0001684100000000, 0.0002071600000000 ] - [ -0.0000774600000000, -0.0008817900000000, -0.0005248300000000 ] - [ -0.0000041200000000, -0.0003775600000000, 0.0008885700000000 ] - [ -0.0000955800000000, 0.0001686800000000, -0.0001339100000000 ] - [ -0.0002797000000000, 0.0001303400000000, -0.0000480000000000 ] - [ 0.0005886400000000, -0.0007501400000000, -0.0000509300000000 ] - [ -0.0030421800000000, 0.0016901300000000, -0.0001142600000000 ] - [ -0.0002797000000000, -0.0001303400000000, -0.0000480000000000 ] - [ -0.0004261900000000, 0.0004188100000000, 0.0001672400000000 ] - [ 0.0000524300000000, 0.0002832500000000, -0.0002286600000000 ] - [ -0.0000146400000000, -0.0001918500000000, -0.0002776500000000 ] - [ -0.0020459600000000, 0.0000000000000000, -0.0033943200000000 ] - [ -0.0000774600000000, 0.0008817900000000, -0.0005248300000000 ] - [ 0.0001870000000000, -0.0002389900000000, -0.0000220400000000 ] - [ 0.0000410500000000, 0.0001058200000000, 0.0000597100000000 ] - [ 0.0002191000000000, -0.0003698100000000, -0.0002103100000000 ] - [ -0.0002170000000000, -0.0006696500000000, 0.0026035500000000 ] - [ -0.0001945100000000, 0.0000000000000000, -0.0006410100000000 ] - [ -0.0004261900000000, -0.0004188100000000, 0.0001672400000000 ] - [ 0.0005281800000000, 0.0000000000000000, 0.0008399400000000 ] - [ 0.0002940800000000, -0.0002102900000000, -0.0000834100000000 ] - [ 0.0000565500000000, -0.0001861600000000, -0.0001867300000000 ] - [ -0.0001367500000000, -0.0002983700000000, 0.0008077000000000 ] - [ 0.0000410500000000, -0.0001058200000000, 0.0000597100000000 ] - [ -0.0000319200000000, -0.0000532200000000, -0.0009540200000000 ] - [ 0.0000824800000000, 0.0000000000000000, -0.0010057600000000 ] - [ 0.0001768400000000, 0.0002936000000000, -0.0005024300000000 ] - [ 0.0000185100000000, -0.0005412300000000, 0.0002279300000000 ] - [ 0.0004550400000000, -0.0003743900000000, -0.0008754500000000 ] - [ 0.0005612500000000, 0.0011272900000000, -0.0008608400000000 ] - [ -0.0032788800000000, 0.0016452300000000, -0.0000752200000000 ] - [ -0.0004507200000000, 0.0004042700000000, 0.0028506900000000 ] - [ -0.0009655800000000, -0.0001765000000000, -0.0008228000000000 ] - [ 0.0005388900000000, -0.0008327000000000, -0.0002555600000000 ] - [ 0.0005612500000000, -0.0011272900000000, -0.0008608400000000 ] - [ 0.0000424200000000, 0.0002589100000000, 0.0000237000000000 ] - [ 0.0001764400000000, -0.0001225900000000, -0.0001555700000000 ] - [ 0.0000424200000000, -0.0002589100000000, 0.0000237000000000 ] - [ 0.0000690100000000, -0.0001744400000000, 0.0002548900000000 ] - [ 0.0000044700000000, 0.0000000000000000, 0.0012790000000000 ] - [ -0.0000153100000000, -0.0001515800000000, 0.0001416800000000 ] - [ 0.0000010600000000, 0.0003039800000000, -0.0002112400000000 ] - [ 0.0002191000000000, 0.0003698100000000, -0.0002103100000000 ] - [ -0.0002222100000000, -0.0000972200000000, -0.0003474900000000 ] - [ -0.0000319200000000, 0.0000532200000000, -0.0009540200000000 ] - [ 0.0000010600000000, -0.0003039800000000, -0.0002112400000000 ] - [ -0.0001577500000000, -0.0002846600000000, -0.0000732600000000 ] - [ -0.0001041100000000, -0.0000327000000000, -0.0002481200000000 ] - [ -0.0001228700000000, -0.0002114000000000, 0.0007458200000000 ] - [ 0.0006958300000000, 0.0000000000000000, -0.0006299000000000 ] - [ -0.0000357600000000, -0.0000626000000000, -0.0002921100000000 ] - [ -0.0001228700000000, 0.0002114000000000, 0.0007458200000000 ] - [ 0.0000873100000000, 0.0000000000000000, -0.0005184800000000 ] - [ -0.0001048900000000, 0.0005557300000000, 0.0000865300000000 ] - [ -0.0001577500000000, 0.0002846600000000, -0.0000732600000000 ] - [ -0.0001254700000000, 0.0001923400000000, 0.0002649800000000 ] - [ 0.0009040000000000, 0.0000000000000000, -0.0011223500000000 ] - [ -0.0000357600000000, 0.0000626000000000, -0.0002921100000000 ] - [ -0.0028532000000000, 0.0000000000000000, 0.0053993600000000 ] - [ -0.0001048900000000, -0.0005557300000000, 0.0000865300000000 ] - [ -0.0001254700000000, -0.0001923400000000, 0.0002649800000000 ] - [ 0.0002274900000000, 0.0000000000000000, -0.0004374400000000 ] - [ -0.0042112400000000, 0.0000000000000000, 0.0061037900000000 ] - [ -0.0001041100000000, 0.0000327000000000, -0.0002481200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000523900000000, 0.0001655300000000, -0.0001562900000000 ] - [ -0.0000890800000000, 0.0000631000000000, -0.0001864800000000 ] - [ -0.0000773900000000, 0.0000152200000000, -0.0002435200000000 ] - [ 0.0000654000000000, -0.0001501100000000, -0.0003349500000000 ] - [ -0.0007604100000000, -0.0000416000000000, 0.0001333400000000 ] - [ -0.0001383700000000, -0.0000360100000000, 0.0021150400000000 ] - [ 0.0001826100000000, -0.0000025700000000, 0.0005710800000000 ] - [ -0.0007604100000000, 0.0000416000000000, 0.0001333400000000 ] - [ -0.0000519700000000, 0.0000314400000000, -0.0001370300000000 ] - [ -0.0000787200000000, 0.0000320300000000, 0.0018335100000000 ] - [ 0.0000654000000000, 0.0001501100000000, -0.0003349500000000 ] - [ 0.0021663600000000, -0.0029375700000000, -0.0024873200000000 ] - [ 0.0020669500000000, -0.0039769600000000, -0.0035510100000000 ] - [ -0.0002758300000000, -0.0005451300000000, -0.0004051500000000 ] - [ 0.0001307200000000, 0.0008222600000000, 0.0001098100000000 ] - [ -0.0000890800000000, -0.0000631000000000, -0.0001864800000000 ] - [ 0.0001117600000000, 0.0000000000000000, -0.0002275900000000 ] - [ 0.0000873800000000, 0.0000303100000000, -0.0002596500000000 ] - [ -0.0003165300000000, 0.0005341900000000, -0.0005146700000000 ] - [ 0.0020669500000000, 0.0039769600000000, -0.0035510100000000 ] - [ 0.0001826100000000, 0.0000025700000000, 0.0005710800000000 ] - [ 0.0000795800000000, 0.0000437000000000, -0.0001342100000000 ] - [ 0.0000523900000000, -0.0001655300000000, -0.0001562900000000 ] - [ 0.0000655400000000, 0.0000000000000000, -0.0002685700000000 ] - [ 0.0004233600000000, 0.0000000000000000, -0.0008217900000000 ] - [ -0.0001398900000000, -0.0001278800000000, 0.0000189600000000 ] - [ -0.0005691100000000, -0.0000733500000000, 0.0000746800000000 ] - [ 0.0001261500000000, 0.0001560500000000, -0.0001303200000000 ] - [ 0.0001155800000000, 0.0001837000000000, -0.0001868500000000 ] - [ -0.0002758300000000, 0.0005451300000000, -0.0004051500000000 ] - [ -0.0120047800000000, 0.0000000000000000, 0.0330122000000000 ] - [ 0.0009948700000000, 0.0000000000000000, -0.0001116100000000 ] - [ -0.0000147300000000, 0.0000691800000000, 0.0000437900000000 ] - [ -0.0000147300000000, -0.0000691800000000, 0.0000437900000000 ] - [ 0.0001307200000000, -0.0008222600000000, 0.0001098100000000 ] - [ -0.0001180200000000, -0.0000337900000000, -0.0002316700000000 ] - [ -0.0001752700000000, 0.0002890400000000, 0.0006102700000000 ] - [ 0.0021663600000000, 0.0029375700000000, -0.0024873200000000 ] - [ -0.0001752700000000, -0.0002890400000000, 0.0006102700000000 ] - [ -0.0000519700000000, -0.0000314400000000, -0.0001370300000000 ] - [ 0.0000746400000000, -0.0007013800000000, -0.0000061500000000 ] - [ 0.0000873800000000, -0.0000303100000000, -0.0002596500000000 ] - [ -0.0005691100000000, 0.0000733500000000, 0.0000746800000000 ] - [ -0.0001383700000000, 0.0000360100000000, 0.0021150400000000 ] - [ -0.0003165300000000, -0.0005341900000000, -0.0005146700000000 ] - [ 0.0001155800000000, -0.0001837000000000, -0.0001868500000000 ] - [ -0.0001398900000000, 0.0001278800000000, 0.0000189600000000 ] - [ 0.0001214300000000, 0.0001142300000000, -0.0003611900000000 ] - [ 0.0001214300000000, -0.0001142300000000, -0.0003611900000000 ] - [ 0.0010675200000000, 0.0000000000000000, -0.0003235100000000 ] - [ 0.0001261500000000, -0.0001560500000000, -0.0001303200000000 ] - [ -0.0001212200000000, 0.0000768700000000, -0.0002517300000000 ] - [ -0.0001180200000000, 0.0000337900000000, -0.0002316700000000 ] - [ -0.0001763500000000, 0.0001721900000000, 0.0001453100000000 ] - [ -0.0000773900000000, -0.0000152200000000, -0.0002435200000000 ] - [ 0.0000795800000000, -0.0000437000000000, -0.0001342100000000 ] - [ -0.0000787200000000, -0.0000320300000000, 0.0018335100000000 ] - [ -0.0001212200000000, -0.0000768700000000, -0.0002517300000000 ] - [ -0.0000569300000000, -0.0000621100000000, 0.0000995300000000 ] - [ -0.0000569300000000, 0.0000621100000000, 0.0000995300000000 ] - [ 0.0000746400000000, 0.0007013800000000, -0.0000061500000000 ] - [ -0.0001763500000000, -0.0001721900000000, 0.0001453100000000 ] - [ 0.0005759600000000, 0.0000000000000000, -0.0011799000000000 ] - [ 0.0000618700000000, -0.0000351400000000, -0.0006964600000000 ] - [ -0.0000027500000000, 0.0000895200000000, -0.0008957900000000 ] - [ -0.0005880100000000, 0.0002469400000000, 0.0042571400000000 ] - [ -0.0000090100000000, -0.0006983300000000, -0.0015167400000000 ] - [ 0.0006798200000000, -0.0006367200000000, 0.0000449500000000 ] - [ -0.0000090100000000, 0.0006983300000000, -0.0015167400000000 ] - [ -0.0002512800000000, 0.0000000000000000, 0.0000008700000000 ] - [ 0.0001353100000000, 0.0000000000000000, 0.0017878700000000 ] - [ 0.0005508900000000, -0.0004583900000000, -0.0000619600000000 ] - [ -0.0137684300000000, 0.0000000000000000, -0.0069204500000000 ] - [ -0.0123585900000000, 0.0000000000000000, -0.0050538100000000 ] - [ -0.0005880100000000, -0.0002469400000000, 0.0042571400000000 ] - [ 0.0005508900000000, 0.0004583900000000, -0.0000619600000000 ] - [ -0.0001329300000000, 0.0000000000000000, -0.0011348900000000 ] - [ 0.0000618700000000, 0.0000351400000000, -0.0006964600000000 ] - [ 0.0006798200000000, 0.0006367200000000, 0.0000449500000000 ] - [ -0.0000019900000000, 0.0000000000000000, -0.0012782600000000 ] - [ -0.0000121900000000, 0.0010826700000000, -0.0014174500000000 ] - [ -0.0000121900000000, -0.0010826700000000, -0.0014174500000000 ] - [ -0.0001149100000000, 0.0000000000000000, -0.0005710400000000 ] - [ -0.0000027500000000, -0.0000895200000000, -0.0008957900000000 ] - [ -0.0000146900000000, 0.0000060000000000, 0.0002204300000000 ] - [ -0.0000146900000000, -0.0000060000000000, 0.0002204300000000 ] - [ 0.0000303200000000, 0.0000000000000000, 0.0004782100000000 ] - [ 0.0002780300000000, -0.0001493600000000, 0.0004222100000000 ] - [ 0.0001315200000000, -0.0000427100000000, 0.0006665100000000 ] - [ 0.0004708300000000, 0.0000000000000000, 0.0007582900000000 ] - [ 0.0000139000000000, -0.0001910300000000, 0.0012942800000000 ] - [ 0.0003521300000000, -0.0000245200000000, -0.0010908500000000 ] - [ 0.0000890700000000, 0.0004295500000000, -0.0003164600000000 ] - [ 0.0035136800000000, 0.0000000000000000, -0.0016551700000000 ] - [ 0.0033237000000000, 0.0018446400000000, -0.0003999500000000 ] - [ 0.0000079400000000, 0.0000000000000000, 0.0002882600000000 ] - [ 0.0024220900000000, 0.0000000000000000, 0.0036955800000000 ] - [ -0.0002745500000000, 0.0002828100000000, 0.0006918500000000 ] - [ 0.0006285100000000, 0.0000000000000000, 0.0006522800000000 ] - [ -0.0006985000000000, -0.0002260300000000, -0.0001159900000000 ] - [ 0.0003521300000000, 0.0000245200000000, -0.0010908500000000 ] - [ -0.0000489400000000, -0.0000846700000000, 0.0005836700000000 ] - [ -0.0003392600000000, -0.0003336700000000, -0.0015392400000000 ] - [ 0.0004162400000000, 0.0010427700000000, -0.0000631600000000 ] - [ -0.0002836300000000, 0.0000000000000000, 0.0003986400000000 ] - [ 0.0035377900000000, 0.0020895600000000, -0.0001602700000000 ] - [ 0.0003946200000000, 0.0001150200000000, 0.0005002500000000 ] - [ 0.0000172600000000, -0.0000913600000000, -0.0008013500000000 ] - [ -0.0001821800000000, 0.0000514300000000, -0.0001258300000000 ] - [ -0.0005419000000000, -0.0005335200000000, -0.0002600500000000 ] - [ -0.0001162800000000, -0.0000971900000000, 0.0001837000000000 ] - [ 0.0000441800000000, -0.0000853300000000, 0.0002018000000000 ] - [ -0.0000489400000000, 0.0000846700000000, 0.0005836700000000 ] - [ 0.0002170300000000, -0.0006692600000000, -0.0026181500000000 ] - [ -0.0001303900000000, 0.0004232600000000, 0.0005314300000000 ] - [ -0.0000207800000000, -0.0005441900000000, 0.0013963700000000 ] - [ -0.0000530600000000, 0.0000000000000000, 0.0004071300000000 ] - [ 0.0002780300000000, 0.0001493600000000, 0.0004222100000000 ] - [ 0.0034881700000000, 0.0000000000000000, -0.0035306300000000 ] - [ 0.0005787800000000, 0.0000904200000000, -0.0034888100000000 ] - [ -0.0005269800000000, -0.0001339100000000, -0.0003769800000000 ] - [ -0.0003352400000000, -0.0002722700000000, -0.0001833500000000 ] - [ -0.0004395300000000, -0.0000837800000000, -0.0004920000000000 ] - [ -0.0002213900000000, -0.0003754100000000, 0.0005321800000000 ] - [ 0.0000593800000000, 0.0000000000000000, 0.0006299800000000 ] - [ 0.0000890700000000, -0.0004295500000000, -0.0003164600000000 ] - [ -0.0000075000000000, 0.0007243500000000, 0.0008233300000000 ] - [ -0.0003392600000000, 0.0003336700000000, -0.0015392400000000 ] - [ -0.0002213900000000, 0.0003754100000000, 0.0005321800000000 ] - [ -0.0000717300000000, 0.0001501800000000, 0.0006298600000000 ] - [ -0.0003352400000000, 0.0002722700000000, -0.0001833500000000 ] - [ 0.0033237000000000, -0.0018446400000000, -0.0003999500000000 ] - [ -0.0000717300000000, -0.0001501800000000, 0.0006298600000000 ] - [ -0.0001270300000000, 0.0005433600000000, 0.0006104600000000 ] - [ -0.0001821800000000, -0.0000514300000000, -0.0001258300000000 ] - [ 0.0000139000000000, 0.0001910300000000, 0.0012942800000000 ] - [ 0.0023143800000000, 0.0000000000000000, 0.0030449600000000 ] - [ -0.0000075000000000, -0.0007243500000000, 0.0008233300000000 ] - [ -0.0004395300000000, 0.0000837800000000, -0.0004920000000000 ] - [ 0.0000611800000000, -0.0002921100000000, -0.0003802700000000 ] - [ -0.0000474500000000, 0.0003715900000000, 0.0005118400000000 ] - [ 0.0002170300000000, 0.0006692600000000, -0.0026181500000000 ] - [ 0.0001951400000000, 0.0000000000000000, -0.0002334700000000 ] - [ -0.0001270300000000, -0.0005433600000000, 0.0006104600000000 ] - [ -0.0002895600000000, 0.0000000000000000, -0.0008351400000000 ] - [ 0.0001315200000000, 0.0000427100000000, 0.0006665100000000 ] - [ -0.0001303900000000, -0.0004232600000000, 0.0005314300000000 ] - [ 0.0000172600000000, 0.0000913600000000, -0.0008013500000000 ] - [ 0.0000611800000000, 0.0002921100000000, -0.0003802700000000 ] - [ -0.0000269200000000, -0.0000547600000000, 0.0004333700000000 ] - [ 0.0000962300000000, 0.0000000000000000, 0.0008138800000000 ] - [ 0.0000441800000000, 0.0000853300000000, 0.0002018000000000 ] - [ -0.0000207800000000, 0.0005441900000000, 0.0013963700000000 ] - [ 0.0004162400000000, -0.0010427700000000, -0.0000631600000000 ] - [ 0.0002242300000000, 0.0003363300000000, -0.0000773600000000 ] - [ 0.0035377900000000, -0.0020895600000000, -0.0001602700000000 ] - [ 0.0005787800000000, -0.0000904200000000, -0.0034888100000000 ] - [ -0.0006985000000000, 0.0002260300000000, -0.0001159900000000 ] - [ -0.0005419000000000, 0.0005335200000000, -0.0002600500000000 ] - [ 0.0002242300000000, -0.0003363300000000, -0.0000773600000000 ] - [ -0.0001281800000000, -0.0003976500000000, 0.0002810200000000 ] - [ 0.0003946200000000, -0.0001150200000000, 0.0005002500000000 ] - [ -0.0001281800000000, 0.0003976500000000, 0.0002810200000000 ] - [ -0.0001162800000000, 0.0000971900000000, 0.0001837000000000 ] - [ -0.0000066100000000, 0.0000000000000000, -0.0013677500000000 ] - [ -0.0005269800000000, 0.0001339100000000, -0.0003769800000000 ] - [ -0.0000715100000000, 0.0001374600000000, 0.0007939100000000 ] - [ -0.0000474500000000, -0.0003715900000000, 0.0005118400000000 ] - [ -0.0002745500000000, -0.0002828100000000, 0.0006918500000000 ] - [ -0.0000269200000000, 0.0000547600000000, 0.0004333700000000 ] - [ -0.0000715100000000, -0.0001374600000000, 0.0007939100000000 ] - [ 0.0001993500000000, 0.0002084200000000, 0.0000294100000000 ] - [ -0.0000099500000000, -0.0001678300000000, 0.0004152300000000 ] - [ 0.0001223700000000, 0.0002005700000000, -0.0005806200000000 ] - [ -0.0011546000000000, 0.0000000000000000, 0.0009589300000000 ] - [ 0.0000602700000000, 0.0000199800000000, 0.0003628500000000 ] - [ 0.0001223700000000, -0.0002005700000000, -0.0005806200000000 ] - [ -0.0001379800000000, 0.0000000000000000, 0.0005921900000000 ] - [ 0.0003408900000000, -0.0001497300000000, 0.0002431400000000 ] - [ 0.0001993500000000, -0.0002084200000000, 0.0000294100000000 ] - [ 0.0001375800000000, -0.0001792900000000, -0.0009849500000000 ] - [ -0.0010049500000000, 0.0000000000000000, 0.0010868900000000 ] - [ 0.0000602700000000, -0.0000199800000000, 0.0003628500000000 ] - [ 0.0030047400000000, 0.0000000000000000, -0.0061734300000000 ] - [ 0.0003408900000000, 0.0001497300000000, 0.0002431400000000 ] - [ 0.0001375800000000, 0.0001792900000000, -0.0009849500000000 ] - [ 0.0000067800000000, 0.0000000000000000, 0.0006029300000000 ] - [ 0.0040524100000000, 0.0000000000000000, -0.0059107300000000 ] - [ -0.0000099500000000, 0.0001678300000000, 0.0004152300000000 ]- atom: 64 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0107767900000000, 0.0099272500000000, -0.0012793300000000 ] - [ -0.0020908300000000, -0.0007974900000000, -0.0018260100000000 ] - [ 0.0008587300000000, -0.0018505400000000, 0.0003986600000000 ] - [ 0.0012679500000000, 0.0002083400000000, 0.0005932000000000 ] - [ 0.0000472900000000, -0.0001836300000000, -0.0002304900000000 ] - [ -0.0001262200000000, -0.0002390100000000, -0.0000113000000000 ] - [ 0.0001461600000000, -0.0000017400000000, 0.0000677100000000 ] - [ -0.0000880300000000, -0.0004446800000000, 0.0006287500000000 ] - [ -0.0014211200000000, -0.0024446300000000, -0.0062688800000000 ] - [ -0.0001344100000000, 0.0002377700000000, -0.0000109100000000 ] - [ -0.0002268800000000, 0.0005348900000000, -0.0000472900000000 ] - [ 0.0000674000000000, 0.0001822100000000, -0.0000783500000000 ] - [ 0.0000020300000000, -0.0001697600000000, -0.0002873400000000 ] - [ -0.0002053600000000, -0.0011971500000000, -0.0002999800000000 ] - [ 0.0010423300000000, -0.0000476500000000, -0.0002284500000000 ] - [ -0.0003287000000000, -0.0005416700000000, -0.0001653800000000 ] - [ 0.0006212400000000, -0.0009380300000000, -0.0002202000000000 ] - [ -0.0006580000000000, 0.0000881300000000, 0.0033961200000000 ] - [ -0.0000648500000000, 0.0003151900000000, 0.0002232600000000 ] - [ -0.0001087200000000, 0.0002503600000000, -0.0002903700000000 ] - [ 0.0002636600000000, -0.0000855200000000, -0.0000401500000000 ] - [ 0.0003131400000000, -0.0000571200000000, 0.0002862600000000 ] - [ 0.0084005300000000, -0.0061654500000000, 0.0007401000000000 ] - [ -0.0034868900000000, 0.0049480200000000, 0.0008672000000000 ] - [ 0.0003252600000000, 0.0001204600000000, 0.0005121400000000 ] - [ -0.0002148700000000, -0.0001806100000000, -0.0003112000000000 ] - [ -0.0001440200000000, 0.0000957700000000, -0.0001952200000000 ] - [ -0.0011944000000000, 0.0028292700000000, -0.0060889300000000 ] - [ 0.0041344300000000, 0.0000976700000000, -0.0000385000000000 ] - [ 0.0023570500000000, -0.0008352700000000, 0.0013662600000000 ] - [ 0.0004232600000000, 0.0000701800000000, -0.0000127700000000 ] - [ -0.0001987300000000, 0.0000624200000000, -0.0003567500000000 ] - [ 0.0036641400000000, -0.0000840900000000, 0.0127065800000000 ] - [ 0.0010710900000000, -0.0012302200000000, -0.0003096000000000 ] - [ -0.0001937400000000, -0.0000022400000000, -0.0002263600000000 ] - [ -0.0019861400000000, 0.0005941200000000, -0.0015701500000000 ] - [ -0.0003062100000000, 0.0003135300000000, -0.0000170500000000 ] - [ -0.0000917600000000, 0.0004733800000000, -0.0009515200000000 ] - [ -0.0000647800000000, -0.0002908900000000, 0.0000483600000000 ] - [ 0.0022244600000000, 0.0007910300000000, 0.0012088800000000 ] - [ 0.0001516800000000, 0.0000237400000000, -0.0002676800000000 ] - [ 0.0005883300000000, 0.0008095100000000, -0.0001826100000000 ] - [ -0.0000653900000000, -0.0001306900000000, -0.0001803800000000 ] - [ 0.0000085000000000, 0.0001573000000000, 0.0000306400000000 ] - [ -0.0002800900000000, -0.0002328800000000, 0.0002970900000000 ] - [ -0.0040031700000000, -0.0044091700000000, 0.0012369100000000 ] - [ -0.0000418800000000, 0.0001488400000000, -0.0002863800000000 ] - [ -0.0001762700000000, -0.0002628700000000, 0.0002141500000000 ] - [ 0.0001971300000000, -0.0001274500000000, -0.0003313100000000 ] - [ 0.0001550000000000, -0.0000595900000000, -0.0001939100000000 ] - [ -0.0002385300000000, 0.0011087500000000, -0.0002612800000000 ] - [ 0.0079418300000000, 0.0057884500000000, 0.0007217100000000 ] - [ 0.0011062000000000, -0.0003077000000000, 0.0005857900000000 ] - [ -0.0000936700000000, 0.0003914100000000, 0.0007794200000000 ] - [ 0.0114335600000000, -0.0092439700000000, -0.0005237200000000 ] - [ -0.0002464400000000, -0.0000505900000000, -0.0004498800000000 ] - [ -0.0002160500000000, -0.0001746600000000, -0.0000371700000000 ] - [ 0.0005840500000000, 0.0017609500000000, 0.0003468400000000 ] - [ 0.0002494200000000, 0.0001066500000000, -0.0000862700000000 ] - [ -0.0003384800000000, 0.0002051700000000, 0.0005354100000000 ] - [ 0.0002686200000000, 0.0000300100000000, -0.0003092700000000 ] - [ -0.0001847800000000, -0.0004254900000000, -0.0009522600000000 ] - [ 0.0010847900000000, 0.0011813800000000, -0.0005233000000000 ] - [ -0.7077903300000000, -0.0017258000000000, 0.0089906900000000 ] - [ -0.0001258700000000, -0.0014164200000000, 0.0057349300000000 ] - [ -0.0000522300000000, 0.0001046800000000, 0.0004480700000000 ] - [ 0.0005259000000000, 0.0000075100000000, 0.0000354900000000 ] - [ 0.0002395300000000, 0.0002253800000000, -0.0005970600000000 ] - [ -0.0002620600000000, 0.0004744400000000, -0.0007711000000000 ] - [ -0.0078557600000000, -0.0091373600000000, 0.0025568400000000 ] - [ -0.0001242800000000, -0.0002263100000000, -0.0002327700000000 ] - [ 0.0008693200000000, 0.0004628000000000, -0.0002808700000000 ] - [ 0.0005105000000000, -0.0002806300000000, -0.0001744400000000 ] - [ -0.0003516800000000, 0.0000936900000000, 0.0002189500000000 ] - [ 0.0001182100000000, 0.0000046200000000, -0.0006734400000000 ] - [ -0.0013027700000000, -0.0001124600000000, -0.0001367000000000 ] - [ 0.0034003200000000, -0.0033453400000000, 0.0003180600000000 ] - [ 0.0034854700000000, 0.0033965400000000, 0.0004010300000000 ] - [ 0.0000941600000000, -0.0003487400000000, 0.0002194200000000 ] - [ -0.0000453900000000, 0.0014673400000000, 0.0057045400000000 ] - [ 0.0062730500000000, 0.0000172400000000, -0.0070751800000000 ] - [ -0.0048521600000000, 0.0063485700000000, 0.0032057300000000 ] - [ -0.0002166400000000, -0.0003918600000000, -0.0003434700000000 ] - [ 0.0024543800000000, -0.0000920600000000, -0.0109579700000000 ] - [ -0.0030551900000000, 0.0000090100000000, -0.0019671400000000 ] - [ 0.0009318700000000, -0.0023041100000000, 0.0008013900000000 ] - [ 0.0012035300000000, 0.0031300900000000, 0.0010615900000000 ] - [ 0.0002298100000000, -0.0000330700000000, 0.0003083600000000 ] - [ 0.0009186300000000, 0.0013754500000000, -0.0010181100000000 ] - [ -0.0020781000000000, -0.0000935800000000, -0.0001730000000000 ] - [ -0.0041288100000000, 0.0000108700000000, 0.0042131300000000 ] - [ 0.0001615700000000, 0.0001354200000000, -0.0004019600000000 ] - [ -0.0000266300000000, 0.0000420200000000, 0.0000915400000000 ] - [ -0.0001785900000000, -0.0000359300000000, -0.0000998500000000 ] - [ 0.0001915900000000, 0.0000720500000000, -0.0003013200000000 ] - [ 0.0001622100000000, 0.0002702100000000, 0.0001937000000000 ] - [ -0.0004054000000000, 0.0000726000000000, 0.0001727900000000 ] - [ -0.0029786800000000, 0.0026947200000000, 0.0006671500000000 ] - [ 0.0050418200000000, 0.0003448500000000, 0.0018239300000000 ] - [ -0.0007129100000000, -0.0002704100000000, -0.0002879400000000 ] - [ -0.0000252400000000, -0.0000116300000000, -0.0001370800000000 ] - [ -0.0008619200000000, -0.0006319400000000, -0.0001036400000000 ] - [ -0.0002040200000000, -0.0000293800000000, -0.0003988800000000 ] - [ 0.0001240400000000, 0.0006678300000000, -0.0006646300000000 ] - [ -0.0001505800000000, 0.0001586200000000, 0.0003026300000000 ] - [ 0.0000512800000000, 0.0003315400000000, -0.0000957800000000 ] - [ -0.0021944200000000, 0.0002471000000000, -0.0002677600000000 ] - [ -0.0000755500000000, 0.0002162800000000, -0.0000237800000000 ] - [ -0.0001305600000000, -0.0001151300000000, 0.0002731000000000 ] - [ 0.0000466500000000, 0.0002514200000000, -0.0003225800000000 ] - [ 0.0029979700000000, 0.0000701800000000, 0.0001176500000000 ] - [ 0.0006342400000000, -0.0002176700000000, -0.0014262300000000 ] - [ 0.0856876500000000, 0.0000465600000000, -0.0020861200000000 ] - [ -0.0001082100000000, 0.0000002600000000, 0.0006039900000000 ] - [ -0.0003590800000000, -0.0012107700000000, 0.0000626100000000 ] - [ 0.0000417900000000, -0.0000829900000000, 0.0009398600000000 ] - [ -0.0011007100000000, -0.0004007200000000, -0.0014151500000000 ] - [ 0.0002238900000000, 0.0004030100000000, 0.0003170100000000 ] - [ -0.0005690100000000, -0.0001245200000000, -0.0001531400000000 ] - [ 0.0001369300000000, -0.0002735200000000, -0.0004289600000000 ] - [ 0.0010743100000000, 0.0000219900000000, 0.0000574100000000 ] - [ 0.0007303800000000, 0.0007022000000000, -0.0002972300000000 ] - [ -0.0001569500000000, 0.0001256000000000, -0.0003031000000000 ] - [ -0.0028944800000000, -0.0027335100000000, 0.0006598800000000 ] - [ -0.0006737000000000, -0.0022134100000000, -0.0040543400000000 ] - [ 0.0001346100000000, -0.0001294200000000, -0.0000994300000000 ] - [ -0.0001853900000000, -0.0025446800000000, -0.0007742600000000 ] - [ -0.0000942900000000, -0.0000211900000000, -0.0001603100000000 ] - [ 0.1470854800000000, -0.1054564300000000, -0.0432833800000000 ] - [ 0.0002409600000000, 0.0001586400000000, 0.0027716600000000 ] - [ 0.0000379200000000, -0.0003177400000000, -0.0000754800000000 ] - [ 0.0001903800000000, -0.0001660900000000, -0.0003238000000000 ] - [ -0.0010354600000000, 0.0002670100000000, -0.0009717100000000 ] - [ 0.0003589900000000, 0.0034028500000000, 0.0005715500000000 ] - [ -0.0000382700000000, 0.0001705000000000, -0.0004132900000000 ] - [ 0.0018153900000000, -0.0034588900000000, -0.0013522400000000 ] - [ 0.0001626500000000, -0.0000481600000000, -0.0004125600000000 ] - [ -0.0018501600000000, -0.0000731500000000, 0.0020699700000000 ] - [ -0.0000809800000000, -0.0000748500000000, -0.0001356700000000 ] - [ 0.0006770100000000, -0.0006224700000000, -0.0002368900000000 ] - [ 0.0035281300000000, -0.0002425600000000, -0.0002186000000000 ] - [ 0.0000682600000000, -0.0001013200000000, -0.0003198600000000 ] - [ 0.0015110900000000, 0.0016062300000000, -0.0016762000000000 ] - [ 0.0010769400000000, 0.0068555200000000, -0.0037400900000000 ] - [ 0.0002210500000000, 0.0000329500000000, -0.0000269100000000 ] - [ -0.0013011700000000, 0.0017059900000000, 0.0027675200000000 ] - [ 0.1467407700000000, 0.1054752600000000, -0.0445915500000000 ] - [ 0.0000074300000000, 0.0000315800000000, -0.0001142500000000 ] - [ -0.0004105500000000, -0.0002014700000000, -0.0002149400000000 ] - [ -0.0045580700000000, 0.0000050900000000, 0.0072505200000000 ] - [ -0.0007554600000000, 0.0005724800000000, -0.0001279400000000 ] - [ -0.0014511400000000, -0.0016308000000000, 0.0023518400000000 ] - [ -0.0000907700000000, -0.0000040500000000, 0.0005776700000000 ] - [ 0.0005845600000000, -0.0009782200000000, -0.0004999800000000 ] - [ 0.0005720000000000, 0.0004697200000000, -0.0002840200000000 ] - [ -0.0002946800000000, 0.0000714600000000, -0.0001703000000000 ] - [ -0.0000682600000000, 0.0000286300000000, -0.0001365100000000 ] - [ -0.0010738400000000, 0.0000218300000000, -0.0008702700000000 ] - [ -0.0001057700000000, -0.0000547200000000, -0.0001137300000000 ] - [ 0.0000906800000000, -0.0007036500000000, -0.0006690300000000 ] - [ -0.0018969900000000, 0.0000283300000000, 0.0020782500000000 ] - [ 0.3132212400000000, 0.0006241600000000, 0.0822340900000000 ] - [ 0.0008799100000000, -0.0042227700000000, -0.0014014900000000 ] - [ -0.0004484900000000, -0.0000814900000000, 0.0002597700000000 ] - [ 0.0000299300000000, 0.0000534900000000, -0.0000729000000000 ] - [ -0.0007093800000000, 0.0001097100000000, -0.0001018700000000 ] - [ 0.0004734400000000, 0.0002256200000000, -0.0009795900000000 ] - [ -0.0043657700000000, 0.0000338200000000, 0.0019701300000000 ] - [ -0.0006165500000000, 0.0013226800000000, 0.0000908500000000 ] - [ -0.0008403200000000, 0.0023107200000000, -0.0040743600000000 ] - [ 0.0006804500000000, -0.0014980300000000, -0.0010005200000000 ] - [ 0.0001909200000000, -0.0000454800000000, -0.0000229400000000 ] - [ -0.0080078600000000, -0.0000304800000000, -0.0023588500000000 ] - [ 0.0000612300000000, 0.0000639000000000, 0.0002300400000000 ] - [ -0.0001533700000000, -0.0008350000000000, 0.0010647300000000 ] - [ 0.0005079800000000, -0.0000042300000000, 0.0000200200000000 ] - [ -0.0001232900000000, -0.0000133900000000, -0.0002029000000000 ] - [ -0.0003732400000000, 0.0002919900000000, 0.0000255400000000 ] - [ -0.0012696200000000, 0.0002323200000000, -0.0016392300000000 ] - [ -0.0000626600000000, 0.0000204400000000, -0.0000249800000000 ] - [ -0.0000369900000000, 0.0000204600000000, -0.0003480300000000 ] - [ -0.0001308500000000, 0.0000097500000000, -0.0000238700000000 ] - [ -0.0003200000000000, -0.0002230800000000, 0.0000063800000000 ] - [ -0.0000556100000000, 0.0000062700000000, -0.0003525000000000 ] - [ 0.0001749900000000, 0.0006209700000000, 0.0010323800000000 ] - [ 0.0001063900000000, -0.0000045100000000, -0.0003540200000000 ] - [ -0.0016453300000000, -0.0035580500000000, 0.0013078800000000 ] - [ 0.0000228300000000, -0.0000985200000000, 0.0002288400000000 ] - [ -0.0020727300000000, 0.0038114400000000, 0.0013873600000000 ]- atom: 64 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0108048600000000, -0.0095887800000000, 0.0016917400000000 ] - [ 0.0019878300000000, 0.0010440700000000, 0.0021640800000000 ] - [ -0.0009106900000000, 0.0019510700000000, -0.0001204100000000 ] - [ -0.0012496300000000, -0.0004748800000000, -0.0003387000000000 ] - [ -0.0002984300000000, 0.0006314000000000, -0.0002165300000000 ] - [ -0.0000950600000000, -0.0001452700000000, 0.0000054700000000 ] - [ 0.0003079800000000, 0.0000062300000000, -0.0000754200000000 ] - [ -0.0001689600000000, -0.0000075500000000, -0.0010685700000000 ] - [ 0.0012586700000000, 0.0026740500000000, 0.0063698900000000 ] - [ -0.0001000500000000, 0.0001517600000000, 0.0000009000000000 ] - [ 0.0002402700000000, -0.0002420800000000, 0.0002896300000000 ] - [ -0.0002066800000000, -0.0006192400000000, -0.0001697600000000 ] - [ -0.0001996900000000, -0.0002338200000000, -0.0002975700000000 ] - [ 0.0002342200000000, 0.0010452100000000, 0.0008019400000000 ] - [ -0.0006067400000000, -0.0000595500000000, -0.0000328600000000 ] - [ 0.0002099700000000, 0.0003339200000000, 0.0005047500000000 ] - [ -0.0003657100000000, 0.0009572700000000, 0.0005550000000000 ] - [ 0.0009046000000000, 0.0000693900000000, -0.0031155900000000 ] - [ 0.0000338300000000, -0.0000170400000000, -0.0001131200000000 ] - [ -0.0000848500000000, 0.0001772000000000, -0.0002953300000000 ] - [ 0.0001908800000000, 0.0000767700000000, 0.0000299000000000 ] - [ -0.0000394500000000, 0.0001782400000000, -0.0001751000000000 ] - [ -0.0082737500000000, 0.0056504800000000, -0.0003036900000000 ] - [ 0.0035852600000000, -0.0049296900000000, -0.0005894200000000 ] - [ -0.0000460100000000, -0.0001115600000000, 0.0000747200000000 ] - [ -0.0000360700000000, -0.0001925700000000, -0.0002739600000000 ] - [ 0.0000361800000000, 0.0001087700000000, -0.0001372800000000 ] - [ 0.0010110900000000, -0.0028675400000000, 0.0065671300000000 ] - [ -0.0037908200000000, 0.0001567900000000, 0.0004629700000000 ] - [ -0.0023335300000000, 0.0009957200000000, -0.0008701800000000 ] - [ 0.0003256400000000, -0.0000815900000000, 0.0000551600000000 ] - [ 0.0007110100000000, -0.0000578500000000, -0.0000873900000000 ] - [ -0.0035536400000000, 0.0001725400000000, -0.0122723600000000 ] - [ -0.0009422000000000, 0.0011139600000000, 0.0008038500000000 ] - [ 0.0006303900000000, 0.0001089100000000, -0.0000282900000000 ] - [ 0.0017472200000000, -0.0007351900000000, 0.0018201300000000 ] - [ -0.0000795400000000, 0.0003297300000000, 0.0000617000000000 ] - [ -0.0000415800000000, -0.0000401100000000, 0.0006896100000000 ] - [ -0.0003124100000000, -0.0003636200000000, -0.0000093300000000 ] - [ -0.0023454500000000, -0.0010204000000000, -0.0010882600000000 ] - [ 0.0003144800000000, 0.0000221700000000, -0.0003181000000000 ] - [ -0.0003523800000000, -0.0009962400000000, 0.0004265900000000 ] - [ -0.0000448100000000, -0.0000604000000000, -0.0001605700000000 ] - [ -0.0002304400000000, 0.0002373800000000, -0.0000403200000000 ] - [ 0.0002460500000000, -0.0000740700000000, -0.0001982300000000 ] - [ 0.0043245800000000, 0.0041527700000000, -0.0008096100000000 ] - [ -0.0002445300000000, 0.0002139500000000, -0.0002976300000000 ] - [ -0.0000733600000000, 0.0000811500000000, -0.0001143400000000 ] - [ -0.0004346200000000, 0.0003080700000000, 0.0004414900000000 ] - [ 0.0000756700000000, 0.0000685500000000, -0.0001380300000000 ] - [ 0.0000796200000000, -0.0010527800000000, 0.0007579800000000 ] - [ -0.0082614700000000, -0.0055410600000000, -0.0002859000000000 ] - [ -0.0013798200000000, 0.0004090700000000, -0.0003356600000000 ] - [ -0.0002113000000000, -0.0000707900000000, -0.0010335900000000 ] - [ -0.0115901700000000, 0.0092084500000000, 0.0007704000000000 ] - [ 0.0005224900000000, -0.0000659500000000, 0.0005589100000000 ] - [ -0.0000073700000000, -0.0002099500000000, 0.0000330500000000 ] - [ -0.0009846300000000, -0.0019248300000000, 0.0000771400000000 ] - [ -0.0003889500000000, -0.0003511200000000, 0.0006746700000000 ] - [ 0.0002041100000000, 0.0000404500000000, 0.0000500900000000 ] - [ 0.0001894300000000, -0.0000966600000000, -0.0002747100000000 ] - [ -0.0001295300000000, 0.0000835100000000, 0.0006987800000000 ] - [ -0.0008133400000000, -0.0011609500000000, 0.0006392800000000 ] - [ 0.7279046900000000, 0.0017660000000000, 0.0062285600000000 ] - [ 0.0000475300000000, 0.0015325400000000, -0.0054942400000000 ] - [ 0.0000601300000000, -0.0001077400000000, -0.0002774200000000 ] - [ -0.0005290200000000, -0.0000082200000000, -0.0010179800000000 ] - [ 0.0000429900000000, 0.0002620700000000, 0.0005057300000000 ] - [ 0.0002629400000000, -0.0004742100000000, -0.0002179500000000 ] - [ 0.0078903100000000, 0.0091305300000000, -0.0016442900000000 ] - [ 0.0001250100000000, 0.0002248800000000, -0.0004371900000000 ] - [ -0.0006300700000000, -0.0000568700000000, -0.0001897900000000 ] - [ -0.0009738900000000, 0.0002844600000000, -0.0003032200000000 ] - [ -0.0002155600000000, -0.0000934000000000, -0.0003133200000000 ] - [ -0.0001286300000000, -0.0000008700000000, 0.0008352100000000 ] - [ 0.0015301500000000, -0.0002898900000000, -0.0003103200000000 ] - [ -0.0034950600000000, 0.0033667000000000, 0.0002670300000000 ] - [ -0.0034179000000000, -0.0033201900000000, 0.0001893600000000 ] - [ 0.0001881700000000, -0.0001416300000000, -0.0003142800000000 ] - [ 0.0001682400000000, -0.0014717700000000, -0.0054646500000000 ] - [ -0.0062528000000000, -0.0000267100000000, 0.0063913000000000 ] - [ 0.0048637000000000, -0.0063123200000000, -0.0037889400000000 ] - [ 0.0002189700000000, 0.0003936100000000, 0.0010466900000000 ] - [ -0.0025215600000000, -0.0000257300000000, 0.0112490100000000 ] - [ 0.0030279700000000, -0.0000129300000000, 0.0017063200000000 ] - [ -0.0009444200000000, 0.0023042300000000, -0.0010375300000000 ] - [ -0.0012139300000000, -0.0031330800000000, -0.0007310000000000 ] - [ -0.0001140500000000, -0.0001651800000000, -0.0000560800000000 ] - [ -0.0004912900000000, -0.0011977900000000, 0.0015638600000000 ] - [ 0.0026989700000000, 0.0000791900000000, 0.0006013500000000 ] - [ 0.0040967200000000, -0.0000118700000000, -0.0030908200000000 ] - [ 0.0000351100000000, 0.0001385900000000, -0.0002496400000000 ] - [ 0.0001841400000000, 0.0002317600000000, -0.0001878700000000 ] - [ -0.0001276900000000, 0.0000433200000000, 0.0000054700000000 ] - [ 0.0000774800000000, 0.0000799500000000, -0.0001983400000000 ] - [ -0.0001649900000000, -0.0002733400000000, -0.0010102900000000 ] - [ 0.0004873700000000, -0.0000801700000000, 0.0002789900000000 ] - [ 0.0024776400000000, -0.0023175700000000, -0.0002892000000000 ] - [ -0.0039492700000000, -0.0003220200000000, -0.0010357100000000 ] - [ -0.0009510800000000, 0.0002185800000000, -0.0006826400000000 ] - [ 0.0002271200000000, -0.0002643500000000, -0.0005129400000000 ] - [ 0.0007670900000000, 0.0004772600000000, -0.0000890500000000 ] - [ -0.0001374100000000, 0.0000656600000000, -0.0002531800000000 ] - [ 0.0007469400000000, 0.0007416300000000, -0.0003098700000000 ] - [ -0.0000802900000000, -0.0001574800000000, -0.0000505000000000 ] - [ 0.0002174400000000, 0.0001103800000000, -0.0001512300000000 ] - [ 0.0027508600000000, 0.0000027400000000, 0.0006461000000000 ] - [ -0.0000475300000000, -0.0000031900000000, 0.0000268800000000 ] - [ -0.0000032500000000, -0.0001155500000000, -0.0006511100000000 ] - [ -0.0000489800000000, 0.0000574500000000, -0.0001770400000000 ] - [ -0.0030359300000000, 0.0000016600000000, 0.0003092100000000 ] - [ -0.0003972000000000, -0.0001737400000000, 0.0010908900000000 ] - [ -0.0858691000000000, 0.0000859700000000, 0.0001247100000000 ] - [ 0.0001113700000000, 0.0000024400000000, -0.0006342900000000 ] - [ 0.0002803500000000, 0.0018308900000000, 0.0003194800000000 ] - [ -0.0000450100000000, 0.0000789000000000, 0.0006861600000000 ] - [ 0.0006566400000000, 0.0004022300000000, 0.0010779200000000 ] - [ -0.0001097400000000, -0.0002048500000000, -0.0000659500000000 ] - [ 0.0003559000000000, 0.0001140900000000, -0.0001823000000000 ] - [ -0.0000017700000000, -0.0000307500000000, -0.0002198400000000 ] - [ -0.0016011800000000, -0.0000156100000000, -0.0003147000000000 ] - [ -0.0004735700000000, -0.0002387900000000, 0.0000372000000000 ] - [ -0.0001034800000000, 0.0000394300000000, -0.0001987100000000 ] - [ 0.0025788800000000, 0.0021996000000000, -0.0002292700000000 ] - [ 0.0008124000000000, 0.0022151000000000, 0.0035387300000000 ] - [ 0.0000261400000000, -0.0001328100000000, 0.0000046300000000 ] - [ 0.0000984200000000, 0.0023847700000000, 0.0010868000000000 ] - [ -0.0002327900000000, -0.0000137800000000, -0.0004864600000000 ] - [ -0.1464213600000000, 0.1016695900000000, 0.0418490500000000 ] - [ -0.0006168800000000, 0.0001181500000000, -0.0022358800000000 ] - [ 0.0002177300000000, -0.0001567600000000, -0.0001733400000000 ] - [ 0.0000828000000000, 0.0000224400000000, -0.0001781800000000 ] - [ 0.0006884900000000, -0.0005359400000000, 0.0015174600000000 ] - [ -0.0009176300000000, -0.0024308200000000, 0.0002362900000000 ] - [ -0.0000918400000000, 0.0000699500000000, 0.0000419400000000 ] - [ -0.0018344700000000, 0.0034419800000000, 0.0024210100000000 ] - [ 0.0001111100000000, 0.0000549800000000, 0.0000407600000000 ] - [ 0.0017671800000000, 0.0002185100000000, -0.0017354900000000 ] - [ -0.0001826700000000, -0.0000818200000000, -0.0003644700000000 ] - [ -0.0005713600000000, 0.0004262700000000, -0.0001107100000000 ] - [ -0.0033581500000000, 0.0002317200000000, 0.0005245100000000 ] - [ -0.0000674500000000, 0.0001035300000000, 0.0002821000000000 ] - [ -0.0015143700000000, -0.0016018100000000, 0.0007917000000000 ] - [ -0.0016444200000000, -0.0078152300000000, 0.0045473400000000 ] - [ 0.0000238000000000, -0.0000326200000000, 0.0000291500000000 ] - [ 0.0017267600000000, -0.0018958400000000, -0.0022293600000000 ] - [ -0.1457111800000000, -0.1016772700000000, 0.0430365000000000 ] - [ -0.0001290700000000, -0.0002408800000000, 0.0001162200000000 ] - [ 0.0005107500000000, 0.0003791300000000, -0.0001203100000000 ] - [ 0.0045198400000000, -0.0001085300000000, -0.0078052100000000 ] - [ 0.0009287900000000, -0.0005859100000000, -0.0000648000000000 ] - [ 0.0016771900000000, 0.0020291700000000, -0.0027017300000000 ] - [ 0.0000894800000000, -0.0000005200000000, 0.0010450100000000 ] - [ 0.0002811800000000, -0.0004387400000000, -0.0004703300000000 ] - [ 0.0002130100000000, 0.0009883200000000, -0.0006865300000000 ] - [ 0.0005601900000000, -0.0005218800000000, -0.0000765600000000 ] - [ 0.0002076500000000, 0.0002787100000000, -0.0005127700000000 ] - [ -0.0005836500000000, 0.0000197600000000, -0.0001023600000000 ] - [ 0.0001010800000000, -0.0002513200000000, -0.0003862500000000 ] - [ 0.0006965000000000, -0.0007626800000000, -0.0003045400000000 ] - [ 0.0018143000000000, -0.0001594700000000, -0.0017396200000000 ] - [ -0.3345557400000000, -0.0010574800000000, -0.0908027400000000 ] - [ -0.0009741800000000, 0.0043530800000000, 0.0017155700000000 ] - [ 0.0004021000000000, 0.0000068500000000, 0.0001926800000000 ] - [ -0.0000331200000000, -0.0000586000000000, -0.0000094800000000 ] - [ 0.0001671500000000, -0.0001240000000000, -0.0001470500000000 ] - [ -0.0005242700000000, 0.0002344600000000, 0.0015296100000000 ] - [ 0.0045096900000000, -0.0000377300000000, -0.0016289500000000 ] - [ 0.0001120900000000, -0.0017102900000000, 0.0002909700000000 ] - [ 0.0007895200000000, -0.0021906100000000, 0.0035590000000000 ] - [ -0.0007378500000000, 0.0010567200000000, 0.0015446600000000 ] - [ -0.0001482600000000, -0.0000404300000000, -0.0000267700000000 ] - [ 0.0078801800000000, -0.0001668800000000, 0.0025720900000000 ] - [ -0.0000633500000000, -0.0000817100000000, -0.0000747800000000 ] - [ -0.0003001300000000, 0.0008396300000000, -0.0007276300000000 ] - [ -0.0004821200000000, -0.0000431600000000, 0.0000234400000000 ] - [ 0.0001186000000000, 0.0000084000000000, 0.0003568500000000 ] - [ 0.0003189400000000, -0.0002957700000000, 0.0000087200000000 ] - [ 0.0014945500000000, 0.0001725000000000, 0.0019759900000000 ] - [ 0.0001048400000000, 0.0000539200000000, -0.0000313000000000 ] - [ 0.0000537200000000, 0.0000094200000000, -0.0003572600000000 ] - [ 0.0000355400000000, -0.0000165600000000, -0.0000262300000000 ] - [ 0.0003460000000000, 0.0002710100000000, 0.0000250500000000 ] - [ 0.0000412200000000, 0.0000007200000000, -0.0003575200000000 ] - [ 0.0000636500000000, -0.0010136500000000, -0.0006952800000000 ] - [ -0.0000928400000000, -0.0000041500000000, -0.0003569400000000 ] - [ 0.0019032500000000, 0.0035532900000000, -0.0011104300000000 ] - [ -0.0000352900000000, 0.0000872100000000, -0.0000735300000000 ] - [ 0.0019845000000000, -0.0035984900000000, -0.0011890100000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021873700000000, 0.0023223000000000, -0.0044174500000000 ] - [ -0.0055731900000000, 0.0096530500000000, 0.0089173200000000 ] - [ -0.0003202100000000, 0.0005546200000000, -0.0020412000000000 ] - [ 0.0003451900000000, 0.0002599700000000, -0.0003956000000000 ] - [ -0.0001073100000000, 0.0001858800000000, 0.0006275700000000 ] - [ -0.0001328100000000, -0.0001669700000000, 0.0009989600000000 ] - [ 0.0004318500000000, -0.0000148500000000, 0.0013948300000000 ] - [ 0.0003605600000000, -0.0004688800000000, 0.0008440800000000 ] - [ -0.0027935800000000, 0.0048386300000000, 0.0050045700000000 ] - [ -0.0001103100000000, 0.0001872400000000, 0.0009984000000000 ] - [ 0.0002131600000000, -0.0003394900000000, -0.0003972600000000 ] - [ -0.0001285300000000, -0.0003106200000000, 0.0006994900000000 ] - [ -0.0000336300000000, -0.0001281400000000, 0.0006898000000000 ] - [ 0.0001214500000000, 0.0006681800000000, 0.0000178500000000 ] - [ 0.0003332700000000, -0.0000440000000000, 0.0006994900000000 ] - [ -0.0000123400000000, 0.0003406800000000, -0.0006038500000000 ] - [ -0.0002888700000000, 0.0001810300000000, -0.0006038500000000 ] - [ 0.0100413400000000, 0.0001313100000000, 0.0098126700000000 ] - [ -0.0000161400000000, 0.0003098700000000, 0.0006982300000000 ] - [ -0.0000355800000000, 0.0001320600000000, 0.0006891700000000 ] - [ 0.0002110000000000, 0.0000315300000000, 0.0009989600000000 ] - [ 0.0002635400000000, 0.0000118300000000, 0.0006798700000000 ] - [ -0.0027464800000000, 0.0005292600000000, -0.0045161500000000 ] - [ 0.0007679500000000, -0.0032913900000000, -0.0039854700000000 ] - [ 0.0002865600000000, 0.0000675900000000, 0.0009242700000000 ] - [ -0.0001755700000000, -0.0002412600000000, 0.0010098300000000 ] - [ -0.0001610200000000, 0.0002788900000000, 0.0011158400000000 ] - [ -0.0028895700000000, -0.0048993900000000, 0.0052697900000000 ] - [ 0.0004329400000000, 0.0001191200000000, -0.0022633900000000 ] - [ 0.0006110400000000, -0.0003888600000000, 0.0000155300000000 ] - [ 0.0003709100000000, -0.0000128300000000, 0.0010149200000000 ] - [ 0.0002257800000000, -0.0005466900000000, 0.0008440800000000 ] - [ 0.0056877900000000, 0.0000527500000000, 0.0052697900000000 ] - [ -0.0006393800000000, 0.0002289100000000, 0.0000178500000000 ] - [ 0.0002899000000000, 0.0005925200000000, 0.0008815400000000 ] - [ -0.0051343900000000, -0.0086304000000000, 0.0098126700000000 ] - [ -0.0002828200000000, 0.0004898600000000, 0.0014506100000000 ] - [ -0.0005914700000000, 0.0000072000000000, 0.0008845500000000 ] - [ -0.0001743500000000, -0.0003276300000000, 0.0010149200000000 ] - [ 0.0004861800000000, 0.0003605800000000, -0.0001514500000000 ] - [ 0.0002967200000000, 0.0000314100000000, 0.0010098300000000 ] - [ -0.0003977400000000, -0.0001689500000000, -0.0003956000000000 ] - [ -0.0000861900000000, -0.0001252700000000, 0.0007944500000000 ] - [ -0.0001070000000000, 0.0001891600000000, 0.0009984000000000 ] - [ 0.0006182400000000, 0.0008594700000000, 0.0023054300000000 ] - [ 0.0009148800000000, 0.0026431500000000, -0.0045161500000000 ] - [ -0.0000965700000000, 0.0000968500000000, 0.0006891700000000 ] - [ -0.0001420200000000, -0.0002223100000000, 0.0006798700000000 ] - [ -0.0002602900000000, 0.0001689100000000, 0.0006982300000000 ] - [ 0.0001515800000000, 0.0000120100000000, 0.0007944500000000 ] - [ 0.0000312400000000, -0.0007236100000000, 0.0000155300000000 ] - [ -0.0031048500000000, -0.0007331600000000, -0.0044174500000000 ] - [ 0.0001874300000000, -0.0003543500000000, -0.0003972600000000 ] - [ 0.0002895000000000, 0.0005158300000000, 0.0008845500000000 ] - [ 0.0024664500000000, -0.0023107600000000, -0.0039854700000000 ] - [ -0.0010534400000000, -0.0001056800000000, 0.0023054300000000 ] - [ -0.0002030600000000, -0.0003814200000000, 0.0013948300000000 ] - [ -0.0003196300000000, -0.0003153800000000, -0.0022633900000000 ] - [ -0.0002018200000000, -0.0002143700000000, 0.0009242700000000 ] - [ 0.0005428300000000, -0.0009402100000000, 0.0025292400000000 ] - [ 0.0001277900000000, -0.0000349500000000, 0.0006898000000000 ] - [ -0.0006580800000000, 0.0000452000000000, 0.0008815400000000 ] - [ -0.0005553600000000, -0.0002407600000000, -0.0001514500000000 ] - [ 0.0015673800000000, -0.0027147800000000, -0.7395691200000000 ] - [ 0.0054752000000000, -0.0094833300000000, -0.0072884900000000 ] - [ 0.0001660300000000, 0.0003012600000000, 0.0031376900000000 ] - [ 0.0026323500000000, -0.0000403900000000, 0.0022907800000000 ] - [ -0.0000741700000000, 0.0002594100000000, 0.0029283000000000 ] - [ -0.0012812000000000, -0.0022998800000000, 0.0022907800000000 ] - [ 0.0022265500000000, -0.0038565000000000, 0.0025005100000000 ] - [ 0.0001455300000000, -0.0002520600000000, 0.0028180000000000 ] - [ 0.0001402900000000, 0.0002185400000000, 0.0010797200000000 ] - [ -0.0002594100000000, -0.0000122200000000, 0.0010797200000000 ] - [ -0.0001875700000000, 0.0001939300000000, 0.0029283000000000 ] - [ -0.0003439200000000, 0.0000068500000000, 0.0031376900000000 ] - [ -0.0000496400000000, 0.0000859900000000, 0.0098575400000000 ] - [ -0.0001887700000000, -0.0000472800000000, -0.0050367200000000 ] - [ 0.0001353300000000, 0.0001398400000000, -0.0050367200000000 ] - [ 0.0002589900000000, -0.0004485800000000, 0.0029413900000000 ] - [ 0.0056303300000000, 0.0095554200000000, -0.0072801300000000 ] - [ -0.0033799800000000, -0.0000067100000000, 0.0000849800000000 ] - [ 0.0016958000000000, 0.0029237900000000, 0.0000849800000000 ] - [ -0.0009117100000000, 0.0015791300000000, 0.0028667300000000 ] - [ -0.0110904000000000, -0.0000983000000000, -0.0072801300000000 ] - [ -0.0025423100000000, 0.0000049800000000, 0.0019312200000000 ] - [ 0.0012668400000000, 0.0022041900000000, 0.0019312200000000 ] - [ 0.0008583100000000, -0.0014866400000000, 0.0031859300000000 ] - [ 0.0005881300000000, -0.0010186700000000, -0.0009188300000000 ] - [ -0.0000724100000000, 0.0025949800000000, 0.0014560300000000 ] - [ 0.0011060400000000, 0.0002037600000000, 0.0019480300000000 ] - [ 0.0022959300000000, -0.0000179500000000, 0.0011984300000000 ] - [ 0.0001498600000000, 0.0002327000000000, -0.0014640000000000 ] - [ 0.0003207600000000, 0.0005166400000000, -0.0011341400000000 ] - [ -0.0006078000000000, -0.0000194700000000, -0.0011341400000000 ] - [ 0.0002230700000000, 0.0001923600000000, -0.0013597200000000 ] - [ 0.0005759700000000, -0.0009976100000000, -0.0017134500000000 ] - [ 0.0000130000000000, 0.0000068200000000, -0.0004675700000000 ] - [ -0.0007232500000000, 0.0007905400000000, 0.0019204900000000 ] - [ -0.0008935900000000, 0.0020144000000000, -0.0007013300000000 ] - [ -0.0004246500000000, 0.0003782700000000, -0.0010738800000000 ] - [ 0.0003459400000000, -0.0005074400000000, -0.0013919600000000 ] - [ -0.0000393600000000, -0.0000726100000000, 0.0033895700000000 ] - [ -0.0006140200000000, -0.0000363900000000, -0.0013933400000000 ] - [ -0.0001152700000000, 0.0005568900000000, -0.0010738800000000 ] - [ 0.0006915900000000, -0.0002244600000000, -0.0007475800000000 ] - [ 0.0001992500000000, 0.0002971600000000, -0.0007326500000000 ] - [ 0.0009972100000000, -0.0001708200000000, 0.0018965100000000 ] - [ 0.0000494100000000, -0.0000855900000000, -0.0010105400000000 ] - [ 0.0001294600000000, -0.0001360500000000, -0.0021379500000000 ] - [ 0.0001611300000000, 0.0005294900000000, -0.0012937400000000 ] - [ 0.0000114900000000, -0.0000199000000000, -0.0076142100000000 ] - [ -0.0045204800000000, 0.0078297000000000, -0.0004077400000000 ] - [ -0.0010316600000000, 0.0017869000000000, 0.3755865400000000 ] - [ 0.0001927700000000, -0.0000018600000000, -0.0020057500000000 ] - [ -0.0003230000000000, 0.0010216300000000, 0.0019204900000000 ] - [ 0.0002531500000000, 0.0004520600000000, -0.0012506500000000 ] - [ -0.0023034900000000, -0.0014693800000000, 0.0009514400000000 ] - [ -0.0001514100000000, -0.0007111700000000, -0.0007475800000000 ] - [ -0.0001301100000000, 0.0000289300000000, -0.0007465800000000 ] - [ 0.0002664900000000, -0.0005533200000000, -0.0013919600000000 ] - [ -0.0019241900000000, -0.0000842700000000, -0.0029517800000000 ] - [ 0.0010350700000000, 0.0016242600000000, -0.0029517800000000 ] - [ -0.0005391200000000, 0.0001252000000000, -0.0012937400000000 ] - [ -0.0007294800000000, -0.0008559700000000, 0.0019480300000000 ] - [ -0.0005372300000000, -0.0009826100000000, 0.0053293500000000 ] - [ 0.0001780800000000, -0.0003084400000000, -0.0011922200000000 ] - [ -0.0006906200000000, -0.0012240300000000, -0.0002622500000000 ] - [ -0.0002764500000000, -0.0000134300000000, -0.0014640000000000 ] - [ -0.0424529500000000, 0.0735306700000000, 0.1179099200000000 ] - [ 0.0089792300000000, 0.0002492100000000, -0.0000693700000000 ] - [ 0.0001983000000000, -0.0002770200000000, -0.0007327800000000 ] - [ 0.0003387100000000, -0.0004247200000000, -0.0012900300000000 ] - [ -0.0022111200000000, 0.0013602000000000, 0.0014560300000000 ] - [ -0.0011751100000000, 0.0020353500000000, 0.0009543600000000 ] - [ -0.0001929400000000, 0.0003341800000000, -0.0021443400000000 ] - [ -0.0011324200000000, -0.0019973000000000, 0.0011984300000000 ] - [ 0.0000530900000000, -0.0001801400000000, -0.0021379500000000 ] - [ 0.0014892600000000, -0.0000791700000000, -0.0001354200000000 ] - [ -0.0002781300000000, -0.0000970100000000, -0.0013597200000000 ] - [ 0.0008691000000000, -0.0015053300000000, -0.0028344500000000 ] - [ -0.0008317400000000, -0.0012742200000000, -0.0001369400000000 ] - [ -0.0000947800000000, -0.0001678700000000, -0.0020057500000000 ] - [ -0.0003776300000000, 0.0006540800000000, -0.0019727000000000 ] - [ -0.0012977200000000, 0.0017810700000000, -0.0007013300000000 ] - [ -0.0003329100000000, 0.0001365500000000, -0.0011449900000000 ] - [ 0.0025393700000000, -0.0011645500000000, 0.0014389800000000 ] - [ -0.0430454400000000, -0.0737072500000000, 0.1181050100000000 ] - [ 0.0000482000000000, 0.0003565900000000, -0.0011449900000000 ] - [ 0.0000400000000000, 0.0001271400000000, -0.0007465800000000 ] - [ 0.0011195900000000, -0.0000260500000000, 0.0053293500000000 ] - [ 0.0000825700000000, -0.0000022200000000, 0.0033895700000000 ] - [ 0.0024242600000000, 0.0012601900000000, 0.0009514400000000 ] - [ -0.0005180700000000, 0.0000067900000000, -0.0012506500000000 ] - [ 0.0005655500000000, -0.0001482200000000, -0.0010717000000000 ] - [ 0.0014286100000000, 0.0025751600000000, -0.0022090400000000 ] - [ 0.0001407500000000, -0.0003102400000000, -0.0007327800000000 ] - [ 0.0003385300000000, 0.0005135600000000, -0.0013933400000000 ] - [ -0.0029444600000000, 0.0000503700000000, -0.0022090400000000 ] - [ 0.0001984600000000, -0.0005056900000000, -0.0012900300000000 ] - [ -0.0001544200000000, -0.0005638900000000, -0.0010717000000000 ] - [ 0.0015193800000000, 0.0000832000000000, -0.0001369400000000 ] - [ 0.0853550700000000, 0.0004248200000000, 0.1181050100000000 ] - [ -0.0006760700000000, -0.0013293200000000, -0.0001354200000000 ] - [ -0.0000124100000000, -0.0000078500000000, -0.0004675700000000 ] - [ -0.0000075800000000, 0.0000131300000000, -0.0021235000000000 ] - [ -0.0003569700000000, -0.0000239800000000, -0.0007326500000000 ] - [ -0.0047054300000000, -0.0076516400000000, -0.0000693700000000 ] - [ 0.0014053500000000, -0.0000139200000000, -0.0002622500000000 ] - [ -0.0003506700000000, -0.0009490200000000, 0.0018965100000000 ] - [ -0.0006083900000000, 0.0010537700000000, 0.0052726300000000 ] - [ -0.0002611600000000, -0.0027814300000000, 0.0014389800000000 ] - [ -0.0000021800000000, 0.0000037800000000, -0.0019692700000000 ] - [ -0.0026203300000000, -0.0000905500000000, 0.0003915100000000 ] - [ 0.0001407300000000, -0.0002437500000000, -0.0009775100000000 ] - [ 0.0001017400000000, 0.0005796300000000, -0.0005823900000000 ] - [ 0.0001122000000000, -0.0001943400000000, -0.0070024600000000 ] - [ -0.0002088200000000, 0.0000035100000000, -0.0009481000000000 ] - [ -0.0000029300000000, -0.0000105600000000, 0.0000575100000000 ] - [ -0.0005528400000000, 0.0002017100000000, -0.0005823900000000 ] - [ 0.0000231000000000, 0.0000342500000000, -0.0007357100000000 ] - [ -0.0000058100000000, -0.0000046100000000, -0.0013055000000000 ] - [ -0.0000412100000000, -0.0000028800000000, -0.0007357100000000 ] - [ 0.0000106000000000, -0.0000027400000000, 0.0000575100000000 ] - [ 0.0000069000000000, 0.0000027300000000, -0.0013055000000000 ] - [ 0.0004212900000000, -0.0007297000000000, -0.0005409100000000 ] - [ 0.0000005900000000, -0.0000010300000000, -0.0017490200000000 ] - [ 0.0013885800000000, 0.0022240000000000, 0.0003915100000000 ] - [ 0.0001013600000000, 0.0001826000000000, -0.0009481000000000 ] - [ 0.0012252400000000, -0.0021221800000000, 0.0002614600000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0021370300000000, -0.0019123800000000, 0.0048644300000000 ] - [ 0.0054087300000000, -0.0093682000000000, -0.0085031200000000 ] - [ 0.0002619800000000, -0.0004537600000000, 0.0023273800000000 ] - [ -0.0003184700000000, -0.0005472100000000, 0.0006433000000000 ] - [ -0.0001462200000000, 0.0002532600000000, -0.0010664800000000 ] - [ -0.0000872800000000, -0.0002248000000000, -0.0010119400000000 ] - [ 0.0000134500000000, 0.0000179100000000, -0.0014117300000000 ] - [ -0.0006246100000000, 0.0000313700000000, -0.0012823400000000 ] - [ 0.0026911000000000, -0.0046611200000000, -0.0049381200000000 ] - [ -0.0001224900000000, 0.0002024200000000, -0.0010132100000000 ] - [ -0.0001879900000000, 0.0006344600000000, 0.0006420900000000 ] - [ -0.0000004500000000, -0.0001186200000000, -0.0009495600000000 ] - [ -0.0001534800000000, -0.0002931500000000, -0.0012876200000000 ] - [ -0.0000932400000000, -0.0008337800000000, 0.0004886100000000 ] - [ 0.0001029500000000, -0.0000589200000000, -0.0009495600000000 ] - [ -0.0001193300000000, -0.0005548900000000, 0.0009458900000000 ] - [ 0.0005402100000000, -0.0001741100000000, 0.0009458900000000 ] - [ -0.0097415800000000, 0.0000239500000000, -0.0094911700000000 ] - [ -0.0000154800000000, -0.0000208300000000, -0.0005861700000000 ] - [ -0.0001493100000000, 0.0003007000000000, -0.0012872400000000 ] - [ 0.0002383200000000, -0.0000368200000000, -0.0010119400000000 ] - [ 0.0000073200000000, 0.0001091100000000, -0.0005706800000000 ] - [ 0.0028064100000000, -0.0009485200000000, 0.0049618700000000 ] - [ -0.0006518900000000, 0.0033047200000000, 0.0042838200000000 ] - [ -0.0000091500000000, -0.0000638600000000, -0.0003345000000000 ] - [ -0.0000900900000000, -0.0001413600000000, -0.0016093200000000 ] - [ 0.0000439700000000, -0.0000761600000000, -0.0014572200000000 ] - [ 0.0027796500000000, 0.0049049200000000, -0.0048178900000000 ] - [ -0.0000909700000000, 0.0001392100000000, 0.0026958000000000 ] - [ -0.0005915200000000, 0.0005526600000000, 0.0004895600000000 ] - [ 0.0003808100000000, 0.0000069900000000, -0.0009781100000000 ] - [ 0.0002851400000000, 0.0005566100000000, -0.0012823400000000 ] - [ -0.0056376100000000, 0.0000452200000000, -0.0048178900000000 ] - [ 0.0007687000000000, -0.0003361400000000, 0.0004886100000000 ] - [ 0.0001491100000000, -0.0004977400000000, -0.0011344900000000 ] - [ 0.0048500500000000, 0.0084484400000000, -0.0094911700000000 ] - [ -0.0000900200000000, 0.0001559200000000, -0.0014164100000000 ] - [ 0.0004733200000000, 0.0004218500000000, -0.0011402300000000 ] - [ -0.0001964600000000, -0.0003263000000000, -0.0009781100000000 ] - [ -0.0006282900000000, -0.0005928700000000, 0.0002799100000000 ] - [ 0.0001674600000000, 0.0000073400000000, -0.0016093200000000 ] - [ 0.0006331300000000, 0.0000021900000000, 0.0006433000000000 ] - [ -0.0000315300000000, -0.0000696200000000, -0.0011401400000000 ] - [ -0.0001140500000000, 0.0002072900000000, -0.0010132100000000 ] - [ -0.0006500000000000, -0.0011520500000000, -0.0021978100000000 ] - [ -0.0005817600000000, -0.0029046800000000, 0.0049618700000000 ] - [ -0.0001857600000000, 0.0002796500000000, -0.0012872400000000 ] - [ -0.0000981500000000, 0.0000482200000000, -0.0005706800000000 ] - [ 0.0000257800000000, 0.0000029900000000, -0.0005861700000000 ] - [ 0.0000760500000000, -0.0000075100000000, -0.0011401400000000 ] - [ -0.0001828600000000, 0.0007886000000000, 0.0004895600000000 ] - [ 0.0027246900000000, 0.0008945300000000, 0.0048644300000000 ] - [ -0.0004554700000000, 0.0004800300000000, 0.0006420900000000 ] - [ -0.0006019900000000, -0.0001989800000000, -0.0011402300000000 ] - [ -0.0025360300000000, 0.0022169200000000, 0.0042838200000000 ] - [ 0.0013227100000000, -0.0000131100000000, -0.0021978100000000 ] - [ -0.0000222400000000, -0.0000026900000000, -0.0014117300000000 ] - [ -0.0000750700000000, 0.0001483800000000, 0.0026958000000000 ] - [ 0.0000598800000000, -0.0000240000000000, -0.0003345000000000 ] - [ -0.0006805900000000, 0.0011788100000000, -0.0019372600000000 ] - [ 0.0003306200000000, -0.0000136600000000, -0.0012876200000000 ] - [ 0.0003565000000000, -0.0003780000000000, -0.0011344900000000 ] - [ 0.0008275800000000, 0.0002476800000000, 0.0002799100000000 ] - [ -0.0013789900000000, 0.0023884700000000, 0.7111621200000000 ] - [ -0.0055347300000000, 0.0095864400000000, 0.0074832200000000 ] - [ -0.0001643700000000, -0.0003035100000000, -0.0029854900000000 ] - [ -0.0026291100000000, 0.0000407500000000, -0.0033050300000000 ] - [ 0.0003536500000000, 0.0002284200000000, -0.0030432100000000 ] - [ 0.0012792600000000, 0.0022972500000000, -0.0033050300000000 ] - [ -0.0022379200000000, 0.0038761900000000, -0.0015854600000000 ] - [ -0.0001474300000000, 0.0002553600000000, -0.0034981000000000 ] - [ 0.0000974000000000, 0.0001916800000000, -0.0015432300000000 ] - [ -0.0002147000000000, 0.0000114800000000, -0.0015432300000000 ] - [ -0.0003746400000000, -0.0001920600000000, -0.0030432100000000 ] - [ 0.0003450400000000, -0.0000094100000000, -0.0029854900000000 ] - [ 0.0002859700000000, -0.0004953200000000, -0.0104355100000000 ] - [ 0.0000773200000000, 0.0000458900000000, 0.0056458500000000 ] - [ -0.0000784000000000, -0.0000440200000000, 0.0056458500000000 ] - [ 0.0000241800000000, -0.0000418800000000, -0.0030572100000000 ] - [ -0.0054876500000000, -0.0095432800000000, 0.0074745800000000 ] - [ 0.0034122400000000, 0.0000117800000000, -0.0006225500000000 ] - [ -0.0017163200000000, -0.0029492000000000, -0.0006225500000000 ] - [ 0.0009100000000000, -0.0015761600000000, -0.0021979100000000 ] - [ 0.0110085500000000, -0.0000191900000000, 0.0074745800000000 ] - [ 0.0025479000000000, -0.0000070000000000, -0.0021670600000000 ] - [ -0.0012678800000000, -0.0022100500000000, -0.0021670600000000 ] - [ -0.0008635300000000, 0.0014956800000000, -0.0028556200000000 ] - [ -0.0004706400000000, 0.0008151800000000, 0.0011881400000000 ] - [ 0.0004923000000000, -0.0024263900000000, -0.0008805600000000 ] - [ -0.0004700600000000, -0.0002047800000000, -0.0015472100000000 ] - [ -0.0022953100000000, 0.0000168400000000, -0.0001974200000000 ] - [ 0.0000466800000000, 0.0000406300000000, 0.0008169800000000 ] - [ -0.0001722800000000, -0.0002522900000000, 0.0010342000000000 ] - [ 0.0003046300000000, 0.0000230500000000, 0.0010342000000000 ] - [ 0.0000378900000000, -0.0000461500000000, 0.0008546100000000 ] - [ -0.0005747300000000, 0.0009954600000000, 0.0009440600000000 ] - [ 0.0000763700000000, -0.0000091400000000, 0.0009034400000000 ] - [ 0.0002265600000000, -0.0004093200000000, -0.0015727000000000 ] - [ 0.0020086300000000, -0.0020251900000000, 0.0014811900000000 ] - [ -0.0012332000000000, -0.0004293300000000, 0.0001296500000000 ] - [ -0.0001497900000000, 0.0002363800000000, 0.0007435800000000 ] - [ -0.0000486100000000, -0.0000870800000000, -0.0035978300000000 ] - [ 0.0002777300000000, 0.0000714600000000, 0.0007436000000000 ] - [ 0.0009884100000000, 0.0008533200000000, 0.0001296500000000 ] - [ -0.0009230800000000, 0.0002251400000000, 0.0010161600000000 ] - [ 0.0000869100000000, 0.0001632500000000, 0.0004912200000000 ] - [ -0.0004274300000000, 0.0004114200000000, -0.0015492100000000 ] - [ -0.0001699700000000, 0.0002944000000000, 0.0010180900000000 ] - [ -0.0002654700000000, -0.0000933700000000, 0.0017814300000000 ] - [ -0.0001680600000000, -0.0002271000000000, 0.0007863800000000 ] - [ -0.0000553300000000, 0.0000958300000000, 0.0081505200000000 ] - [ 0.0047338800000000, -0.0081993200000000, 0.0001014100000000 ] - [ 0.0008402400000000, -0.0014553400000000, -0.3483994400000000 ] - [ -0.0001961600000000, 0.0000033000000000, 0.0019806600000000 ] - [ 0.0002412100000000, -0.0004008600000000, -0.0015727000000000 ] - [ -0.0002518300000000, -0.0004539000000000, 0.0028898000000000 ] - [ 0.0018577500000000, 0.0014691600000000, -0.0012587400000000 ] - [ 0.0002665600000000, 0.0009119800000000, 0.0010161600000000 ] - [ -0.0000761100000000, -0.0000336800000000, 0.0004218900000000 ] - [ -0.0001298200000000, 0.0002479100000000, 0.0007435800000000 ] - [ 0.0014146100000000, 0.0000987000000000, 0.0027380700000000 ] - [ -0.0007927800000000, -0.0011757400000000, 0.0027380700000000 ] - [ 0.0002807100000000, 0.0000319900000000, 0.0007863800000000 ] - [ 0.0004123700000000, 0.0003046900000000, -0.0015472100000000 ] - [ 0.0006665700000000, 0.0009971900000000, -0.0058253000000000 ] - [ -0.0000292500000000, 0.0000506700000000, 0.0010931800000000 ] - [ 0.0006159200000000, 0.0010850800000000, 0.0005611500000000 ] - [ -0.0000585300000000, -0.0000201100000000, 0.0008169800000000 ] - [ 0.0429982600000000, -0.0744751700000000, -0.1169823800000000 ] - [ -0.0093243000000000, 0.0000348400000000, 0.0006480500000000 ] - [ 0.0000586600000000, -0.0001997100000000, 0.0004919400000000 ] - [ -0.0000742100000000, 0.0002800300000000, 0.0007826000000000 ] - [ 0.0018551600000000, -0.0016395400000000, -0.0008805600000000 ] - [ 0.0006258500000000, -0.0010840000000000, -0.0001768800000000 ] - [ 0.0000575200000000, -0.0000996400000000, 0.0017914100000000 ] - [ 0.0011330700000000, 0.0019962200000000, -0.0001974200000000 ] - [ 0.0002135900000000, 0.0001832200000000, 0.0017814300000000 ] - [ -0.0015866100000000, 0.0002314500000000, 0.0004321500000000 ] - [ 0.0000210200000000, -0.0000558900000000, 0.0008546100000000 ] - [ -0.0007706800000000, 0.0013348500000000, 0.0025317000000000 ] - [ 0.0010169800000000, 0.0012892400000000, 0.0004329200000000 ] - [ 0.0000952200000000, 0.0001715200000000, 0.0019806600000000 ] - [ 0.0003791600000000, -0.0006567200000000, 0.0010881100000000 ] - [ 0.0007495500000000, -0.0027521200000000, 0.0014811900000000 ] - [ 0.0005756800000000, -0.0001387800000000, 0.0011540500000000 ] - [ -0.0021164000000000, 0.0009957600000000, -0.0008622000000000 ] - [ 0.0438835000000000, 0.0746453500000000, -0.1172760100000000 ] - [ -0.0001676500000000, -0.0005679400000000, 0.0011540500000000 ] - [ 0.0000672200000000, 0.0000490700000000, 0.0004218900000000 ] - [ -0.0011968800000000, -0.0000786700000000, -0.0058253000000000 ] - [ 0.0000997200000000, -0.0000014400000000, -0.0035978300000000 ] - [ -0.0022012000000000, -0.0008742800000000, -0.0012587400000000 ] - [ 0.0005190100000000, -0.0000088600000000, 0.0028898000000000 ] - [ 0.0003070000000000, -0.0012660500000000, 0.0001273000000000 ] - [ -0.0006384400000000, -0.0011150200000000, 0.0012633900000000 ] - [ 0.0001436200000000, -0.0001506600000000, 0.0004919400000000 ] - [ -0.0002007500000000, -0.0002048000000000, 0.0007436000000000 ] - [ 0.0012848600000000, -0.0000046100000000, 0.0012633900000000 ] - [ -0.0002054100000000, 0.0002042800000000, 0.0007826000000000 ] - [ 0.0009429300000000, -0.0008989000000000, 0.0001273000000000 ] - [ -0.0016250000000000, -0.0002361100000000, 0.0004329200000000 ] - [ -0.0865865200000000, -0.0006815500000000, -0.1172760100000000 ] - [ 0.0005928600000000, 0.0014897700000000, 0.0004321500000000 ] - [ -0.0000302700000000, -0.0000707100000000, 0.0009034400000000 ] - [ 0.0000095000000000, -0.0000164600000000, 0.0020381900000000 ] - [ -0.0001848300000000, 0.0000063600000000, 0.0004912200000000 ] - [ 0.0046319800000000, 0.0080925000000000, 0.0006480500000000 ] - [ -0.0012476600000000, 0.0000091400000000, 0.0005611500000000 ] - [ -0.0001425800000000, 0.0005758800000000, -0.0015492100000000 ] - [ 0.0005508500000000, -0.0009540900000000, -0.0057691200000000 ] - [ 0.0001958400000000, 0.0023307400000000, -0.0008622000000000 ] - [ 0.0000490200000000, -0.0000849000000000, 0.0019291800000000 ] - [ 0.0025008600000000, -0.0001090700000000, -0.0002462900000000 ] - [ -0.0001342400000000, 0.0002325100000000, 0.0011417400000000 ] - [ -0.0005755300000000, -0.0005834800000000, 0.0009114000000000 ] - [ -0.0000870400000000, 0.0001507500000000, 0.0070673800000000 ] - [ 0.0002200000000000, -0.0000008000000000, 0.0011110200000000 ] - [ -0.0000466000000000, 0.0000104600000000, 0.0000085800000000 ] - [ 0.0007930700000000, 0.0002066800000000, 0.0009114000000000 ] - [ 0.0000235700000000, 0.0000406800000000, 0.0006932500000000 ] - [ 0.0000124700000000, 0.0000238700000000, 0.0005935700000000 ] - [ -0.0000470100000000, -0.0000000800000000, 0.0006932500000000 ] - [ 0.0000142500000000, 0.0000455800000000, 0.0000085800000000 ] - [ -0.0000269100000000, 0.0000011300000000, 0.0005935700000000 ] - [ -0.0001915400000000, 0.0003317500000000, 0.0008700200000000 ] - [ 0.0000043600000000, -0.0000075600000000, 0.0010381500000000 ] - [ -0.0011559700000000, -0.0022203400000000, -0.0002462900000000 ] - [ -0.0001093100000000, -0.0001909200000000, 0.0011110200000000 ] - [ -0.0013431900000000, 0.0023264700000000, -0.0001192300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013454300000000, -0.0001884500000000, 0.0009312300000000 ] - [ 0.0007130600000000, -0.0016958300000000, 0.0002803200000000 ] - [ -0.0019431600000000, -0.0005996000000000, -0.0015242800000000 ] - [ 0.0008715800000000, 0.0017251900000000, 0.0003590000000000 ] - [ -0.0002162800000000, 0.0002187300000000, -0.0002367100000000 ] - [ -0.0002206800000000, -0.0001848600000000, -0.0000439300000000 ] - [ 0.0002783900000000, -0.0000743900000000, -0.0000369800000000 ] - [ -0.0001431300000000, -0.0002639800000000, -0.0002144100000000 ] - [ -0.0003249400000000, 0.0001835300000000, 0.0003186800000000 ] - [ 0.0000052300000000, 0.0001692800000000, 0.0000295900000000 ] - [ 0.0078777000000000, 0.0062222200000000, 0.0000262100000000 ] - [ 0.0000327400000000, -0.0001872900000000, -0.0000913700000000 ] - [ 0.0000729400000000, 0.0002053600000000, -0.0002955400000000 ] - [ -0.0002564800000000, -0.0001447900000000, 0.0005000600000000 ] - [ 0.0002584000000000, 0.0000101400000000, -0.0001541800000000 ] - [ 0.0107383700000000, -0.0100798100000000, -0.0013646800000000 ] - [ -0.0039580900000000, 0.0042322900000000, 0.0011666000000000 ] - [ -0.0033729500000000, -0.0047494900000000, 0.0008204300000000 ] - [ 0.0022773200000000, -0.0008191500000000, 0.0011335500000000 ] - [ -0.0001744200000000, 0.0005057900000000, -0.0010117900000000 ] - [ 0.0001365600000000, 0.0000007200000000, 0.0000703200000000 ] - [ 0.0034515000000000, 0.0001587400000000, 0.0126194500000000 ] - [ -0.0020560600000000, 0.0006709100000000, -0.0017383200000000 ] - [ 0.0005356500000000, -0.0008963600000000, -0.0001524000000000 ] - [ 0.0011104800000000, 0.0011562000000000, -0.0002717300000000 ] - [ -0.0001973900000000, -0.0004829300000000, -0.0010049200000000 ] - [ 0.0000815700000000, -0.0003008500000000, -0.0001124000000000 ] - [ -0.0001225200000000, -0.0001935900000000, 0.0004200800000000 ] - [ 0.0006703300000000, 0.0010715100000000, -0.0001628100000000 ] - [ -0.0000416600000000, 0.0002520400000000, 0.0004130400000000 ] - [ 0.0004137300000000, 0.0000757300000000, -0.0000113000000000 ] - [ 0.0002964600000000, -0.0000600200000000, -0.0002365500000000 ] - [ 0.0002496200000000, -0.0000798000000000, 0.0004610400000000 ] - [ -0.0003411200000000, -0.0000621800000000, -0.0002420800000000 ] - [ 0.0001368200000000, 0.0000513700000000, -0.0000754900000000 ] - [ 0.0075633500000000, -0.0059046900000000, 0.0000379100000000 ] - [ -0.0002927600000000, 0.0003043100000000, -0.0000152900000000 ] - [ -0.0000753700000000, 0.0002527600000000, -0.0001354800000000 ] - [ -0.0000710900000000, -0.0002971800000000, 0.0000606800000000 ] - [ 0.0002527700000000, 0.0001049400000000, -0.0003326400000000 ] - [ -0.0002167600000000, -0.0000448400000000, -0.0004201700000000 ] - [ 0.0042159000000000, -0.0000626100000000, -0.0003860600000000 ] - [ -0.0000031100000000, -0.0003264300000000, 0.0007500700000000 ] - [ -0.0001233600000000, 0.0002415600000000, -0.0000044800000000 ] - [ -0.0001567800000000, -0.0011756400000000, -0.0004546800000000 ] - [ -0.0003080200000000, -0.0001385900000000, 0.0042168800000000 ] - [ -0.0001065500000000, 0.0003918100000000, 0.0005727800000000 ] - [ -0.0013645900000000, 0.0024122900000000, -0.0061223800000000 ] - [ -0.0003202700000000, 0.0011435900000000, -0.0004847500000000 ] - [ -0.0002984300000000, 0.0000633400000000, -0.0002512300000000 ] - [ 0.0002401800000000, -0.0001989400000000, -0.0001437500000000 ] - [ -0.0004534400000000, 0.0005345500000000, -0.0001088800000000 ] - [ 0.0114457300000000, 0.0094843700000000, -0.0005165900000000 ] - [ -0.0000524400000000, 0.0001290600000000, -0.0000956500000000 ] - [ -0.0002537800000000, -0.0004530500000000, -0.0000180700000000 ] - [ 0.0010553600000000, -0.0012117000000000, -0.0005394200000000 ] - [ -0.0001240500000000, -0.0002328200000000, 0.0000000600000000 ] - [ 0.0010989100000000, 0.0003306600000000, 0.0009241500000000 ] - [ 0.0022865800000000, 0.0008564500000000, 0.0013452900000000 ] - [ -0.0010746600000000, -0.0026530400000000, -0.0059053300000000 ] - [ 0.0011094900000000, -0.0000369900000000, -0.0002700100000000 ] - [ -0.0002480300000000, -0.0001651900000000, -0.0001503000000000 ] - [ 0.0003087500000000, 0.0001341000000000, 0.0002876200000000 ] - [ -0.0000565300000000, -0.0015204000000000, 0.0057995000000000 ] - [ -0.7300235400000000, 0.0012853500000000, -0.0087527800000000 ] - [ 0.0002641400000000, 0.0000013100000000, -0.0001349800000000 ] - [ -0.0076206100000000, 0.0090686200000000, 0.0015538100000000 ] - [ 0.0008911500000000, 0.0005274200000000, 0.0000016800000000 ] - [ 0.0078155500000000, -0.0000403800000000, -0.0046247600000000 ] - [ -0.0002785500000000, -0.0004659400000000, 0.0001773200000000 ] - [ -0.0000620200000000, -0.0001061600000000, 0.0000399900000000 ] - [ 0.0002442500000000, 0.0002242100000000, -0.0007805900000000 ] - [ -0.0002761600000000, 0.0001010800000000, 0.0000403300000000 ] - [ 0.0004727200000000, -0.0002561400000000, -0.0001103300000000 ] - [ -0.0001246000000000, 0.0002276000000000, 0.0002032600000000 ] - [ 0.0000499200000000, -0.0002918400000000, 0.0000400700000000 ] - [ -0.0001008000000000, 0.0015011700000000, 0.0057847900000000 ] - [ 0.0025151200000000, 0.0000769700000000, -0.0107791300000000 ] - [ -0.0013651500000000, -0.0003122200000000, -0.0001486400000000 ] - [ 0.0034852200000000, -0.0032263000000000, 0.0000996200000000 ] - [ -0.0002224500000000, 0.0003823000000000, -0.0009924300000000 ] - [ 0.0004560600000000, -0.0000014400000000, 0.0011054000000000 ] - [ -0.0047405300000000, -0.0063152600000000, 0.0037204600000000 ] - [ 0.0034143400000000, 0.0031836500000000, 0.0000093300000000 ] - [ 0.0012067400000000, -0.0031500500000000, 0.0007834600000000 ] - [ -0.0042285800000000, -0.0000192900000000, -0.0019163400000000 ] - [ 0.0009398000000000, 0.0023161300000000, 0.0010859400000000 ] - [ -0.0001072100000000, 0.0023411300000000, -0.0007746900000000 ] - [ 0.1458402100000000, 0.1020145700000000, -0.0414341100000000 ] - [ -0.0005354600000000, -0.0003866200000000, -0.0010079700000000 ] - [ 0.0001671400000000, -0.0002692800000000, 0.0011385200000000 ] - [ 0.0000375600000000, 0.0001134900000000, -0.0001802900000000 ] - [ -0.0003594300000000, -0.0001641700000000, -0.0000998300000000 ] - [ -0.0005866400000000, -0.0001136500000000, -0.0000371900000000 ] - [ 0.0000385200000000, 0.0001456800000000, -0.0001984100000000 ] - [ 0.0018073500000000, 0.0034033600000000, -0.0022433800000000 ] - [ 0.0000683000000000, -0.0000551100000000, -0.0000080000000000 ] - [ 0.0004495900000000, -0.0011065400000000, -0.0010899700000000 ] - [ 0.0006828200000000, 0.0002501100000000, 0.0006043200000000 ] - [ -0.0051696700000000, -0.0000563800000000, -0.0008180600000000 ] - [ 0.0001683700000000, -0.0002763500000000, -0.0004449800000000 ] - [ -0.0047125600000000, -0.0001377400000000, 0.0074554300000000 ] - [ -0.0003696300000000, 0.0000139800000000, -0.0002679000000000 ] - [ 0.0010147500000000, -0.0021867200000000, -0.0003139100000000 ] - [ 0.0032414300000000, 0.0002759000000000, -0.0002517600000000 ] - [ 0.0001888000000000, 0.0002203400000000, -0.0001831900000000 ] - [ 0.0007637700000000, 0.0000981200000000, 0.0026937200000000 ] - [ 0.0000064500000000, 0.0001049300000000, -0.0000786700000000 ] - [ -0.0005364500000000, -0.0001900900000000, -0.0002225500000000 ] - [ 0.0005764000000000, 0.0006116100000000, -0.0002505200000000 ] - [ 0.0000040800000000, 0.0000885200000000, -0.0000077600000000 ] - [ 0.1449283900000000, -0.1015140300000000, -0.0429034700000000 ] - [ -0.0007786900000000, 0.0022475800000000, -0.0038382700000000 ] - [ 0.0000320000000000, -0.0000554100000000, -0.0000599900000000 ] - [ -0.0015926100000000, 0.0021178300000000, 0.0027152600000000 ] - [ -0.0012522200000000, 0.0000102700000000, 0.0032338800000000 ] - [ -0.0026345300000000, -0.0001297000000000, -0.0005800300000000 ] - [ 0.0009564000000000, 0.0043680600000000, -0.0013900600000000 ] - [ -0.0001335700000000, -0.0000479400000000, -0.0002275700000000 ] - [ 0.0000042700000000, -0.0001255900000000, -0.0001766600000000 ] - [ -0.0002868500000000, 0.0000430300000000, -0.0001834300000000 ] - [ 0.0001805700000000, 0.0003241900000000, -0.0002065700000000 ] - [ 0.0013366400000000, 0.0000621200000000, -0.0000946900000000 ] - [ -0.0016598500000000, -0.0020538900000000, 0.0027113300000000 ] - [ -0.0007608200000000, 0.0004955500000000, -0.0002280600000000 ] - [ 0.0006359400000000, -0.0005425900000000, -0.0001346900000000 ] - [ -0.0003703300000000, -0.0003216900000000, -0.0002113600000000 ] - [ -0.0000681600000000, -0.0000512100000000, -0.0003578700000000 ] - [ 0.0003004800000000, 0.0003072900000000, -0.0010329100000000 ] - [ -0.0025316300000000, 0.0002334300000000, -0.0000668600000000 ] - [ 0.0000164800000000, -0.0001464800000000, 0.0000083900000000 ] - [ -0.0003313700000000, 0.0002236100000000, -0.0003059200000000 ] - [ 0.3391595100000000, -0.0010112000000000, 0.0911295700000000 ] - [ -0.0000853900000000, 0.0007321300000000, 0.0005978900000000 ] - [ 0.0029141100000000, 0.0000823100000000, -0.0000814800000000 ] - [ -0.0003066500000000, -0.0000005700000000, -0.0006803100000000 ] - [ -0.0003112100000000, 0.0000448200000000, -0.0001364100000000 ] - [ 0.0001226300000000, -0.0002292900000000, 0.0003481800000000 ] - [ -0.0005885000000000, 0.0000379900000000, -0.0002495400000000 ] - [ 0.0001063000000000, -0.0000893100000000, -0.0002271300000000 ] - [ 0.0001487900000000, 0.0000032100000000, -0.0002107600000000 ] - [ -0.0000646700000000, 0.0000007300000000, 0.0000530200000000 ] - [ 0.0000475600000000, 0.0000804700000000, -0.0003165900000000 ] - [ -0.0001233000000000, -0.0002038900000000, 0.0003894000000000 ] - [ 0.0000916300000000, 0.0000467700000000, -0.0000755600000000 ] - [ -0.0001748000000000, -0.0015416700000000, 0.0002067900000000 ] - [ 0.0006765700000000, 0.0009782000000000, -0.0010816200000000 ] - [ 0.0000063900000000, 0.0000199400000000, -0.0001075000000000 ] - [ -0.0000587900000000, -0.0000075800000000, -0.0000398600000000 ] - [ -0.0008903500000000, -0.0005737200000000, -0.0002486600000000 ] - [ -0.0007163000000000, -0.0022075000000000, -0.0038262100000000 ] - [ -0.0026790700000000, -0.0022764200000000, 0.0003844600000000 ] - [ 0.0014715700000000, -0.0016129000000000, -0.0004179600000000 ] - [ -0.0032710900000000, 0.0000740500000000, 0.0022433800000000 ] - [ -0.0032133800000000, -0.0000151800000000, 0.0021854000000000 ] - [ 0.0001814900000000, -0.0003241900000000, -0.0002061800000000 ] - [ 0.0000562400000000, 0.0000489900000000, -0.0003590400000000 ] - [ 0.0035176200000000, -0.0003668400000000, 0.0009177400000000 ] - [ -0.0000935800000000, -0.0002527100000000, -0.0002194200000000 ] - [ 0.0017015000000000, -0.0079520700000000, -0.0045886600000000 ] - [ 0.0001361600000000, -0.0001293900000000, 0.0003411200000000 ] - [ -0.0005723800000000, 0.0002584200000000, -0.0010447300000000 ] - [ -0.0003844700000000, 0.0003195500000000, -0.0002100000000000 ] - [ -0.0000859400000000, -0.0000386100000000, 0.0006878500000000 ] - [ 0.0000662900000000, 0.0000979600000000, -0.0003487100000000 ] - [ -0.0002199200000000, -0.0000115600000000, -0.0000153900000000 ] - [ -0.0003655500000000, 0.0016868200000000, 0.0001757200000000 ] - [ 0.0000514400000000, -0.0001602100000000, 0.0003376600000000 ] - [ 0.0002103300000000, -0.0002198400000000, -0.0010597500000000 ] - [ 0.0860347600000000, 0.0000886700000000, 0.0018021600000000 ] - [ -0.0028066700000000, 0.0021986400000000, 0.0007849400000000 ] - [ 0.0000689700000000, 0.0007837300000000, 0.0008835500000000 ] - [ -0.0004357000000000, -0.0003943100000000, 0.0001082900000000 ] - [ 0.0000983300000000, -0.0000084200000000, 0.0000783000000000 ] - [ -0.0003116200000000, 0.0000144100000000, 0.0001681300000000 ] - [ -0.0016666600000000, 0.0033928200000000, 0.0012337200000000 ] - [ -0.0000537200000000, -0.0000064700000000, 0.0000741800000000 ] - [ -0.0019450500000000, -0.0036182700000000, 0.0013468900000000 ] - [ 0.0000349000000000, 0.0001955800000000, 0.0001647300000000 ] - [ -0.0013316700000000, 0.0000108700000000, -0.0017788200000000 ] - [ -0.0000742000000000, 0.0000265300000000, -0.0006648300000000 ] - [ -0.0000105700000000, -0.0008101000000000, 0.0008572800000000 ] - [ -0.0081075900000000, -0.0000191400000000, -0.0025678100000000 ] - [ 0.0000566500000000, -0.0000754200000000, -0.0002113900000000 ] - [ 0.0002927500000000, -0.0001943500000000, 0.0001667700000000 ] - [ 0.0000351400000000, 0.0000966500000000, -0.0002131500000000 ] - [ -0.0002460500000000, 0.0002536600000000, 0.0000902400000000 ] - [ -0.0000567500000000, -0.0000087800000000, 0.0000767800000000 ] - [ 0.0004208700000000, 0.0000835900000000, 0.0000910800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012959600000000, 0.0006198500000000, -0.0005030700000000 ] - [ -0.0008251400000000, 0.0019238000000000, 0.0000547900000000 ] - [ 0.0018820500000000, 0.0006877300000000, 0.0018112300000000 ] - [ -0.0008529400000000, -0.0020024600000000, -0.0001205900000000 ] - [ -0.0000354300000000, 0.0002306500000000, -0.0002131200000000 ] - [ -0.0000013700000000, -0.0001984400000000, 0.0000338600000000 ] - [ 0.0001751700000000, 0.0000776000000000, 0.0000252100000000 ] - [ -0.0001183100000000, -0.0001884500000000, -0.0002313400000000 ] - [ 0.0002018300000000, 0.0000555200000000, -0.0001916200000000 ] - [ -0.0002389500000000, 0.0002216000000000, -0.0000420600000000 ] - [ -0.0079255200000000, -0.0060190400000000, 0.0002036100000000 ] - [ -0.0001714700000000, -0.0002511200000000, -0.0001651300000000 ] - [ -0.0002711300000000, -0.0006118200000000, -0.0002886300000000 ] - [ 0.0002888200000000, -0.0000109800000000, 0.0000034000000000 ] - [ 0.0001726000000000, -0.0001175300000000, -0.0001089000000000 ] - [ -0.0107713500000000, 0.0097958200000000, 0.0017154900000000 ] - [ 0.0042233500000000, -0.0042200800000000, -0.0008318300000000 ] - [ 0.0036315600000000, 0.0049143900000000, -0.0005866900000000 ] - [ -0.0023159600000000, 0.0011151900000000, -0.0010266900000000 ] - [ -0.0000147700000000, -0.0000796800000000, 0.0004311700000000 ] - [ 0.0003174000000000, -0.0000069400000000, -0.0000850000000000 ] - [ -0.0031622100000000, -0.0000387400000000, -0.0124557900000000 ] - [ 0.0020987400000000, -0.0010867800000000, 0.0021707600000000 ] - [ -0.0004202200000000, 0.0008998000000000, 0.0004407900000000 ] - [ -0.0008282700000000, -0.0011573100000000, 0.0008585200000000 ] - [ -0.0000500800000000, 0.0001109400000000, 0.0004247300000000 ] - [ -0.0001873900000000, 0.0005017900000000, -0.0002171500000000 ] - [ -0.0000279000000000, 0.0001423400000000, 0.0000831000000000 ] - [ -0.0003338500000000, -0.0008125700000000, 0.0006000800000000 ] - [ 0.0000589200000000, -0.0000945500000000, 0.0000854500000000 ] - [ 0.0003349000000000, -0.0000879900000000, 0.0000518100000000 ] - [ 0.0002180200000000, 0.0000666600000000, -0.0002131000000000 ] - [ -0.0001218300000000, 0.0001749200000000, 0.0000368200000000 ] - [ 0.0004676900000000, -0.0000454700000000, 0.0007379400000000 ] - [ 0.0003013000000000, 0.0000532900000000, -0.0001892200000000 ] - [ -0.0078684300000000, 0.0058641300000000, 0.0001989100000000 ] - [ -0.0000905100000000, 0.0003371500000000, 0.0000541400000000 ] - [ -0.0000524600000000, 0.0001778000000000, -0.0001287000000000 ] - [ -0.0003072600000000, -0.0003564500000000, -0.0000239900000000 ] - [ -0.0003815000000000, -0.0003249500000000, 0.0004610400000000 ] - [ 0.0006860800000000, 0.0000884400000000, -0.0001663400000000 ] - [ -0.0039940200000000, -0.0001202300000000, 0.0006274400000000 ] - [ -0.0001074000000000, 0.0001422900000000, -0.0010887800000000 ] - [ -0.0001011300000000, 0.0001528500000000, -0.0000076000000000 ] - [ 0.0001247700000000, 0.0008636200000000, 0.0005479100000000 ] - [ 0.0006454000000000, -0.0001108800000000, -0.0038278400000000 ] - [ -0.0001839800000000, -0.0000284600000000, -0.0011563800000000 ] - [ 0.0011514100000000, -0.0026057200000000, 0.0062359100000000 ] - [ 0.0000834800000000, -0.0009605100000000, 0.0005864900000000 ] - [ 0.0005254800000000, -0.0000518700000000, -0.0000804600000000 ] - [ -0.0003982200000000, 0.0002548400000000, 0.0006391600000000 ] - [ 0.0000663400000000, -0.0003658800000000, 0.0005434400000000 ] - [ -0.0116242800000000, -0.0092973400000000, 0.0007758200000000 ] - [ -0.0002566100000000, 0.0001911100000000, -0.0001682700000000 ] - [ 0.0001885000000000, 0.0003419600000000, 0.0002990400000000 ] - [ -0.0007801500000000, 0.0011039200000000, 0.0006436600000000 ] - [ -0.0000969000000000, -0.0001527900000000, -0.0000082700000000 ] - [ -0.0015034900000000, -0.0005127400000000, -0.0004982300000000 ] - [ -0.0024345500000000, -0.0010965900000000, -0.0007588800000000 ] - [ 0.0009745900000000, 0.0029132200000000, 0.0065117100000000 ] - [ -0.0006550800000000, -0.0000295800000000, -0.0003085300000000 ] - [ -0.0000622700000000, -0.0001735400000000, -0.0001056200000000 ] - [ -0.0000389900000000, -0.0001235700000000, -0.0001618400000000 ] - [ 0.0001168600000000, 0.0014282500000000, -0.0052104800000000 ] - [ 0.7093377600000000, -0.0010362200000000, -0.0055524700000000 ] - [ -0.0002555600000000, -0.0000062400000000, 0.0002931500000000 ] - [ 0.0075868900000000, -0.0090774000000000, -0.0025620100000000 ] - [ -0.0006128100000000, -0.0000354400000000, -0.0000964400000000 ] - [ -0.0078437100000000, 0.0000411200000000, 0.0036636800000000 ] - [ 0.0002769700000000, 0.0004670000000000, 0.0007260600000000 ] - [ 0.0000605400000000, 0.0001078900000000, -0.0007229400000000 ] - [ -0.0000092300000000, 0.0001860600000000, 0.0003014100000000 ] - [ -0.0001890700000000, -0.0001017300000000, -0.0005226200000000 ] - [ -0.0010422100000000, 0.0002522200000000, 0.0000157100000000 ] - [ 0.0001154900000000, -0.0002250300000000, -0.0000477100000000 ] - [ 0.0001825200000000, -0.0001108400000000, -0.0005228700000000 ] - [ 0.0000059500000000, -0.0014994500000000, -0.0051962600000000 ] - [ -0.0024608200000000, 0.0000197600000000, 0.0113202700000000 ] - [ 0.0016513900000000, -0.0001779600000000, 0.0000210200000000 ] - [ -0.0033649900000000, 0.0032016200000000, 0.0001410800000000 ] - [ 0.0002363400000000, -0.0003913300000000, 0.0003968800000000 ] - [ -0.0004686500000000, 0.0000103200000000, -0.0017192600000000 ] - [ 0.0047141600000000, 0.0063436100000000, -0.0030296900000000 ] - [ -0.0034923900000000, -0.0032768900000000, 0.0002329500000000 ] - [ -0.0011955500000000, 0.0031394300000000, -0.0010255500000000 ] - [ 0.0042709600000000, 0.0000161400000000, 0.0017012900000000 ] - [ -0.0009272600000000, -0.0023091200000000, -0.0007624500000000 ] - [ 0.0002329100000000, -0.0025540800000000, 0.0010308600000000 ] - [ -0.1462960600000000, -0.1060735300000000, 0.0437989900000000 ] - [ 0.0011542100000000, 0.0003842300000000, 0.0014351300000000 ] - [ -0.0001668500000000, 0.0002680200000000, -0.0000693700000000 ] - [ 0.0001585200000000, 0.0001609100000000, -0.0004674400000000 ] - [ 0.0005174400000000, 0.0004342800000000, 0.0000078600000000 ] - [ 0.0002826000000000, 0.0001229900000000, -0.0000537600000000 ] - [ 0.0002314900000000, 0.0000082900000000, -0.0002983700000000 ] - [ -0.0017898000000000, -0.0034220900000000, 0.0014232100000000 ] - [ 0.0000140300000000, 0.0000508000000000, 0.0004619700000000 ] - [ -0.0009524400000000, 0.0014957000000000, 0.0014683200000000 ] - [ 0.0004278200000000, -0.0002443500000000, 0.0002023000000000 ] - [ 0.0035135800000000, 0.0000038300000000, -0.0001587200000000 ] - [ 0.0000340800000000, 0.0000004100000000, -0.0002023900000000 ] - [ 0.0045988700000000, -0.0000220100000000, -0.0076038400000000 ] - [ 0.0000289300000000, 0.0000225800000000, -0.0003812900000000 ] - [ -0.0001353600000000, 0.0036075600000000, -0.0006605600000000 ] - [ -0.0034650000000000, -0.0002869700000000, 0.0005101900000000 ] - [ 0.0000804400000000, 0.0002243800000000, -0.0000633500000000 ] - [ -0.0001950300000000, 0.0001433700000000, -0.0023034600000000 ] - [ -0.0001302200000000, 0.0001087700000000, 0.0000871800000000 ] - [ 0.0004049000000000, -0.0000434800000000, -0.0001541300000000 ] - [ -0.0005858700000000, -0.0003111500000000, -0.0002336700000000 ] - [ -0.0000496700000000, -0.0000192100000000, 0.0004615400000000 ] - [ -0.1456984400000000, 0.1054371900000000, 0.0444508600000000 ] - [ 0.0006759900000000, -0.0021039500000000, 0.0036487600000000 ] - [ -0.0000298600000000, 0.0000583700000000, 0.0000323600000000 ] - [ 0.0015194400000000, -0.0015031800000000, -0.0023265100000000 ] - [ 0.0012519200000000, -0.0000142500000000, -0.0016237100000000 ] - [ 0.0021919600000000, 0.0001433600000000, 0.0002398700000000 ] - [ -0.0008291900000000, -0.0041725500000000, 0.0016451200000000 ] - [ -0.0000787800000000, 0.0000396000000000, -0.0001075300000000 ] - [ 0.0001291200000000, -0.0001769000000000, -0.0004685500000000 ] - [ -0.0002343300000000, -0.0000369100000000, -0.0000625100000000 ] - [ 0.0000690000000000, 0.0001308800000000, -0.0000396900000000 ] - [ -0.0015913000000000, 0.0001028800000000, -0.0003939400000000 ] - [ 0.0013454300000000, 0.0015029700000000, -0.0022707500000000 ] - [ 0.0008940400000000, -0.0004830000000000, -0.0002906800000000 ] - [ -0.0004834400000000, 0.0002907800000000, 0.0000571500000000 ] - [ 0.0002925500000000, 0.0001778900000000, 0.0005371400000000 ] - [ -0.0002612800000000, 0.0000169400000000, -0.0002858700000000 ] - [ -0.0006251400000000, 0.0002344200000000, 0.0014580300000000 ] - [ 0.0021664600000000, 0.0000329500000000, 0.0006124500000000 ] - [ 0.0002410300000000, -0.0003300400000000, -0.0002560000000000 ] - [ 0.0006056900000000, -0.0003647600000000, -0.0001929100000000 ] - [ -0.3172928600000000, 0.0005497300000000, -0.0816332700000000 ] - [ -0.0004639200000000, 0.0002310900000000, 0.0002077800000000 ] - [ -0.0030536100000000, 0.0001597400000000, -0.0002652600000000 ] - [ 0.0003045600000000, -0.0000006600000000, 0.0017658700000000 ] - [ 0.0005861600000000, -0.0000347800000000, -0.0002368100000000 ] - [ -0.0002092000000000, 0.0003843600000000, -0.0000309800000000 ] - [ 0.0003276800000000, -0.0001967400000000, -0.0002466300000000 ] - [ -0.0000080100000000, -0.0000988200000000, -0.0001079300000000 ] - [ 0.0000241000000000, -0.0000008500000000, 0.0005327400000000 ] - [ 0.0000655800000000, 0.0000025000000000, -0.0000818800000000 ] - [ -0.0000453700000000, -0.0000773500000000, -0.0005578600000000 ] - [ -0.0004286400000000, -0.0007528000000000, 0.0004164000000000 ] - [ 0.0001574900000000, -0.0000473100000000, 0.0000839300000000 ] - [ 0.0006044300000000, 0.0013449400000000, 0.0003356400000000 ] - [ -0.0007513200000000, -0.0015985700000000, 0.0014602700000000 ] - [ -0.0001290700000000, -0.0002330900000000, 0.0001154200000000 ] - [ 0.0001606000000000, 0.0001830500000000, -0.0002941300000000 ] - [ 0.0008325200000000, 0.0004628400000000, -0.0002698500000000 ] - [ 0.0008818600000000, 0.0022043600000000, 0.0036365500000000 ] - [ 0.0029039900000000, 0.0026538000000000, -0.0007264500000000 ] - [ -0.0014684300000000, 0.0016096100000000, 0.0020578000000000 ] - [ 0.0041539000000000, -0.0014937500000000, -0.0032406500000000 ] - [ 0.0040153600000000, 0.0014755300000000, -0.0031820700000000 ] - [ 0.0000847200000000, -0.0001245900000000, -0.0000400000000000 ] - [ 0.0000835300000000, 0.0002598400000000, -0.0002883000000000 ] - [ -0.0051640200000000, 0.0004265500000000, -0.0018719800000000 ] - [ 0.0000898700000000, -0.0000554600000000, -0.0002770300000000 ] - [ -0.0008985800000000, 0.0064804600000000, 0.0036159500000000 ] - [ -0.0002228600000000, -0.0000111800000000, -0.0000200500000000 ] - [ 0.0011537400000000, -0.0005006200000000, 0.0014217200000000 ] - [ 0.0003019700000000, -0.0001874400000000, 0.0005374400000000 ] - [ 0.0000421400000000, -0.0000383000000000, -0.0002300500000000 ] - [ -0.0000686500000000, -0.0001042000000000, 0.0002746000000000 ] - [ -0.0003200600000000, -0.0000040900000000, -0.0002317400000000 ] - [ 0.0003117100000000, -0.0012171300000000, 0.0003656100000000 ] - [ 0.0001073200000000, 0.0001551200000000, -0.0000147400000000 ] - [ -0.0007190600000000, -0.0001571400000000, 0.0014345700000000 ] - [ -0.0859605400000000, 0.0000123400000000, -0.0005592500000000 ] - [ 0.0027483800000000, -0.0026263200000000, -0.0002429300000000 ] - [ -0.0000317000000000, -0.0008698800000000, -0.0009293100000000 ] - [ 0.0003202100000000, 0.0001915300000000, 0.0000899000000000 ] - [ -0.0001016100000000, -0.0000097100000000, 0.0000824000000000 ] - [ -0.0001466500000000, -0.0000079900000000, 0.0001695300000000 ] - [ 0.0016724600000000, -0.0034422400000000, -0.0011931900000000 ] - [ 0.0000513700000000, 0.0000017500000000, 0.0000837600000000 ] - [ 0.0018645300000000, 0.0036186300000000, -0.0013051800000000 ] - [ 0.0001987700000000, 0.0002082900000000, 0.0001713100000000 ] - [ 0.0013810300000000, 0.0000620500000000, 0.0017257700000000 ] - [ 0.0000929000000000, 0.0000025400000000, -0.0000387900000000 ] - [ -0.0000890200000000, 0.0008050000000000, -0.0009031800000000 ] - [ 0.0081468100000000, 0.0000645000000000, 0.0025934600000000 ] - [ -0.0000715400000000, 0.0000821100000000, -0.0004964600000000 ] - [ -0.0000588100000000, -0.0001998900000000, 0.0001702800000000 ] - [ -0.0000230300000000, -0.0001044300000000, -0.0004948500000000 ] - [ 0.0004828200000000, -0.0002479100000000, 0.0001063300000000 ] - [ 0.0000424100000000, -0.0000024800000000, 0.0000824600000000 ] - [ -0.0005373700000000, 0.0001235300000000, 0.0000964300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003814200000000, -0.0000628800000000, -0.0005674900000000 ] - [ -0.0001846400000000, 0.0003198100000000, -0.0022940300000000 ] - [ -0.0049939600000000, 0.0086497900000000, 0.0098367600000000 ] - [ -0.0002783000000000, -0.0006214500000000, -0.0020313200000000 ] - [ -0.0001581400000000, 0.0002739000000000, 0.0010948800000000 ] - [ -0.0002270700000000, -0.0003689900000000, 0.0014163700000000 ] - [ 0.0002147800000000, -0.0000019600000000, 0.0009947300000000 ] - [ -0.0000787600000000, -0.0001301000000000, 0.0007767200000000 ] - [ 0.0005241300000000, -0.0009078200000000, 0.0023438100000000 ] - [ -0.0000819200000000, 0.0002000400000000, 0.0009932500000000 ] - [ -0.0031526900000000, -0.0008712200000000, -0.0040138800000000 ] - [ -0.0000813700000000, -0.0002472800000000, 0.0008493400000000 ] - [ -0.0000729400000000, -0.0001925100000000, 0.0005480100000000 ] - [ 0.0005918800000000, 0.0010078300000000, 0.0025141600000000 ] - [ 0.0002548300000000, -0.0000531700000000, 0.0008493400000000 ] - [ 0.0020259700000000, -0.0021890500000000, -0.0044935300000000 ] - [ 0.0008827900000000, -0.0028490700000000, -0.0044935300000000 ] - [ 0.0008329000000000, 0.0034682300000000, -0.0039440200000000 ] - [ 0.0005652800000000, -0.0003213000000000, -0.0001781200000000 ] - [ -0.0005420000000000, -0.0000890400000000, 0.0007555700000000 ] - [ 0.0004330900000000, 0.0000121600000000, 0.0014163700000000 ] - [ 0.0057375400000000, 0.0000412200000000, 0.0050504600000000 ] - [ -0.0054176300000000, -0.0097094700000000, 0.0089876900000000 ] - [ -0.0004575500000000, 0.0000616200000000, -0.0004017400000000 ] - [ -0.0005705600000000, -0.0003109800000000, 0.0000347800000000 ] - [ -0.0006079400000000, 0.0001115500000000, 0.0007582600000000 ] - [ -0.0001214200000000, 0.0002103100000000, 0.0006465100000000 ] - [ -0.0000823100000000, -0.0002012200000000, 0.0008816700000000 ] - [ -0.0002531400000000, -0.0000274400000000, -0.0005664500000000 ] - [ -0.0000132800000000, 0.0002231900000000, 0.0008602900000000 ] - [ 0.0003594700000000, -0.0000234900000000, 0.0010317200000000 ] - [ 0.0001520500000000, 0.0000031600000000, 0.0007767200000000 ] - [ 0.0002154100000000, -0.0000293300000000, 0.0008816700000000 ] - [ -0.0011687500000000, -0.0000086700000000, 0.0025141600000000 ] - [ 0.0004186400000000, 0.0000406400000000, 0.0011699700000000 ] - [ -0.0034200200000000, 0.0010128000000000, -0.0039440200000000 ] - [ -0.0003002900000000, 0.0005201200000000, 0.0014157400000000 ] - [ -0.0000941600000000, 0.0002362900000000, 0.0008483100000000 ] - [ -0.0001594000000000, -0.0003230500000000, 0.0010317200000000 ] - [ -0.0001920900000000, -0.0001981900000000, 0.0006796100000000 ] - [ 0.0002073600000000, 0.0005822700000000, 0.0007582600000000 ] - [ 0.0006773400000000, -0.0000697000000000, -0.0020313200000000 ] - [ 0.0003819700000000, -0.0004491200000000, 0.0008232800000000 ] - [ -0.0001322800000000, 0.0001709700000000, 0.0009932500000000 ] - [ 0.0000958600000000, 0.0005983000000000, -0.0001801500000000 ] - [ 0.0111174600000000, -0.0001629300000000, 0.0089876900000000 ] - [ 0.0003481100000000, 0.0004248700000000, 0.0007555700000000 ] - [ -0.0029044700000000, -0.0049482400000000, 0.0050504600000000 ] - [ -0.0000043900000000, -0.0006502000000000, -0.0001781200000000 ] - [ 0.0001979700000000, -0.0005553600000000, 0.0008232800000000 ] - [ -0.0001866500000000, 0.0001230900000000, 0.0008602900000000 ] - [ -0.0001362600000000, -0.0003617500000000, -0.0005674900000000 ] - [ 0.0023308500000000, 0.0022947000000000, -0.0040138800000000 ] - [ -0.0001575500000000, 0.0001996800000000, 0.0008483100000000 ] - [ 0.0001754100000000, 0.0004270600000000, -0.0004017400000000 ] - [ -0.0005660700000000, 0.0002161300000000, -0.0001801500000000 ] - [ -0.0001056900000000, -0.0001869800000000, 0.0009947300000000 ] - [ 0.0001503400000000, 0.0002055100000000, -0.0005664500000000 ] - [ 0.0005546000000000, 0.0003386300000000, 0.0000347800000000 ] - [ -0.0029701500000000, 0.0051444500000000, 0.0054159700000000 ] - [ 0.0002031900000000, -0.0000330900000000, 0.0005480100000000 ] - [ -0.0002445200000000, -0.0003422300000000, 0.0011699700000000 ] - [ 0.0002676800000000, 0.0000672600000000, 0.0006796100000000 ] - [ 0.0056382300000000, -0.0097657100000000, -0.0070659400000000 ] - [ -0.0014657000000000, 0.0025386700000000, -0.7103974199999999 ] - [ -0.0002874000000000, 0.0000019200000000, 0.0032304200000000 ] - [ 0.0021767800000000, 0.0037935400000000, 0.0015486500000000 ] - [ 0.0001185000000000, 0.0002335500000000, 0.0012062600000000 ] - [ -0.0043736900000000, 0.0000116200000000, 0.0015486500000000 ] - [ -0.0013432100000000, 0.0023265100000000, 0.0032692200000000 ] - [ 0.0001684000000000, -0.0002916800000000, 0.0027303900000000 ] - [ -0.0001091100000000, 0.0001862600000000, 0.0028036500000000 ] - [ -0.0001067500000000, 0.0001876200000000, 0.0028036500000000 ] - [ -0.0002615100000000, 0.0000141500000000, 0.0012062600000000 ] - [ 0.0001420400000000, 0.0002498500000000, 0.0032304200000000 ] - [ 0.0002182000000000, -0.0003779400000000, 0.0027925400000000 ] - [ 0.0054578600000000, 0.0096277100000000, -0.0070573300000000 ] - [ -0.0110667700000000, 0.0000872100000000, -0.0070573300000000 ] - [ 0.0002974700000000, -0.0005152300000000, 0.0101286100000000 ] - [ 0.0001998900000000, 0.0000519400000000, -0.0050403300000000 ] - [ -0.0009322100000000, -0.0015689900000000, 0.0022469300000000 ] - [ 0.0018248900000000, 0.0000228200000000, 0.0022469300000000 ] - [ 0.0016723000000000, -0.0028965000000000, 0.0006690900000000 ] - [ -0.0001449200000000, -0.0001471400000000, -0.0050403300000000 ] - [ 0.0008397900000000, 0.0014506300000000, 0.0029084600000000 ] - [ -0.0016761800000000, -0.0000019700000000, 0.0029084600000000 ] - [ 0.0012546700000000, -0.0021731500000000, 0.0022256500000000 ] - [ -0.0005971600000000, 0.0010343100000000, -0.0002666000000000 ] - [ -0.0429448800000000, -0.0756361300000000, 0.1175372200000000 ] - [ -0.0017707300000000, -0.0015179400000000, 0.0013594200000000 ] - [ 0.0005893800000000, 0.0009918100000000, -0.0008512000000000 ] - [ 0.0004238100000000, 0.0004502000000000, -0.0014663100000000 ] - [ 0.0000930900000000, 0.0002176800000000, -0.0006804400000000 ] - [ -0.0002350600000000, 0.0000282200000000, -0.0006804400000000 ] - [ 0.0001858300000000, 0.0000800000000000, -0.0008576500000000 ] - [ -0.0011350200000000, 0.0019659100000000, 0.0003537200000000 ] - [ -0.0000963100000000, -0.0001901000000000, -0.0017829500000000 ] - [ -0.0005220200000000, -0.0023568700000000, 0.0012892400000000 ] - [ 0.0009726800000000, -0.0003995300000000, -0.0002253500000000 ] - [ 0.0009348100000000, -0.0000115200000000, 0.0000938700000000 ] - [ 0.0001892400000000, -0.0005916900000000, -0.0014722300000000 ] - [ 0.0011426800000000, -0.0001051800000000, 0.0054132600000000 ] - [ -0.0003784300000000, 0.0000101400000000, -0.0013391000000000 ] - [ -0.0004574300000000, -0.0008153300000000, 0.0000938700000000 ] - [ -0.0010040700000000, 0.0012582500000000, -0.0001304800000000 ] - [ 0.0002221200000000, 0.0004113700000000, -0.0012396500000000 ] - [ 0.0095202100000000, 0.0000130400000000, -0.0001358300000000 ] - [ 0.0000022800000000, -0.0000039500000000, -0.0011392100000000 ] - [ -0.0000758300000000, -0.0001427200000000, -0.0008218000000000 ] - [ 0.0007500000000000, 0.0016275000000000, -0.0030251900000000 ] - [ -0.0001073800000000, 0.0001859800000000, -0.0017767300000000 ] - [ -0.0436738400000000, 0.0756453100000000, 0.1172987000000000 ] - [ -0.0006468300000000, 0.0011203400000000, 0.0054976100000000 ] - [ -0.0000072400000000, -0.0000136900000000, -0.0020972000000000 ] - [ 0.0023021200000000, -0.0007263500000000, 0.0012892400000000 ] - [ 0.0007438100000000, -0.0000021600000000, -0.0007072400000000 ] - [ 0.0004737200000000, 0.0002115200000000, 0.0015642400000000 ] - [ -0.0005876500000000, 0.0014986800000000, -0.0001304800000000 ] - [ -0.0004946400000000, -0.0000249200000000, -0.0011725400000000 ] - [ 0.0004178000000000, -0.0004597300000000, -0.0014722300000000 ] - [ -0.0007079600000000, 0.0000027700000000, -0.0011760100000000 ] - [ 0.0003515800000000, 0.0006145000000000, -0.0011760100000000 ] - [ -0.0017844500000000, 0.0001642300000000, -0.0030251900000000 ] - [ 0.0021999400000000, 0.0007745200000000, 0.0013594200000000 ] - [ 0.0000688900000000, 0.0000022500000000, 0.0031262500000000 ] - [ 0.0009145000000000, -0.0015839600000000, -0.0029770100000000 ] - [ -0.0006248000000000, -0.0006603500000000, -0.0007347800000000 ] - [ -0.0006017900000000, -0.0001419300000000, -0.0014663100000000 ] - [ -0.0047509400000000, 0.0082288600000000, -0.0002335200000000 ] - [ 0.0005905400000000, 0.0000183700000000, 0.0020314100000000 ] - [ 0.0003938100000000, -0.0006008000000000, -0.0011804000000000 ] - [ 0.0001443700000000, -0.0001243800000000, -0.0008568500000000 ] - [ 0.0869752500000000, -0.0006267000000000, 0.1175372200000000 ] - [ 0.0008059000000000, -0.0013958700000000, -0.0013815000000000 ] - [ -0.0000969400000000, 0.0001679000000000, -0.0080757900000000 ] - [ -0.0011536300000000, -0.0000145100000000, -0.0008512000000000 ] - [ 0.0001615100000000, -0.0000056900000000, -0.0008218000000000 ] - [ -0.0002351300000000, 0.0008779400000000, -0.0007375500000000 ] - [ -0.0001621900000000, -0.0001209300000000, -0.0008576500000000 ] - [ 0.0001200500000000, -0.0002079200000000, -0.0012479600000000 ] - [ -0.0009927100000000, -0.0000145000000000, -0.0009127700000000 ] - [ 0.0000154800000000, -0.0000005800000000, -0.0020972000000000 ] - [ 0.0002635300000000, -0.0004564500000000, -0.0025242500000000 ] - [ -0.0001403400000000, -0.0010421300000000, -0.0002253500000000 ] - [ -0.0003375100000000, 0.0000400200000000, -0.0010680600000000 ] - [ 0.0001115900000000, 0.0006911600000000, 0.0020048600000000 ] - [ -0.0002554800000000, 0.0022984900000000, 0.0012753100000000 ] - [ 0.0001340900000000, 0.0003123000000000, -0.0010680600000000 ] - [ 0.0002689000000000, 0.0004159200000000, -0.0011725400000000 ] - [ -0.0000363900000000, -0.0000585300000000, 0.0031262500000000 ] - [ -0.0004802500000000, -0.0010421800000000, 0.0054132600000000 ] - [ -0.0004200400000000, -0.0003045000000000, 0.0015642400000000 ] - [ -0.0003700300000000, -0.0006452400000000, -0.0007072400000000 ] - [ 0.0028937500000000, -0.0009343400000000, -0.0015538500000000 ] - [ 0.0027998400000000, 0.0009637200000000, -0.0015366400000000 ] - [ 0.0003234000000000, -0.0006414500000000, -0.0011804000000000 ] - [ 0.0001804300000000, 0.0003328000000000, -0.0013391000000000 ] - [ -0.0022345300000000, -0.0019428700000000, -0.0015366400000000 ] - [ 0.0000355300000000, -0.0001872100000000, -0.0008568500000000 ] - [ -0.0006377100000000, -0.0029732300000000, -0.0015538500000000 ] - [ 0.0005089100000000, 0.0008524700000000, -0.0009127700000000 ] - [ -0.0018628100000000, 0.0013704900000000, 0.0012753100000000 ] - [ -0.0006427600000000, 0.0006426000000000, -0.0007375500000000 ] - [ 0.0002127900000000, -0.0000116500000000, -0.0017829500000000 ] - [ -0.0000944200000000, 0.0001635500000000, -0.0020326400000000 ] - [ -0.0004673200000000, 0.0000133200000000, -0.0012396500000000 ] - [ -0.0003111800000000, -0.0005022400000000, 0.0020314100000000 ] - [ 0.0008842800000000, 0.0002109200000000, -0.0007347800000000 ] - [ -0.0047714000000000, -0.0082382300000000, -0.0001358300000000 ] - [ 0.0009350500000000, -0.0016195600000000, 0.3470970600000000 ] - [ -0.0006543600000000, 0.0002489300000000, 0.0020048600000000 ] - [ 0.0003822700000000, -0.0006621100000000, -0.0007598600000000 ] - [ -0.0000616700000000, -0.0000806300000000, 0.0000895200000000 ] - [ 0.0000063100000000, -0.0000109300000000, -0.0013206100000000 ] - [ -0.0002373800000000, 0.0000030700000000, -0.0005609000000000 ] - [ 0.0012536900000000, -0.0021714600000000, 0.0004545200000000 ] - [ 0.0000131600000000, 0.0000160400000000, -0.0008623700000000 ] - [ 0.0012443900000000, 0.0021827600000000, 0.0003168600000000 ] - [ 0.0001160300000000, 0.0002071100000000, -0.0005609000000000 ] - [ -0.0006341800000000, 0.0000454700000000, -0.0007255600000000 ] - [ -0.0002518700000000, 0.0000115700000000, -0.0014065200000000 ] - [ 0.0002777100000000, 0.0005719500000000, -0.0007255600000000 ] - [ -0.0025125200000000, 0.0000137100000000, 0.0003168600000000 ] - [ 0.0001159100000000, 0.0002239100000000, -0.0014065200000000 ] - [ 0.0001435200000000, -0.0002485900000000, -0.0018047600000000 ] - [ 0.0001002100000000, -0.0001735600000000, -0.0013813500000000 ] - [ 0.0001006600000000, 0.0000131000000000, 0.0000895200000000 ] - [ -0.0000204700000000, -0.0000033700000000, -0.0008623700000000 ] - [ -0.0001532100000000, 0.0002653800000000, -0.0070479500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003284800000000, 0.0004775400000000, 0.0009907200000000 ] - [ 0.0000550400000000, -0.0000953200000000, 0.0026352400000000 ] - [ 0.0049642600000000, -0.0085983400000000, -0.0096376400000000 ] - [ 0.0003057800000000, 0.0003347400000000, 0.0022783300000000 ] - [ -0.0000941900000000, 0.0001631500000000, -0.0015254300000000 ] - [ 0.0000066800000000, -0.0000249500000000, -0.0014191600000000 ] - [ 0.0002325900000000, 0.0000065800000000, -0.0010016000000000 ] - [ -0.0001791500000000, -0.0003097600000000, -0.0012062700000000 ] - [ -0.0006629800000000, 0.0011483200000000, -0.0022286000000000 ] - [ -0.0001514900000000, 0.0001881000000000, -0.0010023400000000 ] - [ 0.0031654400000000, 0.0011674500000000, 0.0042414300000000 ] - [ -0.0000491000000000, -0.0001832400000000, -0.0010932400000000 ] - [ -0.0001145400000000, -0.0002277800000000, -0.0011442400000000 ] - [ -0.0005615000000000, -0.0011709900000000, -0.0020135000000000 ] - [ 0.0001832400000000, -0.0000491000000000, -0.0010932400000000 ] - [ -0.0021605800000000, 0.0019655400000000, 0.0048222600000000 ] - [ -0.0006219100000000, 0.0028538900000000, 0.0048222600000000 ] - [ -0.0005861200000000, -0.0033068300000000, 0.0041771600000000 ] - [ -0.0005949400000000, 0.0006073500000000, 0.0002933500000000 ] - [ 0.0003510500000000, 0.0005176200000000, -0.0013506600000000 ] - [ 0.0000182700000000, -0.0000182600000000, -0.0014191600000000 ] - [ -0.0053952800000000, 0.0000779600000000, -0.0048804900000000 ] - [ 0.0055042400000000, 0.0093472700000000, -0.0086430500000000 ] - [ 0.0005793400000000, -0.0000572700000000, 0.0006741000000000 ] - [ 0.0008452900000000, 0.0003129900000000, 0.0005608100000000 ] - [ 0.0003379300000000, -0.0004898900000000, -0.0013531700000000 ] - [ 0.0000040500000000, -0.0000070100000000, -0.0009872900000000 ] - [ -0.0000676500000000, 0.0001442500000000, -0.0003798800000000 ] - [ 0.0005899700000000, 0.0002866200000000, 0.0009896600000000 ] - [ 0.0000374100000000, -0.0000602400000000, -0.0003610100000000 ] - [ 0.0003918300000000, 0.0000172000000000, -0.0009895000000000 ] - [ 0.0003578300000000, 0.0000002700000000, -0.0012062700000000 ] - [ -0.0000911000000000, 0.0001307100000000, -0.0003798800000000 ] - [ 0.0012948600000000, -0.0000992200000000, -0.0020135000000000 ] - [ 0.0000218000000000, 0.0000597000000000, -0.0014137300000000 ] - [ 0.0031568600000000, -0.0011458200000000, 0.0041771600000000 ] - [ -0.0000753800000000, 0.0001305700000000, -0.0013674500000000 ] - [ -0.0000309300000000, 0.0001909000000000, -0.0010961000000000 ] - [ -0.0002108100000000, -0.0003307300000000, -0.0009895000000000 ] - [ 0.0000529600000000, -0.0000317700000000, -0.0005588900000000 ] - [ 0.0002552900000000, -0.0005376000000000, -0.0013531700000000 ] - [ -0.0004427800000000, -0.0000974500000000, 0.0022783300000000 ] - [ -0.0004944600000000, 0.0002500900000000, -0.0011668300000000 ] - [ -0.0000871600000000, 0.0002252500000000, -0.0010023400000000 ] - [ -0.0001291000000000, -0.0008883300000000, 0.0002907100000000 ] - [ -0.0108471000000000, -0.0000931800000000, -0.0086430500000000 ] - [ -0.0006238000000000, -0.0000452000000000, -0.0013506600000000 ] - [ 0.0026301300000000, 0.0047114300000000, -0.0048804900000000 ] - [ -0.0002285100000000, 0.0008189100000000, 0.0002933500000000 ] - [ 0.0000306400000000, 0.0005532600000000, -0.0011668300000000 ] - [ 0.0000334600000000, -0.0000625200000000, -0.0003610100000000 ] - [ -0.0002493200000000, 0.0005232400000000, 0.0009907200000000 ] - [ -0.0025937600000000, -0.0021576300000000, 0.0042414300000000 ] - [ -0.0001498600000000, 0.0001222300000000, -0.0010961000000000 ] - [ -0.0002400800000000, -0.0005303600000000, 0.0006741000000000 ] - [ 0.0008338700000000, -0.0003323600000000, 0.0002907100000000 ] - [ -0.0001219900000000, -0.0001981400000000, -0.0010016000000000 ] - [ -0.0005432100000000, -0.0003676200000000, 0.0009896600000000 ] - [ -0.0006937100000000, -0.0005755500000000, 0.0005608100000000 ] - [ 0.0027933600000000, -0.0048382500000000, -0.0047665400000000 ] - [ 0.0002545400000000, -0.0000146900000000, -0.0011442400000000 ] - [ -0.0000626000000000, 0.0000109700000000, -0.0014137300000000 ] - [ 0.0000010300000000, -0.0000617500000000, -0.0005588900000000 ] - [ -0.0055919600000000, 0.0096855600000000, 0.0076955000000000 ] - [ 0.0015503600000000, -0.0026853000000000, 0.7395657200000000 ] - [ 0.0002877100000000, 0.0000005100000000, -0.0030569600000000 ] - [ -0.0021670500000000, -0.0037726300000000, -0.0025555100000000 ] - [ 0.0001628200000000, 0.0002546200000000, -0.0013198100000000 ] - [ 0.0043507200000000, -0.0000096000000000, -0.0025555100000000 ] - [ 0.0013447800000000, -0.0023292200000000, -0.0023465000000000 ] - [ -0.0001659700000000, 0.0002874600000000, -0.0033890900000000 ] - [ 0.0003487000000000, 0.0002243300000000, -0.0032555600000000 ] - [ -0.0003686200000000, -0.0001898200000000, -0.0032555600000000 ] - [ -0.0003019200000000, -0.0000137000000000, -0.0013198100000000 ] - [ -0.0001443000000000, -0.0002489100000000, -0.0030569600000000 ] - [ 0.0000147800000000, -0.0000255900000000, -0.0032491900000000 ] - [ -0.0055771000000000, -0.0096416000000000, 0.0076876400000000 ] - [ 0.0111384200000000, 0.0000091100000000, 0.0076876400000000 ] - [ -0.0000126100000000, 0.0000218500000000, -0.0101326300000000 ] - [ -0.0000654800000000, -0.0000530300000000, 0.0052589600000000 ] - [ 0.0009411300000000, 0.0015748800000000, -0.0028098600000000 ] - [ -0.0018344500000000, -0.0000276000000000, -0.0028098600000000 ] - [ -0.0016607800000000, 0.0028765600000000, -0.0000283100000000 ] - [ 0.0000786600000000, 0.0000302000000000, 0.0052589600000000 ] - [ -0.0008342700000000, -0.0014452500000000, -0.0031510700000000 ] - [ 0.0016687600000000, -0.0000001300000000, -0.0031510700000000 ] - [ -0.0012534700000000, 0.0021710800000000, -0.0019032200000000 ] - [ 0.0007092700000000, -0.0012284900000000, 0.0005469400000000 ] - [ 0.0425012900000000, 0.0742696200000000, -0.1174739000000000 ] - [ 0.0024022700000000, 0.0015175900000000, -0.0009691100000000 ] - [ -0.0005894800000000, -0.0009932000000000, 0.0018565000000000 ] - [ -0.0002262600000000, -0.0001781900000000, 0.0008105400000000 ] - [ 0.0000530800000000, 0.0000435600000000, 0.0005751300000000 ] - [ -0.0000642600000000, -0.0000241900000000, 0.0005751300000000 ] - [ 0.0000744700000000, 0.0000670600000000, 0.0003453500000000 ] - [ 0.0011359200000000, -0.0019674700000000, -0.0010859900000000 ] - [ 0.0001865000000000, 0.0001883300000000, 0.0022105800000000 ] - [ 0.0000318300000000, 0.0027352300000000, -0.0009525600000000 ] - [ 0.0001313300000000, 0.0004023600000000, 0.0009964100000000 ] - [ -0.0025832900000000, -0.0000406500000000, -0.0010251400000000 ] - [ 0.0000084100000000, 0.0003151400000000, 0.0008152600000000 ] - [ -0.0012185700000000, -0.0000553500000000, -0.0056249700000000 ] - [ 0.0000396900000000, 0.0000240100000000, 0.0006824200000000 ] - [ 0.0013268500000000, 0.0022168700000000, -0.0010251400000000 ] - [ 0.0007640300000000, -0.0012460200000000, 0.0004096000000000 ] - [ 0.0000685100000000, 0.0000536000000000, 0.0009959600000000 ] - [ -0.0089768900000000, 0.0002280100000000, 0.0004710300000000 ] - [ -0.0001220700000000, 0.0002114300000000, 0.0011403400000000 ] - [ -0.0000600500000000, -0.0000851700000000, 0.0004702300000000 ] - [ -0.0007483500000000, -0.0013116400000000, 0.0024869700000000 ] - [ 0.0000641200000000, -0.0001110600000000, 0.0022046100000000 ] - [ 0.0429614500000000, -0.0744114200000000, -0.1180592100000000 ] - [ 0.0005510100000000, -0.0009543800000000, -0.0057103200000000 ] - [ 0.0000061500000000, 0.0000145600000000, 0.0020574100000000 ] - [ -0.0023847000000000, 0.0013400500000000, -0.0009525600000000 ] - [ -0.0007381800000000, -0.0000003500000000, 0.0023399000000000 ] - [ -0.0009140600000000, -0.0002103500000000, -0.0018593000000000 ] - [ 0.0006970700000000, -0.0012846800000000, 0.0004096000000000 ] - [ 0.0002877200000000, 0.0000207300000000, 0.0008480800000000 ] - [ -0.0002771300000000, 0.0001502900000000, 0.0008152600000000 ] - [ 0.0001780200000000, 0.0000118600000000, 0.0009362000000000 ] - [ -0.0000992800000000, -0.0001482400000000, 0.0009362000000000 ] - [ 0.0015100900000000, -0.0000077300000000, 0.0024869700000000 ] - [ -0.0025154000000000, -0.0013216400000000, -0.0009691100000000 ] - [ 0.0000531400000000, 0.0000008800000000, -0.0036384900000000 ] - [ -0.0007577600000000, 0.0013124800000000, 0.0028456600000000 ] - [ 0.0005471800000000, 0.0005150900000000, 0.0010343800000000 ] - [ 0.0002674500000000, 0.0001068500000000, 0.0008105400000000 ] - [ 0.0044471000000000, -0.0077026000000000, 0.0006220200000000 ] - [ -0.0009525200000000, 0.0002686100000000, -0.0014431400000000 ] - [ -0.0001358100000000, 0.0001202200000000, 0.0009382400000000 ] - [ 0.0001181600000000, -0.0000198400000000, 0.0003427700000000 ] - [ -0.0855700300000000, 0.0003276100000000, -0.1174739000000000 ] - [ -0.0013619100000000, 0.0023589000000000, 0.0021550600000000 ] - [ -0.0000381100000000, 0.0000660100000000, 0.0076286900000000 ] - [ 0.0011548700000000, 0.0000139100000000, 0.0018565000000000 ] - [ 0.0001037800000000, 0.0000094200000000, 0.0004702300000000 ] - [ 0.0001524800000000, -0.0007284300000000, 0.0010351500000000 ] - [ -0.0000953100000000, -0.0000309600000000, 0.0003453500000000 ] - [ -0.0000112800000000, 0.0000195400000000, 0.0009211500000000 ] - [ 0.0011692200000000, 0.0000179900000000, 0.0012096800000000 ] - [ -0.0000156800000000, 0.0000019600000000, 0.0020574100000000 ] - [ -0.0002646700000000, 0.0004584200000000, 0.0016356400000000 ] - [ -0.0004141200000000, 0.0000874400000000, 0.0009964100000000 ] - [ 0.0005706500000000, -0.0000396000000000, 0.0010692400000000 ] - [ 0.0003082300000000, -0.0008577500000000, -0.0014176000000000 ] - [ 0.0001773000000000, -0.0029193300000000, -0.0009393300000000 ] - [ -0.0002510300000000, -0.0005140000000000, 0.0010692400000000 ] - [ -0.0001618200000000, -0.0002388100000000, 0.0008480800000000 ] - [ -0.0000273300000000, -0.0000455800000000, -0.0036384900000000 ] - [ 0.0006572200000000, 0.0010276400000000, -0.0056249700000000 ] - [ 0.0006391900000000, 0.0006864200000000, -0.0018593000000000 ] - [ 0.0003693900000000, 0.0006391000000000, 0.0023399000000000 ] - [ -0.0020036500000000, -0.0004828800000000, 0.0006186800000000 ] - [ -0.0019963900000000, 0.0004948000000000, 0.0006027300000000 ] - [ -0.0000362100000000, 0.0001777300000000, 0.0009382400000000 ] - [ -0.0000406400000000, -0.0000223700000000, 0.0006824200000000 ] - [ 0.0005696900000000, 0.0019763200000000, 0.0006027300000000 ] - [ -0.0000419000000000, -0.0001122400000000, 0.0003427700000000 ] - [ 0.0014200100000000, 0.0014937700000000, 0.0006186800000000 ] - [ -0.0006001900000000, -0.0010035800000000, 0.0012096800000000 ] - [ 0.0024395600000000, -0.0016132100000000, -0.0009393300000000 ] - [ 0.0005545900000000, -0.0004962700000000, 0.0010351500000000 ] - [ -0.0002563500000000, -0.0000673500000000, 0.0022105800000000 ] - [ 0.0000948100000000, -0.0001642100000000, 0.0019372100000000 ] - [ -0.0000806800000000, -0.0000325300000000, 0.0009959600000000 ] - [ 0.0002436400000000, 0.0009592100000000, -0.0014431400000000 ] - [ -0.0007196700000000, -0.0002163200000000, 0.0010343800000000 ] - [ 0.0042909800000000, 0.0078882200000000, 0.0004710300000000 ] - [ -0.0011071200000000, 0.0019175900000000, -0.3749078600000000 ] - [ 0.0005887200000000, -0.0006958100000000, -0.0014176000000000 ] - [ -0.0003319300000000, 0.0005749300000000, 0.0007216500000000 ] - [ -0.0000551400000000, -0.0001188800000000, 0.0000614800000000 ] - [ 0.0000028400000000, -0.0000049200000000, 0.0014778300000000 ] - [ -0.0002338400000000, -0.0000003200000000, 0.0008853000000000 ] - [ -0.0012307300000000, 0.0021316800000000, -0.0003534600000000 ] - [ -0.0000039500000000, -0.0000117400000000, 0.0010221100000000 ] - [ -0.0012915500000000, -0.0021825400000000, -0.0002145800000000 ] - [ 0.0001172000000000, 0.0002023500000000, 0.0008853000000000 ] - [ 0.0006734000000000, 0.0000283600000000, 0.0006837400000000 ] - [ 0.0002548000000000, 0.0000063000000000, 0.0006837000000000 ] - [ -0.0003612600000000, -0.0005690000000000, 0.0006837400000000 ] - [ 0.0025359100000000, 0.0000272500000000, -0.0002145800000000 ] - [ -0.0001328500000000, -0.0002175100000000, 0.0006837000000000 ] - [ 0.0000902800000000, -0.0001563600000000, 0.0021298100000000 ] - [ -0.0000948300000000, 0.0001642400000000, 0.0006569600000000 ] - [ 0.0001305200000000, -0.0000116900000000, 0.0000614800000000 ] - [ 0.0000121400000000, -0.0000024500000000, 0.0010221100000000 ] - [ 0.0000363500000000, -0.0000629600000000, 0.0071999900000000 ]- atom: 66 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000767300000000, 0.0001758700000000, 0.0001914700000000 ] - [ -0.0000780900000000, 0.0001573000000000, 0.0001745400000000 ] - [ 0.0000960600000000, 0.0000629700000000, 0.0001373200000000 ] - [ -0.0000154600000000, -0.0001859000000000, 0.0001255900000000 ] - [ 0.0017716100000000, 0.0000908900000000, 0.0004169800000000 ] - [ 0.0088919900000000, -0.0055290100000000, -0.0000728600000000 ] - [ -0.0044078500000000, 0.0032656700000000, 0.0005368300000000 ] - [ -0.0004601200000000, -0.0005665500000000, -0.0003029700000000 ] - [ 0.0000618100000000, 0.0000218100000000, 0.0005783100000000 ] - [ 0.0094286700000000, 0.0109054800000000, -0.0004936200000000 ] - [ -0.0000936100000000, 0.0001404300000000, 0.0000821100000000 ] - [ -0.0034394700000000, 0.0029998800000000, -0.0044450900000000 ] - [ -0.0003117800000000, -0.0012929700000000, -0.0008145100000000 ] - [ 0.0001380000000000, 0.0000503700000000, 0.0007816200000000 ] - [ 0.0007978700000000, -0.0016892800000000, -0.0007077100000000 ] - [ 0.0000518100000000, -0.0000657200000000, 0.0002126200000000 ] - [ 0.0001810900000000, -0.0000663800000000, 0.0001356300000000 ] - [ 0.0001647200000000, 0.0001553600000000, 0.0000875400000000 ] - [ 0.0000484600000000, 0.0003633200000000, 0.0009633800000000 ] - [ -0.0013903200000000, -0.0026628300000000, -0.0068625900000000 ] - [ 0.0041536800000000, -0.0001688800000000, -0.0001186100000000 ] - [ 0.0010612400000000, 0.0000531700000000, 0.0000687600000000 ] - [ 0.0001413000000000, -0.0002229800000000, 0.0002088100000000 ] - [ 0.0000762900000000, 0.0001100400000000, 0.0001113200000000 ] - [ -0.0003446800000000, -0.0000617600000000, 0.0001691800000000 ] - [ -0.0012234700000000, 0.0026052200000000, -0.0062941900000000 ] - [ -0.0001724800000000, 0.0010838300000000, -0.0006896400000000 ] - [ 0.0000724700000000, 0.0003673700000000, 0.0003767500000000 ] - [ 0.0001905700000000, 0.0000216700000000, 0.0001887100000000 ] - [ 0.0001525500000000, -0.0003297700000000, 0.0004060400000000 ] - [ -0.0039035300000000, -0.0048053000000000, 0.0006155200000000 ] - [ 0.0008463800000000, 0.0016944200000000, -0.0007565000000000 ] - [ -0.0003491800000000, -0.0000210700000000, 0.0004506400000000 ] - [ 0.0009145400000000, -0.0000637700000000, -0.0000413500000000 ] - [ 0.0024791900000000, 0.0001896600000000, 0.0082484100000000 ] - [ -0.0002208500000000, -0.0000542600000000, 0.0000879900000000 ] - [ 0.0073706300000000, 0.0063567600000000, -0.0000408300000000 ] - [ -0.0004191300000000, 0.0005346600000000, -0.0002772400000000 ] - [ 0.0107478800000000, -0.0099101800000000, -0.0005256000000000 ] - [ -0.0003811700000000, -0.0006522000000000, -0.0006894900000000 ] - [ 0.0011306200000000, 0.0011852900000000, -0.0008334400000000 ] - [ 0.0000369800000000, -0.0000918700000000, 0.0002097900000000 ] - [ 0.0022177700000000, 0.0007501400000000, 0.0010359000000000 ] - [ 0.0004930700000000, -0.0017951900000000, 0.0000769200000000 ] - [ 0.0001680100000000, 0.0002803600000000, 0.0000638200000000 ] - [ 0.0001153000000000, -0.0001221200000000, 0.0002499700000000 ] - [ 0.0021496100000000, -0.0007389300000000, 0.0007444100000000 ] - [ -0.0001864500000000, -0.0003973500000000, -0.0007150700000000 ] - [ 0.0000640400000000, -0.0003491900000000, 0.0000439800000000 ] - [ 0.0010804600000000, -0.0011518500000000, -0.0008729800000000 ] - [ -0.0003963700000000, 0.0005334300000000, -0.0004911900000000 ] - [ -0.0002057300000000, 0.0001023800000000, 0.0002366000000000 ] - [ -0.0000219900000000, 0.0000184000000000, 0.0001653800000000 ] - [ -0.0033886400000000, -0.0030183300000000, -0.0041262800000000 ] - [ -0.0000426300000000, -0.0000832700000000, 0.0001621000000000 ] - [ -0.0003276700000000, 0.0000045900000000, -0.0000705500000000 ] - [ 0.0005680400000000, 0.0016073300000000, 0.0000204800000000 ] - [ -0.0003055500000000, -0.0000511600000000, 0.0001917000000000 ] - [ -0.0000284600000000, -0.0003371000000000, 0.0011574700000000 ] - [ -0.0001542200000000, 0.0004234800000000, -0.0004123800000000 ] - [ 0.0039458200000000, -0.0002441500000000, 0.0122006100000000 ] - [ 0.0016558300000000, -0.0000112500000000, 0.0006218900000000 ] - [ -0.0003274400000000, 0.0000704900000000, 0.0002865100000000 ] - [ -0.0000295300000000, 0.0000581000000000, 0.0004683700000000 ] - [ 0.0002227300000000, 0.0000644100000000, -0.0001750800000000 ] - [ -0.7236788300000000, 0.0011328600000000, 0.0071648500000000 ] - [ 0.0006992300000000, -0.0002661300000000, -0.0005107400000000 ] - [ -0.0075951700000000, -0.0087710800000000, 0.0023471100000000 ] - [ -0.0014027100000000, 0.0000176000000000, -0.0004964500000000 ] - [ 0.0006554700000000, 0.0003302500000000, 0.0004668200000000 ] - [ 0.0043768000000000, 0.0000374900000000, -0.0003332600000000 ] - [ 0.0085628600000000, -0.0004430000000000, -0.0063905700000000 ] - [ -0.0004452600000000, -0.0051132300000000, 0.0030838700000000 ] - [ -0.0081441600000000, 0.0092863400000000, 0.0019824600000000 ] - [ 0.0032493800000000, -0.0034396200000000, 0.0000778400000000 ] - [ 0.0003792100000000, 0.0044125500000000, 0.0026233300000000 ] - [ -0.0001168100000000, -0.0001035700000000, 0.0004819000000000 ] - [ 0.0001538300000000, 0.0000486700000000, -0.0000376600000000 ] - [ 0.0081813900000000, -0.0000013400000000, -0.0044984800000000 ] - [ -0.0000613200000000, 0.0002200800000000, 0.0002577800000000 ] - [ 0.0008758600000000, -0.0003584400000000, -0.0002767200000000 ] - [ -0.0012741400000000, 0.0000108200000000, -0.0002825500000000 ] - [ 0.0010258300000000, 0.0004563400000000, 0.0003319100000000 ] - [ -0.0001543300000000, -0.0002835100000000, 0.0002583200000000 ] - [ -0.0000372900000000, 0.0000075800000000, -0.0001212500000000 ] - [ 0.0000747100000000, -0.0000021600000000, -0.0001217200000000 ] - [ -0.0000375900000000, -0.0000146100000000, 0.0001641300000000 ] - [ -0.0001183400000000, -0.0002283800000000, 0.0001301000000000 ] - [ 0.0001549000000000, 0.0000486100000000, 0.0004666200000000 ] - [ 0.0003832700000000, 0.0000073100000000, 0.0001124600000000 ] - [ -0.0001569100000000, 0.0000392300000000, 0.0004873300000000 ] - [ 0.1419124400000000, 0.1049657200000000, -0.0425069100000000 ] - [ 0.0014271600000000, 0.0074980100000000, -0.0044197100000000 ] - [ 0.0044544400000000, -0.0004211200000000, 0.0014377900000000 ] - [ 0.0007812500000000, -0.0028056800000000, -0.0000631700000000 ] - [ -0.0001898400000000, -0.0001133300000000, -0.0003612200000000 ] - [ 0.0001402700000000, 0.0007904800000000, -0.0016320100000000 ] - [ -0.0002616100000000, 0.0002640400000000, 0.0000849200000000 ] - [ 0.0001898100000000, -0.0002600200000000, 0.0003810800000000 ] - [ 0.0005790900000000, -0.0000061600000000, -0.0002898500000000 ] - [ -0.0025382300000000, 0.0023125900000000, 0.0001006100000000 ] - [ -0.0000870100000000, -0.0000822000000000, 0.0000294600000000 ] - [ 0.3238297800000000, 0.0083851800000000, 0.0834025400000000 ] - [ 0.0003612800000000, 0.0007912500000000, -0.0004092700000000 ] - [ -0.0007331600000000, 0.0001625500000000, 0.0004167800000000 ] - [ -0.0000143600000000, 0.0034030500000000, -0.0030470700000000 ] - [ 0.0001676000000000, 0.0001198800000000, 0.0003094100000000 ] - [ -0.0023159700000000, 0.0007860700000000, 0.0001638600000000 ] - [ 0.0013865600000000, 0.0014635700000000, -0.0014130900000000 ] - [ -0.0038029700000000, -0.0007395600000000, 0.0026162900000000 ] - [ 0.0000368300000000, -0.0007124400000000, -0.0014933400000000 ] - [ 0.0000506200000000, -0.0001632000000000, 0.0000255800000000 ] - [ -0.0000297700000000, 0.0000422200000000, -0.0001745100000000 ] - [ -0.0008556300000000, 0.0007517400000000, -0.0000133200000000 ] - [ -0.0000596100000000, 0.0003087900000000, 0.0003487100000000 ] - [ 0.0030926700000000, -0.0000140700000000, 0.0008062100000000 ] - [ -0.0001271500000000, -0.0000300400000000, -0.0001819400000000 ] - [ -0.0005988700000000, -0.0002782200000000, -0.0001253600000000 ] - [ 0.0003398200000000, 0.0015473000000000, -0.0019309100000000 ] - [ 0.1576606000000000, -0.1144603500000000, -0.0480996800000000 ] - [ -0.0001275600000000, -0.0015413200000000, -0.0019149200000000 ] - [ -0.0005047700000000, -0.0017102000000000, -0.0000682400000000 ] - [ -0.0046006300000000, 0.0001000200000000, -0.0006003300000000 ] - [ -0.0001808300000000, -0.0002802700000000, 0.0003728300000000 ] - [ 0.0000984800000000, -0.0000567600000000, -0.0003184000000000 ] - [ -0.0036857800000000, 0.0005333800000000, 0.0028094800000000 ] - [ 0.0006242200000000, 0.0000634100000000, 0.0002471400000000 ] - [ -0.0024345900000000, -0.0000301500000000, -0.0006767000000000 ] - [ -0.0001373400000000, 0.0002204900000000, 0.0000837700000000 ] - [ -0.0000989300000000, 0.0001776900000000, 0.0002593000000000 ] - [ -0.0039702500000000, 0.0003099300000000, 0.0046127700000000 ] - [ 0.0014970200000000, -0.0073560600000000, -0.0045199300000000 ] - [ -0.0003700200000000, -0.0001424300000000, 0.0003734400000000 ] - [ -0.0006024500000000, 0.0004158200000000, 0.0003366500000000 ] - [ -0.0013126800000000, 0.0000242000000000, 0.0022801500000000 ] - [ 0.0002351600000000, -0.0000004900000000, 0.0004893200000000 ] - [ 0.0016786400000000, -0.0015959600000000, -0.0013906100000000 ] - [ -0.0002673200000000, 0.0003312900000000, -0.0000301600000000 ] - [ 0.0041809200000000, 0.0003236000000000, 0.0011153200000000 ] - [ -0.0000224600000000, -0.0028211000000000, -0.0025746800000000 ] - [ 0.0010038700000000, -0.0000005100000000, -0.0000531500000000 ] - [ 0.0874943700000000, 0.0000169100000000, -0.0008325900000000 ] - [ -0.0004410200000000, -0.0002848000000000, -0.0004462600000000 ] - [ -0.0004458300000000, -0.0006647200000000, 0.0004122500000000 ] - [ -0.0026174500000000, -0.0011463100000000, -0.0003556200000000 ] - [ 0.0002053900000000, 0.0000146300000000, 0.0002633200000000 ] - [ -0.0000499900000000, -0.0003786600000000, 0.0000929700000000 ] - [ -0.0009618400000000, -0.0007346900000000, 0.0001989400000000 ] - [ -0.0034722600000000, -0.0000640600000000, 0.0040371200000000 ] - [ 0.0000037900000000, 0.0000104400000000, -0.0003176000000000 ] - [ 0.0001087400000000, 0.0000293200000000, -0.0001782300000000 ] - [ 0.0001870800000000, 0.0003422100000000, -0.0002729900000000 ] - [ -0.0004431300000000, 0.0000566800000000, 0.0008183100000000 ] - [ 0.0010514800000000, -0.0011977700000000, -0.0005473900000000 ] - [ 0.0009652500000000, 0.0011851300000000, -0.0005530200000000 ] - [ -0.0003932200000000, 0.0018824100000000, -0.0001355600000000 ] - [ -0.0002562800000000, 0.0016829500000000, -0.0003982900000000 ] - [ -0.0012577200000000, -0.0001038200000000, -0.0004475800000000 ] - [ 0.0006052400000000, 0.0028560100000000, -0.0001245000000000 ] - [ -0.0000477800000000, -0.0004398900000000, -0.0005173800000000 ] - [ -0.0005212600000000, 0.0000323500000000, 0.0000839700000000 ] - [ 0.0003558700000000, -0.0001283500000000, 0.0000911300000000 ] - [ 0.0006268600000000, -0.0000805800000000, 0.0002517700000000 ] - [ -0.0012800900000000, 0.0000106500000000, 0.0037635900000000 ] - [ -0.0010728000000000, -0.0000911900000000, -0.0000489400000000 ] - [ -0.0043670400000000, 0.0001511700000000, -0.0001359700000000 ] - [ -0.0000451600000000, 0.0001327600000000, 0.0002600900000000 ] - [ -0.0004032600000000, 0.0003960000000000, 0.0003842000000000 ] - [ -0.0002258000000000, -0.0001343700000000, 0.0000487700000000 ] - [ -0.0000977700000000, 0.0000529700000000, -0.0001279700000000 ] - [ 0.0000417700000000, -0.0003667300000000, 0.0001684500000000 ] - [ 0.0000201800000000, -0.0009105500000000, 0.0008830000000000 ] - [ 0.0000179200000000, 0.0000283100000000, 0.0001402400000000 ] - [ -0.0059181900000000, -0.0004433300000000, -0.0018774200000000 ] - [ 0.0001825000000000, -0.0007909500000000, 0.0006340000000000 ] - [ 0.0000653100000000, -0.0001193500000000, 0.0002153000000000 ] - [ 0.0011765100000000, 0.0044549800000000, 0.0011588600000000 ] - [ 0.0000220700000000, 0.0000959500000000, 0.0002334400000000 ] - [ 0.0005605600000000, 0.0009499700000000, 0.0005720500000000 ] - [ -0.0014982600000000, 0.0001319100000000, -0.0018956400000000 ] - [ -0.0077839900000000, -0.0004366100000000, -0.0026565800000000 ] - [ 0.0000353000000000, 0.0009206700000000, 0.0009532700000000 ] - [ -0.0001104400000000, 0.0000105400000000, -0.0003107900000000 ] - [ -0.0020268900000000, 0.0035847000000000, 0.0008503200000000 ] - [ -0.0007785000000000, -0.0002089500000000, -0.0007205500000000 ] - [ -0.0014109400000000, -0.0034192700000000, 0.0007301500000000 ] - [ 0.0002012900000000, -0.0001212200000000, 0.0001422600000000 ] - [ 0.0018582700000000, -0.0041233700000000, 0.0009694400000000 ] - [ -0.0001918900000000, 0.0000947000000000, -0.0000809000000000 ]- atom: 66 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001305300000000, 0.0002387000000000, 0.0002343600000000 ] - [ -0.0000392700000000, 0.0000765400000000, 0.0001715600000000 ] - [ -0.0001469800000000, 0.0000393500000000, 0.0001407700000000 ] - [ 0.0000300100000000, -0.0000920600000000, 0.0001287700000000 ] - [ -0.0020155100000000, 0.0003426900000000, -0.0008433700000000 ] - [ -0.0090326200000000, 0.0050666900000000, 0.0000646600000000 ] - [ 0.0048487700000000, -0.0032572200000000, -0.0005509400000000 ] - [ 0.0002034100000000, 0.0001167300000000, -0.0001274700000000 ] - [ -0.0001938000000000, 0.0002279600000000, -0.0004601600000000 ] - [ -0.0097287900000000, -0.0105967200000000, 0.0004572400000000 ] - [ 0.0001038900000000, 0.0001528500000000, 0.0001678200000000 ] - [ 0.0033255900000000, -0.0034627000000000, 0.0042057400000000 ] - [ 0.0001100500000000, 0.0008909500000000, 0.0002161800000000 ] - [ -0.0001133100000000, -0.0002126600000000, -0.0002841800000000 ] - [ -0.0003662100000000, 0.0015874000000000, 0.0004600700000000 ] - [ -0.0001743900000000, -0.0001481800000000, 0.0001379000000000 ] - [ 0.0000794500000000, 0.0000813800000000, 0.0002090600000000 ] - [ 0.0000818200000000, 0.0000015600000000, 0.0001599000000000 ] - [ -0.0000734300000000, -0.0000726500000000, -0.0008425200000000 ] - [ 0.0011590300000000, 0.0030770800000000, 0.0062401400000000 ] - [ -0.0036883500000000, 0.0001584400000000, 0.0001015600000000 ] - [ -0.0007910400000000, 0.0000674700000000, 0.0000468500000000 ] - [ -0.0000862100000000, -0.0002056600000000, 0.0002156200000000 ] - [ 0.0000381700000000, -0.0001030000000000, 0.0001664300000000 ] - [ 0.0006144400000000, 0.0000718700000000, 0.0004415400000000 ] - [ 0.0009362900000000, -0.0029700400000000, 0.0056719500000000 ] - [ 0.0000619500000000, -0.0008803800000000, 0.0003445800000000 ] - [ -0.0002254400000000, -0.0004244900000000, 0.0001184700000000 ] - [ 0.0001425100000000, 0.0002321100000000, 0.0002381700000000 ] - [ -0.0001391000000000, 0.0004917300000000, 0.0000859700000000 ] - [ 0.0046344000000000, 0.0047897500000000, -0.0005773900000000 ] - [ -0.0003365100000000, -0.0016928900000000, 0.0003227200000000 ] - [ 0.0004828800000000, 0.0001122200000000, 0.0000399500000000 ] - [ -0.0007793700000000, -0.0000428400000000, 0.0005360700000000 ] - [ -0.0020114300000000, -0.0000857600000000, -0.0084126500000000 ] - [ -0.0000283800000000, -0.0000720500000000, 0.0001664000000000 ] - [ -0.0076923000000000, -0.0056333200000000, 0.0000854600000000 ] - [ 0.0002917400000000, -0.0001014400000000, 0.0000265900000000 ] - [ -0.0112077200000000, 0.0093309700000000, 0.0005408900000000 ] - [ 0.0002508400000000, 0.0004229300000000, 0.0008134600000000 ] - [ -0.0006618900000000, -0.0011304400000000, 0.0002319500000000 ] - [ 0.0002010000000000, -0.0000893700000000, 0.0000407000000000 ] - [ -0.0023215200000000, -0.0009460900000000, -0.0013917000000000 ] - [ -0.0007134800000000, 0.0021872200000000, -0.0000913300000000 ] - [ -0.0001983600000000, -0.0005774700000000, 0.0000461200000000 ] - [ 0.0002190600000000, -0.0001270600000000, 0.0001743000000000 ] - [ -0.0024299700000000, 0.0011085800000000, -0.0013451400000000 ] - [ -0.0000619700000000, 0.0002185500000000, 0.0008208900000000 ] - [ -0.0002954100000000, 0.0005201400000000, 0.0000739700000000 ] - [ -0.0008473700000000, 0.0011518600000000, 0.0005251700000000 ] - [ 0.0002389300000000, -0.0004710100000000, 0.0009845300000000 ] - [ -0.0001778500000000, 0.0000637700000000, 0.0001869900000000 ] - [ -0.0002524900000000, 0.0000962200000000, 0.0000839900000000 ] - [ 0.0031055400000000, 0.0033629900000000, 0.0038798700000000 ] - [ -0.0000213100000000, -0.0000275200000000, 0.0001086300000000 ] - [ 0.0005913000000000, -0.0001214200000000, 0.0001894700000000 ] - [ -0.0007899000000000, -0.0019860400000000, -0.0000309300000000 ] - [ -0.0000928000000000, -0.0001147900000000, 0.0002312200000000 ] - [ -0.0001042300000000, 0.0001015500000000, -0.0005502700000000 ] - [ 0.0000206900000000, -0.0001821200000000, 0.0010168000000000 ] - [ -0.0035030500000000, 0.0001759600000000, -0.0128620600000000 ] - [ -0.0019607200000000, -0.0003173400000000, -0.0008531700000000 ] - [ 0.0006071400000000, -0.0000575300000000, -0.0001720800000000 ] - [ 0.0000824700000000, -0.0001537100000000, 0.0001364400000000 ] - [ -0.0002956400000000, 0.0000506300000000, 0.0004019100000000 ] - [ 0.7444048100000000, 0.0011364100000000, 0.0073652900000000 ] - [ -0.0006966200000000, 0.0002702500000000, -0.0005094400000000 ] - [ 0.0079078700000000, 0.0092511100000000, -0.0024448400000000 ] - [ 0.0013981700000000, -0.0000168000000000, -0.0004951000000000 ] - [ -0.0006550800000000, -0.0003341100000000, 0.0004650900000000 ] - [ -0.0043717500000000, -0.0000659100000000, -0.0003346500000000 ] - [ -0.0083448700000000, 0.0008623700000000, 0.0059588500000000 ] - [ -0.0000745100000000, 0.0050860200000000, -0.0035496200000000 ] - [ 0.0076134100000000, -0.0092748600000000, -0.0020749800000000 ] - [ -0.0032486100000000, 0.0034668300000000, 0.0000782400000000 ] - [ -0.0001874600000000, -0.0047967400000000, -0.0030929600000000 ] - [ 0.0000049000000000, 0.0001029900000000, 0.0001218000000000 ] - [ -0.0000923800000000, 0.0000533200000000, 0.0006495800000000 ] - [ -0.0078706000000000, -0.0004917500000000, 0.0043521100000000 ] - [ 0.0001968800000000, -0.0002208500000000, -0.0000289800000000 ] - [ -0.0008603000000000, 0.0003550100000000, -0.0002796900000000 ] - [ 0.0012536800000000, -0.0000020700000000, -0.0002855100000000 ] - [ -0.0010214200000000, -0.0004602900000000, 0.0003355700000000 ] - [ 0.0000855300000000, 0.0001619500000000, -0.0000262800000000 ] - [ 0.0000355300000000, -0.0000117500000000, -0.0001205800000000 ] - [ -0.0000771700000000, -0.0000009000000000, -0.0001210100000000 ] - [ 0.0000395900000000, 0.0000188200000000, 0.0001636700000000 ] - [ 0.0002297700000000, 0.0000385000000000, 0.0001474700000000 ] - [ 0.0002872900000000, 0.0001322500000000, 0.0001248100000000 ] - [ 0.0002675000000000, -0.0000120400000000, 0.0002721200000000 ] - [ 0.0001560700000000, -0.0000417500000000, 0.0004967400000000 ] - [ -0.1411596800000000, -0.1008954900000000, 0.0402829000000000 ] - [ -0.0012904000000000, -0.0072371700000000, 0.0043062700000000 ] - [ -0.0047677600000000, 0.0004083500000000, -0.0015721700000000 ] - [ -0.0005275600000000, 0.0029523200000000, -0.0004597400000000 ] - [ 0.0001875600000000, 0.0001112200000000, -0.0003736600000000 ] - [ -0.0000439000000000, -0.0007901500000000, 0.0020646500000000 ] - [ -0.0002452600000000, 0.0001387000000000, 0.0002461100000000 ] - [ 0.0009142000000000, 0.0002662000000000, 0.0003781100000000 ] - [ -0.0022434800000000, -0.0000478700000000, -0.0006404800000000 ] - [ 0.0027357900000000, -0.0025957900000000, -0.0007532800000000 ] - [ -0.0000081100000000, -0.0000815000000000, -0.0002479300000000 ] - [ -0.3468005700000000, -0.0092874400000000, -0.0929695300000000 ] - [ 0.0005063800000000, 0.0006101800000000, -0.0005117800000000 ] - [ 0.0005067600000000, -0.0001586200000000, -0.0001364600000000 ] - [ 0.0003132600000000, -0.0029258400000000, 0.0028032000000000 ] - [ 0.0004060000000000, 0.0001191000000000, 0.0000202700000000 ] - [ 0.0021919900000000, -0.0005716300000000, -0.0001558100000000 ] - [ -0.0015218100000000, -0.0016876000000000, 0.0010480800000000 ] - [ 0.0037916800000000, 0.0010462300000000, -0.0031154300000000 ] - [ -0.0000775500000000, 0.0007820700000000, 0.0019283600000000 ] - [ 0.0001823600000000, -0.0002313000000000, -0.0003164500000000 ] - [ -0.0000663100000000, 0.0001095600000000, -0.0000411100000000 ] - [ 0.0008560400000000, -0.0007548600000000, -0.0000141500000000 ] - [ -0.0000228800000000, 0.0003102300000000, -0.0000175000000000 ] - [ -0.0030879000000000, 0.0000114900000000, 0.0008098600000000 ] - [ -0.0003285600000000, 0.0000329200000000, -0.0001095800000000 ] - [ 0.0007091500000000, 0.0004751800000000, 0.0004047700000000 ] - [ -0.0005168900000000, -0.0015624500000000, 0.0016348600000000 ] - [ -0.1559736000000000, 0.1090527300000000, 0.0452858000000000 ] - [ -0.0003777500000000, 0.0015643100000000, 0.0017029000000000 ] - [ 0.0007576800000000, 0.0021744500000000, -0.0001582500000000 ] - [ 0.0043315600000000, 0.0000583400000000, 0.0000801400000000 ] - [ -0.0001463300000000, -0.0002851400000000, 0.0000126700000000 ] - [ 0.0000268500000000, 0.0000624400000000, -0.0001877000000000 ] - [ 0.0038229000000000, -0.0007848600000000, -0.0028974200000000 ] - [ -0.0007051800000000, -0.0002105300000000, 0.0000535300000000 ] - [ 0.0021125400000000, -0.0000138600000000, 0.0000299600000000 ] - [ -0.0001906500000000, 0.0003387700000000, 0.0003001400000000 ] - [ -0.0002811000000000, 0.0001114200000000, 0.0003324600000000 ] - [ 0.0042410000000000, -0.0008007300000000, -0.0048634200000000 ] - [ -0.0012464700000000, 0.0072092800000000, 0.0039923400000000 ] - [ 0.0000118000000000, -0.0001403000000000, 0.0002185500000000 ] - [ 0.0000538000000000, 0.0005455900000000, 0.0004222800000000 ] - [ 0.0011823300000000, 0.0002110000000000, -0.0026098200000000 ] - [ -0.0002344700000000, -0.0000003300000000, 0.0004988300000000 ] - [ -0.0014166500000000, 0.0016013400000000, 0.0010261600000000 ] - [ 0.0001797700000000, -0.0001769600000000, 0.0003216100000000 ] - [ -0.0044569600000000, -0.0004559400000000, -0.0016551300000000 ] - [ 0.0001319800000000, 0.0026158600000000, 0.0022512000000000 ] - [ -0.0008196800000000, 0.0000029100000000, 0.0003467000000000 ] - [ -0.0876045100000000, -0.0000230200000000, -0.0008352100000000 ] - [ 0.0004426400000000, 0.0002907600000000, -0.0004502300000000 ] - [ -0.0001024900000000, -0.0002840600000000, 0.0003458000000000 ] - [ 0.0028407200000000, 0.0011528400000000, 0.0003611000000000 ] - [ 0.0002331800000000, -0.0001979000000000, 0.0003295000000000 ] - [ -0.0000322300000000, -0.0002517800000000, 0.0002381800000000 ] - [ 0.0008531300000000, 0.0005568800000000, -0.0001969300000000 ] - [ 0.0035818700000000, 0.0002297200000000, -0.0043643600000000 ] - [ -0.0000617100000000, -0.0001100400000000, -0.0001923500000000 ] - [ 0.0000709000000000, -0.0000366400000000, -0.0000364100000000 ] - [ 0.0000419600000000, 0.0000566600000000, -0.0000212900000000 ] - [ 0.0004396600000000, -0.0000642800000000, 0.0008219100000000 ] - [ -0.0001779700000000, -0.0002235900000000, -0.0003863100000000 ] - [ -0.0001784100000000, 0.0002754400000000, -0.0003788600000000 ] - [ 0.0006793600000000, -0.0023313800000000, -0.0000912600000000 ] - [ 0.0003871700000000, -0.0013958800000000, -0.0002496000000000 ] - [ -0.0003991000000000, 0.0001460400000000, -0.0004736200000000 ] - [ -0.0006100000000000, -0.0031514800000000, -0.0003980100000000 ] - [ 0.0008300000000000, -0.0010274200000000, -0.0004043000000000 ] - [ 0.0004338800000000, -0.0001765800000000, 0.0002095700000000 ] - [ 0.0002465200000000, -0.0001087800000000, 0.0002407800000000 ] - [ -0.0007113200000000, 0.0002151600000000, 0.0000512500000000 ] - [ 0.0012341100000000, -0.0000923000000000, -0.0033439800000000 ] - [ 0.0010672500000000, 0.0000924100000000, -0.0000475800000000 ] - [ 0.0038141000000000, -0.0001759800000000, -0.0000979000000000 ] - [ -0.0000208000000000, 0.0003358900000000, 0.0003319600000000 ] - [ 0.0005607800000000, -0.0004027200000000, -0.0000873700000000 ] - [ -0.0002789200000000, -0.0002528200000000, 0.0002824900000000 ] - [ 0.0000405100000000, 0.0000588200000000, -0.0003782000000000 ] - [ -0.0001079100000000, -0.0000864900000000, 0.0004205700000000 ] - [ 0.0000248300000000, 0.0008267200000000, -0.0009208300000000 ] - [ -0.0001316800000000, -0.0002239800000000, 0.0000000600000000 ] - [ 0.0058627000000000, 0.0004154200000000, 0.0020251100000000 ] - [ -0.0006572800000000, 0.0007969500000000, -0.0003056200000000 ] - [ -0.0000414200000000, 0.0000783800000000, -0.0001265800000000 ] - [ -0.0011942400000000, -0.0044569700000000, -0.0009849600000000 ] - [ -0.0000682000000000, -0.0000970700000000, -0.0001448500000000 ] - [ -0.0003242500000000, -0.0005348800000000, -0.0002453700000000 ] - [ 0.0015303700000000, -0.0000620600000000, 0.0018529800000000 ] - [ 0.0077914100000000, 0.0004604800000000, 0.0019537800000000 ] - [ -0.0001208500000000, -0.0009264800000000, -0.0009919100000000 ] - [ 0.0001304500000000, 0.0000282000000000, 0.0003977300000000 ] - [ 0.0020434200000000, -0.0035691800000000, -0.0015720700000000 ] - [ 0.0010195200000000, -0.0001954300000000, 0.0010376200000000 ] - [ 0.0014402700000000, 0.0034138900000000, -0.0014539200000000 ] - [ 0.0000307700000000, 0.0001235300000000, -0.0000041300000000 ] - [ -0.0018967700000000, 0.0041058600000000, -0.0007914500000000 ] - [ 0.0000787000000000, 0.0001084200000000, 0.0002169600000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002974000000000, 0.0007669600000000, 0.0018554300000000 ] - [ -0.0001113000000000, 0.0001657600000000, 0.0011855300000000 ] - [ 0.0000659100000000, -0.0000022300000000, 0.0010457800000000 ] - [ -0.0000064300000000, -0.0001485900000000, 0.0011284400000000 ] - [ 0.0004498300000000, -0.0001497200000000, -0.0015959100000000 ] - [ -0.0034413000000000, 0.0005258000000000, -0.0040750100000000 ] - [ 0.0012653000000000, -0.0032431500000000, -0.0040750100000000 ] - [ -0.0000952500000000, 0.0004644200000000, -0.0015959100000000 ] - [ 0.0011265100000000, 0.0009275800000000, 0.0010967600000000 ] - [ 0.0021760100000000, 0.0027173600000000, -0.0040750100000000 ] - [ -0.0000663200000000, 0.0002849400000000, 0.0015287600000000 ] - [ -0.0073877600000000, -0.0128280100000000, 0.0037630500000000 ] - [ -0.0000014600000000, 0.0005290500000000, -0.0005059800000000 ] - [ 0.0011721900000000, -0.0008623900000000, 0.0013078800000000 ] - [ -0.0005546700000000, 0.0002953500000000, -0.0013081500000000 ] - [ -0.0000879000000000, -0.0001792700000000, 0.0011855300000000 ] - [ 0.0001992100000000, 0.0000135100000000, 0.0011855300000000 ] - [ 0.0001318900000000, 0.0000687300000000, 0.0011284400000000 ] - [ 0.0005023500000000, 0.0003921600000000, 0.0011489000000000 ] - [ -0.0030514500000000, 0.0052172300000000, 0.0047931500000000 ] - [ 0.0004422400000000, -0.0000921000000000, -0.0020894900000000 ] - [ 0.0001015100000000, 0.0000902500000000, 0.0009550900000000 ] - [ 0.0000942300000000, -0.0001966600000000, 0.0011376400000000 ] - [ -0.0000348900000000, -0.0000559600000000, 0.0010457800000000 ] - [ 0.0000914400000000, 0.0005344900000000, 0.0014000400000000 ] - [ -0.0029925300000000, -0.0052512500000000, 0.0047931500000000 ] - [ 0.0000534100000000, -0.0006485500000000, -0.0001710800000000 ] - [ -0.0001168000000000, -0.0001510600000000, 0.0007975500000000 ] - [ 0.0001232000000000, 0.0001799300000000, 0.0011376400000000 ] - [ -0.0000724200000000, 0.0001766800000000, 0.0007975500000000 ] - [ 0.0011206800000000, 0.0032265300000000, -0.0041606400000000 ] - [ -0.0003545700000000, -0.0003147000000000, -0.0015959100000000 ] - [ 0.0001607600000000, 0.0014463400000000, 0.0013078800000000 ] - [ 0.0001892200000000, -0.0000256300000000, 0.0007975500000000 ] - [ 0.0148032600000000, 0.0000160200000000, 0.0037630500000000 ] - [ -0.0002136000000000, -0.0001999000000000, 0.0015287600000000 ] - [ -0.0033546000000000, -0.0006427300000000, -0.0041606400000000 ] - [ 0.0000215500000000, -0.0006280300000000, -0.0013081500000000 ] - [ 0.0022339200000000, -0.0025838000000000, -0.0041606400000000 ] - [ -0.0013665600000000, 0.0005117900000000, 0.0010967600000000 ] - [ -0.0004574400000000, -0.0002657900000000, -0.0005059800000000 ] - [ 0.0002799200000000, -0.0000850300000000, 0.0015287600000000 ] - [ 0.0005349500000000, 0.0003705300000000, -0.0001710800000000 ] - [ -0.0001413600000000, 0.0004290400000000, -0.0020894900000000 ] - [ 0.0000274000000000, -0.0001330400000000, 0.0009550900000000 ] - [ 0.0008129000000000, -0.0001259300000000, 0.0018554300000000 ] - [ 0.0004589000000000, -0.0002632600000000, -0.0005059800000000 ] - [ -0.0005907900000000, 0.0002389700000000, 0.0011489000000000 ] - [ -0.0001289200000000, 0.0000427900000000, 0.0009550900000000 ] - [ -0.0005883700000000, 0.0002780200000000, -0.0001710800000000 ] - [ -0.0013329500000000, -0.0005839500000000, 0.0013078800000000 ] - [ -0.0002174300000000, 0.0000167300000000, 0.0011376400000000 ] - [ -0.0001254600000000, 0.0000798600000000, 0.0011284400000000 ] - [ -0.0074155100000000, 0.0128119900000000, 0.0037630500000000 ] - [ -0.0000310200000000, 0.0000582000000000, 0.0010457800000000 ] - [ 0.0000884400000000, -0.0006311200000000, 0.0011489000000000 ] - [ -0.0003008800000000, -0.0003369400000000, -0.0020894900000000 ] - [ -0.0005155100000000, -0.0006410300000000, 0.0018554300000000 ] - [ 0.0004171600000000, -0.0003464300000000, 0.0014000400000000 ] - [ -0.0005086000000000, -0.0001880500000000, 0.0014000400000000 ] - [ 0.0060439800000000, 0.0000340100000000, 0.0047931500000000 ] - [ 0.0005331200000000, 0.0003326800000000, -0.0013081500000000 ] - [ 0.0002400600000000, -0.0014393700000000, 0.0010967600000000 ] - [ 0.0003905800000000, 0.0006141000000000, 0.0033550000000000 ] - [ -0.0002457700000000, 0.0000367100000000, 0.0032541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.7238254400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009242900000000 ] - [ 0.0022100300000000, -0.0033384500000000, 0.0023089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099193600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003102800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039591100000000 ] - [ -0.0055440800000000, -0.0002634300000000, -0.0008350700000000 ] - [ 0.0030001800000000, -0.0046696000000000, -0.0008350700000000 ] - [ 0.0017861700000000, 0.0035831700000000, 0.0023089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051649900000000 ] - [ 0.0025439000000000, 0.0049330300000000, -0.0008350700000000 ] - [ 0.0003365300000000, -0.0006453000000000, 0.0033550000000000 ] - [ -0.0007271100000000, 0.0000312100000000, 0.0033550000000000 ] - [ -0.0039962000000000, -0.0002447200000000, 0.0023089300000000 ] - [ 0.0001546800000000, 0.0001944900000000, 0.0032541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027999800000000 ] - [ 0.0000910900000000, -0.0002312000000000, 0.0032541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009046600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014848900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006163700000000 ] - [ -0.0001055300000000, 0.0002620400000000, -0.0006357500000000 ] - [ 0.0004964200000000, 0.0004032900000000, -0.0008768000000000 ] - [ -0.0002316600000000, 0.0003405000000000, -0.0009524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006444600000000 ] - [ -0.0408106900000000, -0.0768363300000000, 0.1176760800000000 ] - [ -0.0009576100000000, 0.0023389900000000, -0.0012224200000000 ] - [ -0.0015468200000000, -0.0019988100000000, -0.0012224200000000 ] - [ -0.0007062200000000, -0.0013563000000000, 0.0000937600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021302800000000 ] - [ -0.0005700300000000, 0.0008926200000000, 0.0004792100000000 ] - [ -0.0002699500000000, 0.0001916100000000, -0.0006771000000000 ] - [ 0.0007272300000000, 0.0000550100000000, 0.0001673800000000 ] - [ -0.0025140600000000, -0.0000452600000000, -0.0033777200000000 ] - [ -0.0003920200000000, 0.0004238100000000, 0.0013886100000000 ] - [ 0.0000618100000000, -0.0000680300000000, -0.0021725800000000 ] - [ 0.0869475600000000, 0.0030750800000000, 0.1176760800000000 ] - [ 0.0004967300000000, 0.0007571100000000, -0.0011495100000000 ] - [ 0.0002797000000000, -0.0000396300000000, -0.0006357500000000 ] - [ -0.0017528100000000, 0.0032329100000000, 0.0013500500000000 ] - [ 0.0003009100000000, 0.0001379800000000, -0.0006771000000000 ] - [ -0.0001128000000000, 0.0004609400000000, 0.0016093000000000 ] - [ -0.0004309400000000, 0.0004699400000000, -0.0018064500000000 ] - [ 0.0023049900000000, 0.0003829300000000, -0.0014191900000000 ] - [ -0.0004880100000000, -0.0009399700000000, 0.0004792100000000 ] - [ 0.0004179600000000, -0.0005048600000000, -0.0013270900000000 ] - [ -0.0000898200000000, -0.0000195200000000, -0.0021725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033573300000000 ] - [ 0.0005546500000000, 0.0000078400000000, -0.0009844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074523300000000 ] - [ -0.0006462000000000, -0.0001095300000000, -0.0013270900000000 ] - [ -0.0001741700000000, -0.0002224100000000, -0.0006357500000000 ] - [ -0.0021518600000000, 0.0032543100000000, 0.0009650900000000 ] - [ -0.0461368700000000, 0.0737612600000000, 0.1176760800000000 ] - [ -0.0019233700000000, -0.0031344300000000, 0.0013500500000000 ] - [ -0.0012362300000000, -0.0021724800000000, 0.0014361900000000 ] - [ 0.0015277000000000, 0.0000665400000000, 0.0000937600000000 ] - [ 0.0004107100000000, 0.0000303800000000, -0.0009524300000000 ] - [ 0.0000841100000000, 0.0000167200000000, -0.0023619800000000 ] - [ 0.0025044300000000, -0.0003401800000000, -0.0012224200000000 ] - [ 0.0000614300000000, 0.0001191600000000, -0.0045437700000000 ] - [ 0.0005630400000000, 0.0001276000000000, 0.0013886100000000 ] - [ -0.0001790500000000, -0.0003708800000000, -0.0009524300000000 ] - [ -0.0005974700000000, 0.0002282600000000, -0.0008768000000000 ] - [ 0.0036761800000000, -0.0000984700000000, 0.0013500500000000 ] - [ -0.0008208700000000, -0.0021876500000000, -0.0014191900000000 ] - [ -0.0004134800000000, -0.0001198500000000, -0.0007507500000000 ] - [ -0.0004112500000000, 0.0006023000000000, 0.0001673800000000 ] - [ 0.0006224500000000, 0.0001382300000000, -0.0018064500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050787800000000 ] - [ -0.0001915100000000, -0.0006081700000000, -0.0018064500000000 ] - [ -0.0001538900000000, 0.0004188000000000, -0.0001929300000000 ] - [ -0.0014841200000000, 0.0018047200000000, -0.0014191900000000 ] - [ -0.0017423800000000, -0.0034907200000000, 0.0009650900000000 ] - [ -0.0001339100000000, -0.0000063800000000, -0.0045437700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3616633000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001004800000000 ] - [ -0.0003159800000000, -0.0006573100000000, 0.0001673800000000 ] - [ 0.0004555900000000, -0.0001327900000000, 0.0016093000000000 ] - [ 0.0003105300000000, -0.0002981600000000, -0.0007507500000000 ] - [ -0.0000309600000000, -0.0003295900000000, -0.0006771000000000 ] - [ -0.0003427900000000, -0.0003281600000000, 0.0016093000000000 ] - [ 0.0038942500000000, 0.0002364100000000, 0.0009650900000000 ] - [ -0.0000275700000000, -0.0000812000000000, -0.0023619800000000 ] - [ 0.0000280100000000, 0.0000875500000000, -0.0021725800000000 ] - [ 0.0002282400000000, 0.0006144000000000, -0.0013270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000463100000000 ] - [ 0.0012962300000000, -0.0021546100000000, -0.0033777200000000 ] - [ 0.0012178400000000, 0.0021998700000000, -0.0033777200000000 ] - [ -0.0012633100000000, 0.0021568500000000, 0.0014361900000000 ] - [ -0.0001710200000000, -0.0005514100000000, 0.0013886100000000 ] - [ -0.0009040400000000, 0.0000516300000000, -0.0011495100000000 ] - [ -0.0008214800000000, 0.0012897600000000, 0.0000937600000000 ] - [ 0.0004073100000000, -0.0008087400000000, -0.0011495100000000 ] - [ -0.0002857500000000, -0.0003426800000000, -0.0001929300000000 ] - [ -0.0002705400000000, -0.0004842600000000, -0.0009844100000000 ] - [ 0.0000724800000000, -0.0001127800000000, -0.0045437700000000 ] - [ 0.0010580400000000, 0.0000473500000000, 0.0004792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021795400000000 ] - [ 0.0024995400000000, 0.0000156300000000, 0.0014361900000000 ] - [ 0.0001029500000000, 0.0004180100000000, -0.0007507500000000 ] - [ 0.0004396400000000, -0.0000761300000000, -0.0001929300000000 ] - [ -0.0002841100000000, 0.0004764200000000, -0.0009844100000000 ] - [ -0.0000565400000000, 0.0000644800000000, -0.0023619800000000 ] - [ 0.0001010500000000, -0.0006315500000000, -0.0008768000000000 ] - [ 0.0003975800000000, 0.0006058200000000, -0.0007791200000000 ] - [ 0.0002534400000000, -0.0005861000000000, -0.0009456900000000 ] - [ -0.0005317500000000, -0.0000434000000000, 0.0040601900000000 ] - [ 0.0007370300000000, 0.0015857100000000, -0.0000465900000000 ] - [ 0.0001150100000000, 0.0001945700000000, -0.0010514900000000 ] - [ 0.0003034600000000, -0.0004388100000000, 0.0040601900000000 ] - [ 0.0001110000000000, -0.0001968900000000, -0.0010514900000000 ] - [ 0.0010047500000000, -0.0014311500000000, -0.0000465900000000 ] - [ -0.0007234400000000, 0.0000414100000000, -0.0007791200000000 ] - [ -0.0025428500000000, -0.0001280600000000, 0.0000753300000000 ] - [ 0.0003258600000000, -0.0006472200000000, -0.0007791200000000 ] - [ -0.0002260100000000, 0.0000023100000000, -0.0010514900000000 ] - [ 0.0013823300000000, -0.0021381400000000, 0.0000753300000000 ] - [ -0.0017417900000000, -0.0001545700000000, -0.0000465900000000 ] - [ 0.0011605200000000, 0.0022662000000000, 0.0000753300000000 ] - [ 0.0003808600000000, 0.0005125400000000, -0.0009456900000000 ] - [ 0.0002282900000000, 0.0004822100000000, 0.0040601900000000 ] - [ -0.0006343000000000, 0.0000735600000000, -0.0009456900000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003491800000000, -0.0003435300000000, -0.0014337700000000 ] - [ -0.0000146700000000, 0.0000531500000000, -0.0008414300000000 ] - [ -0.0001259500000000, 0.0001065200000000, -0.0007731100000000 ] - [ 0.0000298900000000, -0.0001400100000000, -0.0008806200000000 ] - [ -0.0007071700000000, 0.0005939100000000, 0.0011529600000000 ] - [ 0.0032234300000000, -0.0009119600000000, 0.0040866300000000 ] - [ -0.0008219400000000, 0.0032475500000000, 0.0040866300000000 ] - [ -0.0001607600000000, -0.0009093800000000, 0.0011529600000000 ] - [ -0.0012622400000000, -0.0006924400000000, -0.0009844300000000 ] - [ -0.0024014900000000, -0.0023356000000000, 0.0040866300000000 ] - [ 0.0000906700000000, 0.0000010200000000, -0.0012853500000000 ] - [ 0.0072043500000000, 0.0123039900000000, -0.0039683100000000 ] - [ -0.0001886300000000, -0.0009555600000000, -0.0000784100000000 ] - [ -0.0011469000000000, 0.0007005100000000, -0.0008140500000000 ] - [ 0.0009937700000000, -0.0003990500000000, 0.0010511000000000 ] - [ -0.0000386900000000, -0.0000392800000000, -0.0008414300000000 ] - [ 0.0000533700000000, -0.0000138700000000, -0.0008414300000000 ] - [ 0.0001063100000000, 0.0000958800000000, -0.0008806200000000 ] - [ -0.0005398500000000, -0.0001022000000000, -0.0010360100000000 ] - [ 0.0028991400000000, -0.0048592500000000, -0.0054324300000000 ] - [ 0.0000076900000000, 0.0000873800000000, 0.0020861900000000 ] - [ 0.0001683300000000, 0.0000290500000000, -0.0008410800000000 ] - [ -0.0000424200000000, -0.0002263900000000, -0.0007158000000000 ] - [ 0.0001552300000000, 0.0000558100000000, -0.0007731100000000 ] - [ 0.0001866100000000, -0.0005410200000000, -0.0008076200000000 ] - [ 0.0027586700000000, 0.0049403500000000, -0.0054324300000000 ] - [ -0.0001688000000000, 0.0008507700000000, -0.0001604200000000 ] - [ -0.0000358200000000, 0.0000920000000000, -0.0003035600000000 ] - [ 0.0002172700000000, 0.0000764600000000, -0.0007158000000000 ] - [ 0.0000975800000000, -0.0000149800000000, -0.0003035600000000 ] - [ -0.0003771100000000, -0.0032268100000000, 0.0042220700000000 ] - [ 0.0008679300000000, 0.0003154700000000, 0.0011529600000000 ] - [ -0.0000332100000000, -0.0013434900000000, -0.0008140500000000 ] - [ -0.0000617700000000, -0.0000770200000000, -0.0003035600000000 ] - [ -0.0142577400000000, 0.0000871600000000, -0.0039683100000000 ] - [ -0.0000462200000000, 0.0000780200000000, -0.0012853500000000 ] - [ 0.0029830500000000, 0.0012868200000000, 0.0042220700000000 ] - [ -0.0001513000000000, 0.0010601500000000, 0.0010511000000000 ] - [ -0.0026059500000000, 0.0019399900000000, 0.0042220700000000 ] - [ 0.0012307900000000, -0.0007469100000000, -0.0009844300000000 ] - [ 0.0009218600000000, 0.0003144200000000, -0.0000784100000000 ] - [ -0.0000444500000000, -0.0000790300000000, -0.0012853500000000 ] - [ -0.0006523900000000, -0.0005715700000000, -0.0001604200000000 ] - [ -0.0000795200000000, -0.0000370300000000, 0.0020861900000000 ] - [ -0.0000590100000000, -0.0001603100000000, -0.0008410800000000 ] - [ -0.0004721000000000, -0.0001306300000000, -0.0014337700000000 ] - [ -0.0007332300000000, 0.0006411400000000, -0.0000784100000000 ] - [ 0.0003584300000000, -0.0004164200000000, -0.0010360100000000 ] - [ -0.0001093200000000, 0.0001312600000000, -0.0008410800000000 ] - [ 0.0008211800000000, -0.0002792000000000, -0.0001604200000000 ] - [ 0.0011801000000000, 0.0006429900000000, -0.0008140500000000 ] - [ -0.0001748500000000, 0.0001499300000000, -0.0007158000000000 ] - [ -0.0001361900000000, 0.0000441200000000, -0.0008806200000000 ] - [ 0.0070533900000000, -0.0123911400000000, -0.0039683100000000 ] - [ -0.0000292800000000, -0.0001623400000000, -0.0007731100000000 ] - [ 0.0001814200000000, 0.0005186200000000, -0.0010360100000000 ] - [ 0.0000718300000000, -0.0000503500000000, 0.0020861900000000 ] - [ 0.0001229200000000, 0.0004741600000000, -0.0014337700000000 ] - [ -0.0005618400000000, 0.0001089000000000, -0.0008076200000000 ] - [ 0.0003752300000000, 0.0004321100000000, -0.0008076200000000 ] - [ -0.0056578100000000, -0.0000811000000000, -0.0054324300000000 ] - [ -0.0008424700000000, -0.0006611000000000, 0.0010511000000000 ] - [ 0.0000314500000000, 0.0014393500000000, -0.0009844300000000 ] - [ -0.0003361700000000, -0.0007069900000000, -0.0027714700000000 ] - [ 0.0001825500000000, 0.0000791000000000, -0.0030310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.6958820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019126700000000 ] - [ -0.0019398600000000, 0.0038456000000000, -0.0024052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033046100000000 ] - [ 0.0057885500000000, 0.0006689200000000, 0.0003543100000000 ] - [ -0.0034735700000000, 0.0046785700000000, 0.0003543100000000 ] - [ -0.0023604600000000, -0.0036027700000000, -0.0024052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053355100000000 ] - [ -0.0023149700000000, -0.0053474900000000, 0.0003543100000000 ] - [ -0.0004441900000000, 0.0006446300000000, -0.0027714700000000 ] - [ 0.0007803600000000, 0.0000623600000000, -0.0027714700000000 ] - [ 0.0043003200000000, -0.0002428300000000, -0.0024052000000000 ] - [ -0.0000227700000000, -0.0001976400000000, -0.0030310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0115171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021040200000000 ] - [ -0.0001597800000000, 0.0001185400000000, -0.0030310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012518400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009448500000000 ] - [ 0.0002200900000000, -0.0004610600000000, 0.0008916000000000 ] - [ -0.0000788800000000, -0.0002289800000000, 0.0014297000000000 ] - [ 0.0008579800000000, -0.0003402800000000, 0.0013802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017183400000000 ] - [ 0.0417952300000000, 0.0785981600000000, -0.1177531300000000 ] - [ 0.0011172400000000, -0.0020869500000000, 0.0011242400000000 ] - [ 0.0012487300000000, 0.0020110300000000, 0.0011242400000000 ] - [ 0.0009812200000000, 0.0015146200000000, -0.0006011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013156200000000 ] - [ 0.0006556000000000, -0.0008937300000000, -0.0000193700000000 ] - [ -0.0002259800000000, 0.0001839200000000, 0.0010545600000000 ] - [ 0.0003780700000000, -0.0000550100000000, 0.0006365500000000 ] - [ 0.0008710100000000, -0.0000022300000000, 0.0024349600000000 ] - [ 0.0005911100000000, -0.0007014300000000, -0.0020456800000000 ] - [ -0.0001507000000000, -0.0000864100000000, 0.0019900300000000 ] - [ -0.0889656200000000, -0.0031033500000000, -0.1177531300000000 ] - [ 0.0003749900000000, 0.0006576700000000, 0.0001815700000000 ] - [ -0.0005093300000000, 0.0000399300000000, 0.0008916000000000 ] - [ 0.0020345400000000, -0.0027816000000000, -0.0015867400000000 ] - [ 0.0002722700000000, 0.0001037500000000, 0.0010545600000000 ] - [ -0.0000077500000000, -0.0002495900000000, -0.0016095500000000 ] - [ 0.0002980400000000, -0.0007083000000000, 0.0014323400000000 ] - [ -0.0023265300000000, -0.0000774000000000, 0.0009148700000000 ] - [ 0.0004461900000000, 0.0010146300000000, -0.0000193700000000 ] - [ -0.0001968000000000, 0.0001186300000000, 0.0009952000000000 ] - [ 0.0000005100000000, 0.0001737200000000, 0.0019900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033869800000000 ] - [ -0.0006317300000000, 0.0006092000000000, 0.0013617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0091824900000000 ] - [ 0.0002011400000000, 0.0001111200000000, 0.0009952000000000 ] - [ 0.0002892400000000, 0.0004211300000000, 0.0008916000000000 ] - [ 0.0019413300000000, -0.0032596000000000, -0.0012890900000000 ] - [ 0.0471703900000000, -0.0754948100000000, -0.1177531300000000 ] - [ 0.0013916700000000, 0.0031527600000000, -0.0015867400000000 ] - [ 0.0014937000000000, 0.0026413600000000, -0.0016847100000000 ] - [ -0.0018023100000000, 0.0000924500000000, -0.0006011000000000 ] - [ -0.0007236900000000, -0.0005728900000000, 0.0013802600000000 ] - [ 0.0000436700000000, -0.0000163100000000, 0.0018505100000000 ] - [ -0.0023659700000000, 0.0000759100000000, 0.0011242400000000 ] - [ -0.0001427500000000, -0.0002685200000000, 0.0048592700000000 ] - [ -0.0009030100000000, -0.0001612000000000, -0.0020456800000000 ] - [ -0.0001343000000000, 0.0009131800000000, 0.0013802600000000 ] - [ 0.0002377400000000, 0.0000461800000000, 0.0014297000000000 ] - [ -0.0034262100000000, -0.0003711600000000, -0.0015867400000000 ] - [ 0.0010962300000000, 0.0020535400000000, 0.0009148700000000 ] - [ 0.0000513300000000, -0.0001562300000000, 0.0013022200000000 ] - [ -0.0001414000000000, 0.0003549200000000, 0.0006365500000000 ] - [ -0.0007624200000000, 0.0000960400000000, 0.0014323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0061535100000000 ] - [ 0.0004643800000000, 0.0006122600000000, 0.0014323400000000 ] - [ 0.0000743500000000, -0.0002726800000000, 0.0005104800000000 ] - [ 0.0012303000000000, -0.0019761300000000, 0.0009148700000000 ] - [ 0.0018522300000000, 0.0033110400000000, -0.0012890900000000 ] - [ 0.0003039200000000, 0.0000106300000000, 0.0048592700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3354981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007671700000000 ] - [ -0.0002366700000000, -0.0002999200000000, 0.0006365500000000 ] - [ -0.0002122700000000, 0.0001315100000000, -0.0016095500000000 ] - [ 0.0001096300000000, 0.0001225700000000, 0.0013022200000000 ] - [ -0.0000462800000000, -0.0002876700000000, 0.0010545600000000 ] - [ 0.0002200300000000, 0.0001180800000000, -0.0016095500000000 ] - [ -0.0037935600000000, -0.0000514400000000, -0.0012890900000000 ] - [ -0.0000359600000000, -0.0000296600000000, 0.0018505100000000 ] - [ 0.0001501900000000, -0.0000873100000000, 0.0019900300000000 ] - [ -0.0000043400000000, -0.0002297500000000, 0.0009952000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015780700000000 ] - [ -0.0004335700000000, 0.0007554300000000, 0.0024349600000000 ] - [ -0.0004374400000000, -0.0007532000000000, 0.0024349600000000 ] - [ 0.0015406300000000, -0.0026142600000000, -0.0016847100000000 ] - [ 0.0003119000000000, 0.0008626300000000, -0.0020456800000000 ] - [ -0.0007570600000000, -0.0000040800000000, 0.0001815700000000 ] - [ 0.0008210900000000, -0.0016070700000000, -0.0006011000000000 ] - [ 0.0003820700000000, -0.0006535900000000, 0.0001815700000000 ] - [ 0.0001989700000000, 0.0002007300000000, 0.0005104800000000 ] - [ 0.0008434400000000, 0.0002425000000000, 0.0013617700000000 ] - [ -0.0001611700000000, 0.0002578900000000, 0.0048592700000000 ] - [ -0.0011017900000000, -0.0001209000000000, -0.0000193700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022763000000000 ] - [ -0.0030343300000000, -0.0000270900000000, -0.0016847100000000 ] - [ -0.0001609600000000, 0.0000336600000000, 0.0013022200000000 ] - [ -0.0002733200000000, 0.0000719500000000, 0.0005104800000000 ] - [ -0.0002117100000000, -0.0008516900000000, 0.0013617700000000 ] - [ -0.0000077100000000, 0.0000459800000000, 0.0018505100000000 ] - [ -0.0001588600000000, 0.0001828000000000, 0.0014297000000000 ] - [ -0.0003556600000000, -0.0006921100000000, 0.0007239100000000 ] - [ -0.0003721800000000, 0.0003808600000000, 0.0011564300000000 ] - [ 0.0005558800000000, 0.0000400600000000, -0.0039028400000000 ] - [ -0.0011979400000000, -0.0015853100000000, 0.0003869600000000 ] - [ -0.0000888900000000, -0.0002443500000000, 0.0010783700000000 ] - [ -0.0003126400000000, 0.0004613800000000, -0.0039028400000000 ] - [ -0.0001671700000000, 0.0001991500000000, 0.0010783700000000 ] - [ -0.0007739500000000, 0.0018301000000000, 0.0003869600000000 ] - [ 0.0007772100000000, 0.0000380500000000, 0.0007239100000000 ] - [ 0.0025451500000000, 0.0001465600000000, -0.0008016800000000 ] - [ -0.0004215600000000, 0.0006540600000000, 0.0007239100000000 ] - [ 0.0002560600000000, 0.0000452000000000, 0.0010783700000000 ] - [ -0.0013995000000000, 0.0021308800000000, -0.0008016800000000 ] - [ 0.0019718800000000, -0.0002447900000000, 0.0003869600000000 ] - [ -0.0011456500000000, -0.0022774500000000, -0.0008016800000000 ] - [ -0.0001437400000000, -0.0005127500000000, 0.0011564300000000 ] - [ -0.0002432500000000, -0.0005014400000000, -0.0039028400000000 ] - [ 0.0005159300000000, 0.0001318900000000, 0.0011564300000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004257100000000, 0.0000288100000000, -0.0001190000000000 ] - [ 0.0020008800000000, -0.0006309600000000, 0.0012294400000000 ] - [ -0.0001053200000000, 0.0001939700000000, 0.0002716800000000 ] - [ -0.0008434100000000, 0.0024295800000000, -0.0060228700000000 ] - [ -0.0001394700000000, 0.0002606800000000, -0.0002409200000000 ] - [ -0.0000227600000000, 0.0001318100000000, -0.0001018400000000 ] - [ 0.0008621200000000, 0.0000214100000000, 0.0002075400000000 ] - [ -0.0000367900000000, -0.0001973000000000, -0.0001635700000000 ] - [ -0.0000950600000000, 0.0001834500000000, 0.0001679900000000 ] - [ -0.0000188600000000, -0.0001067600000000, -0.0001167000000000 ] - [ -0.0001586900000000, 0.0011260000000000, -0.0003858000000000 ] - [ -0.0000835700000000, -0.0002561100000000, -0.0001438700000000 ] - [ -0.0013941400000000, 0.0011127100000000, 0.0053536500000000 ] - [ 0.0000434100000000, -0.0000009200000000, 0.0002298300000000 ] - [ 0.0001432900000000, -0.0000521700000000, -0.0000526600000000 ] - [ -0.0001772000000000, -0.0009745400000000, -0.0002856300000000 ] - [ 0.0009805300000000, 0.0010821600000000, -0.0004482700000000 ] - [ 0.0036399800000000, 0.0000810600000000, 0.0120813100000000 ] - [ 0.0007833700000000, -0.0017727100000000, 0.0000427000000000 ] - [ -0.0003371700000000, 0.0010393000000000, 0.0002702700000000 ] - [ -0.0000794300000000, 0.0000000100000000, -0.0000396100000000 ] - [ -0.0036498000000000, -0.0043091500000000, 0.0004432600000000 ] - [ -0.0003304400000000, -0.0002418200000000, 0.0004217800000000 ] - [ 0.0002266100000000, -0.0002475600000000, 0.0003667200000000 ] - [ -0.0038388300000000, 0.0046738500000000, 0.0004766400000000 ] - [ 0.0017416500000000, 0.0006235800000000, -0.0014804500000000 ] - [ 0.0018966100000000, -0.0007746300000000, -0.0013152600000000 ] - [ -0.0001085200000000, -0.0000909400000000, 0.0003559800000000 ] - [ -0.0002463400000000, 0.0001237700000000, -0.0001937000000000 ] - [ 0.0000158700000000, 0.0000888100000000, 0.0001655400000000 ] - [ 0.0000617000000000, 0.0000298600000000, 0.0000284200000000 ] - [ 0.0002898700000000, -0.0000575900000000, -0.0002645700000000 ] - [ 0.0002224700000000, 0.0000473200000000, 0.0002921500000000 ] - [ -0.0000142800000000, -0.0000463700000000, 0.0002287300000000 ] - [ 0.0002554000000000, 0.0001122700000000, -0.0001699000000000 ] - [ 0.0020303600000000, 0.0007290400000000, 0.0012152400000000 ] - [ -0.0001840100000000, 0.0004324600000000, -0.0005856500000000 ] - [ -0.0001440000000000, 0.0002108200000000, -0.0001696000000000 ] - [ -0.0002778000000000, -0.0005304600000000, 0.0006197400000000 ] - [ -0.0000598400000000, -0.0001218400000000, -0.0000180000000000 ] - [ 0.0011849300000000, 0.0000311900000000, -0.0113467700000000 ] - [ 0.0009443600000000, -0.0012127900000000, -0.0004820900000000 ] - [ -0.0002731700000000, -0.0009604600000000, 0.0003661100000000 ] - [ -0.0001734800000000, 0.0003669700000000, 0.0006494600000000 ] - [ 0.0109425300000000, -0.0098105100000000, -0.0000301900000000 ] - [ 0.0003536000000000, 0.0001368000000000, 0.0004231300000000 ] - [ -0.0014346800000000, -0.0011218200000000, 0.0051728300000000 ] - [ 0.0006683800000000, 0.0018639900000000, 0.0000681400000000 ] - [ 0.0081393300000000, 0.0058982500000000, -0.0002787200000000 ] - [ 0.0009905100000000, 0.0010110900000000, 0.0004536400000000 ] - [ -0.0000523100000000, -0.0000462800000000, 0.0002280900000000 ] - [ -0.0005578900000000, 0.0001159100000000, 0.0004271000000000 ] - [ -0.0010294800000000, -0.0024381400000000, -0.0057425000000000 ] - [ -0.0000584800000000, 0.0001290900000000, -0.0000720800000000 ] - [ 0.0003525600000000, 0.0001048400000000, -0.0002116800000000 ] - [ 0.0042896200000000, -0.0000360900000000, 0.0000358100000000 ] - [ -0.0001495400000000, -0.0003194800000000, -0.0006214900000000 ] - [ -0.0002929800000000, -0.0002334600000000, 0.0003460900000000 ] - [ 0.0078458800000000, -0.0060151300000000, -0.0003230200000000 ] - [ 0.0109593700000000, 0.0097594200000000, 0.0007033100000000 ] - [ 0.0010317500000000, -0.0010396100000000, 0.0003417300000000 ] - [ -0.0002350300000000, -0.0001650300000000, -0.0001643400000000 ] - [ 0.0000556800000000, -0.0000003600000000, 0.0000394700000000 ] - [ 0.0005567400000000, -0.0000270500000000, 0.0029282700000000 ] - [ -0.0076217300000000, 0.0089308100000000, 0.0022949000000000 ] - [ 0.0007022700000000, 0.0002625700000000, 0.0000842100000000 ] - [ -0.7250732800000000, -0.0004570000000000, 0.0065695900000000 ] - [ 0.0053091100000000, 0.0001364700000000, 0.0081939000000000 ] - [ 0.0034944300000000, 0.0037357900000000, -0.0004993200000000 ] - [ 0.0001526300000000, 0.0000011700000000, 0.0004542800000000 ] - [ 0.0006561300000000, 0.0003178700000000, -0.0003348500000000 ] - [ 0.0000306900000000, 0.0000378500000000, -0.0002101500000000 ] - [ -0.0003453700000000, 0.0001731900000000, -0.0002021500000000 ] - [ -0.0036783400000000, -0.0050494300000000, -0.0039727700000000 ] - [ -0.0014034200000000, 0.0000188500000000, 0.0000781600000000 ] - [ 0.0003124400000000, -0.0001767100000000, -0.0002918200000000 ] - [ -0.0003393400000000, 0.0004614400000000, -0.0010534500000000 ] - [ -0.0002362500000000, -0.0004159300000000, -0.0009803000000000 ] - [ -0.0032462700000000, 0.0046022500000000, -0.0043310500000000 ] - [ -0.0076262500000000, -0.0090185200000000, 0.0023136200000000 ] - [ -0.0002603000000000, -0.0000050000000000, -0.0002930600000000 ] - [ 0.0001199700000000, 0.0000076800000000, -0.0002961200000000 ] - [ 0.0036911000000000, -0.0037301200000000, 0.0003445600000000 ] - [ 0.0078094500000000, -0.0002211600000000, -0.0042629500000000 ] - [ 0.0028785100000000, -0.0000030200000000, -0.0001268800000000 ] - [ -0.0004400400000000, -0.0000007300000000, -0.0001187800000000 ] - [ -0.0003434800000000, 0.0000004700000000, 0.0001637600000000 ] - [ -0.0027636300000000, 0.0025806300000000, -0.0001835600000000 ] - [ 0.0008356700000000, -0.0027937000000000, 0.0004827900000000 ] - [ 0.0007279700000000, -0.0000626300000000, 0.0005050100000000 ] - [ 0.0001163100000000, -0.0000008200000000, 0.0005298900000000 ] - [ -0.0003511200000000, -0.0000723800000000, -0.0001742600000000 ] - [ -0.0008643700000000, 0.0004237200000000, -0.0021111300000000 ] - [ 0.0025318400000000, 0.0003616100000000, 0.0006154800000000 ] - [ 0.0011343600000000, 0.0032519100000000, 0.0013390300000000 ] - [ -0.0009830300000000, 0.0007023500000000, -0.0004035900000000 ] - [ 0.0000660400000000, -0.0000438700000000, 0.0002317100000000 ] - [ -0.0001648900000000, 0.0000520500000000, 0.0005266700000000 ] - [ 0.0004606300000000, 0.0000495600000000, 0.0003647700000000 ] - [ -0.0032644100000000, -0.0000624700000000, -0.0008087100000000 ] - [ 0.0006514900000000, -0.0003973900000000, -0.0004716000000000 ] - [ 0.0000167700000000, 0.0003401600000000, 0.0009283900000000 ] - [ -0.0005967100000000, 0.0001510400000000, -0.0005212100000000 ] - [ 0.1528757900000000, 0.1132878600000000, -0.0469309900000000 ] - [ -0.0026387300000000, 0.0000006700000000, 0.0004320800000000 ] - [ 0.0001261100000000, 0.0001319500000000, -0.0001269100000000 ] - [ 0.0006842400000000, 0.0001749600000000, 0.0004693300000000 ] - [ -0.0001381600000000, 0.0000380800000000, 0.0000406100000000 ] - [ -0.0045199300000000, -0.0000682700000000, -0.0048045000000000 ] - [ -0.0003875200000000, -0.0020203400000000, 0.0007656400000000 ] - [ -0.0000719300000000, 0.0000330900000000, 0.0002031600000000 ] - [ 0.0014590300000000, -0.0074678000000000, -0.0043864200000000 ] - [ -0.0007129700000000, 0.0000533300000000, -0.0022045700000000 ] - [ 0.0002825700000000, -0.0000016200000000, -0.0000163700000000 ] - [ -0.0002088500000000, 0.0007194000000000, 0.0005019000000000 ] - [ -0.0008789800000000, -0.0006587800000000, 0.0008143500000000 ] - [ 0.0042305200000000, 0.0004233800000000, 0.0012377400000000 ] - [ -0.0002941900000000, 0.0016993300000000, 0.0001347700000000 ] - [ -0.0000195400000000, -0.0000326700000000, -0.0001666700000000 ] - [ -0.0000728800000000, -0.0002117300000000, -0.0002807500000000 ] - [ -0.0004262100000000, -0.0000009100000000, -0.0001229500000000 ] - [ 0.0000809700000000, 0.0002077700000000, -0.0000327900000000 ] - [ 0.0025916500000000, -0.0002600900000000, 0.0003022100000000 ] - [ -0.0000668400000000, -0.0001190500000000, 0.0005402700000000 ] - [ 0.0015315800000000, 0.0015483900000000, -0.0015211000000000 ] - [ 0.0010109300000000, -0.0029566800000000, 0.0013475900000000 ] - [ -0.0000624800000000, -0.0000819400000000, 0.0001531200000000 ] - [ 0.0008524900000000, -0.0000407300000000, -0.0000171800000000 ] - [ -0.0000912200000000, 0.0000322500000000, -0.0004075500000000 ] - [ -0.0045769800000000, 0.0001372100000000, -0.0001401200000000 ] - [ 0.0001151600000000, -0.0001499400000000, -0.0001235400000000 ] - [ -0.0002805200000000, 0.0021030600000000, 0.0006578500000000 ] - [ 0.0040580700000000, -0.0005468500000000, 0.0016752600000000 ] - [ -0.0003091500000000, 0.0004944200000000, 0.0004186200000000 ] - [ 0.0013438700000000, -0.0033932300000000, 0.0022332100000000 ] - [ -0.0000675700000000, -0.0000147200000000, 0.0005330000000000 ] - [ 0.0017042500000000, 0.0033373500000000, 0.0019956000000000 ] - [ 0.0000509200000000, 0.0000513800000000, 0.0001587200000000 ] - [ -0.0043012800000000, -0.0001052100000000, -0.0021802500000000 ] - [ 0.0000088800000000, -0.0000887100000000, -0.0000965400000000 ] - [ 0.0000156000000000, -0.0000343500000000, 0.0001623500000000 ] - [ -0.0001260700000000, -0.0000698400000000, -0.0000185100000000 ] - [ -0.0000397100000000, -0.0000014200000000, -0.0004371900000000 ] - [ -0.0003660500000000, -0.0004940400000000, 0.0004181100000000 ] - [ -0.0002752200000000, 0.0000680600000000, 0.0000265100000000 ] - [ -0.0035683100000000, 0.0007579000000000, 0.0031409500000000 ] - [ 0.0000358700000000, -0.0000776700000000, -0.0004335100000000 ] - [ -0.0004157700000000, -0.0003830300000000, -0.0000633800000000 ] - [ 0.0001031000000000, 0.0001852400000000, -0.0002421900000000 ] - [ -0.0012354400000000, -0.0000067600000000, 0.0022404500000000 ] - [ 0.0001693600000000, -0.0004321500000000, 0.0009834800000000 ] - [ -0.0036463300000000, -0.0005467600000000, 0.0026503800000000 ] - [ 0.0882868900000000, 0.0000295100000000, 0.0000319200000000 ] - [ 0.0001301100000000, -0.0023503000000000, -0.0005257900000000 ] - [ -0.0023652700000000, -0.0019558500000000, -0.0001133600000000 ] - [ 0.0001892100000000, -0.0003240700000000, -0.0002117200000000 ] - [ 0.0006520500000000, 0.0004212000000000, -0.0004796400000000 ] - [ 0.3244172200000000, -0.0034557400000000, 0.0840825000000000 ] - [ -0.0011828700000000, -0.0002289800000000, -0.0023970900000000 ] - [ 0.1463133200000000, -0.1094212400000000, -0.0448576600000000 ] - [ 0.0000523300000000, -0.0000433200000000, 0.0001608200000000 ] - [ -0.0006043600000000, -0.0001334700000000, -0.0004605100000000 ] - [ -0.0001120400000000, 0.0000875700000000, 0.0001594100000000 ] - [ -0.0000000400000000, 0.0000029800000000, 0.0002303800000000 ] - [ -0.0003757500000000, -0.0000325200000000, -0.0000403400000000 ] - [ -0.0001941500000000, 0.0000173400000000, -0.0001282700000000 ] - [ 0.0012771200000000, 0.0073881300000000, -0.0039871200000000 ] - [ 0.0002208700000000, -0.0000029600000000, 0.0001531000000000 ] - [ -0.0004114200000000, -0.0006105000000000, 0.0005206000000000 ] - [ 0.0013983500000000, -0.0014627300000000, -0.0014895500000000 ] - [ 0.0005739300000000, 0.0026925700000000, 0.0004860400000000 ] - [ -0.0080251600000000, -0.0003155600000000, 0.0040074900000000 ] - [ -0.0001750600000000, -0.0000951600000000, 0.0003565900000000 ] - [ 0.0000703400000000, -0.0001140700000000, 0.0002792800000000 ] - [ -0.0002110300000000, 0.0000404700000000, 0.0001754800000000 ] - [ -0.0068986900000000, 0.0002101500000000, -0.0029005600000000 ] - [ -0.0001045700000000, -0.0000001000000000, -0.0003003800000000 ] - [ -0.0015821200000000, -0.0031761300000000, 0.0015035600000000 ] - [ 0.0000712800000000, 0.0001989700000000, 0.0001501700000000 ] - [ -0.0015782100000000, 0.0036936900000000, -0.0019798800000000 ] - [ 0.0001732900000000, 0.0004833300000000, -0.0009334900000000 ] - [ -0.0014751900000000, -0.0039087100000000, -0.0021110300000000 ] - [ -0.0012624100000000, 0.0031773600000000, 0.0014646400000000 ] - [ 0.0000712700000000, -0.0004827800000000, -0.0010154400000000 ] - [ 0.0001380400000000, -0.0002348200000000, 0.0001768900000000 ] - [ -0.0007003900000000, 0.0000613900000000, 0.0008846500000000 ] - [ 0.0001893700000000, 0.0001045700000000, -0.0000320400000000 ] - [ 0.0000703100000000, 0.0000954400000000, 0.0002523400000000 ] - [ 0.0000034200000000, -0.0000061800000000, -0.0000293300000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003730200000000, 0.0003882700000000, 0.0005477000000000 ] - [ -0.0021070900000000, 0.0008612300000000, -0.0008986700000000 ] - [ 0.0000534900000000, -0.0000886700000000, 0.0000123800000000 ] - [ 0.0008266700000000, -0.0026977200000000, 0.0062511700000000 ] - [ -0.0001097300000000, 0.0001858800000000, -0.0002031800000000 ] - [ -0.0001982800000000, -0.0005159100000000, 0.0000948000000000 ] - [ -0.0004075000000000, -0.0000168900000000, -0.0002122600000000 ] - [ -0.0002234800000000, -0.0002515900000000, -0.0002755500000000 ] - [ -0.0000302400000000, 0.0000576900000000, -0.0000461200000000 ] - [ -0.0002153000000000, 0.0004963000000000, 0.0001056200000000 ] - [ 0.0001697900000000, -0.0008390400000000, 0.0006222800000000 ] - [ -0.0000561000000000, -0.0001814600000000, -0.0001056700000000 ] - [ 0.0011707200000000, -0.0014948600000000, -0.0059317400000000 ] - [ -0.0000124000000000, -0.0001546000000000, 0.0002742400000000 ] - [ 0.0002866500000000, -0.0000546000000000, -0.0002040700000000 ] - [ 0.0000573200000000, 0.0007724300000000, 0.0006249200000000 ] - [ -0.0007280900000000, -0.0010588400000000, 0.0007803800000000 ] - [ -0.0033999600000000, 0.0000774000000000, -0.0118850800000000 ] - [ -0.0008137700000000, 0.0020652600000000, 0.0000652300000000 ] - [ 0.0001416300000000, -0.0006137400000000, -0.0008571300000000 ] - [ 0.0005338300000000, -0.0000066300000000, 0.0000268700000000 ] - [ 0.0039058900000000, 0.0044210900000000, -0.0003363500000000 ] - [ 0.0003859200000000, -0.0001885400000000, 0.0000125300000000 ] - [ -0.0001100300000000, 0.0002548800000000, -0.0000830100000000 ] - [ 0.0041014200000000, -0.0046571800000000, 0.0001040800000000 ] - [ -0.0019916800000000, -0.0010069000000000, 0.0009003500000000 ] - [ -0.0020030500000000, 0.0009888400000000, 0.0009875900000000 ] - [ -0.0000414200000000, 0.0000395700000000, 0.0001477400000000 ] - [ 0.0005767000000000, 0.0001306600000000, 0.0006253800000000 ] - [ 0.0000004400000000, 0.0000686000000000, 0.0003339700000000 ] - [ 0.0006861100000000, -0.0000430800000000, 0.0000115800000000 ] - [ 0.0002217400000000, 0.0000650900000000, -0.0001790700000000 ] - [ -0.0000942900000000, 0.0000461100000000, 0.0002071000000000 ] - [ 0.0001437200000000, -0.0000606200000000, 0.0002705900000000 ] - [ 0.0001821300000000, -0.0000089800000000, -0.0000883700000000 ] - [ -0.0022718000000000, -0.0008575000000000, -0.0009741900000000 ] - [ -0.0001981300000000, 0.0002087800000000, 0.0006287400000000 ] - [ 0.0000156900000000, 0.0002189400000000, -0.0000887200000000 ] - [ -0.0001030700000000, -0.0001254100000000, -0.0005777400000000 ] - [ -0.0000707500000000, -0.0001030500000000, 0.0001430300000000 ] - [ -0.0007502200000000, 0.0000150700000000, 0.0108498700000000 ] - [ -0.0007117600000000, 0.0010226700000000, 0.0007169600000000 ] - [ 0.0001614600000000, 0.0007717300000000, -0.0007072100000000 ] - [ -0.0000522700000000, 0.0000298300000000, -0.0006552100000000 ] - [ -0.0110546000000000, 0.0095806500000000, 0.0001034500000000 ] - [ -0.0000121400000000, -0.0003865800000000, 0.0000081000000000 ] - [ 0.0011228400000000, 0.0014647400000000, -0.0057507200000000 ] - [ -0.0009158700000000, -0.0020413400000000, 0.0000308400000000 ] - [ -0.0083089900000000, -0.0056392200000000, 0.0003832300000000 ] - [ -0.0007590100000000, -0.0009946800000000, -0.0007850100000000 ] - [ -0.0001056700000000, 0.0001047100000000, 0.0002707000000000 ] - [ 0.0001729100000000, 0.0000511400000000, 0.0000065900000000 ] - [ 0.0007225400000000, 0.0025431200000000, 0.0059676400000000 ] - [ -0.0002498900000000, 0.0001904500000000, -0.0001840000000000 ] - [ -0.0004159000000000, -0.0002141800000000, 0.0004844600000000 ] - [ -0.0040137600000000, -0.0000784700000000, 0.0000662200000000 ] - [ -0.0000702300000000, -0.0000635900000000, 0.0006156500000000 ] - [ -0.0001093500000000, 0.0000619000000000, 0.0000837700000000 ] - [ -0.0079215600000000, 0.0056913000000000, 0.0008984500000000 ] - [ -0.0111724500000000, -0.0095870000000000, -0.0001451900000000 ] - [ -0.0005734100000000, 0.0009661000000000, -0.0009243100000000 ] - [ -0.0000733800000000, -0.0001736000000000, -0.0000859600000000 ] - [ 0.0002167200000000, 0.0000115400000000, 0.0000809300000000 ] - [ -0.0004982800000000, -0.0000632600000000, -0.0023342100000000 ] - [ 0.0075859100000000, -0.0088082900000000, -0.0020486600000000 ] - [ -0.0006943200000000, -0.0002741600000000, 0.0000844100000000 ] - [ 0.7461318500000000, -0.0004581500000000, 0.0067706200000000 ] - [ -0.0050256200000000, 0.0003509600000000, -0.0081962900000000 ] - [ -0.0034857200000000, -0.0037575500000000, -0.0004980700000000 ] - [ -0.0001514500000000, 0.0000010100000000, 0.0004525600000000 ] - [ -0.0006543800000000, -0.0003114100000000, -0.0003349700000000 ] - [ 0.0002045000000000, 0.0003717300000000, -0.0002545500000000 ] - [ -0.0001218500000000, -0.0001733400000000, -0.0002691400000000 ] - [ 0.0031427800000000, 0.0050538000000000, 0.0038600800000000 ] - [ 0.0013985800000000, -0.0000154400000000, 0.0000784300000000 ] - [ -0.0000783000000000, -0.0002258700000000, -0.0001787800000000 ] - [ 0.0002310800000000, -0.0004610900000000, 0.0016467600000000 ] - [ 0.0002885900000000, 0.0005116300000000, 0.0015791700000000 ] - [ 0.0035607100000000, -0.0050962900000000, 0.0042227300000000 ] - [ 0.0077919400000000, 0.0090055000000000, -0.0020662400000000 ] - [ 0.0002749200000000, -0.0000044000000000, -0.0002923900000000 ] - [ -0.0001347200000000, 0.0000003200000000, -0.0002954300000000 ] - [ -0.0036811000000000, 0.0037531900000000, 0.0003442900000000 ] - [ -0.0078495200000000, 0.0001041000000000, 0.0044620300000000 ] - [ -0.0028721400000000, -0.0000011000000000, -0.0001274000000000 ] - [ 0.0004359400000000, 0.0000007500000000, -0.0001193800000000 ] - [ 0.0003441800000000, 0.0000011700000000, 0.0001641700000000 ] - [ 0.0028811800000000, -0.0027918700000000, 0.0004418400000000 ] - [ -0.0004199400000000, 0.0029583700000000, 0.0000694700000000 ] - [ -0.0001006300000000, 0.0000588700000000, -0.0000813400000000 ] - [ -0.0001167200000000, -0.0000001900000000, 0.0005277600000000 ] - [ 0.0005486300000000, 0.0003522800000000, -0.0004787900000000 ] - [ 0.0010283200000000, -0.0001385900000000, 0.0019956200000000 ] - [ -0.0028489800000000, -0.0003480400000000, -0.0007041600000000 ] - [ -0.0008771200000000, -0.0031142100000000, -0.0018365900000000 ] - [ 0.0009790700000000, -0.0007107100000000, -0.0004034300000000 ] - [ 0.0000175600000000, 0.0000393400000000, 0.0002119000000000 ] - [ -0.0003336500000000, 0.0003351300000000, -0.0001522400000000 ] - [ 0.0006434300000000, -0.0000447800000000, 0.0004360100000000 ] - [ 0.0015979500000000, 0.0000193400000000, -0.0001576900000000 ] - [ -0.0004471100000000, 0.0001198400000000, -0.0001744600000000 ] - [ -0.0001063100000000, -0.0004996900000000, -0.0011261300000000 ] - [ 0.0002546900000000, -0.0001119500000000, -0.0001313500000000 ] - [ -0.1507817200000000, -0.1071625900000000, 0.0439748800000000 ] - [ 0.0024030400000000, -0.0000083200000000, -0.0001759300000000 ] - [ 0.0001443500000000, 0.0003121800000000, -0.0001211600000000 ] - [ -0.0001195200000000, 0.0000651000000000, -0.0000947900000000 ] - [ 0.0000157700000000, 0.0001716100000000, -0.0000378300000000 ] - [ 0.0043468400000000, -0.0001619500000000, 0.0043756200000000 ] - [ 0.0003792400000000, 0.0023267300000000, -0.0012611400000000 ] - [ 0.0000259400000000, 0.0000368100000000, 0.0002396700000000 ] - [ -0.0012476100000000, 0.0070836400000000, 0.0040533100000000 ] - [ 0.0006141600000000, 0.0000944700000000, 0.0020078100000000 ] - [ -0.0002813100000000, 0.0000045600000000, -0.0000164700000000 ] - [ 0.0001366300000000, -0.0001119600000000, -0.0001276700000000 ] - [ 0.0008740700000000, 0.0006609300000000, 0.0008138100000000 ] - [ -0.0046940000000000, -0.0004000600000000, -0.0015897800000000 ] - [ 0.0004042300000000, -0.0015135200000000, 0.0001174000000000 ] - [ -0.0001918700000000, 0.0000243200000000, -0.0001696800000000 ] - [ 0.0002072500000000, -0.0000891400000000, -0.0003665300000000 ] - [ -0.0000962900000000, 0.0000078900000000, -0.0001256600000000 ] - [ 0.0001674200000000, 0.0002473500000000, -0.0002152100000000 ] - [ -0.0028647300000000, 0.0004182900000000, -0.0007979200000000 ] - [ -0.0002449000000000, -0.0004234400000000, -0.0001141100000000 ] - [ -0.0014061300000000, -0.0015406600000000, 0.0009990200000000 ] - [ -0.0008614900000000, 0.0027076900000000, -0.0014402700000000 ] - [ -0.0000156600000000, -0.0000634500000000, 0.0001634000000000 ] - [ -0.0011872200000000, 0.0000059900000000, -0.0006284600000000 ] - [ -0.0002278700000000, 0.0005078000000000, 0.0008315000000000 ] - [ 0.0041991400000000, 0.0001396100000000, 0.0006963100000000 ] - [ 0.0001416200000000, -0.0003268700000000, -0.0001262800000000 ] - [ 0.0005472400000000, -0.0022434400000000, -0.0011544000000000 ] - [ -0.0044231300000000, 0.0002572500000000, -0.0011437300000000 ] - [ -0.0002388100000000, 0.0004641400000000, 0.0003821800000000 ] - [ -0.0014905000000000, 0.0036348500000000, -0.0025955800000000 ] - [ 0.0000669700000000, 0.0000139200000000, 0.0005308500000000 ] - [ -0.0014472500000000, -0.0033285700000000, -0.0023556300000000 ] - [ -0.0001380900000000, 0.0001041800000000, 0.0001523000000000 ] - [ 0.0040270900000000, -0.0000519600000000, 0.0016580500000000 ] - [ 0.0000891300000000, -0.0000994100000000, -0.0002404300000000 ] - [ 0.0001613700000000, 0.0000366300000000, 0.0001501400000000 ] - [ 0.0001272800000000, 0.0000742500000000, -0.0000185000000000 ] - [ 0.0000414700000000, 0.0000043900000000, -0.0004367600000000 ] - [ -0.0001842500000000, -0.0004594500000000, 0.0003831500000000 ] - [ 0.0005195200000000, -0.0000696300000000, -0.0000237800000000 ] - [ 0.0039765700000000, -0.0009379600000000, -0.0025641600000000 ] - [ -0.0001120400000000, -0.0005429600000000, 0.0008076900000000 ] - [ 0.0002929100000000, 0.0001689100000000, 0.0000652900000000 ] - [ -0.0000006900000000, -0.0000088000000000, -0.0000944000000000 ] - [ 0.0011730000000000, -0.0000970400000000, -0.0027313700000000 ] - [ 0.0000088000000000, 0.0004244200000000, -0.0011812700000000 ] - [ 0.0038544000000000, 0.0009345500000000, -0.0029606700000000 ] - [ -0.0883674100000000, -0.0000311100000000, 0.0000286400000000 ] - [ 0.0007302600000000, 0.0009480800000000, -0.0004375800000000 ] - [ 0.0031513600000000, 0.0034247500000000, -0.0008531000000000 ] - [ 0.0000786300000000, -0.0001247500000000, -0.0000362500000000 ] - [ -0.0005097100000000, -0.0001119600000000, -0.0001659500000000 ] - [ -0.3488896600000000, 0.0038731300000000, -0.0940215000000000 ] - [ 0.0011828600000000, -0.0000873500000000, 0.0018778500000000 ] - [ -0.1447025900000000, 0.1037655700000000, 0.0421429400000000 ] - [ -0.0001397100000000, -0.0000978700000000, 0.0001541500000000 ] - [ 0.0011864800000000, -0.0001060100000000, 0.0008344000000000 ] - [ 0.0000291800000000, 0.0000473900000000, 0.0001586800000000 ] - [ -0.0000442100000000, -0.0000803100000000, 0.0002140500000000 ] - [ 0.0003718500000000, 0.0000240700000000, -0.0000404400000000 ] - [ -0.0003463000000000, -0.0000338800000000, -0.0001210200000000 ] - [ -0.0013542200000000, -0.0069342100000000, 0.0045383100000000 ] - [ -0.0000614800000000, -0.0000012900000000, 0.0001634700000000 ] - [ -0.0000875700000000, 0.0002367900000000, -0.0001466600000000 ] - [ -0.0014631900000000, 0.0015772600000000, 0.0009688700000000 ] - [ -0.0006432600000000, -0.0031204100000000, 0.0000642600000000 ] - [ 0.0081027700000000, 0.0002305600000000, -0.0040714100000000 ] - [ 0.0000601300000000, -0.0001046800000000, -0.0001589800000000 ] - [ -0.0000742100000000, 0.0000959300000000, -0.0001231400000000 ] - [ -0.0002473600000000, -0.0000344200000000, 0.0001598100000000 ] - [ 0.0069112500000000, -0.0002574100000000, 0.0029536600000000 ] - [ 0.0001029600000000, -0.0000046100000000, 0.0004511200000000 ] - [ 0.0015484400000000, 0.0031710100000000, -0.0014617200000000 ] - [ 0.0001625600000000, 0.0002052300000000, 0.0001836600000000 ] - [ 0.0016356600000000, -0.0036108200000000, 0.0019242500000000 ] - [ -0.0001533800000000, -0.0004526700000000, 0.0002287000000000 ] - [ 0.0013948900000000, 0.0038960300000000, 0.0020627700000000 ] - [ 0.0013066400000000, -0.0031300600000000, -0.0014255700000000 ] - [ -0.0000826300000000, 0.0004884100000000, 0.0003058300000000 ] - [ 0.0000959100000000, -0.0001595700000000, 0.0001583200000000 ] - [ 0.0007110400000000, -0.0000709300000000, -0.0016002000000000 ] - [ 0.0000479400000000, -0.0001015100000000, 0.0002242400000000 ] - [ -0.0000848300000000, -0.0001067200000000, -0.0000961300000000 ] - [ -0.0001200500000000, 0.0002126600000000, 0.0002221500000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001492000000000, 0.0004249600000000, 0.0010751100000000 ] - [ 0.0004425000000000, -0.0002547900000000, 0.0001834300000000 ] - [ -0.0000960600000000, 0.0002582800000000, 0.0010278500000000 ] - [ -0.0024476600000000, -0.0043138900000000, 0.0041970800000000 ] - [ -0.0000744900000000, 0.0000166800000000, 0.0006280600000000 ] - [ -0.0001433100000000, -0.0002219700000000, 0.0004060700000000 ] - [ 0.0002638900000000, -0.0000131200000000, 0.0004060700000000 ] - [ 0.0000228000000000, -0.0000728500000000, 0.0006280600000000 ] - [ -0.0000119600000000, 0.0000511000000000, 0.0011745700000000 ] - [ -0.0001205800000000, 0.0002350900000000, 0.0004060700000000 ] - [ 0.0000361900000000, -0.0004715400000000, 0.0000122300000000 ] - [ -0.0000635400000000, -0.0000899100000000, 0.0007579500000000 ] - [ 0.0072128100000000, 0.0122523300000000, 0.0029538100000000 ] - [ 0.0000307400000000, 0.0000009900000000, 0.0012770200000000 ] - [ 0.0008737200000000, -0.0000494100000000, 0.0014272200000000 ] - [ -0.0000005900000000, 0.0005106100000000, 0.0001834300000000 ] - [ -0.0004419100000000, -0.0002558200000000, 0.0001834300000000 ] - [ 0.0049597700000000, 0.0000372100000000, 0.0041970800000000 ] - [ -0.0003762000000000, 0.0006421100000000, -0.0018273700000000 ] - [ -0.0000426400000000, 0.0008819200000000, -0.0014887900000000 ] - [ 0.0001136400000000, -0.0014116800000000, 0.0010234000000000 ] - [ 0.0010052800000000, 0.0034894900000000, -0.0035228000000000 ] - [ 0.0003227400000000, 0.0002851900000000, 0.0017510800000000 ] - [ 0.0002717100000000, -0.0000459500000000, 0.0010278500000000 ] - [ 0.0009480700000000, -0.0036582900000000, -0.0030901800000000 ] - [ -0.0007424500000000, -0.0004778900000000, -0.0014887900000000 ] - [ -0.0005992400000000, 0.0002629400000000, -0.0015483300000000 ] - [ -0.0000002200000000, 0.0000151900000000, 0.0013506900000000 ] - [ -0.0004083600000000, 0.0001369100000000, 0.0017510800000000 ] - [ 0.0000132600000000, -0.0000074000000000, 0.0013506900000000 ] - [ 0.0004042500000000, 0.0014120000000000, 0.0010344100000000 ] - [ 0.0000516900000000, 0.0000561700000000, 0.0006280600000000 ] - [ -0.0000162300000000, 0.0000261200000000, 0.0012770200000000 ] - [ -0.0000130400000000, -0.0000077800000000, 0.0013506900000000 ] - [ 0.0001096400000000, -0.0000100700000000, 0.0007579500000000 ] - [ 0.0003902700000000, 0.0002671200000000, 0.0000122300000000 ] - [ -0.0014249500000000, -0.0003559100000000, 0.0010344100000000 ] - [ -0.0003940700000000, 0.0007813700000000, 0.0014272200000000 ] - [ 0.0010207000000000, -0.0010560900000000, 0.0010344100000000 ] - [ -0.0000382800000000, -0.0000359100000000, 0.0011745700000000 ] - [ -0.0142172400000000, 0.0001203100000000, 0.0029538100000000 ] - [ -0.0004264600000000, 0.0002044300000000, 0.0000122300000000 ] - [ 0.0000719000000000, -0.0006504200000000, -0.0015483300000000 ] - [ 0.0011657300000000, 0.0008042600000000, 0.0010234000000000 ] - [ 0.0025193400000000, -0.0026153400000000, -0.0035228000000000 ] - [ 0.0004426300000000, -0.0000832700000000, 0.0010751100000000 ] - [ 0.0070044300000000, -0.0123726400000000, 0.0029538100000000 ] - [ -0.0003679900000000, -0.0006468600000000, -0.0018273700000000 ] - [ -0.0035246300000000, -0.0008741400000000, -0.0035228000000000 ] - [ 0.0005273300000000, 0.0003874800000000, -0.0015483300000000 ] - [ -0.0000145100000000, -0.0000271200000000, 0.0012770200000000 ] - [ 0.0000856100000000, -0.0004221000000000, 0.0017510800000000 ] - [ -0.0025121100000000, 0.0042766800000000, 0.0041970800000000 ] - [ -0.0000460900000000, 0.0000999900000000, 0.0007579500000000 ] - [ -0.0001756500000000, -0.0002123300000000, 0.0010278500000000 ] - [ 0.0007441900000000, 0.0000047400000000, -0.0018273700000000 ] - [ -0.0012793800000000, 0.0006074300000000, 0.0010234000000000 ] - [ -0.0002934300000000, -0.0003416900000000, 0.0010751100000000 ] - [ -0.0036422000000000, 0.0010080900000000, -0.0030901800000000 ] - [ 0.0026941300000000, 0.0026502000000000, -0.0030901800000000 ] - [ 0.0007850800000000, -0.0004040400000000, -0.0014887900000000 ] - [ -0.0004796500000000, -0.0007319600000000, 0.0014272200000000 ] - [ 0.0000502400000000, -0.0000151900000000, 0.0011745700000000 ] - [ 0.0005503900000000, -0.0000316200000000, 0.0030933200000000 ] - [ 0.0020193700000000, 0.0036451400000000, 0.0021767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.7028173599999999 ] - [ 0.0079885900000000, -0.0001131900000000, -0.0085770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0053952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005068000000000 ] - [ 0.0005273700000000, -0.0004857000000000, 0.0028587600000000 ] - [ 0.0001569400000000, 0.0006995700000000, 0.0028587600000000 ] - [ -0.0038962700000000, 0.0069749200000000, -0.0085770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105486700000000 ] - [ -0.0006843100000000, -0.0002138700000000, 0.0028587600000000 ] - [ -0.0003025700000000, -0.0004608400000000, 0.0030933200000000 ] - [ -0.0002478100000000, 0.0004924600000000, 0.0030933200000000 ] - [ -0.0040923300000000, -0.0068617200000000, -0.0085770300000000 ] - [ 0.0021471000000000, -0.0035714000000000, 0.0021767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043186300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025015700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032077400000000 ] - [ -0.0041664700000000, -0.0000737400000000, 0.0021767500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038554800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001987100000000 ] - [ 0.0000662200000000, -0.0004118500000000, 0.0016600500000000 ] - [ -0.0006274800000000, -0.0013632500000000, 0.0007381600000000 ] - [ 0.0001499500000000, 0.0002128100000000, -0.0007901000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027199600000000 ] - [ 0.0003241500000000, 0.0003583700000000, -0.0006609900000000 ] - [ -0.0044147400000000, -0.0003653600000000, 0.0017443200000000 ] - [ 0.0025237800000000, -0.0036406000000000, 0.0017443200000000 ] - [ 0.0019039200000000, -0.0042010600000000, 0.0015443300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017640700000000 ] - [ -0.0000403400000000, -0.0000909800000000, -0.0018254200000000 ] - [ 0.0000099600000000, 0.0001407000000000, -0.0008245200000000 ] - [ 0.0002380500000000, 0.0000021000000000, -0.0005569500000000 ] - [ -0.0001261000000000, -0.0001960000000000, 0.0011189800000000 ] - [ 0.0000174000000000, 0.0000332800000000, -0.0046122800000000 ] - [ 0.0001681700000000, -0.0004368500000000, -0.0018868100000000 ] - [ -0.0004724400000000, 0.0001015300000000, -0.0006609900000000 ] - [ -0.0438859700000000, -0.0738592800000000, 0.1171661600000000 ] - [ -0.0003897900000000, 0.0001485800000000, 0.0016600500000000 ] - [ 0.0001243500000000, 0.0002286900000000, -0.0009741700000000 ] - [ 0.0001168700000000, -0.0000789700000000, -0.0008245200000000 ] - [ -0.0000794200000000, 0.0002839800000000, -0.0002002700000000 ] - [ -0.0005639100000000, -0.0000173400000000, 0.0058607200000000 ] - [ 0.0011577800000000, 0.0019904900000000, 0.0012775500000000 ] - [ 0.0000989600000000, 0.0000105500000000, -0.0018254200000000 ] - [ -0.0009073500000000, -0.0023449700000000, -0.0012437900000000 ] - [ -0.0004624100000000, 0.0000727800000000, -0.0018868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052421700000000 ] - [ 0.0002527000000000, -0.0001659800000000, -0.0008483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040479100000000 ] - [ -0.0015771300000000, 0.0019582700000000, -0.0012437900000000 ] - [ 0.0003235600000000, 0.0002632800000000, 0.0016600500000000 ] - [ -0.0006110000000000, -0.0003444900000000, -0.0013215100000000 ] - [ 0.0001482900000000, -0.0004599100000000, -0.0006609900000000 ] - [ -0.0002602300000000, -0.0000066600000000, -0.0009741700000000 ] - [ 0.0007487800000000, 0.0005342100000000, -0.0013325600000000 ] - [ 0.0026862700000000, 0.0037493700000000, 0.0015443300000000 ] - [ 0.0001093200000000, -0.0002362700000000, -0.0007901000000000 ] - [ -0.0002915700000000, 0.0006250100000000, -0.0017519300000000 ] - [ 0.0018909600000000, 0.0040059500000000, 0.0017443200000000 ] - [ -0.0001952400000000, -0.0003538400000000, -0.0008284300000000 ] - [ 0.0000201200000000, -0.0000317100000000, -0.0046122800000000 ] - [ -0.0002592700000000, 0.0000234600000000, -0.0007901000000000 ] - [ 0.0014943500000000, 0.0001382100000000, 0.0007381600000000 ] - [ 0.0001358800000000, -0.0002220300000000, -0.0009741700000000 ] - [ 0.0011449200000000, -0.0019979100000000, 0.0012775500000000 ] - [ -0.0014928400000000, -0.0020561500000000, -0.0008067900000000 ] - [ -0.0001208500000000, 0.0002051000000000, -0.0005569500000000 ] - [ 0.0002669400000000, 0.0004970300000000, 0.0058607200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012721200000000 ] - [ 0.0002969700000000, -0.0004796900000000, 0.0058607200000000 ] - [ -0.0003136500000000, 0.0005597700000000, -0.0014260300000000 ] - [ -0.0023027100000000, 0.0000074200000000, 0.0012775500000000 ] - [ 0.0006038400000000, -0.0003569000000000, -0.0013215100000000 ] - [ 0.0004040600000000, 0.0000078400000000, -0.0008284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022300300000000 ] - [ -0.0001172000000000, -0.0002072100000000, -0.0005569500000000 ] - [ 0.0002856400000000, -0.0000732100000000, -0.0002002700000000 ] - [ 0.0025271000000000, -0.0002647600000000, -0.0008067900000000 ] - [ -0.0001268300000000, -0.0000617300000000, -0.0008245200000000 ] - [ -0.0002062300000000, -0.0002107700000000, -0.0002002700000000 ] - [ 0.0000071600000000, 0.0007013900000000, -0.0013215100000000 ] - [ 0.0006870600000000, -0.0000600000000000, -0.0017519300000000 ] - [ 0.0002942400000000, 0.0003640600000000, -0.0018868100000000 ] - [ 0.0024844800000000, 0.0003867000000000, -0.0012437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3439636200000000 ] - [ 0.0002327900000000, -0.0000112000000000, 0.0011189800000000 ] - [ -0.0001066900000000, 0.0002072000000000, 0.0011189800000000 ] - [ 0.0000882500000000, -0.0009155700000000, -0.0013325600000000 ] - [ -0.0000375200000000, -0.0000015700000000, -0.0046122800000000 ] - [ 0.0859070000000000, -0.0010767200000000, 0.1171661600000000 ] - [ -0.0045901900000000, 0.0004516900000000, 0.0015443300000000 ] - [ -0.0420210300000000, 0.0749360100000000, 0.1171661600000000 ] - [ -0.0003279500000000, -0.0005515100000000, -0.0014260300000000 ] - [ -0.0002700900000000, -0.0001358600000000, -0.0008483700000000 ] - [ -0.0002088100000000, 0.0003460100000000, -0.0008284300000000 ] - [ -0.0000586200000000, 0.0000804200000000, -0.0018254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003316700000000 ] - [ -0.0008370300000000, 0.0003813600000000, -0.0013325600000000 ] - [ -0.0010342600000000, 0.0023209100000000, -0.0008067900000000 ] - [ 0.0006416000000000, -0.0000082600000000, -0.0014260300000000 ] - [ 0.0000173900000000, 0.0003018400000000, -0.0008483700000000 ] - [ -0.0003954900000000, -0.0005650200000000, -0.0017519300000000 ] - [ -0.0008668700000000, 0.0012250400000000, 0.0007381600000000 ] - [ -0.0006301500000000, -0.0001430600000000, 0.0042025200000000 ] - [ 0.0000375800000000, -0.0000912200000000, -0.0009238100000000 ] - [ 0.0003695700000000, 0.0005537500000000, -0.0008042100000000 ] - [ -0.0002016400000000, -0.0000637600000000, -0.0008273300000000 ] - [ -0.0018843200000000, 0.0000002200000000, 0.0002511800000000 ] - [ -0.0006643500000000, 0.0000431800000000, -0.0008042100000000 ] - [ 0.0009423500000000, 0.0016317600000000, 0.0002511800000000 ] - [ 0.0000456000000000, 0.0002065000000000, -0.0008273300000000 ] - [ 0.0004389700000000, -0.0004741900000000, 0.0042025200000000 ] - [ -0.0006648300000000, 0.0012986000000000, -0.0005199100000000 ] - [ 0.0001911800000000, 0.0006172500000000, 0.0042025200000000 ] - [ 0.0009419700000000, -0.0016319800000000, 0.0002511800000000 ] - [ -0.0007922100000000, -0.0012250500000000, -0.0005199100000000 ] - [ 0.0001560400000000, -0.0001427500000000, -0.0008273300000000 ] - [ 0.0014570300000000, -0.0000735400000000, -0.0005199100000000 ] - [ 0.0000602100000000, 0.0000781600000000, -0.0009238100000000 ] - [ 0.0002947800000000, -0.0005969300000000, -0.0008042100000000 ] - [ -0.0000977900000000, 0.0000130600000000, -0.0009238100000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002007100000000, -0.0000009700000000, -0.0006480500000000 ] - [ -0.0005694900000000, 0.0004724500000000, 0.0001641200000000 ] - [ 0.0000340000000000, -0.0001517900000000, -0.0007540700000000 ] - [ 0.0025044000000000, 0.0040829500000000, -0.0039863200000000 ] - [ -0.0001814000000000, 0.0004273500000000, -0.0010722600000000 ] - [ -0.0000772100000000, -0.0001706900000000, -0.0004212900000000 ] - [ 0.0001864300000000, 0.0000184800000000, -0.0004212900000000 ] - [ -0.0002794000000000, -0.0003707800000000, -0.0010722600000000 ] - [ -0.0001224300000000, 0.0001787500000000, -0.0010571100000000 ] - [ -0.0001092200000000, 0.0001522100000000, -0.0004212900000000 ] - [ -0.0000109900000000, 0.0007591300000000, 0.0002442500000000 ] - [ -0.0000668900000000, -0.0003418000000000, -0.0010166800000000 ] - [ -0.0073448100000000, -0.0125780200000000, -0.0034866800000000 ] - [ -0.0000048300000000, -0.0001617200000000, -0.0007843700000000 ] - [ -0.0004334000000000, -0.0000535500000000, -0.0016864900000000 ] - [ -0.0001244100000000, -0.0007294200000000, 0.0001641200000000 ] - [ 0.0006939000000000, 0.0002569700000000, 0.0001641200000000 ] - [ -0.0047881400000000, 0.0001274000000000, -0.0039863200000000 ] - [ 0.0003418700000000, -0.0003437100000000, 0.0019493800000000 ] - [ -0.0001440400000000, -0.0004637900000000, 0.0008969000000000 ] - [ 0.0003363100000000, 0.0014057600000000, -0.0010390200000000 ] - [ -0.0007375800000000, -0.0033763000000000, 0.0036612200000000 ] - [ -0.0002777000000000, -0.0007191800000000, -0.0013312500000000 ] - [ -0.0001484500000000, 0.0000464500000000, -0.0007540700000000 ] - [ -0.0006759200000000, 0.0036646000000000, 0.0037092900000000 ] - [ 0.0004736700000000, 0.0001071500000000, 0.0008969000000000 ] - [ 0.0004871400000000, -0.0000672800000000, 0.0012080500000000 ] - [ -0.0001531200000000, -0.0000723300000000, -0.0008583900000000 ] - [ 0.0007616800000000, 0.0001190900000000, -0.0013312500000000 ] - [ 0.0000139200000000, 0.0001687700000000, -0.0008583900000000 ] - [ 0.0003464800000000, -0.0014113700000000, -0.0009998600000000 ] - [ 0.0004608000000000, -0.0000565800000000, -0.0010722600000000 ] - [ 0.0001424700000000, 0.0000766800000000, -0.0007843700000000 ] - [ 0.0001392000000000, -0.0000964400000000, -0.0008583900000000 ] - [ 0.0003294500000000, 0.0001129700000000, -0.0010166800000000 ] - [ -0.0006519400000000, -0.0003890800000000, 0.0002442500000000 ] - [ 0.0010490500000000, 0.0010057500000000, -0.0009998600000000 ] - [ 0.0002630800000000, -0.0003485600000000, -0.0016864900000000 ] - [ -0.0013955300000000, 0.0004056300000000, -0.0009998600000000 ] - [ -0.0000935800000000, -0.0001954100000000, -0.0010571100000000 ] - [ 0.0145652900000000, -0.0000717800000000, -0.0034866800000000 ] - [ 0.0006629200000000, -0.0003700500000000, 0.0002442500000000 ] - [ -0.0001853000000000, 0.0004555200000000, 0.0012080500000000 ] - [ -0.0013855800000000, -0.0004116300000000, -0.0010390200000000 ] - [ -0.0025551700000000, 0.0023269200000000, 0.0036612200000000 ] - [ -0.0001011900000000, -0.0001733300000000, -0.0006480500000000 ] - [ -0.0072204800000000, 0.0126498000000000, -0.0034866800000000 ] - [ 0.0001267300000000, 0.0004679200000000, 0.0019493800000000 ] - [ 0.0032927500000000, 0.0010493800000000, 0.0036612200000000 ] - [ -0.0003018400000000, -0.0003882300000000, 0.0012080500000000 ] - [ -0.0001376400000000, 0.0000850400000000, -0.0007843700000000 ] - [ -0.0004839800000000, 0.0006000900000000, -0.0013312500000000 ] - [ 0.0022837400000000, -0.0042103500000000, -0.0039863200000000 ] - [ -0.0002625600000000, 0.0002288300000000, -0.0010166800000000 ] - [ 0.0001144600000000, 0.0001053400000000, -0.0007540700000000 ] - [ -0.0004686000000000, -0.0001242100000000, 0.0019493800000000 ] - [ 0.0010492700000000, -0.0009941300000000, -0.0010390200000000 ] - [ -0.0000995200000000, 0.0001743000000000, -0.0006480500000000 ] - [ 0.0035116000000000, -0.0012469300000000, 0.0037092900000000 ] - [ -0.0028356800000000, -0.0024176700000000, 0.0037092900000000 ] - [ -0.0003296300000000, 0.0003566400000000, 0.0008969000000000 ] - [ 0.0001703200000000, 0.0004021100000000, -0.0016864900000000 ] - [ 0.0002160200000000, 0.0000166600000000, -0.0010571100000000 ] - [ -0.0005041600000000, -0.0000602900000000, -0.0025095200000000 ] - [ -0.0020966800000000, -0.0035488000000000, -0.0019345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013485800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.6747124100000000 ] - [ -0.0077190100000000, 0.0006020200000000, 0.0084444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044157700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001814300000000 ] - [ -0.0002933000000000, 0.0008891500000000, -0.0033428400000000 ] - [ -0.0006233700000000, -0.0006985800000000, -0.0033428400000000 ] - [ 0.0033381400000000, -0.0069858700000000, 0.0084444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104039500000000 ] - [ 0.0009166700000000, -0.0001905700000000, -0.0033428400000000 ] - [ 0.0001998700000000, 0.0004667600000000, -0.0025095200000000 ] - [ 0.0003042900000000, -0.0004064800000000, -0.0025095200000000 ] - [ 0.0043808700000000, 0.0063838500000000, 0.0084444000000000 ] - [ -0.0020250100000000, 0.0035901800000000, -0.0019345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039345600000000 ] - [ 0.0041216900000000, -0.0000413700000000, -0.0019345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005252900000000 ] - [ 0.0000456400000000, 0.0002155600000000, -0.0014159500000000 ] - [ 0.0010524900000000, 0.0015481400000000, -0.0001974000000000 ] - [ 0.0004730600000000, -0.0002157800000000, 0.0012170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038070500000000 ] - [ -0.0001262400000000, -0.0000853000000000, 0.0000153600000000 ] - [ 0.0045676800000000, 0.0006287500000000, -0.0018280100000000 ] - [ -0.0028283500000000, 0.0036413500000000, -0.0018280100000000 ] - [ -0.0016385600000000, 0.0043446500000000, -0.0020326300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025963700000000 ] - [ 0.0001253000000000, 0.0000905400000000, 0.0022807500000000 ] - [ -0.0005084200000000, 0.0002319800000000, 0.0012011400000000 ] - [ 0.0008692900000000, -0.0000021400000000, 0.0013617300000000 ] - [ -0.0015336000000000, 0.0001474600000000, -0.0020944700000000 ] - [ 0.0001819600000000, -0.0003090700000000, 0.0039650400000000 ] - [ -0.0002597900000000, 0.0002866800000000, 0.0016960200000000 ] - [ 0.0001369900000000, -0.0000666800000000, 0.0000153600000000 ] - [ 0.0456026700000000, 0.0766887000000000, -0.1175546500000000 ] - [ 0.0001638600000000, -0.0001473100000000, -0.0014159500000000 ] - [ 0.0001482700000000, 0.0002210400000000, 0.0007306900000000 ] - [ 0.0004551100000000, 0.0003243200000000, 0.0012011400000000 ] - [ -0.0000444900000000, -0.0000694100000000, 0.0002091000000000 ] - [ 0.0004477000000000, -0.0002177600000000, -0.0062222300000000 ] - [ -0.0011674900000000, -0.0016893600000000, -0.0017694600000000 ] - [ -0.0001410600000000, 0.0000632400000000, 0.0022807500000000 ] - [ 0.0011390500000000, 0.0019697300000000, 0.0009021900000000 ] - [ 0.0003781700000000, 0.0000816400000000, 0.0016960200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052173800000000 ] - [ -0.0003316300000000, 0.0007872600000000, 0.0012256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024319900000000 ] - [ 0.0011363100000000, -0.0019713100000000, 0.0009021900000000 ] - [ -0.0002095000000000, -0.0000682500000000, -0.0014159500000000 ] - [ 0.0004002700000000, 0.0003441400000000, 0.0009890000000000 ] - [ -0.0000107500000000, 0.0001519800000000, 0.0000153600000000 ] - [ -0.0002655600000000, 0.0000178800000000, 0.0007306900000000 ] - [ -0.0004948600000000, -0.0000726900000000, 0.0010889000000000 ] - [ -0.0029433000000000, -0.0035913600000000, -0.0020326300000000 ] - [ -0.0004234000000000, -0.0003017900000000, 0.0012170700000000 ] - [ 0.0004217000000000, -0.0006293900000000, 0.0012328900000000 ] - [ -0.0017393200000000, -0.0042701000000000, -0.0018280100000000 ] - [ 0.0001155500000000, 0.0002078200000000, 0.0011481400000000 ] - [ -0.0003586400000000, -0.0000030500000000, 0.0039650400000000 ] - [ -0.0000496600000000, 0.0005175700000000, 0.0012170700000000 ] - [ -0.0018669700000000, 0.0001374100000000, -0.0001974000000000 ] - [ 0.0001173000000000, -0.0002389300000000, 0.0007306900000000 ] - [ -0.0008792800000000, 0.0018557500000000, -0.0017694600000000 ] - [ 0.0011394500000000, 0.0017934800000000, 0.0013501900000000 ] - [ -0.0004328000000000, 0.0007539000000000, 0.0013617300000000 ] - [ -0.0004124400000000, -0.0002788400000000, -0.0062222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023423300000000 ] - [ -0.0000352600000000, 0.0004966100000000, -0.0062222300000000 ] - [ 0.0002358900000000, -0.0004173400000000, 0.0017505400000000 ] - [ 0.0020467700000000, -0.0001664000000000, -0.0017694600000000 ] - [ -0.0004981700000000, 0.0001745800000000, 0.0009890000000000 ] - [ -0.0002377500000000, -0.0000038400000000, 0.0011481400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013693400000000 ] - [ -0.0004365000000000, -0.0007517600000000, 0.0013617300000000 ] - [ -0.0000378700000000, 0.0000732300000000, 0.0002091000000000 ] - [ -0.0021229300000000, 0.0000900600000000, 0.0013501900000000 ] - [ 0.0000533100000000, -0.0005562900000000, 0.0012011400000000 ] - [ 0.0000823500000000, -0.0000038200000000, 0.0002091000000000 ] - [ 0.0000978900000000, -0.0005187100000000, 0.0009890000000000 ] - [ -0.0007559100000000, -0.0000505100000000, 0.0012328900000000 ] - [ -0.0001183800000000, -0.0003683300000000, 0.0016960200000000 ] - [ -0.0022753600000000, 0.0000015800000000, 0.0009021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3171551400000000 ] - [ 0.0006391000000000, -0.0014018700000000, -0.0020944700000000 ] - [ 0.0008945000000000, 0.0012544100000000, -0.0020944700000000 ] - [ 0.0001844800000000, 0.0004649100000000, 0.0010889000000000 ] - [ 0.0001766800000000, 0.0003121200000000, 0.0039650400000000 ] - [ -0.0892157000000000, 0.0011487200000000, -0.1175546500000000 ] - [ 0.0045818600000000, -0.0007532900000000, -0.0020326300000000 ] - [ 0.0436130300000000, -0.0778374200000000, -0.1175546500000000 ] - [ 0.0002434900000000, 0.0004129500000000, 0.0017505400000000 ] - [ 0.0008476000000000, -0.0001064300000000, 0.0012256400000000 ] - [ 0.0001222000000000, -0.0002039800000000, 0.0011481400000000 ] - [ 0.0000157600000000, -0.0001537800000000, 0.0022807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004019600000000 ] - [ 0.0003103800000000, -0.0003922200000000, 0.0010889000000000 ] - [ 0.0009834700000000, -0.0018835400000000, 0.0013501900000000 ] - [ -0.0004793700000000, 0.0000043900000000, 0.0017505400000000 ] - [ -0.0005159700000000, -0.0006808300000000, 0.0012256400000000 ] - [ 0.0003342200000000, 0.0006798900000000, 0.0012328900000000 ] - [ 0.0008144900000000, -0.0016855500000000, -0.0001974000000000 ] - [ 0.0006521900000000, 0.0000620100000000, -0.0042477200000000 ] - [ -0.0001583300000000, -0.0001144300000000, 0.0011362500000000 ] - [ -0.0003661300000000, -0.0005594200000000, 0.0009655200000000 ] - [ -0.0002574000000000, 0.0000632800000000, 0.0011683900000000 ] - [ 0.0019147700000000, -0.0000481200000000, -0.0002517100000000 ] - [ 0.0006675400000000, -0.0000373600000000, 0.0009655200000000 ] - [ -0.0009990600000000, -0.0016341800000000, -0.0002517100000000 ] - [ 0.0001835000000000, 0.0001912800000000, 0.0011683900000000 ] - [ -0.0003798000000000, 0.0005338100000000, -0.0042477200000000 ] - [ 0.0006754100000000, -0.0012792400000000, -0.0001804700000000 ] - [ -0.0002723900000000, -0.0005958200000000, -0.0042477200000000 ] - [ -0.0009157100000000, 0.0016823000000000, -0.0002517100000000 ] - [ 0.0007701500000000, 0.0012245400000000, -0.0001804700000000 ] - [ 0.0000739000000000, -0.0002545600000000, 0.0011683900000000 ] - [ -0.0014455500000000, 0.0000547000000000, -0.0001804700000000 ] - [ 0.0001782700000000, -0.0000799000000000, 0.0011362500000000 ] - [ -0.0003014100000000, 0.0005967900000000, 0.0009655200000000 ] - [ -0.0000199400000000, 0.0001943400000000, 0.0011362500000000 ]- atom: 68 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000575400000000, 0.0002245500000000, 0.0002107500000000 ] - [ -0.0000671400000000, 0.0002152600000000, -0.0004014900000000 ] - [ -0.0000381600000000, 0.0000918600000000, 0.0001305700000000 ] - [ -0.0000558400000000, -0.0003469900000000, 0.0007319100000000 ] - [ -0.0001756400000000, 0.0004217900000000, -0.0000515400000000 ] - [ -0.0003436100000000, -0.0011747500000000, -0.0004013500000000 ] - [ 0.0012384600000000, -0.0000611600000000, 0.0131752000000000 ] - [ -0.0008774900000000, -0.0001762000000000, 0.0002577400000000 ] - [ 0.0000964700000000, 0.0000206800000000, 0.0001648700000000 ] - [ -0.0002261000000000, 0.0011125500000000, -0.0003740500000000 ] - [ 0.0001098200000000, -0.0001740800000000, 0.0000626400000000 ] - [ -0.0001644100000000, -0.0004344300000000, -0.0000898100000000 ] - [ 0.0079404600000000, -0.0060772300000000, -0.0009103900000000 ] - [ -0.0000107600000000, -0.0001564300000000, 0.0002164700000000 ] - [ -0.0002270000000000, -0.0000532400000000, -0.0009089500000000 ] - [ 0.0000717600000000, 0.0002177900000000, 0.0001498000000000 ] - [ -0.0002215200000000, -0.0000609200000000, 0.0002068900000000 ] - [ 0.0007534500000000, 0.0000768600000000, 0.0002002800000000 ] - [ -0.0002899300000000, 0.0009949200000000, 0.0005957000000000 ] - [ 0.0006996000000000, -0.0017354200000000, -0.0002898600000000 ] - [ 0.0012277700000000, 0.0010466700000000, -0.0004596900000000 ] - [ 0.0009978200000000, 0.0010329300000000, 0.0006670800000000 ] - [ 0.0001237100000000, -0.0001620800000000, 0.0002400400000000 ] - [ 0.0001019300000000, 0.0000504100000000, 0.0001350300000000 ] - [ 0.0009341300000000, -0.0010246600000000, 0.0009354200000000 ] - [ 0.0111673400000000, -0.0099604700000000, 0.0002372100000000 ] - [ 0.0109053600000000, 0.0098593600000000, -0.0006338300000000 ] - [ 0.0000848900000000, 0.0000710200000000, 0.0003474400000000 ] - [ 0.0000848700000000, 0.0001279400000000, 0.0002439200000000 ] - [ -0.0001217900000000, 0.0000937700000000, 0.0001613300000000 ] - [ 0.0012824200000000, -0.0011294800000000, -0.0005184400000000 ] - [ 0.0005044300000000, 0.0003574500000000, 0.0000728700000000 ] - [ -0.0001172800000000, 0.0000417000000000, 0.0004028400000000 ] - [ 0.0001528500000000, 0.0000173800000000, 0.0001774100000000 ] - [ 0.0004925500000000, -0.0003068800000000, 0.0001622700000000 ] - [ -0.0001215600000000, -0.0001529300000000, -0.0005206100000000 ] - [ 0.0020454500000000, -0.0005779600000000, 0.0010534500000000 ] - [ 0.0005346700000000, -0.0000288100000000, -0.0004485500000000 ] - [ -0.0010522300000000, 0.0021897900000000, -0.0060032800000000 ] - [ -0.0001987400000000, -0.0001293800000000, -0.0000322600000000 ] - [ 0.0044016800000000, 0.0000211900000000, -0.0002636200000000 ] - [ -0.0001950300000000, -0.0000366800000000, 0.0001383600000000 ] - [ 0.0007614300000000, 0.0018311300000000, -0.0002490600000000 ] - [ -0.0024424700000000, -0.0018415000000000, -0.0064519300000000 ] - [ 0.0018891300000000, 0.0006433300000000, -0.0011307700000000 ] - [ 0.0002145000000000, -0.0001711700000000, 0.0002027400000000 ] - [ 0.0081165700000000, 0.0060439900000000, -0.0008772100000000 ] - [ -0.0003150800000000, -0.0009281800000000, 0.0005518400000000 ] - [ -0.0013768100000000, -0.0015766800000000, 0.0057399400000000 ] - [ -0.0037500600000000, -0.0044759500000000, 0.0003847200000000 ] - [ -0.0001093000000000, 0.0001077300000000, 0.0002107400000000 ] - [ -0.0000984600000000, 0.0000299900000000, 0.0002403700000000 ] - [ -0.0002058600000000, 0.0002617100000000, 0.0007152200000000 ] - [ -0.0009149000000000, 0.0000874400000000, 0.0001919800000000 ] - [ -0.0001151800000000, -0.0000695700000000, 0.0001394500000000 ] - [ 0.0013575600000000, 0.0000542300000000, -0.0116951300000000 ] - [ 0.0019600600000000, 0.0007280800000000, 0.0008692500000000 ] - [ -0.0002171400000000, -0.0001313400000000, 0.0001994500000000 ] - [ -0.0012711600000000, 0.0013481400000000, 0.0056050800000000 ] - [ 0.0018073200000000, -0.0006598600000000, -0.0009484300000000 ] - [ -0.0037935000000000, 0.0042909800000000, 0.0000669600000000 ] - [ 0.0004562700000000, 0.0000890000000000, -0.0004347200000000 ] - [ 0.0002207800000000, -0.0000673800000000, -0.0000094400000000 ] - [ 0.0001229300000000, -0.0000476400000000, 0.0000786600000000 ] - [ 0.0007167700000000, -0.0001975000000000, 0.0000942400000000 ] - [ -0.0077656100000000, -0.0093533200000000, 0.0021497600000000 ] - [ 0.0051663100000000, 0.0000991600000000, 0.0073121200000000 ] - [ -0.7431934700000000, 0.0011582400000000, -0.0061068300000000 ] - [ -0.0034193600000000, -0.0050580300000000, -0.0047266100000000 ] - [ -0.0000980900000000, 0.0001603500000000, 0.0008358600000000 ] - [ 0.0000061900000000, 0.0047375300000000, 0.0024930500000000 ] - [ 0.0000356400000000, 0.0013078300000000, -0.0009631700000000 ] - [ -0.0003070800000000, -0.0011016600000000, -0.0009658200000000 ] - [ 0.0033338500000000, 0.0036842900000000, 0.0000379400000000 ] - [ 0.0080085300000000, 0.0000999000000000, -0.0040498600000000 ] - [ 0.0019183400000000, -0.0002005600000000, 0.0013090300000000 ] - [ -0.0001016800000000, -0.0001043100000000, 0.0004131100000000 ] - [ -0.0000185800000000, 0.0001518600000000, 0.0004131100000000 ] - [ 0.0039106900000000, -0.0040173000000000, -0.0002644500000000 ] - [ 0.0007965300000000, 0.0002714100000000, 0.0001178600000000 ] - [ 0.0002879200000000, -0.0000013500000000, -0.0005412700000000 ] - [ -0.0001345800000000, -0.0001900500000000, -0.0001722200000000 ] - [ -0.0059701800000000, 0.0076728700000000, -0.0016970500000000 ] - [ -0.0015435700000000, 0.0000087700000000, 0.0002776900000000 ] - [ -0.0000880200000000, -0.0000032100000000, -0.0003477500000000 ] - [ 0.0000519900000000, 0.0000674200000000, 0.0000015700000000 ] - [ 0.0000274100000000, -0.0000364900000000, 0.0002589400000000 ] - [ 0.0014496600000000, -0.0059999600000000, 0.0039931800000000 ] - [ 0.0000684900000000, 0.0001441700000000, 0.0003196200000000 ] - [ 0.0003036100000000, 0.0000423100000000, 0.0001970900000000 ] - [ -0.0000551600000000, -0.0000012900000000, 0.0006023600000000 ] - [ 0.0014042300000000, 0.0075713300000000, -0.0046068500000000 ] - [ 0.1456385800000000, 0.1018315700000000, -0.0478865000000000 ] - [ -0.0026342600000000, -0.0000002700000000, -0.0004648900000000 ] - [ -0.0026741200000000, -0.0026060400000000, 0.0001272600000000 ] - [ 0.0011966700000000, -0.0013580200000000, 0.0007870400000000 ] - [ 0.0000542000000000, 0.0001956200000000, 0.0006201400000000 ] - [ -0.0002089300000000, 0.0002203400000000, 0.0001721800000000 ] - [ 0.0005269300000000, -0.0000691800000000, 0.0003156200000000 ] - [ 0.0019144900000000, 0.0003428200000000, 0.0001532400000000 ] - [ -0.0035984300000000, 0.0006021000000000, 0.0022996100000000 ] - [ -0.0000187200000000, -0.0001386500000000, -0.0002139200000000 ] - [ 0.0043073700000000, 0.0003867300000000, 0.0011358600000000 ] - [ -0.0007768700000000, 0.0007881100000000, -0.0025336000000000 ] - [ 0.0032342700000000, -0.0007029600000000, -0.0007354600000000 ] - [ 0.0003152700000000, 0.0007208900000000, -0.0000613500000000 ] - [ 0.0002690700000000, 0.0000747500000000, 0.0001724600000000 ] - [ 0.0008848600000000, -0.0022871300000000, -0.0009606000000000 ] - [ 0.0885826500000000, -0.0000328600000000, 0.0054727500000000 ] - [ -0.0003490900000000, 0.0017670800000000, -0.0002570600000000 ] - [ -0.0003389700000000, 0.0000187000000000, -0.0006101100000000 ] - [ -0.0003687100000000, 0.0000409900000000, 0.0000187700000000 ] - [ -0.0001064200000000, 0.0000748600000000, 0.0001322300000000 ] - [ -0.0012969200000000, -0.0000291600000000, 0.0023520400000000 ] - [ 0.0000059400000000, 0.0002217900000000, 0.0001499800000000 ] - [ 0.0013705700000000, 0.0035464700000000, 0.0031980700000000 ] - [ -0.0006693600000000, 0.0001465400000000, -0.0003694100000000 ] - [ 0.0003709800000000, -0.0024902500000000, -0.0000722900000000 ] - [ -0.0000745100000000, 0.0003826300000000, 0.0001604900000000 ] - [ 0.0006745200000000, 0.0028198200000000, -0.0001501700000000 ] - [ -0.0011209800000000, -0.0000151600000000, -0.0015653800000000 ] - [ -0.0005111900000000, 0.0000658000000000, -0.0005725600000000 ] - [ -0.0027076400000000, 0.0000975000000000, -0.0005263500000000 ] - [ -0.0001179700000000, -0.0002985100000000, 0.0001998700000000 ] - [ -0.0000715900000000, -0.0000637100000000, -0.0002566700000000 ] - [ -0.0028145600000000, 0.0026069500000000, 0.0004390600000000 ] - [ 0.0000251700000000, 0.0000497800000000, 0.0001458600000000 ] - [ -0.0046322200000000, 0.0000476700000000, -0.0007446800000000 ] - [ -0.0002394400000000, 0.0003226800000000, 0.0002544200000000 ] - [ 0.0008937800000000, 0.0001393700000000, 0.0005817900000000 ] - [ 0.0002929500000000, -0.0007244400000000, -0.0000623200000000 ] - [ -0.0001857600000000, -0.0016868300000000, -0.0003039600000000 ] - [ -0.0006283500000000, -0.0002765800000000, 0.0000651900000000 ] - [ -0.0001954100000000, 0.0003347900000000, 0.0002974800000000 ] - [ -0.0010178200000000, 0.0008046300000000, -0.0001712900000000 ] - [ 0.0000241600000000, 0.0000360500000000, 0.0004957400000000 ] - [ -0.0007631900000000, -0.0006103400000000, -0.0001508800000000 ] - [ -0.0001960900000000, 0.0001120400000000, 0.0002546800000000 ] - [ 0.3499612100000000, 0.0034225600000000, 0.0882986100000000 ] - [ -0.0005917500000000, 0.0000693500000000, -0.0005857000000000 ] - [ 0.0001381200000000, 0.0001030000000000, 0.0000625900000000 ] - [ 0.0014998900000000, 0.0016816000000000, -0.0012775500000000 ] - [ 0.0000647200000000, -0.0001292200000000, -0.0007645000000000 ] - [ -0.0001881000000000, -0.0004946600000000, 0.0003165200000000 ] - [ -0.0003515700000000, -0.0010515400000000, -0.0006294300000000 ] - [ 0.0007998700000000, -0.0003767900000000, -0.0000002400000000 ] - [ -0.0001205800000000, -0.0003619900000000, 0.0002282000000000 ] - [ 0.0013885500000000, -0.0033985500000000, -0.0013755900000000 ] - [ 0.0001194500000000, -0.0004726900000000, 0.0005043200000000 ] - [ 0.0002759400000000, -0.0000681800000000, -0.0003138800000000 ] - [ 0.0001146600000000, 0.0000577800000000, -0.0002156100000000 ] - [ 0.0006800100000000, 0.0004310600000000, -0.0003854500000000 ] - [ -0.0044209000000000, 0.0000027200000000, -0.0036217500000000 ] - [ 0.0000178300000000, 0.0015125800000000, 0.0005256700000000 ] - [ 0.0013535100000000, 0.0038365600000000, 0.0011385100000000 ] - [ 0.0002715200000000, 0.0003743400000000, 0.0005714300000000 ] - [ -0.0038711700000000, -0.0006471900000000, 0.0024993000000000 ] - [ -0.0049729000000000, 0.0000316300000000, -0.0023496100000000 ] - [ 0.1460770900000000, -0.1058631400000000, -0.0407455800000000 ] - [ -0.0007001200000000, -0.0009052100000000, -0.0025012900000000 ] - [ -0.0002017000000000, -0.0001074000000000, 0.0002534100000000 ] - [ 0.0003098900000000, -0.0001174500000000, 0.0002053800000000 ] - [ 0.0000520700000000, 0.0001574000000000, 0.0000707000000000 ] - [ -0.0000227000000000, -0.0002433200000000, 0.0006250900000000 ] - [ 0.0011122700000000, -0.0031560500000000, -0.0017774300000000 ] - [ -0.0002619400000000, -0.0004070800000000, 0.0002242400000000 ] - [ -0.0004963600000000, -0.0000011600000000, 0.0004468700000000 ] - [ -0.0000315900000000, 0.0000000000000000, 0.0003579700000000 ] - [ -0.0002052000000000, -0.0001040600000000, 0.0001485400000000 ] - [ -0.0001707600000000, 0.0001210000000000, -0.0002524500000000 ] - [ -0.0001563200000000, -0.0002859100000000, 0.0003094400000000 ] - [ -0.0081110400000000, -0.0000790400000000, 0.0035363400000000 ] - [ 0.0000381300000000, -0.0000986000000000, 0.0000970900000000 ] - [ -0.0006213700000000, 0.0000112100000000, 0.0000164300000000 ] - [ -0.0003778800000000, -0.0000577700000000, 0.0001645000000000 ] - [ -0.0007107600000000, -0.0000448200000000, 0.0014949200000000 ] - [ 0.0044604300000000, 0.0001758300000000, 0.0007963900000000 ] - [ 0.0001117500000000, 0.0005415600000000, -0.0006834800000000 ] - [ 0.0004719900000000, 0.0002160600000000, 0.0002183100000000 ] - [ -0.0016223700000000, -0.0040309000000000, -0.0020946100000000 ] - [ -0.0012071500000000, -0.0028517800000000, 0.0009934800000000 ] - [ -0.0015898400000000, 0.0037625900000000, -0.0017237200000000 ] - [ 0.0001465500000000, -0.0004835800000000, -0.0006905200000000 ] - [ -0.0013850400000000, 0.0033702200000000, 0.0014269400000000 ] - [ -0.0000237000000000, -0.0001580300000000, 0.0001570100000000 ] - [ -0.0071879300000000, -0.0001935500000000, -0.0038886500000000 ] - [ 0.0000706400000000, 0.0000005000000000, 0.0000950600000000 ] - [ -0.0005715900000000, 0.0000112900000000, 0.0001124200000000 ] - [ -0.0001061400000000, 0.0001052700000000, 0.0000948000000000 ]- atom: 68 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001085300000000, 0.0001963500000000, 0.0002236600000000 ] - [ -0.0000459100000000, 0.0000091900000000, 0.0007303800000000 ] - [ -0.0000149400000000, 0.0000140900000000, 0.0001517000000000 ] - [ 0.0000763400000000, 0.0000738700000000, -0.0004932600000000 ] - [ -0.0000751400000000, 0.0000246600000000, -0.0003964400000000 ] - [ 0.0001214500000000, 0.0007869400000000, 0.0003948000000000 ] - [ -0.0007794900000000, 0.0000649400000000, -0.0131230500000000 ] - [ 0.0006153300000000, -0.0002780000000000, -0.0007066200000000 ] - [ -0.0002221800000000, 0.0002193900000000, -0.0000431500000000 ] - [ -0.0000066500000000, -0.0007183600000000, 0.0003635200000000 ] - [ -0.0000954100000000, 0.0004647000000000, 0.0001735700000000 ] - [ 0.0000252200000000, -0.0000013700000000, -0.0001647900000000 ] - [ -0.0081996000000000, 0.0057543200000000, 0.0003341100000000 ] - [ 0.0000423200000000, -0.0000005000000000, 0.0002837100000000 ] - [ 0.0006660100000000, -0.0000541400000000, 0.0006476700000000 ] - [ -0.0001882400000000, -0.0004194400000000, 0.0001840000000000 ] - [ 0.0004706100000000, 0.0000748700000000, 0.0001248000000000 ] - [ -0.0005118600000000, 0.0000805400000000, 0.0000292800000000 ] - [ 0.0002603100000000, -0.0006947500000000, -0.0004869800000000 ] - [ -0.0008929500000000, 0.0021651700000000, -0.0002905200000000 ] - [ -0.0007725700000000, -0.0010619700000000, 0.0004520400000000 ] - [ -0.0007239700000000, -0.0009179600000000, -0.0005611100000000 ] - [ -0.0000712400000000, -0.0002735500000000, 0.0001909800000000 ] - [ 0.0000158200000000, -0.0000430000000000, 0.0001482400000000 ] - [ -0.0006547800000000, 0.0010400600000000, -0.0003457500000000 ] - [ -0.0113364500000000, 0.0095169200000000, -0.0007868300000000 ] - [ -0.0109353100000000, -0.0095880500000000, 0.0003305400000000 ] - [ -0.0002369800000000, -0.0001216900000000, 0.0001525500000000 ] - [ 0.0002547000000000, 0.0001270500000000, 0.0001902300000000 ] - [ 0.0001403600000000, 0.0000639300000000, 0.0003342400000000 ] - [ -0.0005326700000000, 0.0011257500000000, 0.0005626500000000 ] - [ 0.0000088500000000, -0.0003499200000000, -0.0005214700000000 ] - [ 0.0002442300000000, 0.0000526100000000, 0.0000925500000000 ] - [ -0.0000226800000000, -0.0001265800000000, 0.0003183000000000 ] - [ -0.0000566400000000, 0.0004102300000000, -0.0004246400000000 ] - [ -0.0001279300000000, 0.0000295300000000, 0.0007596800000000 ] - [ -0.0024364300000000, 0.0012172500000000, -0.0010089100000000 ] - [ -0.0006650400000000, 0.0004627800000000, 0.0001899300000000 ] - [ 0.0007068800000000, -0.0028524500000000, 0.0060547900000000 ] - [ 0.0000702800000000, -0.0000939000000000, 0.0001592600000000 ] - [ -0.0039414600000000, 0.0000250000000000, -0.0003106900000000 ] - [ 0.0004285600000000, -0.0001452800000000, 0.0001005800000000 ] - [ -0.0008701500000000, -0.0020227800000000, -0.0000844600000000 ] - [ 0.0022546500000000, 0.0022409300000000, 0.0064563700000000 ] - [ -0.0019238500000000, -0.0009418100000000, 0.0012237800000000 ] - [ 0.0001276500000000, -0.0000790400000000, 0.0002287900000000 ] - [ -0.0084677900000000, -0.0057628000000000, 0.0003026300000000 ] - [ 0.0000679000000000, 0.0007439400000000, -0.0004525800000000 ] - [ 0.0011678400000000, 0.0017745300000000, -0.0056383000000000 ] - [ 0.0039934000000000, 0.0044900700000000, -0.0007100300000000 ] - [ -0.0000499400000000, -0.0000491700000000, 0.0002840400000000 ] - [ -0.0002894500000000, 0.0001414400000000, 0.0001912200000000 ] - [ -0.0000660100000000, -0.0001534800000000, -0.0004818400000000 ] - [ 0.0006048100000000, 0.0002341100000000, -0.0004592600000000 ] - [ 0.0000489300000000, -0.0000450000000000, 0.0001381500000000 ] - [ -0.0010469800000000, -0.0001677000000000, 0.0117065600000000 ] - [ -0.0021875100000000, -0.0011087700000000, -0.0008725900000000 ] - [ -0.0001858200000000, -0.0000397000000000, 0.0002319600000000 ] - [ 0.0011550800000000, -0.0016152200000000, -0.0050233200000000 ] - [ -0.0019425900000000, 0.0008965600000000, 0.0015343100000000 ] - [ 0.0042664500000000, -0.0043630400000000, -0.0006449100000000 ] - [ -0.0007674300000000, -0.0004319900000000, 0.0001847100000000 ] - [ 0.0000503800000000, 0.0000796100000000, 0.0001316600000000 ] - [ -0.0000734700000000, -0.0000427000000000, 0.0005056200000000 ] - [ -0.0007870300000000, 0.0003044800000000, 0.0001371900000000 ] - [ 0.0077372900000000, 0.0093555800000000, -0.0020006300000000 ] - [ -0.0051684900000000, -0.0000991800000000, -0.0083989200000000 ] - [ 0.7217898300000000, -0.0011708100000000, -0.0080118600000000 ] - [ 0.0033875000000000, 0.0050534100000000, 0.0037438800000000 ] - [ 0.0000981300000000, -0.0001600900000000, 0.0000616900000000 ] - [ -0.0000248400000000, -0.0047684700000000, -0.0031712600000000 ] - [ 0.0002088700000000, -0.0008962200000000, 0.0004900000000000 ] - [ -0.0001529200000000, 0.0011001000000000, 0.0004857200000000 ] - [ -0.0039112000000000, -0.0036624700000000, -0.0001319700000000 ] - [ -0.0080442700000000, -0.0000963500000000, 0.0042461200000000 ] - [ -0.0016991200000000, -0.0002026000000000, -0.0017898200000000 ] - [ -0.0000018400000000, 0.0001036700000000, 0.0001724300000000 ] - [ 0.0000754200000000, -0.0000552300000000, 0.0001780300000000 ] - [ -0.0036371400000000, 0.0035044700000000, 0.0001690800000000 ] - [ -0.0006655800000000, -0.0002671900000000, 0.0001130000000000 ] - [ -0.0002709100000000, -0.0000079900000000, -0.0000560500000000 ] - [ 0.0001185000000000, 0.0002001500000000, -0.0004276800000000 ] - [ 0.0059240300000000, -0.0076513100000000, 0.0024038900000000 ] - [ 0.0014727800000000, -0.0001256600000000, -0.0000336400000000 ] - [ 0.0000855900000000, -0.0000007300000000, 0.0001113200000000 ] - [ -0.0000540200000000, -0.0000706800000000, -0.0002410000000000 ] - [ -0.0000250900000000, 0.0000404800000000, 0.0000695200000000 ] - [ -0.0013187300000000, 0.0057750000000000, -0.0037274400000000 ] - [ 0.0003580200000000, 0.0000338600000000, 0.0002312800000000 ] - [ 0.0003211600000000, -0.0000471200000000, 0.0002272500000000 ] - [ 0.0000538300000000, 0.0000003000000000, 0.0004648600000000 ] - [ -0.0011889100000000, -0.0072896800000000, 0.0039533300000000 ] - [ -0.1463969000000000, -0.1057483200000000, 0.0498021600000000 ] - [ 0.0023350900000000, -0.0000013000000000, 0.0003702300000000 ] - [ 0.0029422600000000, 0.0027463500000000, -0.0006288500000000 ] - [ -0.0011907900000000, 0.0013517200000000, -0.0016037800000000 ] - [ 0.0000280900000000, -0.0001996900000000, -0.0001683700000000 ] - [ -0.0002920800000000, 0.0001683700000000, 0.0002022400000000 ] - [ 0.0005814400000000, 0.0000741500000000, 0.0004880300000000 ] - [ -0.0035672100000000, -0.0004016900000000, -0.0011255600000000 ] - [ 0.0038169500000000, -0.0008827900000000, -0.0029766600000000 ] - [ -0.0000746000000000, -0.0000218700000000, 0.0000251600000000 ] - [ -0.0046340200000000, -0.0003691600000000, -0.0017711000000000 ] - [ 0.0016429300000000, 0.0006111800000000, 0.0015857200000000 ] - [ -0.0034445600000000, 0.0007150300000000, 0.0009736700000000 ] - [ -0.0000456500000000, -0.0002760200000000, -0.0001839300000000 ] - [ 0.0002920400000000, 0.0001659200000000, 0.0002022800000000 ] - [ -0.0010102500000000, 0.0025128800000000, 0.0009681500000000 ] - [ -0.0885570500000000, -0.0001470600000000, -0.0042035800000000 ] - [ 0.0003517900000000, -0.0014451800000000, -0.0002469400000000 ] - [ 0.0002958300000000, 0.0000514400000000, 0.0010619300000000 ] - [ 0.0005959300000000, -0.0004228000000000, -0.0003495000000000 ] - [ 0.0000129000000000, 0.0000734400000000, -0.0003188800000000 ] - [ 0.0013019600000000, 0.0000320300000000, -0.0024021200000000 ] - [ -0.0000789000000000, 0.0003849700000000, 0.0002250200000000 ] - [ -0.0013580100000000, -0.0035498900000000, -0.0015744000000000 ] - [ 0.0002230100000000, -0.0001451500000000, 0.0000381100000000 ] - [ -0.0002489600000000, 0.0026868600000000, 0.0003241500000000 ] - [ -0.0001399400000000, -0.0003928700000000, -0.0004960700000000 ] - [ -0.0005286200000000, -0.0031350700000000, -0.0005015400000000 ] - [ 0.0006076200000000, 0.0000225600000000, 0.0013240500000000 ] - [ 0.0007651500000000, 0.0003913600000000, 0.0003252700000000 ] - [ 0.0024530300000000, 0.0000763800000000, 0.0000236900000000 ] - [ -0.0001968500000000, -0.0002459900000000, 0.0002265200000000 ] - [ 0.0002020100000000, 0.0000685600000000, -0.0002579000000000 ] - [ 0.0029732900000000, -0.0028553900000000, -0.0005344900000000 ] - [ -0.0001030100000000, -0.0001959900000000, 0.0001734500000000 ] - [ 0.0043087400000000, -0.0000825900000000, 0.0000907400000000 ] - [ -0.0000768200000000, 0.0002164600000000, 0.0001704000000000 ] - [ -0.0012593400000000, 0.0001382900000000, -0.0000312000000000 ] - [ -0.0000381600000000, 0.0002465000000000, -0.0001844700000000 ] - [ 0.0004633400000000, 0.0015302000000000, -0.0002026200000000 ] - [ 0.0002792500000000, 0.0000068100000000, 0.0004862300000000 ] - [ -0.0003546000000000, 0.0006277400000000, 0.0005062000000000 ] - [ 0.0008897300000000, -0.0005587600000000, -0.0001999400000000 ] - [ -0.0000244300000000, -0.0000375300000000, 0.0005727400000000 ] - [ 0.0010379400000000, 0.0006115000000000, -0.0002216700000000 ] - [ 0.0001095200000000, 0.0000422200000000, 0.0000592000000000 ] - [ -0.3271102900000000, -0.0032473200000000, -0.0802209000000000 ] - [ 0.0006948300000000, -0.0002581700000000, 0.0002500300000000 ] - [ 0.0000392700000000, -0.0001007100000000, 0.0002526200000000 ] - [ -0.0014936100000000, -0.0016793400000000, 0.0012570900000000 ] - [ -0.0000626300000000, 0.0001330800000000, -0.0001065300000000 ] - [ -0.0003633600000000, -0.0004604300000000, 0.0004870600000000 ] - [ 0.0006110800000000, 0.0010545000000000, 0.0006377900000000 ] - [ -0.0003770200000000, 0.0001960000000000, 0.0005484400000000 ] - [ 0.0000473500000000, -0.0002571000000000, 0.0001466700000000 ] - [ -0.0014955100000000, 0.0032060100000000, 0.0013943900000000 ] - [ -0.0000229200000000, 0.0006461300000000, -0.0008362100000000 ] - [ -0.0003350900000000, -0.0000356500000000, -0.0002047700000000 ] - [ 0.0000603200000000, -0.0000651900000000, 0.0000271700000000 ] - [ -0.0004578300000000, -0.0000421600000000, 0.0000465300000000 ] - [ 0.0044583400000000, -0.0000079300000000, 0.0053074300000000 ] - [ 0.0008552300000000, -0.0029327400000000, -0.0014971800000000 ] - [ -0.0005566200000000, -0.0023636600000000, -0.0021072600000000 ] - [ -0.0000083800000000, -0.0008217000000000, -0.0008153800000000 ] - [ 0.0040285500000000, 0.0009585400000000, -0.0031766100000000 ] - [ 0.0033240000000000, 0.0000100800000000, 0.0014055900000000 ] - [ -0.1469662700000000, 0.1098778200000000, 0.0419417200000000 ] - [ 0.0014825200000000, -0.0005522000000000, 0.0015540500000000 ] - [ 0.0001144500000000, -0.0000322800000000, 0.0000644800000000 ] - [ 0.0002780500000000, -0.0001217500000000, 0.0001696600000000 ] - [ -0.0001342900000000, -0.0000244200000000, 0.0002509100000000 ] - [ -0.0000235500000000, 0.0001651400000000, -0.0001722500000000 ] - [ -0.0010999400000000, 0.0031632800000000, 0.0016924400000000 ] - [ -0.0002843000000000, 0.0003920100000000, -0.0004740000000000 ] - [ 0.0004349200000000, 0.0004525800000000, 0.0001074600000000 ] - [ 0.0001869400000000, -0.0000045500000000, -0.0000377800000000 ] - [ -0.0002940600000000, -0.0002693800000000, 0.0002262400000000 ] - [ 0.0001110700000000, -0.0000040200000000, -0.0002617900000000 ] - [ 0.0000963500000000, -0.0001561000000000, 0.0002397700000000 ] - [ 0.0081208800000000, -0.0000057600000000, -0.0035719800000000 ] - [ -0.0001531600000000, -0.0001003500000000, 0.0000942300000000 ] - [ 0.0006207600000000, -0.0000264500000000, 0.0001402900000000 ] - [ -0.0000819900000000, 0.0000627300000000, 0.0001700100000000 ] - [ 0.0007386700000000, -0.0000005600000000, -0.0014393200000000 ] - [ -0.0044738800000000, -0.0001779200000000, -0.0006114200000000 ] - [ -0.0001677200000000, -0.0005434200000000, 0.0007321400000000 ] - [ -0.0002381400000000, 0.0001901000000000, 0.0001183300000000 ] - [ 0.0016474200000000, 0.0041131500000000, 0.0020433500000000 ] - [ 0.0012080800000000, 0.0028822400000000, -0.0017038900000000 ] - [ 0.0014812600000000, -0.0037772600000000, 0.0016778400000000 ] - [ -0.0001250300000000, 0.0005277000000000, 0.0007373100000000 ] - [ 0.0013480300000000, -0.0033598600000000, -0.0021382100000000 ] - [ 0.0002589500000000, -0.0002369600000000, 0.0001771200000000 ] - [ 0.0072187300000000, 0.0001838300000000, 0.0031673700000000 ] - [ 0.0001658700000000, 0.0000016100000000, 0.0000941900000000 ] - [ 0.0005582600000000, -0.0000271600000000, 0.0000444000000000 ] - [ -0.0000099000000000, 0.0001012100000000, 0.0000951600000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002416900000000, 0.0006770100000000, 0.0017179000000000 ] - [ -0.0011681900000000, -0.0005875700000000, 0.0011189900000000 ] - [ -0.0000036800000000, 0.0000063800000000, 0.0010439600000000 ] - [ 0.0011900000000000, -0.0008721800000000, 0.0011141600000000 ] - [ -0.0001453600000000, 0.0003070800000000, 0.0005936800000000 ] - [ -0.0000350700000000, 0.0003243500000000, -0.0001786300000000 ] - [ 0.0064490900000000, 0.0002345300000000, 0.0059717400000000 ] - [ 0.0002853100000000, 0.0004941600000000, 0.0015399000000000 ] - [ -0.0000174900000000, 0.0000408500000000, 0.0010917400000000 ] - [ -0.0000219700000000, -0.0003870900000000, -0.0001522500000000 ] - [ 0.0000352200000000, 0.0000902000000000, 0.0004850100000000 ] - [ -0.0001321900000000, -0.0004400600000000, 0.0007148600000000 ] - [ -0.0035195800000000, 0.0008649400000000, -0.0037081600000000 ] - [ 0.0000381900000000, 0.0000101500000000, 0.0012746200000000 ] - [ -0.0005248400000000, 0.0000157200000000, 0.0017264600000000 ] - [ -0.0000490100000000, -0.0000848900000000, 0.0006317700000000 ] - [ 0.0000752400000000, -0.0013054700000000, 0.0011189900000000 ] - [ 0.0000605100000000, 0.0000756000000000, 0.0004850100000000 ] - [ 0.0000307300000000, 0.0008545200000000, -0.0012242100000000 ] - [ -0.0004180800000000, 0.0007418500000000, -0.0021535200000000 ] - [ -0.0003242400000000, -0.0002125700000000, -0.0001522500000000 ] - [ 0.0007246700000000, 0.0004538800000000, -0.0012242100000000 ] - [ 0.0000387600000000, -0.0002134600000000, 0.0011325900000000 ] - [ 0.0000073600000000, 0.0000000000000000, 0.0010439600000000 ] - [ 0.0006992800000000, -0.0004009100000000, -0.0009606300000000 ] - [ 0.0025088600000000, -0.0026155800000000, -0.0037081600000000 ] - [ 0.0024403900000000, 0.0022431300000000, -0.0038340200000000 ] - [ -0.0000103100000000, 0.0000381500000000, 0.0012746200000000 ] - [ 0.0007071500000000, 0.0001291900000000, 0.0017179000000000 ] - [ -0.0000057700000000, 0.0000488500000000, 0.0015261900000000 ] - [ -0.0001653200000000, 0.0002798300000000, -0.0000834900000000 ] - [ 0.0003386200000000, 0.0000276500000000, 0.0005936800000000 ] - [ 0.0000451900000000, 0.0000194300000000, 0.0015261900000000 ] - [ -0.0000320000000000, -0.0000292300000000, 0.0012820700000000 ] - [ 0.0004398900000000, 0.0000053100000000, 0.0007003700000000 ] - [ -0.0013503400000000, 0.0005944800000000, 0.0011141600000000 ] - [ 0.0003250000000000, -0.0000032600000000, -0.0000834900000000 ] - [ -0.0002153500000000, 0.0003836100000000, 0.0007003700000000 ] - [ -0.0028705300000000, -0.0049719000000000, 0.0050127000000000 ] - [ -0.0000498400000000, -0.0000863300000000, 0.0013614000000000 ] - [ 0.0008515000000000, 0.0000088500000000, -0.0021535200000000 ] - [ 0.0001437100000000, 0.0013059600000000, 0.0011416100000000 ] - [ -0.0001786700000000, -0.0003094700000000, -0.0022306900000000 ] - [ -0.0030214300000000, 0.0057023500000000, 0.0059717400000000 ] - [ -0.0006059900000000, -0.0004354100000000, -0.0011883100000000 ] - [ 0.0001609400000000, -0.0001180400000000, 0.0011320000000000 ] - [ -0.0039920800000000, -0.0008979800000000, -0.0041470000000000 ] - [ -0.0000740800000000, -0.0007425100000000, -0.0011883100000000 ] - [ 0.0068969600000000, -0.0129110000000000, 0.0029313000000000 ] - [ 0.0007224100000000, 0.0032350100000000, -0.0038340200000000 ] - [ -0.0000093200000000, -0.0000423300000000, 0.0012820700000000 ] - [ -0.0001827000000000, 0.0000803600000000, 0.0011320000000000 ] - [ 0.0010591400000000, 0.0007774400000000, 0.0011416100000000 ] - [ 0.0002760300000000, -0.0004466600000000, 0.0017264600000000 ] - [ -0.0002557400000000, -0.0004429500000000, 0.0016500200000000 ] - [ -0.0146297300000000, -0.0004825600000000, 0.0029313000000000 ] - [ 0.0002984300000000, 0.0001318000000000, -0.0001786300000000 ] - [ -0.0002042400000000, -0.0000731700000000, 0.0011325900000000 ] - [ 0.0071544800000000, 0.0123919200000000, 0.0040666200000000 ] - [ -0.0006968400000000, 0.0004051400000000, -0.0009606300000000 ] - [ 0.0012183700000000, -0.0039062300000000, -0.0041470000000000 ] - [ -0.0003150100000000, -0.0003345100000000, 0.0007148600000000 ] - [ 0.0000441200000000, 0.0000052800000000, 0.0010917400000000 ] - [ -0.0005255500000000, -0.0000339100000000, 0.0032900200000000 ] - [ 0.0000152400000000, 0.0001007600000000, 0.0013887700000000 ] - [ 0.0024041500000000, -0.0037386200000000, 0.0024344700000000 ] - [ 0.0082010900000000, -0.0002092000000000, -0.0089864400000000 ] - [ 0.0017269800000000, 0.0029912200000000, -0.6991637000000001 ] - [ -0.0042817200000000, 0.0069977500000000, -0.0089864400000000 ] - [ 0.0000255200000000, 0.0000442000000000, 0.0035236900000000 ] - [ 0.0029579800000000, 0.0051233700000000, -0.0009483000000000 ] - [ -0.0006966000000000, -0.0012065500000000, 0.0028136500000000 ] - [ -0.0009367800000000, 0.0013373100000000, 0.0028142100000000 ] - [ -0.0001516700000000, -0.0001735500000000, -0.0052025300000000 ] - [ -0.0044398200000000, 0.0002127400000000, 0.0024344700000000 ] - [ 0.0016265400000000, -0.0001426200000000, 0.0028142100000000 ] - [ 0.0002334100000000, -0.0004720900000000, 0.0032900200000000 ] - [ 0.0002945100000000, 0.0005101100000000, 0.0033065000000000 ] - [ -0.0000744600000000, -0.0002181200000000, -0.0052025300000000 ] - [ 0.0000796400000000, 0.0000635800000000, 0.0013887700000000 ] - [ -0.0002080200000000, 0.0000061100000000, 0.0029685000000000 ] - [ 0.0001093000000000, -0.0001771000000000, 0.0029685000000000 ] - [ -0.0031080700000000, -0.0053833400000000, -0.0000728900000000 ] - [ -0.0001188700000000, -0.0002058900000000, 0.0102597500000000 ] - [ -0.0005077000000000, 0.0000026700000000, -0.0009076600000000 ] - [ 0.0002561600000000, -0.0004383500000000, -0.0009076600000000 ] - [ 0.0001786700000000, 0.0003094700000000, -0.0006065100000000 ] - [ 0.0023361600000000, 0.0029457700000000, 0.0012651000000000 ] - [ 0.0002735300000000, 0.0003454400000000, -0.0000005200000000 ] - [ -0.0001897400000000, 0.0000582200000000, -0.0008317000000000 ] - [ 0.0000051000000000, -0.0000019000000000, -0.0016222100000000 ] - [ -0.0010516300000000, 0.0023797800000000, -0.0014804100000000 ] - [ -0.0492355600000000, -0.0852784900000000, 0.1252660600000000 ] - [ 0.0005809700000000, -0.0001456500000000, 0.0016020500000000 ] - [ -0.0003917500000000, -0.0003473000000000, 0.0013948600000000 ] - [ 0.0005816700000000, 0.0010074800000000, 0.0000002000000000 ] - [ 0.0001459400000000, -0.0002602300000000, -0.0018443600000000 ] - [ -0.0002942300000000, 0.0002473900000000, -0.0009354000000000 ] - [ 0.0001738500000000, 0.0000034800000000, -0.0006652900000000 ] - [ 0.0020786700000000, -0.0037962600000000, 0.0012367200000000 ] - [ 0.0026529000000000, -0.0004849800000000, -0.0015429900000000 ] - [ -0.0002300700000000, -0.0003985000000000, -0.0020823500000000 ] - [ -0.0017464500000000, 0.0020549900000000, -0.0015429900000000 ] - [ -0.0042366100000000, 0.0002557200000000, 0.0012517800000000 ] - [ 0.0013830400000000, 0.0034960600000000, 0.0012651000000000 ] - [ 0.0002661800000000, 0.0000217600000000, -0.0009491500000000 ] - [ -0.0002404500000000, 0.0000786800000000, -0.0008738900000000 ] - [ 0.0000820700000000, -0.0015943700000000, -0.0001819100000000 ] - [ 0.0043058600000000, 0.0074579600000000, 0.3358537300000000 ] - [ -0.0001049000000000, -0.0005129100000000, 0.0013948600000000 ] - [ -0.0002983300000000, -0.0000037300000000, -0.0018443600000000 ] - [ 0.0003313100000000, -0.0004107600000000, -0.0004623400000000 ] - [ 0.0003231700000000, 0.0000712300000000, -0.0020716500000000 ] - [ 0.0007277500000000, -0.0000386700000000, -0.0016933800000000 ] - [ 0.0001883600000000, -0.0001689000000000, -0.0008738900000000 ] - [ 0.0003032600000000, -0.0005201600000000, 0.0070492900000000 ] - [ -0.0005213800000000, 0.0000815400000000, -0.0004623400000000 ] - [ 0.0014870200000000, 0.0025755900000000, 0.0016423900000000 ] - [ 0.0000129400000000, -0.0002509500000000, -0.0010016300000000 ] - [ -0.0008905700000000, 0.0013562300000000, 0.0001229300000000 ] - [ -0.0016955500000000, -0.0000427900000000, -0.0016315000000000 ] - [ -0.0001142400000000, 0.0002414000000000, -0.0009491500000000 ] - [ 0.0006867600000000, 0.0001864400000000, 0.0014537300000000 ] - [ -0.0001959900000000, -0.0003394600000000, -0.0009095700000000 ] - [ 0.0000620400000000, -0.0000071900000000, -0.0012724800000000 ] - [ -0.0004166200000000, 0.0004303100000000, 0.0016020500000000 ] - [ -0.0002280500000000, -0.0003306100000000, -0.0009365500000000 ] - [ 0.0016198200000000, -0.0000931400000000, 0.0001229300000000 ] - [ 0.0001452900000000, -0.0001352100000000, -0.0008317000000000 ] - [ 0.0000919500000000, 0.0001572400000000, -0.0039208100000000 ] - [ 0.0003243900000000, -0.0000025800000000, -0.0009769700000000 ] - [ -0.0001819100000000, 0.0006879700000000, 0.0014537300000000 ] - [ -0.0004873800000000, -0.0002263900000000, -0.0000350200000000 ] - [ -0.0000839100000000, 0.0001523000000000, -0.0006652900000000 ] - [ -0.0000070800000000, 0.0000606700000000, 0.0031143300000000 ] - [ -0.0000041900000000, 0.0000034700000000, -0.0016222100000000 ] - [ 0.0000560800000000, 0.0000242000000000, 0.0031143300000000 ] - [ -0.0001656000000000, 0.0003649800000000, -0.0009346400000000 ] - [ 0.0841573900000000, 0.0010792400000000, 0.1144667400000000 ] - [ -0.0002238000000000, -0.0001142700000000, -0.0010016300000000 ] - [ 0.0003988800000000, 0.0000390800000000, -0.0009346400000000 ] - [ -0.0003973600000000, 0.0006109100000000, -0.0016933800000000 ] - [ -0.0000522000000000, -0.0000904100000000, -0.0025256400000000 ] - [ -0.0001242800000000, -0.0002152500000000, -0.0007392500000000 ] - [ -0.0014218000000000, -0.0007261200000000, -0.0001819100000000 ] - [ 0.0000902000000000, 0.0001582600000000, -0.0039208100000000 ] - [ 0.0002880400000000, 0.0000999600000000, -0.0008703000000000 ] - [ -0.0022026400000000, -0.0038150800000000, -0.0006844900000000 ] - [ 0.0007699300000000, 0.0013335500000000, -0.0016728300000000 ] - [ -0.0000287700000000, -0.0000498300000000, -0.0054303600000000 ] - [ -0.0000999000000000, 0.0003154900000000, -0.0020716500000000 ] - [ 0.0000611200000000, 0.0001058600000000, -0.0044821100000000 ] - [ -0.0006021000000000, 0.0000025500000000, 0.0070492900000000 ] - [ 0.0016176800000000, -0.0026598900000000, 0.0010061300000000 ] - [ 0.0023397600000000, -0.0035411500000000, 0.0012517800000000 ] - [ 0.0008107100000000, -0.0014897800000000, -0.0016315000000000 ] - [ 0.0025867700000000, 0.0002791500000000, -0.0014804100000000 ] - [ -0.0031123700000000, 0.0000710000000000, 0.0010061300000000 ] - [ -0.0411440500000000, 0.0734220500000000, 0.1144667400000000 ] - [ -0.0043270000000000, -0.0000979500000000, 0.0012367200000000 ] - [ -0.0001722900000000, -0.0003628100000000, -0.0009365500000000 ] - [ 0.0003613700000000, -0.0001311200000000, -0.0009354000000000 ] - [ -0.0003105200000000, 0.0005132500000000, -0.0010840500000000 ] - [ 0.0001538700000000, 0.0002665200000000, -0.0018977000000000 ] - [ -0.0011649700000000, -0.0020177900000000, 0.0009038500000000 ] - [ -0.0001644300000000, 0.0002796400000000, -0.0009769700000000 ] - [ 0.0001623900000000, 0.0004096100000000, -0.0000005200000000 ] - [ 0.0005997500000000, -0.0000122900000000, -0.0010840500000000 ] - [ -0.0000574500000000, 0.0002994300000000, -0.0008703000000000 ] - [ -0.0000372500000000, 0.0000501400000000, -0.0012724800000000 ] - [ 0.0000476300000000, -0.0005352800000000, -0.0000350200000000 ] - [ -0.0010948800000000, -0.0000156200000000, 0.0038830200000000 ] - [ -0.0000523900000000, -0.0000907400000000, -0.0013816100000000 ] - [ 0.0000196400000000, 0.0000115600000000, -0.0000916600000000 ] - [ -0.0002500700000000, 0.0000096500000000, -0.0006555900000000 ] - [ 0.0017640900000000, 0.0000049400000000, -0.0001319000000000 ] - [ 0.0000522000000000, 0.0000904200000000, -0.0060046900000000 ] - [ -0.0008777700000000, 0.0015302200000000, -0.0001319000000000 ] - [ 0.0000913300000000, 0.0001582000000000, -0.0015706100000000 ] - [ 0.0005280500000000, 0.0009146100000000, 0.0048271400000000 ] - [ 0.0010005800000000, 0.0017330500000000, -0.0001734600000000 ] - [ 0.0005339100000000, -0.0009560000000000, 0.0038830200000000 ] - [ -0.0008378800000000, -0.0014512600000000, -0.0000870600000000 ] - [ 0.0008757100000000, -0.0015860700000000, -0.0001864400000000 ] - [ 0.0001333900000000, -0.0002117400000000, -0.0006555900000000 ] - [ -0.0018114300000000, -0.0000346500000000, -0.0001864400000000 ] - [ 0.0000977700000000, 0.0000016700000000, -0.0008280600000000 ] - [ 0.0000001900000000, 0.0000227900000000, -0.0000916600000000 ] - [ -0.0000474400000000, 0.0000855100000000, -0.0008280600000000 ]- atom: 68 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002925100000000, -0.0002569500000000, -0.0012816500000000 ] - [ 0.0010553500000000, 0.0008142700000000, -0.0007781900000000 ] - [ -0.0000485900000000, 0.0000990700000000, -0.0007591300000000 ] - [ -0.0011737900000000, 0.0005955600000000, -0.0008611000000000 ] - [ -0.0001042200000000, 0.0001400500000000, -0.0010365800000000 ] - [ -0.0001859000000000, -0.0007061900000000, 0.0001656400000000 ] - [ -0.0059172500000000, -0.0002276100000000, -0.0059177300000000 ] - [ -0.0005396500000000, -0.0009347000000000, -0.0019689000000000 ] - [ -0.0001084200000000, 0.0002006700000000, -0.0009672000000000 ] - [ -0.0002121600000000, 0.0007756100000000, 0.0001342100000000 ] - [ -0.0000222400000000, 0.0002008300000000, -0.0002380600000000 ] - [ -0.0000066300000000, 0.0000022300000000, -0.0009651400000000 ] - [ 0.0033112600000000, -0.0012747000000000, 0.0030948600000000 ] - [ -0.0000074500000000, -0.0001653900000000, -0.0007652000000000 ] - [ 0.0009434800000000, -0.0001222800000000, -0.0019727500000000 ] - [ -0.0000694100000000, -0.0001202200000000, -0.0002876100000000 ] - [ 0.0001775100000000, 0.0013210900000000, -0.0007781900000000 ] - [ 0.0001850400000000, 0.0000811600000000, -0.0002380600000000 ] - [ -0.0000611900000000, -0.0005534800000000, 0.0013358800000000 ] - [ 0.0002235600000000, -0.0003133400000000, 0.0015564900000000 ] - [ 0.0007777800000000, 0.0002040700000000, 0.0001342100000000 ] - [ -0.0004487400000000, -0.0003297400000000, 0.0013358800000000 ] - [ 0.0000143700000000, -0.0002202400000000, -0.0007003400000000 ] - [ 0.0001100900000000, 0.0000074600000000, -0.0007591300000000 ] - [ -0.0004179200000000, 0.0004079900000000, 0.0015512400000000 ] - [ -0.0027595600000000, 0.0022302900000000, 0.0030948600000000 ] - [ -0.0025485700000000, -0.0020332700000000, 0.0034816400000000 ] - [ -0.0001395100000000, -0.0000891500000000, -0.0007652000000000 ] - [ -0.0003687800000000, 0.0001248400000000, -0.0012816500000000 ] - [ 0.0000218400000000, 0.0001091300000000, -0.0010191000000000 ] - [ 0.0009112500000000, -0.0002905300000000, 0.0001190400000000 ] - [ 0.0001734000000000, -0.0000202300000000, -0.0010365800000000 ] - [ 0.0000835900000000, 0.0000734800000000, -0.0010191000000000 ] - [ 0.0001612000000000, -0.0000778800000000, -0.0007773300000000 ] - [ -0.0000027100000000, 0.0000984100000000, -0.0009590000000000 ] - [ 0.0011026700000000, -0.0007187500000000, -0.0008611000000000 ] - [ -0.0007072300000000, 0.0006439000000000, 0.0001190400000000 ] - [ 0.0000865800000000, 0.0000468600000000, -0.0009590000000000 ] - [ 0.0024581400000000, 0.0042576200000000, -0.0049330100000000 ] - [ -0.0000804200000000, -0.0001392800000000, -0.0012289200000000 ] - [ -0.0003831400000000, 0.0000369400000000, 0.0015564900000000 ] - [ 0.0000902200000000, -0.0014880300000000, -0.0008920500000000 ] - [ 0.0000711400000000, 0.0001232200000000, 0.0018844600000000 ] - [ 0.0027615100000000, -0.0052382900000000, -0.0059177300000000 ] - [ 0.0005723200000000, 0.0001270800000000, 0.0012892700000000 ] - [ 0.0001801900000000, -0.0001313400000000, -0.0006993500000000 ] - [ 0.0036976700000000, 0.0012646800000000, 0.0035345000000000 ] - [ -0.0001761100000000, 0.0005591800000000, 0.0012892700000000 ] - [ -0.0071885500000000, 0.0131851800000000, -0.0028807600000000 ] - [ -0.0004865800000000, -0.0032237700000000, 0.0034816400000000 ] - [ -0.0001480500000000, 0.0001006700000000, -0.0007773300000000 ] - [ -0.0002038400000000, 0.0000903800000000, -0.0006993500000000 ] - [ -0.0013337800000000, -0.0006658800000000, -0.0008920500000000 ] - [ -0.0005776400000000, 0.0007559300000000, -0.0019727500000000 ] - [ 0.0001905900000000, 0.0003301000000000, -0.0013725800000000 ] - [ 0.0150129800000000, 0.0003671200000000, -0.0028807600000000 ] - [ -0.0005186200000000, -0.0005140900000000, 0.0001656400000000 ] - [ -0.0001979200000000, -0.0000976800000000, -0.0007003400000000 ] - [ -0.0073468600000000, -0.0127251300000000, -0.0035378000000000 ] - [ 0.0005622900000000, -0.0001579400000000, 0.0015512400000000 ] - [ -0.0007535900000000, 0.0038346100000000, 0.0035345000000000 ] - [ 0.0000052400000000, -0.0000046300000000, -0.0009651400000000 ] - [ 0.0002279900000000, 0.0000064400000000, -0.0009672000000000 ] - [ 0.0005775900000000, -0.0000560800000000, -0.0026900700000000 ] - [ -0.0000832400000000, 0.0000126600000000, -0.0011438800000000 ] - [ -0.0023881400000000, 0.0037136100000000, -0.0022761500000000 ] - [ -0.0081876500000000, 0.0002071600000000, 0.0080281600000000 ] - [ -0.0003631600000000, -0.0006290100000000, 0.7270649900000000 ] - [ 0.0042732300000000, -0.0069871300000000, 0.0080281600000000 ] - [ -0.0000234500000000, -0.0000406100000000, -0.0026155300000000 ] - [ -0.0029324800000000, -0.0050792100000000, 0.0002203900000000 ] - [ 0.0009232800000000, 0.0015991600000000, -0.0032746900000000 ] - [ 0.0004634900000000, -0.0013225000000000, -0.0032807200000000 ] - [ -0.0004142500000000, 0.0001750800000000, 0.0050936100000000 ] - [ 0.0044101500000000, -0.0002113800000000, -0.0022761500000000 ] - [ -0.0013770600000000, -0.0002598500000000, -0.0032807200000000 ] - [ -0.0003373600000000, 0.0004721600000000, -0.0026900700000000 ] - [ -0.0002391900000000, -0.0004142900000000, -0.0027010300000000 ] - [ 0.0003587500000000, -0.0002712100000000, 0.0050936100000000 ] - [ 0.0000525900000000, -0.0000657500000000, -0.0011438800000000 ] - [ 0.0002194700000000, -0.0000150300000000, -0.0035523900000000 ] - [ -0.0001227500000000, 0.0001825500000000, -0.0035523900000000 ] - [ 0.0031053100000000, 0.0053785600000000, 0.0007811800000000 ] - [ 0.0000503000000000, 0.0000871300000000, -0.0100075000000000 ] - [ 0.0005065600000000, -0.0000065200000000, 0.0006656600000000 ] - [ -0.0002589300000000, 0.0004354300000000, 0.0006656600000000 ] - [ -0.0001765100000000, -0.0003057200000000, 0.0009306400000000 ] - [ -0.0022152400000000, -0.0031443200000000, -0.0010190600000000 ] - [ 0.0001531100000000, -0.0001663700000000, 0.0005452600000000 ] - [ 0.0008158600000000, -0.0000630100000000, 0.0012534000000000 ] - [ -0.0000052000000000, 0.0000008100000000, 0.0026819000000000 ] - [ 0.0012422000000000, -0.0020890000000000, 0.0008340500000000 ] - [ 0.0481169700000000, 0.0833410400000000, -0.1256005500000000 ] - [ -0.0008838100000000, 0.0001541000000000, -0.0016883100000000 ] - [ 0.0006584800000000, 0.0004950400000000, -0.0018870900000000 ] - [ -0.0005830500000000, -0.0010098700000000, -0.0008294200000000 ] - [ -0.0000610900000000, 0.0002527000000000, 0.0022892500000000 ] - [ -0.0002071900000000, 0.0001416200000000, 0.0013072000000000 ] - [ 0.0009339800000000, 0.0000011300000000, 0.0014663100000000 ] - [ -0.0037461400000000, 0.0037429900000000, -0.0022172100000000 ] - [ -0.0024355900000000, 0.0002075700000000, 0.0008967800000000 ] - [ 0.0001378500000000, 0.0002387700000000, 0.0018760200000000 ] - [ 0.0013975500000000, -0.0020054900000000, 0.0008967800000000 ] - [ 0.0051087600000000, 0.0011594100000000, -0.0022333700000000 ] - [ -0.0016154400000000, -0.0034906200000000, -0.0010190600000000 ] - [ 0.0000047400000000, 0.0004194300000000, 0.0007011800000000 ] - [ 0.0008042600000000, 0.0001624700000000, 0.0012464000000000 ] - [ -0.0002097900000000, 0.0017999500000000, 0.0001971700000000 ] - [ -0.0049363000000000, -0.0085499300000000, -0.3625002400000000 ] - [ 0.0000994700000000, 0.0008177800000000, -0.0018870900000000 ] - [ 0.0002493900000000, 0.0000734500000000, 0.0022892500000000 ] - [ -0.0001015300000000, 0.0000206500000000, 0.0001219100000000 ] - [ -0.0004175300000000, 0.0000766500000000, 0.0018660900000000 ] - [ -0.0007212200000000, 0.0000418500000000, 0.0016668200000000 ] - [ -0.0002614300000000, 0.0007777400000000, 0.0012464000000000 ] - [ -0.0002960100000000, 0.0004999000000000, -0.0054280600000000 ] - [ 0.0000686500000000, -0.0000776000000000, 0.0001219100000000 ] - [ -0.0013701100000000, -0.0023731000000000, -0.0013885800000000 ] - [ -0.0002240300000000, 0.0002397500000000, 0.0006645300000000 ] - [ 0.0010211500000000, -0.0016516800000000, -0.0007641900000000 ] - [ 0.0011575100000000, 0.0000490300000000, 0.0013762100000000 ] - [ 0.0003608700000000, 0.0002138200000000, 0.0007011800000000 ] - [ -0.0009447100000000, -0.0000237200000000, -0.0019482600000000 ] - [ -0.0001181000000000, -0.0002045600000000, 0.0013329100000000 ] - [ 0.0000687000000000, 0.0000132700000000, 0.0007565500000000 ] - [ 0.0005753500000000, -0.0006883500000000, -0.0016883100000000 ] - [ 0.0001487700000000, 0.0001841700000000, 0.0012498300000000 ] - [ -0.0019409700000000, 0.0000585000000000, -0.0007641900000000 ] - [ -0.0004624900000000, 0.0006750500000000, 0.0012534000000000 ] - [ -0.0004631900000000, 0.0001199600000000, 0.0044686500000000 ] - [ -0.0000658700000000, -0.0004708100000000, 0.0007275900000000 ] - [ 0.0004518100000000, -0.0008300000000000, -0.0019482600000000 ] - [ 0.0001328000000000, -0.0000449200000000, 0.0005776300000000 ] - [ -0.0004660200000000, 0.0008094200000000, 0.0014663100000000 ] - [ -0.0001235900000000, 0.0001793800000000, -0.0034808900000000 ] - [ 0.0000033000000000, -0.0000041000000000, 0.0026819000000000 ] - [ 0.0002171400000000, -0.0000173400000000, -0.0034808900000000 ] - [ 0.0000789200000000, -0.0002090700000000, 0.0012439900000000 ] - [ -0.0830621700000000, -0.0012240000000000, -0.1156231800000000 ] - [ 0.0003196500000000, -0.0000741400000000, 0.0006645300000000 ] - [ -0.0002205200000000, -0.0000361900000000, 0.0012439900000000 ] - [ 0.0003968500000000, -0.0006036700000000, 0.0016668200000000 ] - [ 0.0000532400000000, 0.0000922200000000, 0.0016437600000000 ] - [ -0.0004289900000000, -0.0007430300000000, 0.0015400700000000 ] - [ 0.0016636900000000, 0.0007182900000000, 0.0001971700000000 ] - [ 0.0003354900000000, -0.0003411500000000, 0.0044686500000000 ] - [ -0.0003623300000000, -0.0007207000000000, 0.0012424500000000 ] - [ 0.0020553900000000, 0.0035600300000000, 0.0006982500000000 ] - [ -0.0006591700000000, -0.0011417100000000, 0.0013288600000000 ] - [ -0.0000312000000000, -0.0000540500000000, 0.0049155100000000 ] - [ 0.0002751500000000, -0.0003232700000000, 0.0018660900000000 ] - [ 0.0001657200000000, 0.0002870400000000, 0.0041413600000000 ] - [ 0.0005809300000000, -0.0000064000000000, -0.0054280600000000 ] - [ -0.0007481200000000, 0.0012376500000000, -0.0019838800000000 ] - [ -0.0015503000000000, 0.0050040200000000, -0.0022333700000000 ] - [ -0.0005362900000000, 0.0010269400000000, 0.0013762100000000 ] - [ -0.0024302300000000, 0.0000312800000000, 0.0008340500000000 ] - [ 0.0014458900000000, -0.0000290700000000, -0.0019838800000000 ] - [ 0.0404710700000000, -0.0725459500000000, -0.1156231800000000 ] - [ 0.0051145900000000, -0.0013727600000000, -0.0022172100000000 ] - [ 0.0000851100000000, 0.0002209200000000, 0.0012498300000000 ] - [ 0.0002262400000000, -0.0001086200000000, 0.0013072000000000 ] - [ 0.0002254000000000, -0.0003746900000000, 0.0013973300000000 ] - [ -0.0001965000000000, -0.0003403500000000, 0.0023438500000000 ] - [ 0.0011613100000000, 0.0020114500000000, -0.0009552600000000 ] - [ -0.0003748000000000, -0.0002924500000000, 0.0007275900000000 ] - [ -0.0002206400000000, 0.0000494100000000, 0.0005452600000000 ] - [ -0.0004371900000000, 0.0000078500000000, 0.0013973300000000 ] - [ -0.0004429800000000, -0.0006741400000000, 0.0012424500000000 ] - [ -0.0000228600000000, 0.0000661300000000, 0.0007565500000000 ] - [ -0.0001053000000000, 0.0000925500000000, 0.0005776300000000 ] - [ 0.0011593000000000, -0.0000689200000000, -0.0039361500000000 ] - [ -0.0000628300000000, -0.0001088200000000, 0.0015734400000000 ] - [ -0.0000230300000000, -0.0000289300000000, 0.0002521500000000 ] - [ -0.0002092200000000, -0.0000038300000000, 0.0009890100000000 ] - [ -0.0017377800000000, -0.0000529600000000, 0.0001590400000000 ] - [ -0.0000532600000000, -0.0000922500000000, 0.0060869100000000 ] - [ 0.0008230300000000, -0.0015314500000000, 0.0001590400000000 ] - [ 0.0001420300000000, 0.0002460000000000, 0.0018918100000000 ] - [ -0.0005001900000000, -0.0008663600000000, -0.0048911100000000 ] - [ -0.0009828000000000, -0.0017022500000000, -0.0005133100000000 ] - [ -0.0006393400000000, 0.0009695200000000, -0.0039361500000000 ] - [ 0.0008642400000000, 0.0014969000000000, 0.0001110600000000 ] - [ -0.0008859400000000, 0.0015855400000000, -0.0005045500000000 ] - [ 0.0001012900000000, -0.0001831000000000, 0.0009890100000000 ] - [ 0.0018160900000000, 0.0000255200000000, -0.0005045500000000 ] - [ 0.0001393600000000, 0.0000009500000000, 0.0010194800000000 ] - [ -0.0000135400000000, -0.0000344100000000, 0.0002521500000000 ] - [ -0.0000688600000000, 0.0001211700000000, 0.0010194800000000 ]- atom: 70 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001102000000000, 0.0011197600000000, -0.0002459800000000 ] - [ -0.0004292900000000, 0.0001421600000000, 0.0003771900000000 ] - [ -0.0007926400000000, -0.0025856000000000, -0.0058943500000000 ] - [ 0.0003929100000000, 0.0000196500000000, -0.0002267600000000 ] - [ -0.0014340200000000, -0.0009703500000000, 0.0052526200000000 ] - [ -0.0001796400000000, -0.0003675500000000, 0.0006040600000000 ] - [ -0.0000720900000000, 0.0000149500000000, -0.0000226900000000 ] - [ -0.0014340200000000, 0.0009703500000000, 0.0052526200000000 ] - [ 0.0007289400000000, -0.0018191700000000, 0.0000895700000000 ] - [ -0.0001398600000000, 0.0003096400000000, -0.0006002700000000 ] - [ 0.0003929100000000, -0.0000196500000000, -0.0002267600000000 ] - [ 0.0018605200000000, 0.0006646500000000, -0.0012870100000000 ] - [ -0.0000054700000000, -0.0001841500000000, -0.0002383400000000 ] - [ 0.0079976900000000, -0.0058521600000000, -0.0000717800000000 ] - [ 0.0010706800000000, 0.0009416600000000, 0.0004844200000000 ] - [ -0.0004292900000000, -0.0001421600000000, 0.0003771900000000 ] - [ -0.0002901100000000, 0.0000000000000000, -0.0002467100000000 ] - [ 0.0002879900000000, -0.0001704300000000, 0.0003430500000000 ] - [ -0.0000482300000000, 0.0002121800000000, 0.0001638700000000 ] - [ -0.0000054700000000, 0.0001841500000000, -0.0002383400000000 ] - [ -0.0000720900000000, -0.0000149500000000, -0.0000226900000000 ] - [ 0.0000525700000000, 0.0000651700000000, 0.0000368800000000 ] - [ -0.0001102000000000, -0.0011197600000000, -0.0002459800000000 ] - [ 0.0038610800000000, 0.0000000000000000, 0.0122430700000000 ] - [ 0.0002989400000000, 0.0000000000000000, 0.0003377600000000 ] - [ -0.0001492900000000, -0.0002226800000000, -0.0003133300000000 ] - [ -0.0001332800000000, 0.0000948900000000, -0.0002070000000000 ] - [ 0.0110535900000000, -0.0097039900000000, 0.0002107000000000 ] - [ 0.0010079500000000, 0.0012154900000000, -0.0003773900000000 ] - [ 0.0079976900000000, 0.0058521600000000, -0.0000717800000000 ] - [ 0.0009870900000000, 0.0000000000000000, 0.0002691500000000 ] - [ 0.0010280400000000, 0.0000000000000000, -0.0112194600000000 ] - [ -0.0037540200000000, 0.0046202200000000, 0.0006329100000000 ] - [ -0.0037540200000000, -0.0046202200000000, 0.0006329100000000 ] - [ 0.0010706800000000, -0.0009416600000000, 0.0004844200000000 ] - [ -0.0002179900000000, -0.0002025400000000, 0.0002598200000000 ] - [ -0.0001004700000000, 0.0000219300000000, -0.0001068800000000 ] - [ 0.0018605200000000, -0.0006646500000000, -0.0012870100000000 ] - [ -0.0001004700000000, -0.0000219300000000, -0.0001068800000000 ] - [ 0.0007289400000000, 0.0018191700000000, 0.0000895700000000 ] - [ 0.0002658900000000, -0.0000335300000000, -0.0003360900000000 ] - [ 0.0002879900000000, 0.0001704300000000, 0.0003430500000000 ] - [ -0.0001332800000000, -0.0000948900000000, -0.0002070000000000 ] - [ -0.0001796400000000, 0.0003675500000000, 0.0006040600000000 ] - [ -0.0000482300000000, -0.0002121800000000, 0.0001638700000000 ] - [ 0.0010079500000000, -0.0012154900000000, -0.0003773900000000 ] - [ -0.0001492900000000, 0.0002226800000000, -0.0003133300000000 ] - [ -0.0001108000000000, -0.0000972800000000, -0.0000276100000000 ] - [ -0.0001108000000000, 0.0000972800000000, -0.0000276100000000 ] - [ 0.0000479500000000, 0.0000000000000000, -0.0000941100000000 ] - [ 0.0110535900000000, 0.0097039900000000, 0.0002107000000000 ] - [ 0.0018797100000000, -0.0006686700000000, 0.0012705300000000 ] - [ -0.0002179900000000, 0.0002025400000000, 0.0002598200000000 ] - [ -0.0003826800000000, 0.0010312900000000, 0.0004159300000000 ] - [ -0.0007926400000000, 0.0025856000000000, -0.0058943500000000 ] - [ 0.0000525700000000, -0.0000651700000000, 0.0000368800000000 ] - [ -0.0001398600000000, -0.0003096400000000, -0.0006002700000000 ] - [ 0.0018797100000000, 0.0006686700000000, 0.0012705300000000 ] - [ -0.0000407300000000, -0.0000442100000000, 0.0002718100000000 ] - [ -0.0000407300000000, 0.0000442100000000, 0.0002718100000000 ] - [ 0.0002658900000000, 0.0000335300000000, -0.0003360900000000 ] - [ -0.0003826800000000, -0.0010312900000000, 0.0004159300000000 ] - [ 0.0042913900000000, 0.0000000000000000, 0.0000017100000000 ] - [ -0.0078633600000000, -0.0091757700000000, 0.0025223300000000 ] - [ -0.0003098200000000, -0.0004080500000000, -0.0012270800000000 ] - [ 0.0006541500000000, -0.0003312600000000, 0.0000787700000000 ] - [ 0.0001517300000000, -0.0000009900000000, -0.0004950900000000 ] - [ 0.0000433500000000, 0.0004040700000000, -0.0000291500000000 ] - [ 0.0001517300000000, 0.0000009900000000, -0.0004950900000000 ] - [ -0.7493669100000000, 0.0000000000000000, -0.0068094900000000 ] - [ -0.0013979800000000, 0.0000000000000000, -0.0003357800000000 ] - [ -0.0030761500000000, 0.0049128500000000, -0.0045266800000000 ] - [ 0.0047441200000000, 0.0000000000000000, 0.0083073000000000 ] - [ -0.0001049600000000, 0.0000000000000000, -0.0001030100000000 ] - [ 0.0006541500000000, 0.0003312600000000, 0.0000787700000000 ] - [ -0.0030761500000000, -0.0049128500000000, -0.0045266800000000 ] - [ 0.0078814300000000, 0.0000000000000000, -0.0041505100000000 ] - [ -0.0078633600000000, 0.0091757700000000, 0.0025223300000000 ] - [ 0.0000433500000000, -0.0004040700000000, -0.0000291500000000 ] - [ 0.0005931400000000, 0.0000000000000000, 0.0028043400000000 ] - [ 0.0035429800000000, -0.0037140000000000, -0.0002911900000000 ] - [ 0.0035429800000000, 0.0037140000000000, -0.0002911900000000 ] - [ -0.0002684800000000, 0.0000000000000000, 0.0003469500000000 ] - [ -0.0003098200000000, 0.0004080500000000, -0.0012270800000000 ] - [ -0.0003383900000000, -0.0000033600000000, -0.0001208100000000 ] - [ -0.0003383900000000, 0.0000033600000000, -0.0001208100000000 ] - [ 0.0029823000000000, 0.0000000000000000, 0.0001723300000000 ] - [ 0.0001549200000000, -0.0001287500000000, 0.0001326100000000 ] - [ 0.0002999700000000, 0.0002400500000000, 0.0006122600000000 ] - [ -0.0041294300000000, 0.0000000000000000, -0.0002134000000000 ] - [ -0.0009523200000000, 0.0006979800000000, 0.0005294400000000 ] - [ 0.0000289300000000, 0.0002121400000000, -0.0002837800000000 ] - [ 0.0000684500000000, 0.0000457400000000, -0.0000487400000000 ] - [ -0.0003097200000000, 0.0000000000000000, -0.0000398300000000 ] - [ 0.0000969100000000, 0.0000625600000000, -0.0001734100000000 ] - [ 0.0001162400000000, 0.0000000000000000, -0.0004084200000000 ] - [ -0.0044425300000000, 0.0000000000000000, -0.0046352200000000 ] - [ -0.0040726200000000, 0.0010022600000000, 0.0030391300000000 ] - [ 0.3508131500000000, 0.0000000000000000, 0.0942140600000000 ] - [ -0.0009215300000000, -0.0000719600000000, -0.0005195900000000 ] - [ 0.0000289300000000, -0.0002121400000000, -0.0002837800000000 ] - [ 0.0014431800000000, -0.0016361600000000, -0.0013604800000000 ] - [ -0.0005590800000000, -0.0000525300000000, -0.0002962900000000 ] - [ 0.0003434800000000, 0.0006898100000000, -0.0004668900000000 ] - [ 0.0000231400000000, 0.0000000000000000, 0.0001241200000000 ] - [ -0.0008004300000000, 0.0004776100000000, -0.0022256700000000 ] - [ 0.0047608300000000, -0.0002632700000000, 0.0016617200000000 ] - [ 0.0004974200000000, -0.0001545200000000, -0.0001564100000000 ] - [ -0.0000434000000000, -0.0001584200000000, -0.0001768600000000 ] - [ 0.0000475400000000, 0.0002453100000000, -0.0003232700000000 ] - [ 0.0014985700000000, 0.0035114900000000, 0.0026735200000000 ] - [ -0.0000587500000000, 0.0002320600000000, 0.0001616900000000 ] - [ 0.0014431800000000, 0.0016361600000000, -0.0013604800000000 ] - [ -0.0003687100000000, -0.0000294900000000, -0.0000114300000000 ] - [ 0.0013323400000000, -0.0070883000000000, -0.0041452000000000 ] - [ -0.0000417100000000, 0.0000032100000000, 0.0008191900000000 ] - [ -0.0011421100000000, 0.0000000000000000, -0.0008319000000000 ] - [ 0.0001549200000000, 0.0001287500000000, 0.0001326100000000 ] - [ -0.0042490600000000, 0.0000000000000000, -0.0021312700000000 ] - [ -0.0002881100000000, 0.0001274000000000, -0.0003919100000000 ] - [ 0.0023835800000000, 0.0003511100000000, 0.0005609400000000 ] - [ 0.0010658900000000, 0.0030350600000000, 0.0013011200000000 ] - [ -0.0000500800000000, 0.0001048800000000, -0.0002495900000000 ] - [ 0.0005077800000000, -0.0032152700000000, 0.0004226900000000 ] - [ -0.0006158500000000, 0.0000000000000000, -0.0023940600000000 ] - [ 0.0000684500000000, -0.0000457400000000, -0.0000487400000000 ] - [ -0.0028044500000000, -0.0027460000000000, -0.0001522300000000 ] - [ -0.0005590800000000, 0.0000525300000000, -0.0002962900000000 ] - [ 0.0005077800000000, 0.0032152700000000, 0.0004226900000000 ] - [ 0.0002297800000000, 0.0000805600000000, 0.0005639800000000 ] - [ 0.0010658900000000, -0.0030350600000000, 0.0013011200000000 ] - [ 0.0000969100000000, -0.0000625600000000, -0.0001734100000000 ] - [ 0.0002297800000000, -0.0000805600000000, 0.0005639800000000 ] - [ 0.1482784300000000, -0.1066879700000000, -0.0432780500000000 ] - [ -0.0000434000000000, 0.0001584200000000, -0.0001768600000000 ] - [ -0.0009523200000000, -0.0006979800000000, 0.0005294400000000 ] - [ 0.0000896500000000, 0.0000000000000000, -0.0002076500000000 ] - [ -0.0028044500000000, 0.0027460000000000, -0.0001522300000000 ] - [ -0.0000500800000000, -0.0001048800000000, -0.0002495900000000 ] - [ -0.0003964200000000, 0.0020422100000000, 0.0008188500000000 ] - [ -0.0023677700000000, -0.0000164200000000, 0.0004511000000000 ] - [ -0.0003687100000000, 0.0000294900000000, -0.0000114300000000 ] - [ 0.0881860100000000, 0.0000000000000000, 0.0003288300000000 ] - [ 0.1482784400000000, 0.1066879700000000, -0.0432780500000000 ] - [ 0.0011420300000000, 0.0000000000000000, 0.0003167600000000 ] - [ 0.0002999700000000, -0.0002400500000000, 0.0006122600000000 ] - [ 0.0013323400000000, 0.0070883000000000, -0.0041452000000000 ] - [ 0.0004974200000000, 0.0001545200000000, -0.0001564100000000 ] - [ -0.0003964200000000, -0.0020422100000000, 0.0008188500000000 ] - [ 0.0000395800000000, -0.0004912000000000, 0.0008175900000000 ] - [ -0.0011254000000000, 0.0000000000000000, 0.0024206900000000 ] - [ -0.0000587500000000, -0.0002320600000000, 0.0001616900000000 ] - [ -0.0000417100000000, -0.0000032100000000, 0.0008191900000000 ] - [ 0.0003434800000000, -0.0006898100000000, -0.0004668900000000 ] - [ 0.0003595400000000, 0.0007165100000000, -0.0004658700000000 ] - [ -0.0008004300000000, -0.0004776100000000, -0.0022256700000000 ] - [ -0.0002881100000000, -0.0001274000000000, -0.0003919100000000 ] - [ -0.0009215300000000, 0.0000719600000000, -0.0005195900000000 ] - [ 0.0000475400000000, -0.0002453100000000, -0.0003232700000000 ] - [ 0.0003595400000000, -0.0007165100000000, -0.0004658700000000 ] - [ -0.0003575200000000, 0.0015359100000000, 0.0001637100000000 ] - [ 0.0047608300000000, 0.0002632700000000, 0.0016617200000000 ] - [ -0.0003575200000000, -0.0015359100000000, 0.0001637100000000 ] - [ 0.0014985700000000, -0.0035114900000000, 0.0026735200000000 ] - [ 0.0002780700000000, 0.0000000000000000, -0.0000437300000000 ] - [ 0.0023835800000000, -0.0003511100000000, 0.0005609400000000 ] - [ 0.0000470700000000, 0.0004637400000000, -0.0003570200000000 ] - [ -0.0023677700000000, 0.0000164200000000, 0.0004511000000000 ] - [ -0.0040726200000000, -0.0010022600000000, 0.0030391300000000 ] - [ 0.0000395800000000, 0.0004912000000000, 0.0008175900000000 ] - [ 0.0000470700000000, -0.0004637400000000, -0.0003570200000000 ] - [ 0.0000396400000000, -0.0000000500000000, -0.0000168900000000 ] - [ -0.0014591100000000, -0.0032482700000000, 0.0015008900000000 ] - [ 0.0001014000000000, 0.0004767300000000, -0.0004959400000000 ] - [ -0.0083903900000000, 0.0000000000000000, 0.0045276400000000 ] - [ 0.0000836700000000, 0.0000794400000000, -0.0001105000000000 ] - [ 0.0001014000000000, -0.0004767300000000, -0.0004959400000000 ] - [ -0.0001355900000000, 0.0000000000000000, 0.0002785800000000 ] - [ -0.0014246200000000, -0.0036110000000000, -0.0020094000000000 ] - [ 0.0000396400000000, 0.0000000500000000, -0.0000168900000000 ] - [ 0.0000805800000000, -0.0000824800000000, -0.0001776800000000 ] - [ -0.0000967300000000, 0.0000000000000000, -0.0000368700000000 ] - [ 0.0000836700000000, -0.0000794400000000, -0.0001105000000000 ] - [ -0.0000937000000000, 0.0000000000000000, -0.0007069900000000 ] - [ -0.0014246200000000, 0.0036110000000000, -0.0020094000000000 ] - [ 0.0000805800000000, 0.0000824800000000, -0.0001776800000000 ] - [ -0.0067202800000000, 0.0000000000000000, -0.0027298500000000 ] - [ -0.0007347800000000, 0.0000000000000000, 0.0012323800000000 ] - [ -0.0014591100000000, 0.0032482700000000, 0.0015008900000000 ]- atom: 70 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001669800000000, -0.0006930600000000, 0.0006683700000000 ] - [ 0.0003070100000000, 0.0000858400000000, -0.0000336000000000 ] - [ 0.0007692300000000, 0.0027001900000000, 0.0061795000000000 ] - [ -0.0003814800000000, -0.0003116500000000, 0.0004900100000000 ] - [ 0.0012094400000000, 0.0014325000000000, -0.0056973400000000 ] - [ -0.0000358800000000, -0.0000202200000000, -0.0006202500000000 ] - [ 0.0005256200000000, -0.0000044200000000, 0.0000104800000000 ] - [ 0.0012094400000000, -0.0014325000000000, -0.0056973400000000 ] - [ -0.0008596200000000, 0.0020593600000000, 0.0000259700000000 ] - [ -0.0000930200000000, 0.0000759400000000, 0.0005876800000000 ] - [ -0.0003814800000000, 0.0003116500000000, 0.0004900100000000 ] - [ -0.0019955400000000, -0.0010856500000000, 0.0010317300000000 ] - [ -0.0001932600000000, -0.0002368500000000, -0.0003612500000000 ] - [ -0.0080366100000000, 0.0057743900000000, 0.0005719200000000 ] - [ -0.0006393800000000, -0.0010541200000000, -0.0007404200000000 ] - [ 0.0003070100000000, -0.0000858400000000, -0.0000336000000000 ] - [ 0.0005616000000000, 0.0000000000000000, 0.0005951500000000 ] - [ -0.0000439800000000, 0.0003419600000000, -0.0000850200000000 ] - [ 0.0000184100000000, 0.0000780800000000, -0.0000411500000000 ] - [ -0.0001932600000000, 0.0002368500000000, -0.0003612500000000 ] - [ 0.0005256200000000, 0.0000044200000000, 0.0000104800000000 ] - [ 0.0002092300000000, 0.0000498800000000, 0.0000898900000000 ] - [ 0.0001669800000000, 0.0006930600000000, 0.0006683700000000 ] - [ -0.0037414900000000, 0.0000000000000000, -0.0119244600000000 ] - [ -0.0000258700000000, 0.0000000000000000, 0.0002675900000000 ] - [ -0.0001225000000000, -0.0001495900000000, -0.0002843500000000 ] - [ 0.0000204600000000, 0.0001081100000000, -0.0001397700000000 ] - [ -0.0111319700000000, 0.0095735700000000, 0.0003123800000000 ] - [ -0.0006723400000000, -0.0009707200000000, 0.0008030200000000 ] - [ -0.0080366100000000, -0.0057743900000000, 0.0005719200000000 ] - [ -0.0002400200000000, 0.0000000000000000, -0.0002370600000000 ] - [ -0.0004940600000000, 0.0000000000000000, 0.0106939300000000 ] - [ 0.0039018000000000, -0.0045264200000000, -0.0001339300000000 ] - [ 0.0039018000000000, 0.0045264200000000, -0.0001339300000000 ] - [ -0.0006393800000000, 0.0010541200000000, -0.0007404200000000 ] - [ -0.0000468200000000, 0.0000817300000000, 0.0000010000000000 ] - [ -0.0002812200000000, 0.0006268200000000, 0.0001443500000000 ] - [ -0.0019955400000000, 0.0010856500000000, 0.0010317300000000 ] - [ -0.0002812200000000, -0.0006268200000000, 0.0001443500000000 ] - [ -0.0008596200000000, -0.0020593600000000, 0.0000259700000000 ] - [ 0.0002014700000000, 0.0000890800000000, -0.0002631000000000 ] - [ -0.0000439800000000, -0.0003419600000000, -0.0000850200000000 ] - [ 0.0000204600000000, -0.0001081100000000, -0.0001397700000000 ] - [ -0.0000358800000000, 0.0000202200000000, -0.0006202500000000 ] - [ 0.0000184100000000, -0.0000780800000000, -0.0000411500000000 ] - [ -0.0006723400000000, 0.0009707200000000, 0.0008030200000000 ] - [ -0.0001225000000000, 0.0001495900000000, -0.0002843500000000 ] - [ -0.0001224300000000, -0.0000742000000000, 0.0001498300000000 ] - [ -0.0001224300000000, 0.0000742000000000, 0.0001498300000000 ] - [ 0.0001911100000000, 0.0000000000000000, -0.0002496500000000 ] - [ -0.0111319700000000, -0.0095735700000000, 0.0003123800000000 ] - [ -0.0022804900000000, 0.0008302400000000, -0.0008460400000000 ] - [ -0.0000468200000000, -0.0000817300000000, 0.0000010000000000 ] - [ 0.0000774900000000, -0.0007024300000000, -0.0006651600000000 ] - [ 0.0007692300000000, -0.0027001900000000, 0.0061795000000000 ] - [ 0.0002092300000000, -0.0000498800000000, 0.0000898900000000 ] - [ -0.0000930200000000, -0.0000759400000000, 0.0005876800000000 ] - [ -0.0022804900000000, -0.0008302400000000, -0.0008460400000000 ] - [ -0.0000931700000000, -0.0001959400000000, 0.0003318600000000 ] - [ -0.0000931700000000, 0.0001959400000000, 0.0003318600000000 ] - [ 0.0002014700000000, -0.0000890800000000, -0.0002631000000000 ] - [ 0.0000774900000000, 0.0007024300000000, -0.0006651600000000 ] - [ -0.0040196700000000, 0.0000000000000000, 0.0001152400000000 ] - [ 0.0078838700000000, 0.0090905400000000, -0.0019446000000000 ] - [ 0.0002458600000000, 0.0005242300000000, 0.0014622400000000 ] - [ -0.0006576000000000, 0.0003329500000000, 0.0000799200000000 ] - [ -0.0001523300000000, -0.0000005900000000, -0.0004970600000000 ] - [ 0.0002389000000000, 0.0000842000000000, -0.0000867300000000 ] - [ -0.0001523300000000, 0.0000005900000000, -0.0004970600000000 ] - [ 0.7281445700000000, 0.0000000000000000, -0.0066149200000000 ] - [ 0.0013937000000000, 0.0000000000000000, -0.0003343900000000 ] - [ 0.0032812700000000, -0.0045032600000000, 0.0040745300000000 ] - [ -0.0052120900000000, 0.0000000000000000, -0.0088748500000000 ] - [ -0.0004636800000000, 0.0000000000000000, -0.0000132700000000 ] - [ -0.0006576000000000, -0.0003329500000000, 0.0000799200000000 ] - [ 0.0032812700000000, 0.0045032600000000, 0.0040745300000000 ] - [ -0.0080160300000000, 0.0000000000000000, 0.0047750300000000 ] - [ 0.0078838700000000, -0.0090905400000000, -0.0019446000000000 ] - [ 0.0002389000000000, -0.0000842000000000, -0.0000867300000000 ] - [ -0.0004677100000000, 0.0000000000000000, -0.0025717600000000 ] - [ -0.0035520000000000, 0.0036826300000000, -0.0002870500000000 ] - [ -0.0035520000000000, -0.0036826300000000, -0.0002870500000000 ] - [ 0.0002696400000000, 0.0000000000000000, 0.0003409900000000 ] - [ 0.0002458600000000, -0.0005242300000000, 0.0014622400000000 ] - [ 0.0003373700000000, 0.0000050800000000, -0.0001215500000000 ] - [ 0.0003373700000000, -0.0000050800000000, -0.0001215500000000 ] - [ -0.0029877800000000, 0.0000000000000000, 0.0001711200000000 ] - [ -0.0000378400000000, -0.0000720700000000, 0.0001356800000000 ] - [ 0.0001250800000000, -0.0000654000000000, -0.0000443400000000 ] - [ 0.0047663800000000, 0.0000000000000000, 0.0006150500000000 ] - [ 0.0009538700000000, -0.0006923700000000, 0.0005044000000000 ] - [ 0.0001697900000000, 0.0000615200000000, -0.0003681100000000 ] - [ 0.0000869800000000, 0.0002159900000000, -0.0000517000000000 ] - [ 0.0000115300000000, 0.0000000000000000, -0.0000587100000000 ] - [ 0.0001701000000000, 0.0000834100000000, -0.0003337900000000 ] - [ -0.0001179900000000, 0.0000000000000000, -0.0003767700000000 ] - [ 0.0045699000000000, 0.0000000000000000, 0.0051401100000000 ] - [ 0.0035916800000000, -0.0006232200000000, -0.0027107900000000 ] - [ -0.3267316300000000, 0.0000000000000000, -0.0844444200000000 ] - [ -0.0007409800000000, 0.0000233000000000, -0.0004305800000000 ] - [ 0.0001697900000000, -0.0000615200000000, -0.0003681100000000 ] - [ -0.0015326200000000, 0.0014813500000000, 0.0011752700000000 ] - [ 0.0002270100000000, 0.0000865200000000, -0.0003532700000000 ] - [ 0.0005260400000000, 0.0007249300000000, -0.0004840400000000 ] - [ -0.0002563800000000, 0.0000000000000000, 0.0001442600000000 ] - [ 0.0010691300000000, -0.0000383000000000, 0.0020052200000000 ] - [ -0.0041727000000000, 0.0005209900000000, -0.0012897000000000 ] - [ -0.0006201100000000, 0.0003644500000000, 0.0001565400000000 ] - [ -0.0000875600000000, -0.0000751600000000, -0.0001822200000000 ] - [ -0.0000509300000000, 0.0000570500000000, -0.0001826600000000 ] - [ -0.0015282800000000, -0.0034353600000000, -0.0022353000000000 ] - [ 0.0002832600000000, -0.0006177100000000, -0.0004783200000000 ] - [ -0.0015326200000000, -0.0014813500000000, 0.0011752700000000 ] - [ 0.0003711600000000, 0.0000324200000000, -0.0000153800000000 ] - [ -0.0013896500000000, 0.0076977400000000, 0.0044986500000000 ] - [ 0.0000391000000000, -0.0000032400000000, 0.0008102600000000 ] - [ 0.0007012400000000, 0.0000000000000000, 0.0005166000000000 ] - [ -0.0000378400000000, 0.0000720700000000, 0.0001356800000000 ] - [ 0.0040484100000000, 0.0000000000000000, 0.0018280500000000 ] - [ 0.0004269200000000, -0.0004361900000000, -0.0002575000000000 ] - [ -0.0029100900000000, -0.0003421200000000, -0.0008075700000000 ] - [ -0.0008012400000000, -0.0025483200000000, -0.0015451400000000 ] - [ -0.0002063300000000, 0.0000531800000000, -0.0002572900000000 ] - [ -0.0008150400000000, 0.0026822400000000, -0.0000175400000000 ] - [ 0.0007499700000000, 0.0000000000000000, 0.0018787500000000 ] - [ 0.0000869800000000, -0.0002159900000000, -0.0000517000000000 ] - [ 0.0027173700000000, 0.0025772000000000, 0.0004497200000000 ] - [ 0.0002270100000000, -0.0000865200000000, -0.0003532700000000 ] - [ -0.0008150400000000, -0.0026822400000000, -0.0000175400000000 ] - [ -0.0005905600000000, 0.0001962600000000, 0.0000033300000000 ] - [ -0.0008012400000000, 0.0025483200000000, -0.0015451400000000 ] - [ 0.0001701000000000, -0.0000834100000000, -0.0003337900000000 ] - [ -0.0005905600000000, -0.0001962600000000, 0.0000033300000000 ] - [ -0.1498529300000000, 0.1121266100000000, 0.0459298800000000 ] - [ -0.0000875600000000, 0.0000751600000000, -0.0001822200000000 ] - [ 0.0009538700000000, 0.0006923700000000, 0.0005044000000000 ] - [ 0.0001820700000000, 0.0000000000000000, -0.0001501700000000 ] - [ 0.0027173700000000, -0.0025772000000000, 0.0004497200000000 ] - [ -0.0002063300000000, -0.0000531800000000, -0.0002572900000000 ] - [ 0.0005031200000000, -0.0022285300000000, -0.0011506700000000 ] - [ 0.0025467600000000, 0.0000109200000000, -0.0001499400000000 ] - [ 0.0003711600000000, -0.0000324200000000, -0.0000153800000000 ] - [ -0.0881055300000000, 0.0000000000000000, 0.0003340600000000 ] - [ -0.1498529400000000, -0.1121266100000000, 0.0459298800000000 ] - [ -0.0008932700000000, 0.0000000000000000, -0.0003132600000000 ] - [ 0.0001250800000000, 0.0000654000000000, -0.0000443400000000 ] - [ -0.0013896500000000, -0.0076977400000000, 0.0044986500000000 ] - [ -0.0006201100000000, -0.0003644500000000, 0.0001565400000000 ] - [ 0.0005031200000000, 0.0022285300000000, -0.0011506700000000 ] - [ -0.0001017400000000, 0.0003822700000000, -0.0013345800000000 ] - [ 0.0013053200000000, 0.0000000000000000, -0.0026357100000000 ] - [ 0.0002832600000000, 0.0006177100000000, -0.0004783200000000 ] - [ 0.0000391000000000, 0.0000032400000000, 0.0008102600000000 ] - [ 0.0005260400000000, -0.0007249300000000, -0.0004840400000000 ] - [ 0.0004259800000000, 0.0007464800000000, -0.0004839500000000 ] - [ 0.0010691300000000, 0.0000383000000000, 0.0020052200000000 ] - [ 0.0004269200000000, 0.0004361900000000, -0.0002575000000000 ] - [ -0.0007409800000000, -0.0000233000000000, -0.0004305800000000 ] - [ -0.0000509300000000, -0.0000570500000000, -0.0001826600000000 ] - [ 0.0004259800000000, -0.0007464800000000, -0.0004839500000000 ] - [ 0.0002745000000000, -0.0016652700000000, 0.0001422000000000 ] - [ -0.0041727000000000, -0.0005209900000000, -0.0012897000000000 ] - [ 0.0002745000000000, 0.0016652700000000, 0.0001422000000000 ] - [ -0.0015282800000000, 0.0034353600000000, -0.0022353000000000 ] - [ -0.0002796500000000, 0.0000000000000000, -0.0000418800000000 ] - [ -0.0029100900000000, 0.0003421200000000, -0.0008075700000000 ] - [ -0.0001085300000000, -0.0000153200000000, 0.0009241100000000 ] - [ 0.0025467600000000, -0.0000109200000000, -0.0001499400000000 ] - [ 0.0035916800000000, 0.0006232200000000, -0.0027107900000000 ] - [ -0.0001017400000000, -0.0003822700000000, -0.0013345800000000 ] - [ -0.0001085300000000, 0.0000153200000000, 0.0009241100000000 ] - [ 0.0000022500000000, -0.0000784900000000, -0.0000275500000000 ] - [ 0.0013256200000000, 0.0030510800000000, -0.0013324200000000 ] - [ -0.0001058500000000, -0.0004865800000000, 0.0006564300000000 ] - [ 0.0078907200000000, 0.0000000000000000, -0.0041800700000000 ] - [ -0.0000583700000000, -0.0001235200000000, 0.0001699200000000 ] - [ -0.0001058500000000, 0.0004865800000000, 0.0006564300000000 ] - [ 0.0000828600000000, 0.0000000000000000, -0.0002209900000000 ] - [ 0.0016448200000000, 0.0040219800000000, 0.0023401600000000 ] - [ 0.0000022500000000, 0.0000784900000000, -0.0000275500000000 ] - [ -0.0000662100000000, 0.0000991000000000, -0.0005358500000000 ] - [ 0.0000023400000000, 0.0000000000000000, -0.0000046500000000 ] - [ -0.0000583700000000, 0.0001235200000000, 0.0001699200000000 ] - [ 0.0000810600000000, 0.0000000000000000, -0.0000049300000000 ] - [ 0.0016448200000000, -0.0040219800000000, 0.0023401600000000 ] - [ -0.0000662100000000, -0.0000991000000000, -0.0005358500000000 ] - [ 0.0069679400000000, 0.0000000000000000, 0.0028855000000000 ] - [ 0.0007210200000000, 0.0000000000000000, -0.0010651900000000 ] - [ 0.0013256200000000, -0.0030510800000000, -0.0013324200000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000949500000000, -0.0004225500000000, 0.0001896200000000 ] - [ 0.0002508000000000, -0.0004344000000000, 0.0017581600000000 ] - [ -0.0025520600000000, 0.0044202900000000, 0.0042583600000000 ] - [ -0.0001372300000000, -0.0003074300000000, 0.0010302100000000 ] - [ 0.0070047200000000, -0.0121325400000000, 0.0033398200000000 ] - [ 0.0010987200000000, -0.0008498200000000, 0.0010507800000000 ] - [ 0.0001866100000000, 0.0013764200000000, 0.0010507800000000 ] - [ 0.0070047200000000, 0.0121325400000000, 0.0033398200000000 ] - [ -0.0003729700000000, 0.0006460100000000, -0.0019176100000000 ] - [ -0.0012853200000000, -0.0005266100000000, 0.0010507800000000 ] - [ -0.0001372300000000, 0.0003074300000000, 0.0010302100000000 ] - [ -0.0006078100000000, -0.0003973600000000, -0.0014484700000000 ] - [ 0.0000692300000000, -0.0000577500000000, 0.0005672600000000 ] - [ -0.0033986500000000, 0.0008866400000000, -0.0034194600000000 ] - [ 0.0006480300000000, 0.0003277000000000, -0.0014484700000000 ] - [ 0.0002508000000000, 0.0004344000000000, 0.0017581600000000 ] - [ -0.0005016100000000, 0.0000000000000000, 0.0017581600000000 ] - [ 0.0003348600000000, 0.0000348700000000, 0.0010302100000000 ] - [ 0.0000644500000000, 0.0001064300000000, 0.0011876800000000 ] - [ 0.0000692300000000, 0.0000577500000000, 0.0005672600000000 ] - [ 0.0001866100000000, -0.0013764200000000, 0.0010507800000000 ] - [ 0.0000599400000000, 0.0001090300000000, 0.0011876800000000 ] - [ 0.0000949500000000, 0.0004225500000000, 0.0001896200000000 ] - [ 0.0051041100000000, 0.0000000000000000, 0.0042583600000000 ] - [ 0.0000626900000000, 0.0000000000000000, 0.0013461600000000 ] - [ -0.0000846300000000, 0.0000310800000000, 0.0005672600000000 ] - [ -0.0003725000000000, 0.0006451900000000, 0.0013807800000000 ] - [ 0.0024671800000000, -0.0025000000000000, -0.0034194600000000 ] - [ -0.0004134100000000, -0.0001290500000000, 0.0001896200000000 ] - [ -0.0033986500000000, -0.0008866400000000, -0.0034194600000000 ] - [ 0.0004636600000000, 0.0000000000000000, 0.0004744200000000 ] - [ -0.0140094500000000, 0.0000000000000000, 0.0033398200000000 ] - [ 0.0009314700000000, -0.0033866400000000, -0.0034194600000000 ] - [ 0.0009314700000000, 0.0033866400000000, -0.0034194600000000 ] - [ 0.0006480300000000, -0.0003277000000000, -0.0014484700000000 ] - [ -0.0001976200000000, -0.0002725600000000, 0.0010302100000000 ] - [ -0.0002318300000000, 0.0004015400000000, 0.0004744200000000 ] - [ -0.0006078100000000, 0.0003973600000000, -0.0014484700000000 ] - [ -0.0002318300000000, -0.0004015400000000, 0.0004744200000000 ] - [ -0.0003729700000000, -0.0006460100000000, -0.0019176100000000 ] - [ 0.0000154000000000, 0.0000888300000000, 0.0005672600000000 ] - [ 0.0003348600000000, -0.0000348700000000, 0.0010302100000000 ] - [ -0.0003725000000000, -0.0006451900000000, 0.0013807800000000 ] - [ 0.0010987200000000, 0.0008498200000000, 0.0010507800000000 ] - [ 0.0000644500000000, -0.0001064300000000, 0.0011876800000000 ] - [ -0.0004134100000000, 0.0001290500000000, 0.0001896200000000 ] - [ -0.0000846300000000, -0.0000310800000000, 0.0005672600000000 ] - [ -0.0001243900000000, 0.0000026000000000, 0.0011876800000000 ] - [ -0.0001243900000000, -0.0000026000000000, 0.0011876800000000 ] - [ 0.0007450000000000, 0.0000000000000000, 0.0013807800000000 ] - [ 0.0024671800000000, 0.0025000000000000, -0.0034194600000000 ] - [ 0.0003184600000000, -0.0002935000000000, 0.0001896200000000 ] - [ -0.0001976200000000, 0.0002725600000000, 0.0010302100000000 ] - [ -0.0000402100000000, 0.0007250600000000, -0.0014484700000000 ] - [ -0.0025520600000000, -0.0044202900000000, 0.0042583600000000 ] - [ 0.0000599400000000, -0.0001090300000000, 0.0011876800000000 ] - [ -0.0012853200000000, 0.0005266100000000, 0.0010507800000000 ] - [ 0.0003184600000000, 0.0002935000000000, 0.0001896200000000 ] - [ -0.0000313400000000, -0.0000542900000000, 0.0013461600000000 ] - [ -0.0000313400000000, 0.0000542900000000, 0.0013461600000000 ] - [ 0.0000154000000000, -0.0000888300000000, 0.0005672600000000 ] - [ -0.0000402100000000, -0.0007250600000000, -0.0014484700000000 ] - [ 0.0007459400000000, 0.0000000000000000, -0.0019176100000000 ] - [ 0.0021338000000000, -0.0036958500000000, 0.0023311700000000 ] - [ -0.0003096500000000, 0.0005363300000000, 0.0029250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021708600000000 ] - [ 0.0005289900000000, 0.0009162400000000, 0.0030193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021708600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.6700050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100444800000000 ] - [ -0.0038021200000000, -0.0065854700000000, -0.0085438300000000 ] - [ 0.0076042400000000, 0.0000000000000000, -0.0085438300000000 ] - [ -0.0010579800000000, 0.0000000000000000, 0.0030193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000538100000000 ] - [ -0.0038021200000000, 0.0065854700000000, -0.0085438300000000 ] - [ -0.0042676000000000, 0.0000000000000000, 0.0023311700000000 ] - [ 0.0021338000000000, 0.0036958500000000, 0.0023311700000000 ] - [ 0.0005289900000000, -0.0009162400000000, 0.0030193900000000 ] - [ 0.0006193000000000, 0.0000000000000000, 0.0029250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050504500000000 ] - [ -0.0003096500000000, -0.0005363300000000, 0.0029250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037129100000000 ] - [ -0.0002331200000000, 0.0004037700000000, -0.0014683600000000 ] - [ 0.0004782400000000, 0.0001125400000000, -0.0007192800000000 ] - [ 0.0020291000000000, 0.0000000000000000, 0.0006811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027513200000000 ] - [ 0.0000840400000000, -0.0000499700000000, -0.0005407500000000 ] - [ 0.0000890500000000, 0.0001542500000000, -0.0009249500000000 ] - [ -0.0001781100000000, 0.0000000000000000, -0.0009249500000000 ] - [ 0.0007040800000000, 0.0003461900000000, -0.0014307400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037098900000000 ] - [ -0.0006009000000000, 0.0000000000000000, 0.0062237000000000 ] - [ 0.0021479500000000, 0.0000152400000000, -0.0008872200000000 ] - [ 0.0891226000000000, 0.0000000000000000, 0.1170137700000000 ] - [ -0.0011411700000000, -0.0000306900000000, -0.0014298400000000 ] - [ 0.0000840400000000, 0.0000499700000000, -0.0005407500000000 ] - [ -0.0004136500000000, -0.0007164600000000, -0.0015808100000000 ] - [ 0.0000012500000000, 0.0000977700000000, -0.0005407500000000 ] - [ 0.0005971600000000, 0.0009729400000000, -0.0014298400000000 ] - [ 0.0004662300000000, 0.0000000000000000, -0.0014683600000000 ] - [ -0.0043187400000000, -0.0003468100000000, 0.0015909600000000 ] - [ -0.0010607800000000, -0.0018678000000000, -0.0008872200000000 ] - [ -0.0001498500000000, 0.0002595400000000, -0.0042649900000000 ] - [ -0.0001304900000000, -0.0002260200000000, -0.0022228400000000 ] - [ -0.0000522300000000, 0.0007828400000000, -0.0014307400000000 ] - [ 0.0003004500000000, -0.0005203900000000, 0.0062237000000000 ] - [ 0.0004010900000000, -0.0006947100000000, -0.0011977400000000 ] - [ -0.0004136500000000, 0.0007164600000000, -0.0015808100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003287500000000 ] - [ -0.0010871700000000, -0.0018525600000000, -0.0008872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009821100000000 ] - [ -0.0008021800000000, 0.0000000000000000, -0.0011977400000000 ] - [ -0.0002331200000000, -0.0004037700000000, -0.0014683600000000 ] - [ -0.0022925500000000, 0.0000000000000000, 0.0013719500000000 ] - [ -0.0000853000000000, -0.0000478000000000, -0.0005407500000000 ] - [ 0.0024597200000000, -0.0035667300000000, 0.0015909600000000 ] - [ 0.0018590200000000, -0.0039135500000000, 0.0015909600000000 ] - [ -0.0006518500000000, 0.0004366500000000, -0.0014307400000000 ] - [ -0.0010145500000000, -0.0017572500000000, 0.0006811900000000 ] - [ -0.0003726300000000, 0.0000000000000000, -0.0020497900000000 ] - [ 0.0000890500000000, -0.0001542500000000, -0.0009249500000000 ] - [ -0.0000222900000000, 0.0002561100000000, 0.0017172300000000 ] - [ 0.0000012500000000, -0.0000977700000000, -0.0005407500000000 ] - [ -0.0010145500000000, 0.0017572500000000, 0.0006811900000000 ] - [ -0.0003365800000000, 0.0003579000000000, -0.0007192800000000 ] - [ 0.0018590200000000, 0.0039135500000000, 0.0015909600000000 ] - [ 0.0007040800000000, -0.0003461900000000, -0.0014307400000000 ] - [ -0.0003365800000000, -0.0003579000000000, -0.0007192800000000 ] - [ -0.0445613000000000, 0.0771824400000000, 0.1170137700000000 ] - [ -0.0001304900000000, 0.0002260200000000, -0.0022228400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027513200000000 ] - [ 0.0002609800000000, 0.0000000000000000, -0.0022228400000000 ] - [ -0.0000222900000000, -0.0002561100000000, 0.0017172300000000 ] - [ -0.0006518500000000, -0.0004366500000000, -0.0014307400000000 ] - [ 0.0011462800000000, -0.0019854100000000, 0.0013719500000000 ] - [ -0.0002106500000000, -0.0001473600000000, 0.0017172300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003287500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3127139000000000 ] - [ -0.0445613000000000, -0.0771824400000000, 0.1170137700000000 ] - [ 0.0002997000000000, 0.0000000000000000, -0.0042649900000000 ] - [ 0.0004782400000000, -0.0001125400000000, -0.0007192800000000 ] - [ -0.0010871700000000, 0.0018525600000000, -0.0008872200000000 ] - [ -0.0001498500000000, -0.0002595400000000, -0.0042649900000000 ] - [ 0.0011462800000000, 0.0019854100000000, 0.0013719500000000 ] - [ 0.0001863100000000, 0.0003227100000000, -0.0020497900000000 ] - [ 0.0008273000000000, 0.0000000000000000, -0.0015808100000000 ] - [ 0.0004010900000000, 0.0006947100000000, -0.0011977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009821100000000 ] - [ 0.0005971600000000, -0.0009729400000000, -0.0014298400000000 ] - [ 0.0005440100000000, 0.0010036300000000, -0.0014298400000000 ] - [ -0.0043187400000000, 0.0003468100000000, 0.0015909600000000 ] - [ -0.0000853000000000, 0.0000478000000000, -0.0005407500000000 ] - [ -0.0011411700000000, 0.0000306900000000, -0.0014298400000000 ] - [ -0.0000522300000000, -0.0007828400000000, -0.0014307400000000 ] - [ 0.0005440100000000, -0.0010036300000000, -0.0014298400000000 ] - [ 0.0002329400000000, 0.0001087500000000, 0.0017172300000000 ] - [ -0.0010607800000000, 0.0018678000000000, -0.0008872200000000 ] - [ 0.0002329400000000, -0.0001087500000000, 0.0017172300000000 ] - [ 0.0003004500000000, 0.0005203900000000, 0.0062237000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052584100000000 ] - [ 0.0024597200000000, 0.0035667300000000, 0.0015909600000000 ] - [ -0.0001416600000000, 0.0004704400000000, -0.0007192800000000 ] - [ -0.0002106500000000, 0.0001473600000000, 0.0017172300000000 ] - [ 0.0021479500000000, -0.0000152400000000, -0.0008872200000000 ] - [ 0.0001863100000000, -0.0003227100000000, -0.0020497900000000 ] - [ -0.0001416600000000, -0.0004704400000000, -0.0007192800000000 ] - [ 0.0000503700000000, -0.0000872400000000, -0.0010229700000000 ] - [ 0.0008876900000000, 0.0015375200000000, 0.0004139500000000 ] - [ -0.0006430100000000, 0.0011137200000000, -0.0000997000000000 ] - [ -0.0006720500000000, 0.0000000000000000, 0.0045977700000000 ] - [ -0.0000470800000000, 0.0000815400000000, -0.0010122100000000 ] - [ -0.0006430100000000, -0.0011137200000000, -0.0000997000000000 ] - [ 0.0000941600000000, 0.0000000000000000, -0.0010122100000000 ] - [ 0.0003360300000000, 0.0005820200000000, 0.0045977700000000 ] - [ 0.0000503700000000, 0.0000872400000000, -0.0010229700000000 ] - [ 0.0003519300000000, 0.0006095600000000, -0.0013059500000000 ] - [ -0.0001007300000000, 0.0000000000000000, -0.0010229700000000 ] - [ -0.0000470800000000, -0.0000815400000000, -0.0010122100000000 ] - [ -0.0007038600000000, 0.0000000000000000, -0.0013059500000000 ] - [ 0.0003360300000000, -0.0005820200000000, 0.0045977700000000 ] - [ 0.0003519300000000, -0.0006095600000000, -0.0013059500000000 ] - [ -0.0017753800000000, 0.0000000000000000, 0.0004139500000000 ] - [ 0.0012860200000000, 0.0000000000000000, -0.0000997000000000 ] - [ 0.0008876900000000, -0.0015375200000000, 0.0004139500000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000451500000000, 0.0008457400000000, 0.0002368600000000 ] - [ -0.0003681800000000, 0.0006377000000000, -0.0014119500000000 ] - [ 0.0024579000000000, -0.0042572100000000, -0.0039375400000000 ] - [ 0.0001596900000000, 0.0000206800000000, -0.0007854300000000 ] - [ -0.0073185600000000, 0.0126761100000000, -0.0038383000000000 ] - [ -0.0013204000000000, 0.0004576900000000, -0.0010555500000000 ] - [ 0.0002638300000000, -0.0013723500000000, -0.0010555500000000 ] - [ -0.0073185600000000, -0.0126761100000000, -0.0038383000000000 ] - [ 0.0002387400000000, -0.0004135000000000, 0.0020330000000000 ] - [ 0.0010565800000000, 0.0009146600000000, -0.0010555500000000 ] - [ 0.0001596900000000, -0.0000206800000000, -0.0007854300000000 ] - [ 0.0004755600000000, -0.0000368800000000, 0.0011973400000000 ] - [ -0.0002570700000000, -0.0003631700000000, -0.0011539500000000 ] - [ 0.0034157600000000, -0.0010507700000000, 0.0038941700000000 ] - [ -0.0002058500000000, -0.0004302900000000, 0.0011973400000000 ] - [ -0.0003681800000000, -0.0006377000000000, -0.0014119500000000 ] - [ 0.0007363500000000, 0.0000000000000000, -0.0014119500000000 ] - [ -0.0000977600000000, 0.0001279600000000, -0.0007854300000000 ] - [ -0.0000953700000000, 0.0001911500000000, -0.0010763500000000 ] - [ -0.0002570700000000, 0.0003631700000000, -0.0011539500000000 ] - [ 0.0002638300000000, 0.0013723500000000, -0.0010555500000000 ] - [ 0.0002132300000000, 0.0000129900000000, -0.0010763500000000 ] - [ -0.0000451500000000, -0.0008457400000000, 0.0002368600000000 ] - [ -0.0049158000000000, 0.0000000000000000, -0.0039375400000000 ] - [ 0.0002135300000000, 0.0000000000000000, -0.0007459800000000 ] - [ -0.0001859800000000, -0.0004042100000000, -0.0011539500000000 ] - [ 0.0002604400000000, -0.0004510900000000, -0.0017143800000000 ] - [ -0.0026178800000000, 0.0024327400000000, 0.0038941700000000 ] - [ 0.0007550100000000, 0.0003837600000000, 0.0002368600000000 ] - [ 0.0034157600000000, 0.0010507700000000, 0.0038941700000000 ] - [ 0.0002868000000000, 0.0000000000000000, -0.0004288100000000 ] - [ 0.0146371200000000, 0.0000000000000000, -0.0038383000000000 ] - [ -0.0007978800000000, 0.0034835200000000, 0.0038941700000000 ] - [ -0.0007978800000000, -0.0034835200000000, 0.0038941700000000 ] - [ -0.0002058500000000, 0.0004302900000000, 0.0011973400000000 ] - [ -0.0000619300000000, 0.0001486400000000, -0.0007854300000000 ] - [ -0.0001434000000000, 0.0002483700000000, -0.0004288100000000 ] - [ 0.0004755600000000, 0.0000368800000000, 0.0011973400000000 ] - [ -0.0001434000000000, -0.0002483700000000, -0.0004288100000000 ] - [ 0.0002387400000000, 0.0004135000000000, 0.0020330000000000 ] - [ 0.0004430500000000, -0.0000410400000000, -0.0011539500000000 ] - [ -0.0000977600000000, -0.0001279600000000, -0.0007854300000000 ] - [ 0.0002604400000000, 0.0004510900000000, -0.0017143800000000 ] - [ -0.0013204000000000, -0.0004576900000000, -0.0010555500000000 ] - [ -0.0000953700000000, -0.0001911500000000, -0.0010763500000000 ] - [ 0.0007550100000000, -0.0003837600000000, 0.0002368600000000 ] - [ -0.0001859800000000, 0.0004042100000000, -0.0011539500000000 ] - [ -0.0001178600000000, -0.0001781700000000, -0.0010763500000000 ] - [ -0.0001178600000000, 0.0001781700000000, -0.0010763500000000 ] - [ -0.0005208800000000, 0.0000000000000000, -0.0017143800000000 ] - [ -0.0026178800000000, -0.0024327400000000, 0.0038941700000000 ] - [ -0.0007098500000000, 0.0004619700000000, 0.0002368600000000 ] - [ -0.0000619300000000, -0.0001486400000000, -0.0007854300000000 ] - [ -0.0002697200000000, -0.0003934100000000, 0.0011973400000000 ] - [ 0.0024579000000000, 0.0042572100000000, -0.0039375400000000 ] - [ 0.0002132300000000, -0.0000129900000000, -0.0010763500000000 ] - [ 0.0010565800000000, -0.0009146600000000, -0.0010555500000000 ] - [ -0.0007098500000000, -0.0004619700000000, 0.0002368600000000 ] - [ -0.0001067700000000, -0.0001849200000000, -0.0007459800000000 ] - [ -0.0001067700000000, 0.0001849200000000, -0.0007459800000000 ] - [ 0.0004430500000000, 0.0000410400000000, -0.0011539500000000 ] - [ -0.0002697200000000, 0.0003934100000000, 0.0011973400000000 ] - [ -0.0004774700000000, 0.0000000000000000, 0.0020330000000000 ] - [ -0.0020685600000000, 0.0035828600000000, -0.0017442800000000 ] - [ 0.0002388500000000, -0.0004137000000000, -0.0026856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031609100000000 ] - [ -0.0002472600000000, -0.0004282700000000, -0.0031125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031609100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.6977587500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106986200000000 ] - [ 0.0040312500000000, 0.0069823400000000, 0.0081067600000000 ] - [ -0.0080625100000000, 0.0000000000000000, 0.0081067600000000 ] - [ 0.0004945300000000, 0.0000000000000000, -0.0031125200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002268100000000 ] - [ 0.0040312500000000, -0.0069823400000000, 0.0081067600000000 ] - [ 0.0041371300000000, 0.0000000000000000, -0.0017442800000000 ] - [ -0.0020685600000000, -0.0035828600000000, -0.0017442800000000 ] - [ -0.0002472600000000, 0.0004282700000000, -0.0031125200000000 ] - [ -0.0004777000000000, 0.0000000000000000, -0.0026856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043300600000000 ] - [ 0.0002388500000000, 0.0004137000000000, -0.0026856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039896400000000 ] - [ 0.0003487900000000, -0.0006041200000000, 0.0017242100000000 ] - [ -0.0000479600000000, 0.0000666000000000, 0.0012774500000000 ] - [ -0.0013758700000000, 0.0000000000000000, -0.0002582600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016917700000000 ] - [ 0.0001107000000000, 0.0003181100000000, -0.0001115600000000 ] - [ 0.0000625000000000, 0.0001082600000000, 0.0008222900000000 ] - [ -0.0001250100000000, 0.0000000000000000, 0.0008222900000000 ] - [ -0.0004389000000000, -0.0001995500000000, 0.0009211400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028869800000000 ] - [ 0.0006678400000000, 0.0000000000000000, -0.0057843800000000 ] - [ -0.0026344700000000, 0.0003712600000000, 0.0012560400000000 ] - [ -0.0863868200000000, 0.0000000000000000, -0.1168201400000000 ] - [ -0.0005225000000000, -0.0000178400000000, 0.0004717300000000 ] - [ 0.0001107000000000, -0.0003181100000000, -0.0001115600000000 ] - [ 0.0003208800000000, 0.0005557700000000, 0.0013805400000000 ] - [ -0.0003308400000000, -0.0000631900000000, -0.0001115600000000 ] - [ 0.0002767000000000, 0.0004435800000000, 0.0004717300000000 ] - [ -0.0006975800000000, 0.0000000000000000, 0.0017242100000000 ] - [ 0.0046005800000000, 0.0008070000000000, -0.0018444900000000 ] - [ 0.0016387600000000, 0.0020958900000000, 0.0012560400000000 ] - [ 0.0000293100000000, -0.0000507600000000, 0.0042676400000000 ] - [ -0.0000040100000000, -0.0000069400000000, 0.0018463500000000 ] - [ 0.0000466400000000, -0.0004798800000000, 0.0009211400000000 ] - [ -0.0003339200000000, 0.0005783700000000, -0.0057843800000000 ] - [ -0.0001705300000000, 0.0002953700000000, 0.0008713300000000 ] - [ 0.0003208800000000, -0.0005557700000000, 0.0013805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003708100000000 ] - [ 0.0009957100000000, 0.0024671500000000, 0.0012560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026144700000000 ] - [ 0.0003410600000000, 0.0000000000000000, 0.0008713300000000 ] - [ 0.0003487900000000, 0.0006041200000000, 0.0017242100000000 ] - [ 0.0020793500000000, 0.0000000000000000, -0.0017071500000000 ] - [ 0.0002201400000000, -0.0002549300000000, -0.0001115600000000 ] - [ -0.0029991800000000, 0.0035807200000000, -0.0018444900000000 ] - [ -0.0016014100000000, 0.0043877200000000, -0.0018444900000000 ] - [ 0.0003922600000000, -0.0002803300000000, 0.0009211400000000 ] - [ 0.0006879400000000, 0.0011915400000000, -0.0002582600000000 ] - [ 0.0004933100000000, 0.0000000000000000, 0.0015416200000000 ] - [ 0.0000625000000000, -0.0001082600000000, 0.0008222900000000 ] - [ -0.0000566700000000, -0.0004043600000000, -0.0014020900000000 ] - [ -0.0003308400000000, 0.0000631900000000, -0.0001115600000000 ] - [ 0.0006879400000000, -0.0011915400000000, -0.0002582600000000 ] - [ -0.0000337000000000, -0.0000748400000000, 0.0012774500000000 ] - [ -0.0016014100000000, -0.0043877200000000, -0.0018444900000000 ] - [ -0.0004389000000000, 0.0001995500000000, 0.0009211400000000 ] - [ -0.0000337000000000, 0.0000748400000000, 0.0012774500000000 ] - [ 0.0431934100000000, -0.0748131800000000, -0.1168201400000000 ] - [ -0.0000040100000000, 0.0000069400000000, 0.0018463500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016917700000000 ] - [ 0.0000080100000000, 0.0000000000000000, 0.0018463500000000 ] - [ -0.0000566700000000, 0.0004043600000000, -0.0014020900000000 ] - [ 0.0003922600000000, 0.0002803300000000, 0.0009211400000000 ] - [ -0.0010396800000000, 0.0018007700000000, -0.0017071500000000 ] - [ 0.0003785200000000, 0.0001531100000000, -0.0014020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003708100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3385009000000000 ] - [ 0.0431934100000000, 0.0748131800000000, -0.1168201400000000 ] - [ -0.0000586100000000, 0.0000000000000000, 0.0042676400000000 ] - [ -0.0000479600000000, -0.0000666000000000, 0.0012774500000000 ] - [ 0.0009957100000000, -0.0024671500000000, 0.0012560400000000 ] - [ 0.0000293100000000, 0.0000507600000000, 0.0042676400000000 ] - [ -0.0010396800000000, -0.0018007700000000, -0.0017071500000000 ] - [ -0.0002466500000000, -0.0004272200000000, 0.0015416200000000 ] - [ -0.0006417500000000, 0.0000000000000000, 0.0013805400000000 ] - [ -0.0001705300000000, -0.0002953700000000, 0.0008713300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026144700000000 ] - [ 0.0002767000000000, -0.0004435800000000, 0.0004717300000000 ] - [ 0.0002458000000000, 0.0004614200000000, 0.0004717300000000 ] - [ 0.0046005800000000, -0.0008070000000000, -0.0018444900000000 ] - [ 0.0002201400000000, 0.0002549300000000, -0.0001115600000000 ] - [ -0.0005225000000000, 0.0000178400000000, 0.0004717300000000 ] - [ 0.0000466400000000, 0.0004798800000000, 0.0009211400000000 ] - [ 0.0002458000000000, -0.0004614200000000, 0.0004717300000000 ] - [ -0.0003218600000000, -0.0002512600000000, -0.0014020900000000 ] - [ 0.0016387600000000, -0.0020958900000000, 0.0012560400000000 ] - [ -0.0003218600000000, 0.0002512600000000, -0.0014020900000000 ] - [ -0.0003339200000000, -0.0005783700000000, -0.0057843800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051606800000000 ] - [ -0.0029991800000000, -0.0035807200000000, -0.0018444900000000 ] - [ 0.0000816600000000, -0.0000082400000000, 0.0012774500000000 ] - [ 0.0003785200000000, -0.0001531100000000, -0.0014020900000000 ] - [ -0.0026344700000000, -0.0003712600000000, 0.0012560400000000 ] - [ -0.0002466500000000, 0.0004272200000000, 0.0015416200000000 ] - [ 0.0000816600000000, 0.0000082400000000, 0.0012774500000000 ] - [ -0.0000056800000000, 0.0000098400000000, 0.0009734000000000 ] - [ -0.0010039000000000, -0.0017388100000000, -0.0002220300000000 ] - [ 0.0006481200000000, -0.0011225800000000, 0.0002545500000000 ] - [ 0.0002300900000000, 0.0000000000000000, -0.0042760300000000 ] - [ 0.0000714700000000, -0.0001237900000000, 0.0010686200000000 ] - [ 0.0006481200000000, 0.0011225800000000, 0.0002545500000000 ] - [ -0.0001429500000000, 0.0000000000000000, 0.0010686200000000 ] - [ -0.0001150400000000, -0.0001992600000000, -0.0042760300000000 ] - [ -0.0000056800000000, -0.0000098400000000, 0.0009734000000000 ] - [ -0.0003432000000000, -0.0005944400000000, 0.0005878000000000 ] - [ 0.0000113600000000, 0.0000000000000000, 0.0009734000000000 ] - [ 0.0000714700000000, 0.0001237900000000, 0.0010686200000000 ] - [ 0.0006864000000000, 0.0000000000000000, 0.0005878000000000 ] - [ -0.0001150400000000, 0.0001992600000000, -0.0042760300000000 ] - [ -0.0003432000000000, 0.0005944400000000, 0.0005878000000000 ] - [ 0.0020078100000000, 0.0000000000000000, -0.0002220300000000 ] - [ -0.0012962400000000, 0.0000000000000000, 0.0002545500000000 ] - [ -0.0010039000000000, 0.0017388100000000, -0.0002220300000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000038300000000, 0.0002577200000000, 0.0002178400000000 ] - [ -0.0001592700000000, 0.0000760000000000, 0.0001457600000000 ] - [ -0.0001293900000000, 0.0000485900000000, 0.0001032600000000 ] - [ 0.0001257600000000, -0.0001509600000000, 0.0001153200000000 ] - [ -0.0014365000000000, -0.0025639900000000, -0.0065331000000000 ] - [ 0.0082207300000000, -0.0058725900000000, 0.0000516700000000 ] - [ -0.0042941500000000, 0.0040479800000000, 0.0006691200000000 ] - [ -0.0014365000000000, 0.0025639900000000, -0.0065331000000000 ] - [ 0.0001188500000000, -0.0003276300000000, 0.0000703000000000 ] - [ 0.0103030000000000, 0.0105647300000000, -0.0007210700000000 ] - [ 0.0001257600000000, 0.0001509600000000, 0.0001153200000000 ] - [ 0.0021926300000000, 0.0006553800000000, 0.0010445200000000 ] - [ 0.0018071900000000, 0.0000021400000000, 0.0004018700000000 ] - [ -0.0000541000000000, -0.0003911000000000, -0.0004902500000000 ] - [ 0.0011374300000000, 0.0011013600000000, -0.0007715500000000 ] - [ -0.0001592700000000, -0.0000760000000000, 0.0001457600000000 ] - [ 0.0000685200000000, 0.0000000000000000, 0.0002021400000000 ] - [ 0.0001394200000000, -0.0000212500000000, 0.0000890000000000 ] - [ -0.0003320700000000, 0.0006531000000000, -0.0006974600000000 ] - [ 0.0018071900000000, -0.0000021400000000, 0.0004018700000000 ] - [ -0.0042941500000000, -0.0040479800000000, 0.0006691200000000 ] - [ -0.0003051300000000, 0.0001236000000000, 0.0002679800000000 ] - [ 0.0000038300000000, -0.0002577200000000, 0.0002178400000000 ] - [ -0.0000210400000000, 0.0000000000000000, 0.0002353800000000 ] - [ 0.0009703900000000, 0.0000000000000000, 0.0000193300000000 ] - [ -0.0005020500000000, -0.0005743100000000, -0.0004185600000000 ] - [ -0.0033202600000000, -0.0029527400000000, -0.0042553500000000 ] - [ -0.0000220300000000, -0.0002602500000000, 0.0011325800000000 ] - [ 0.0002202600000000, 0.0002018600000000, 0.0001819100000000 ] - [ -0.0000541000000000, 0.0003911000000000, -0.0004902500000000 ] - [ 0.0043206200000000, 0.0000000000000000, -0.0001110700000000 ] - [ 0.0037834700000000, 0.0000000000000000, 0.0124571900000000 ] - [ -0.0004113600000000, 0.0001205700000000, 0.0001092600000000 ] - [ -0.0004113600000000, -0.0001205700000000, 0.0001092600000000 ] - [ 0.0011374300000000, -0.0011013600000000, -0.0007715500000000 ] - [ -0.0001430800000000, -0.0000854700000000, 0.0001426000000000 ] - [ 0.0004091500000000, -0.0016106800000000, 0.0000901100000000 ] - [ 0.0021926300000000, -0.0006553800000000, 0.0010445200000000 ] - [ 0.0004091500000000, 0.0016106800000000, 0.0000901100000000 ] - [ 0.0001188500000000, 0.0003276300000000, 0.0000703000000000 ] - [ 0.0008503300000000, -0.0016407100000000, -0.0008589700000000 ] - [ 0.0001394200000000, 0.0000212500000000, 0.0000890000000000 ] - [ -0.0033202600000000, 0.0029527400000000, -0.0042553500000000 ] - [ 0.0082207300000000, 0.0058725900000000, 0.0000516700000000 ] - [ -0.0003320700000000, -0.0006531000000000, -0.0006974600000000 ] - [ 0.0002202600000000, -0.0002018600000000, 0.0001819100000000 ] - [ -0.0005020500000000, 0.0005743100000000, -0.0004185600000000 ] - [ -0.0000039000000000, 0.0000239600000000, 0.0005843300000000 ] - [ -0.0000039000000000, -0.0000239600000000, 0.0005843300000000 ] - [ 0.0021118300000000, 0.0000000000000000, 0.0079671700000000 ] - [ -0.0000220300000000, 0.0002602500000000, 0.0011325800000000 ] - [ -0.0000833400000000, 0.0000446300000000, 0.0002556400000000 ] - [ -0.0001430800000000, 0.0000854700000000, 0.0001426000000000 ] - [ -0.0003205700000000, 0.0011851900000000, -0.0006613600000000 ] - [ -0.0001293900000000, -0.0000485900000000, 0.0001032600000000 ] - [ -0.0003051300000000, -0.0001236000000000, 0.0002679800000000 ] - [ 0.0103030000000000, -0.0105647300000000, -0.0007210700000000 ] - [ -0.0000833400000000, -0.0000446300000000, 0.0002556400000000 ] - [ 0.0000829200000000, 0.0002734200000000, 0.0004308100000000 ] - [ 0.0000829200000000, -0.0002734200000000, 0.0004308100000000 ] - [ 0.0008503300000000, 0.0016407100000000, -0.0008589700000000 ] - [ -0.0003205700000000, -0.0011851900000000, -0.0006613600000000 ] - [ 0.0010819400000000, 0.0000000000000000, 0.0000672600000000 ] - [ -0.0000984000000000, -0.0002715500000000, 0.0004399100000000 ] - [ -0.0000948800000000, -0.0000492000000000, 0.0002828700000000 ] - [ 0.0043712000000000, -0.0000393000000000, 0.0000872600000000 ] - [ 0.0006551500000000, -0.0003173700000000, -0.0004965600000000 ] - [ 0.0001769700000000, 0.0049846500000000, 0.0028939000000000 ] - [ 0.0006551500000000, 0.0003173700000000, -0.0004965600000000 ] - [ -0.0013941700000000, 0.0000000000000000, 0.0004331400000000 ] - [ -0.7410696000000000, 0.0000000000000000, -0.0076518100000000 ] - [ -0.0080636700000000, 0.0096415200000000, 0.0020971900000000 ] - [ 0.0079461100000000, 0.0000000000000000, -0.0048947200000000 ] - [ 0.0079761500000000, 0.0000000000000000, -0.0059554300000000 ] - [ 0.0043712000000000, 0.0000393000000000, 0.0000872600000000 ] - [ -0.0080636700000000, -0.0096415200000000, 0.0020971900000000 ] - [ 0.0002149900000000, 0.0000000000000000, 0.0000005200000000 ] - [ -0.0000984000000000, 0.0002715500000000, 0.0004399100000000 ] - [ 0.0001769700000000, -0.0049846500000000, 0.0028939000000000 ] - [ 0.0001895900000000, 0.0000000000000000, -0.0002201000000000 ] - [ 0.0009673800000000, -0.0004461600000000, -0.0002991600000000 ] - [ 0.0009673800000000, 0.0004461600000000, -0.0002991600000000 ] - [ -0.0012719100000000, 0.0000000000000000, 0.0003545100000000 ] - [ -0.0000948800000000, 0.0000492000000000, 0.0002828700000000 ] - [ -0.0000384900000000, 0.0000158600000000, -0.0001198200000000 ] - [ -0.0000384900000000, -0.0000158600000000, -0.0001198200000000 ] - [ 0.0000779400000000, 0.0000000000000000, 0.0001640400000000 ] - [ 0.0007279000000000, -0.0002497500000000, 0.0002306300000000 ] - [ 0.0002411900000000, 0.0001529400000000, 0.0001678900000000 ] - [ 0.0001185300000000, 0.0000000000000000, 0.0002873700000000 ] - [ -0.0001789600000000, 0.0001105600000000, 0.0005362500000000 ] - [ -0.0007153500000000, -0.0004635600000000, -0.0001508100000000 ] - [ -0.0004660900000000, -0.0018380800000000, -0.0000418900000000 ] - [ -0.0041079600000000, 0.0000000000000000, -0.0000528700000000 ] - [ -0.0035304700000000, -0.0002395000000000, 0.0040508800000000 ] - [ 0.0002361500000000, 0.0000000000000000, -0.0004158000000000 ] - [ -0.0011918800000000, 0.0000000000000000, 0.0027146700000000 ] - [ -0.0003187600000000, 0.0002317000000000, 0.0003610200000000 ] - [ 0.0019532400000000, 0.0000000000000000, 0.0005767500000000 ] - [ -0.0011943700000000, -0.0002938800000000, -0.0004764500000000 ] - [ -0.0007153500000000, 0.0004635600000000, -0.0001508100000000 ] - [ -0.0000124600000000, -0.0001374300000000, -0.0001656500000000 ] - [ -0.0028805400000000, -0.0011617600000000, -0.0006908600000000 ] - [ 0.0001040200000000, 0.0007606400000000, -0.0005279900000000 ] - [ 0.0007946400000000, 0.0000000000000000, -0.0000819100000000 ] - [ -0.0037372900000000, -0.0005788500000000, 0.0028147600000000 ] - [ 0.0003857000000000, 0.0000877800000000, 0.0001475100000000 ] - [ 0.1474521100000000, -0.1048739300000000, -0.0428579700000000 ] - [ 0.0000053800000000, -0.0008961300000000, -0.0019131500000000 ] - [ -0.0001151500000000, 0.0029972500000000, -0.0028090800000000 ] - [ 0.0015393900000000, 0.0016492700000000, -0.0010134100000000 ] - [ 0.0001069900000000, -0.0001323700000000, -0.0002397300000000 ] - [ -0.0000124600000000, 0.0001374300000000, -0.0001656500000000 ] - [ -0.0010554300000000, 0.0000405100000000, -0.0000178600000000 ] - [ 0.0000389100000000, 0.0001641400000000, 0.0000555000000000 ] - [ -0.0004312800000000, -0.0002737000000000, 0.0008220200000000 ] - [ -0.0003494600000000, 0.0000000000000000, -0.0000245200000000 ] - [ 0.0007279000000000, 0.0002497500000000, 0.0002306300000000 ] - [ -0.0047205700000000, 0.0000000000000000, -0.0004937200000000 ] - [ -0.0021937500000000, 0.0005976500000000, -0.0001386800000000 ] - [ 0.0044273000000000, 0.0003794300000000, 0.0014408300000000 ] - [ 0.0015667000000000, 0.0078645400000000, -0.0046356500000000 ] - [ 0.0001895600000000, 0.0015759000000000, -0.0019763300000000 ] - [ -0.0001721400000000, -0.0003769000000000, 0.0001755500000000 ] - [ 0.0000253100000000, 0.0000000000000000, -0.0001175900000000 ] - [ -0.0004660900000000, 0.0018380800000000, -0.0000418900000000 ] - [ -0.0006787700000000, -0.0004444100000000, -0.0000913900000000 ] - [ -0.0028805400000000, 0.0011617600000000, -0.0006908600000000 ] - [ -0.0001721400000000, 0.0003769000000000, 0.0001755500000000 ] - [ -0.0001247800000000, 0.0001269500000000, 0.0002030100000000 ] - [ 0.0015667000000000, -0.0078645400000000, -0.0046356500000000 ] - [ -0.0035304700000000, 0.0002395000000000, 0.0040508800000000 ] - [ -0.0001247800000000, -0.0001269500000000, 0.0002030100000000 ] - [ 0.0003108800000000, 0.0000232000000000, 0.0003240600000000 ] - [ 0.0000053800000000, 0.0008961300000000, -0.0019131500000000 ] - [ -0.0001789600000000, -0.0001105600000000, 0.0005362500000000 ] - [ -0.0011396500000000, 0.0000000000000000, 0.0032596600000000 ] - [ -0.0006787700000000, 0.0004444100000000, -0.0000913900000000 ] - [ 0.0001895600000000, -0.0015759000000000, -0.0019763300000000 ] - [ 0.0007213100000000, 0.0029510400000000, -0.0000094800000000 ] - [ -0.0005085300000000, 0.0001636200000000, 0.0004131200000000 ] - [ -0.0010554300000000, -0.0000405100000000, -0.0000178600000000 ] - [ 0.0030572400000000, 0.0000000000000000, -0.0004335300000000 ] - [ 0.0003108800000000, -0.0000232000000000, 0.0003240600000000 ] - [ 0.3453387300000000, 0.0000000000000000, 0.0921487200000000 ] - [ 0.0002411900000000, -0.0001529400000000, 0.0001678900000000 ] - [ 0.0000389100000000, -0.0001641400000000, 0.0000555000000000 ] - [ 0.1474521100000000, 0.1048739300000000, -0.0428579700000000 ] - [ 0.0007213100000000, -0.0029510400000000, -0.0000094800000000 ] - [ -0.0000108700000000, -0.0000900100000000, -0.0003157500000000 ] - [ 0.0000177800000000, 0.0000000000000000, 0.0000271900000000 ] - [ 0.0001069900000000, 0.0001323700000000, -0.0002397300000000 ] - [ -0.0004312800000000, 0.0002737000000000, 0.0008220200000000 ] - [ 0.0001040200000000, -0.0007606400000000, -0.0005279900000000 ] - [ 0.0002365900000000, 0.0005457700000000, -0.0004497500000000 ] - [ -0.0037372900000000, 0.0005788500000000, 0.0028147600000000 ] - [ -0.0021937500000000, -0.0005976500000000, -0.0001386800000000 ] - [ -0.0011943700000000, 0.0002938800000000, -0.0004764500000000 ] - [ -0.0001151500000000, -0.0029972500000000, -0.0028090800000000 ] - [ 0.0002365900000000, -0.0005457700000000, -0.0004497500000000 ] - [ -0.0002021400000000, 0.0000668500000000, 0.0001474200000000 ] - [ 0.0003857000000000, -0.0000877800000000, 0.0001475100000000 ] - [ -0.0002021400000000, -0.0000668500000000, 0.0001474200000000 ] - [ 0.0015393900000000, -0.0016492700000000, -0.0010134100000000 ] - [ 0.0874702400000000, 0.0000000000000000, 0.0007851200000000 ] - [ 0.0044273000000000, -0.0003794300000000, 0.0014408300000000 ] - [ -0.0000466600000000, 0.0002285400000000, 0.0004527300000000 ] - [ -0.0005085300000000, -0.0001636200000000, 0.0004131200000000 ] - [ -0.0003187600000000, -0.0002317000000000, 0.0003610200000000 ] - [ -0.0000108700000000, 0.0000900100000000, -0.0003157500000000 ] - [ -0.0000466600000000, -0.0002285400000000, 0.0004527300000000 ] - [ 0.0004341200000000, 0.0007277500000000, 0.0004323300000000 ] - [ -0.0000089200000000, -0.0002080300000000, 0.0002821600000000 ] - [ -0.0016351700000000, 0.0034558100000000, 0.0011349800000000 ] - [ -0.0017674600000000, 0.0000000000000000, -0.0017799300000000 ] - [ 0.0000924800000000, 0.0000949300000000, 0.0000949600000000 ] - [ -0.0016351700000000, -0.0034558100000000, 0.0011349800000000 ] - [ -0.0001529100000000, 0.0000000000000000, -0.0001354200000000 ] - [ 0.0001538300000000, -0.0007131100000000, 0.0011392900000000 ] - [ 0.0004341200000000, -0.0007277500000000, 0.0004323300000000 ] - [ 0.0016640500000000, -0.0045715300000000, 0.0007973600000000 ] - [ -0.0009658900000000, 0.0000000000000000, -0.0009337100000000 ] - [ 0.0000924800000000, -0.0000949300000000, 0.0000949600000000 ] - [ -0.0062633500000000, 0.0000000000000000, -0.0026536700000000 ] - [ 0.0001538300000000, 0.0007131100000000, 0.0011392900000000 ] - [ 0.0016640500000000, 0.0045715300000000, 0.0007973600000000 ] - [ -0.0000124600000000, 0.0000000000000000, -0.0002634900000000 ] - [ -0.0076253200000000, 0.0000000000000000, -0.0020492200000000 ] - [ -0.0000089200000000, 0.0002080300000000, 0.0002821600000000 ]- atom: 71 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000514700000000, 0.0001659700000000, 0.0002019600000000 ] - [ 0.0000406900000000, 0.0001448600000000, 0.0002005600000000 ] - [ 0.0000742200000000, 0.0000566500000000, 0.0001714800000000 ] - [ -0.0001133700000000, -0.0001352900000000, 0.0001312200000000 ] - [ 0.0012227300000000, 0.0030185200000000, 0.0061233000000000 ] - [ -0.0085102000000000, 0.0055639200000000, -0.0000626700000000 ] - [ 0.0047606400000000, -0.0040425200000000, -0.0006763300000000 ] - [ 0.0012227300000000, -0.0030185200000000, 0.0061233000000000 ] - [ -0.0002507500000000, 0.0005690400000000, 0.0000461100000000 ] - [ -0.0104553000000000, -0.0101014000000000, 0.0007348700000000 ] - [ -0.0001133700000000, 0.0001352900000000, 0.0001312200000000 ] - [ -0.0023331000000000, -0.0010831800000000, -0.0012900400000000 ] - [ -0.0020117200000000, -0.0004333400000000, -0.0010055100000000 ] - [ 0.0000818700000000, 0.0002313000000000, 0.0009855600000000 ] - [ -0.0007059300000000, -0.0012166400000000, 0.0005212200000000 ] - [ 0.0000406900000000, -0.0001448600000000, 0.0002005600000000 ] - [ 0.0001908600000000, 0.0000000000000000, 0.0001421700000000 ] - [ 0.0001029300000000, 0.0001900800000000, 0.0001565700000000 ] - [ 0.0003000600000000, -0.0003608700000000, 0.0008144000000000 ] - [ -0.0020117200000000, 0.0004333400000000, -0.0010055100000000 ] - [ 0.0047606400000000, 0.0040425200000000, -0.0006763300000000 ] - [ 0.0005673900000000, -0.0000089800000000, -0.0001438600000000 ] - [ 0.0000514700000000, -0.0001659700000000, 0.0002019600000000 ] - [ 0.0001332400000000, 0.0000000000000000, 0.0000425200000000 ] - [ -0.0006980700000000, 0.0000000000000000, 0.0005825600000000 ] - [ 0.0002294900000000, 0.0002045400000000, -0.0001746700000000 ] - [ 0.0031851800000000, 0.0031301600000000, 0.0039099200000000 ] - [ -0.0001406400000000, 0.0002013800000000, -0.0006434300000000 ] - [ 0.0001150600000000, 0.0000497500000000, 0.0002385900000000 ] - [ 0.0000818700000000, -0.0002313000000000, 0.0009855600000000 ] - [ -0.0035869800000000, 0.0000000000000000, 0.0001583300000000 ] - [ -0.0032622200000000, 0.0000000000000000, -0.0128251000000000 ] - [ 0.0005479300000000, -0.0000154000000000, 0.0003776600000000 ] - [ 0.0005479300000000, 0.0000154000000000, 0.0003776600000000 ] - [ -0.0007059300000000, 0.0012166400000000, 0.0005212200000000 ] - [ -0.0001185300000000, -0.0000352300000000, 0.0001055900000000 ] - [ -0.0007914100000000, 0.0022607000000000, -0.0000454600000000 ] - [ -0.0023331000000000, 0.0010831800000000, -0.0012900400000000 ] - [ -0.0007914100000000, -0.0022607000000000, -0.0000454600000000 ] - [ -0.0002507500000000, -0.0005690400000000, 0.0000461100000000 ] - [ -0.0003838800000000, 0.0016928000000000, 0.0002641800000000 ] - [ 0.0001029300000000, -0.0001900800000000, 0.0001565700000000 ] - [ 0.0031851800000000, -0.0031301600000000, 0.0039099200000000 ] - [ -0.0085102000000000, -0.0055639200000000, -0.0000626700000000 ] - [ 0.0003000600000000, 0.0003608700000000, 0.0008144000000000 ] - [ 0.0001150600000000, -0.0000497500000000, 0.0002385900000000 ] - [ 0.0002294900000000, -0.0002045400000000, -0.0001746700000000 ] - [ -0.0002277500000000, -0.0001949200000000, -0.0004670000000000 ] - [ -0.0002277500000000, 0.0001949200000000, -0.0004670000000000 ] - [ -0.0019047300000000, 0.0000000000000000, -0.0083904400000000 ] - [ -0.0001406400000000, -0.0002013800000000, -0.0006434300000000 ] - [ -0.0003109300000000, 0.0001216700000000, 0.0001620900000000 ] - [ -0.0001185300000000, 0.0000352300000000, 0.0001055900000000 ] - [ 0.0000147900000000, -0.0008551100000000, 0.0004122900000000 ] - [ 0.0000742200000000, -0.0000566500000000, 0.0001714800000000 ] - [ 0.0005673900000000, 0.0000089800000000, -0.0001438600000000 ] - [ -0.0104553000000000, 0.0101014000000000, 0.0007348700000000 ] - [ -0.0003109300000000, -0.0001216700000000, 0.0001620900000000 ] - [ -0.0002163900000000, -0.0005123600000000, 0.0001734300000000 ] - [ -0.0002163900000000, 0.0005123600000000, 0.0001734300000000 ] - [ -0.0003838800000000, -0.0016928000000000, 0.0002641800000000 ] - [ 0.0000147900000000, 0.0008551100000000, 0.0004122900000000 ] - [ -0.0008078000000000, 0.0000000000000000, 0.0000496200000000 ] - [ 0.0001521200000000, 0.0001769800000000, 0.0001469900000000 ] - [ 0.0000276200000000, 0.0001645400000000, -0.0000521800000000 ] - [ -0.0043784800000000, 0.0000631800000000, 0.0000873900000000 ] - [ -0.0006552500000000, 0.0003120000000000, -0.0005026200000000 ] - [ 0.0001451000000000, -0.0045211900000000, -0.0030040900000000 ] - [ -0.0006552500000000, -0.0003120000000000, -0.0005026200000000 ] - [ 0.0013980600000000, 0.0000000000000000, 0.0004396100000000 ] - [ 0.7203348400000000, 0.0000000000000000, -0.0074487600000000 ] - [ 0.0082631700000000, -0.0092426500000000, -0.0025730200000000 ] - [ -0.0084420500000000, 0.0000000000000000, 0.0044670100000000 ] - [ -0.0085198600000000, 0.0000000000000000, 0.0058189700000000 ] - [ -0.0043784800000000, -0.0000631800000000, 0.0000873900000000 ] - [ 0.0082631700000000, 0.0092426500000000, -0.0025730200000000 ] - [ -0.0003196600000000, 0.0000000000000000, 0.0005864300000000 ] - [ 0.0001521200000000, -0.0001769800000000, 0.0001469900000000 ] - [ 0.0001451000000000, 0.0045211900000000, -0.0030040900000000 ] - [ -0.0000583000000000, 0.0000000000000000, 0.0004472100000000 ] - [ -0.0009705600000000, 0.0004315000000000, -0.0002869700000000 ] - [ -0.0009705600000000, -0.0004315000000000, -0.0002869700000000 ] - [ 0.0012778700000000, 0.0000000000000000, 0.0003416300000000 ] - [ 0.0000276200000000, -0.0001645400000000, -0.0000521800000000 ] - [ 0.0000361300000000, -0.0000160600000000, -0.0001206200000000 ] - [ 0.0000361300000000, 0.0000160600000000, -0.0001206200000000 ] - [ -0.0000753900000000, 0.0000000000000000, 0.0001653700000000 ] - [ -0.0006086500000000, 0.0000491800000000, 0.0000335400000000 ] - [ 0.0001892200000000, 0.0000248500000000, 0.0004073400000000 ] - [ 0.0005148600000000, 0.0000000000000000, 0.0001156000000000 ] - [ 0.0001785200000000, -0.0001097700000000, 0.0004961000000000 ] - [ 0.0009121600000000, 0.0007241600000000, -0.0005036100000000 ] - [ 0.0006162700000000, 0.0021051300000000, -0.0000645200000000 ] - [ 0.0038069600000000, 0.0000000000000000, -0.0000482200000000 ] - [ 0.0037814300000000, 0.0003852100000000, -0.0045434800000000 ] - [ -0.0002385700000000, 0.0000000000000000, -0.0003668900000000 ] - [ 0.0012797700000000, 0.0000000000000000, -0.0022921200000000 ] - [ -0.0001840000000000, 0.0001553600000000, -0.0000089300000000 ] - [ -0.0008365500000000, 0.0000000000000000, 0.0002148800000000 ] - [ -0.0004680400000000, 0.0002434500000000, -0.0004665800000000 ] - [ 0.0009121600000000, -0.0007241600000000, -0.0005036100000000 ] - [ -0.0000819300000000, -0.0000192700000000, -0.0000369500000000 ] - [ 0.0025516900000000, 0.0011886900000000, 0.0000365800000000 ] - [ 0.0007651600000000, 0.0006558800000000, -0.0004151800000000 ] - [ -0.0010335700000000, 0.0000000000000000, 0.0003499400000000 ] - [ 0.0040299400000000, 0.0010300300000000, -0.0030802300000000 ] - [ 0.0001954000000000, 0.0001515000000000, 0.0002062000000000 ] - [ -0.1486047800000000, 0.1095276900000000, 0.0447277900000000 ] - [ -0.0001432600000000, 0.0006678300000000, 0.0015483000000000 ] - [ 0.0000981000000000, -0.0027201000000000, 0.0023118200000000 ] - [ -0.0015805400000000, -0.0015739200000000, 0.0014682800000000 ] - [ 0.0001203400000000, -0.0002572100000000, -0.0000701400000000 ] - [ -0.0000819300000000, 0.0000192700000000, -0.0000369500000000 ] - [ 0.0010590800000000, -0.0000339000000000, -0.0000204000000000 ] - [ -0.0001156100000000, 0.0004536000000000, 0.0002982800000000 ] - [ 0.0004282400000000, 0.0002704200000000, 0.0008139300000000 ] - [ -0.0001009700000000, 0.0000000000000000, -0.0002830000000000 ] - [ -0.0006086500000000, -0.0000491800000000, 0.0000335400000000 ] - [ 0.0045164300000000, 0.0000000000000000, 0.0001628700000000 ] - [ 0.0023402200000000, -0.0009199400000000, -0.0005188500000000 ] - [ -0.0049478400000000, -0.0003827500000000, -0.0016612900000000 ] - [ -0.0012970800000000, -0.0073867800000000, 0.0043943900000000 ] - [ -0.0004642100000000, -0.0014125200000000, 0.0014535900000000 ] - [ -0.0001476400000000, -0.0001724000000000, 0.0002297700000000 ] - [ 0.0001038000000000, 0.0000000000000000, -0.0003848400000000 ] - [ 0.0006162700000000, -0.0021051300000000, -0.0000645200000000 ] - [ 0.0005954000000000, 0.0002882100000000, 0.0003928400000000 ] - [ 0.0025516900000000, -0.0011886900000000, 0.0000365800000000 ] - [ -0.0001476400000000, 0.0001724000000000, 0.0002297700000000 ] - [ -0.0002379700000000, 0.0001528100000000, 0.0003710200000000 ] - [ -0.0012970800000000, 0.0073867800000000, 0.0043943900000000 ] - [ 0.0037814300000000, -0.0003852100000000, -0.0045434800000000 ] - [ -0.0002379700000000, -0.0001528100000000, 0.0003710200000000 ] - [ -0.0008684600000000, 0.0009455200000000, 0.0004696400000000 ] - [ -0.0001432600000000, -0.0006678300000000, 0.0015483000000000 ] - [ 0.0001785200000000, 0.0001097700000000, 0.0004961000000000 ] - [ 0.0014088400000000, 0.0000000000000000, -0.0036091200000000 ] - [ 0.0005954000000000, -0.0002882100000000, 0.0003928400000000 ] - [ -0.0004642100000000, 0.0014125200000000, 0.0014535900000000 ] - [ -0.0006103500000000, -0.0031454000000000, -0.0003178900000000 ] - [ 0.0006805700000000, -0.0001625400000000, -0.0001106200000000 ] - [ 0.0010590800000000, 0.0000339000000000, -0.0000204000000000 ] - [ -0.0030621500000000, 0.0000000000000000, -0.0004275800000000 ] - [ -0.0008684600000000, -0.0009455200000000, 0.0004696400000000 ] - [ -0.3225211400000000, 0.0000000000000000, -0.0832195500000000 ] - [ 0.0001892200000000, -0.0000248500000000, 0.0004073400000000 ] - [ -0.0001156100000000, -0.0004536000000000, 0.0002982800000000 ] - [ -0.1486047800000000, -0.1095276900000000, 0.0447277900000000 ] - [ -0.0006103500000000, 0.0031454000000000, -0.0003178900000000 ] - [ -0.0000483500000000, -0.0000188800000000, -0.0001888200000000 ] - [ 0.0001596400000000, 0.0000000000000000, -0.0002303900000000 ] - [ 0.0001203400000000, 0.0002572100000000, -0.0000701400000000 ] - [ 0.0004282400000000, -0.0002704200000000, 0.0008139300000000 ] - [ 0.0007651600000000, -0.0006558800000000, -0.0004151800000000 ] - [ 0.0005479400000000, 0.0009153100000000, -0.0004930900000000 ] - [ 0.0040299400000000, -0.0010300300000000, -0.0030802300000000 ] - [ 0.0023402200000000, 0.0009199400000000, -0.0005188500000000 ] - [ -0.0004680400000000, -0.0002434500000000, -0.0004665800000000 ] - [ 0.0000981000000000, 0.0027201000000000, 0.0023118200000000 ] - [ 0.0005479400000000, -0.0009153100000000, -0.0004930900000000 ] - [ 0.0001175600000000, -0.0002036500000000, 0.0001595600000000 ] - [ 0.0001954000000000, -0.0001515000000000, 0.0002062000000000 ] - [ 0.0001175600000000, 0.0002036500000000, 0.0001595600000000 ] - [ -0.0015805400000000, 0.0015739200000000, 0.0014682800000000 ] - [ -0.0873599500000000, 0.0000000000000000, 0.0007800500000000 ] - [ -0.0049478400000000, 0.0003827500000000, -0.0016612900000000 ] - [ -0.0000166600000000, 0.0002237500000000, 0.0001223000000000 ] - [ 0.0006805700000000, 0.0001625400000000, -0.0001106200000000 ] - [ -0.0001840000000000, -0.0001553600000000, -0.0000089300000000 ] - [ -0.0000483500000000, 0.0000188800000000, -0.0001888200000000 ] - [ -0.0000166600000000, -0.0002237500000000, 0.0001223000000000 ] - [ -0.0003891800000000, -0.0008049600000000, -0.0004787900000000 ] - [ -0.0001072400000000, 0.0000045000000000, -0.0001140600000000 ] - [ 0.0016138000000000, -0.0034703600000000, -0.0009770900000000 ] - [ 0.0013108400000000, 0.0000000000000000, 0.0021096100000000 ] - [ -0.0000673100000000, -0.0001369000000000, -0.0000259800000000 ] - [ 0.0016138000000000, 0.0034703600000000, -0.0009770900000000 ] - [ 0.0001010500000000, 0.0000000000000000, 0.0002073400000000 ] - [ 0.0000778300000000, 0.0011180500000000, -0.0008091800000000 ] - [ -0.0003891800000000, 0.0008049600000000, -0.0004787900000000 ] - [ -0.0016316100000000, 0.0045856400000000, -0.0015222300000000 ] - [ 0.0008708400000000, 0.0000000000000000, 0.0009006300000000 ] - [ -0.0000673100000000, 0.0001369000000000, -0.0000259800000000 ] - [ 0.0063144200000000, 0.0000000000000000, 0.0019597700000000 ] - [ 0.0000778300000000, -0.0011180500000000, -0.0008091800000000 ] - [ -0.0016316100000000, -0.0045856400000000, -0.0015222300000000 ] - [ 0.0002494500000000, 0.0000000000000000, 0.0004307000000000 ] - [ 0.0076111200000000, 0.0000000000000000, 0.0021926400000000 ] - [ -0.0001072400000000, -0.0000045000000000, -0.0001140600000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000260800000000, 0.0002771300000000, 0.0012391400000000 ] - [ -0.0003728600000000, 0.0006458200000000, 0.0018057200000000 ] - [ -0.0001192000000000, 0.0002064600000000, 0.0015608900000000 ] - [ 0.0001154300000000, -0.0000824200000000, 0.0010203500000000 ] - [ -0.0031539700000000, 0.0054628300000000, 0.0052127300000000 ] - [ -0.0032980700000000, 0.0005113100000000, -0.0043071600000000 ] - [ 0.0012062300000000, -0.0031118600000000, -0.0043071600000000 ] - [ -0.0031539700000000, -0.0054628300000000, 0.0052127300000000 ] - [ -0.0000425400000000, 0.0000736800000000, 0.0009761000000000 ] - [ 0.0020918400000000, 0.0026005600000000, -0.0043071600000000 ] - [ 0.0001154300000000, 0.0000824200000000, 0.0010203500000000 ] - [ 0.0005342600000000, 0.0002559800000000, -0.0001678500000000 ] - [ 0.0005047100000000, 0.0001819300000000, -0.0016432200000000 ] - [ -0.0004487100000000, 0.0002533100000000, 0.0013583700000000 ] - [ -0.0004888200000000, -0.0003346900000000, -0.0001678500000000 ] - [ -0.0003728600000000, -0.0006458200000000, 0.0018057200000000 ] - [ 0.0007457300000000, 0.0000000000000000, 0.0018057200000000 ] - [ 0.0000136600000000, 0.0001411700000000, 0.0010203500000000 ] - [ -0.0012876100000000, -0.0004590600000000, 0.0011055100000000 ] - [ 0.0005047100000000, -0.0001819300000000, -0.0016432200000000 ] - [ 0.0012062300000000, 0.0031118600000000, -0.0043071600000000 ] - [ 0.0002462500000000, -0.0013446300000000, 0.0011055100000000 ] - [ -0.0000260800000000, -0.0002771300000000, 0.0012391400000000 ] - [ 0.0002384000000000, 0.0000000000000000, 0.0015608900000000 ] - [ 0.0002677600000000, 0.0000000000000000, 0.0008590600000000 ] - [ -0.0000948000000000, 0.0005280600000000, -0.0016432200000000 ] - [ -0.0072597500000000, 0.0125742500000000, 0.0039004300000000 ] - [ 0.0004437300000000, -0.0002619400000000, 0.0013583700000000 ] - [ 0.0002530400000000, 0.0001159900000000, 0.0012391400000000 ] - [ -0.0004487100000000, -0.0002533100000000, 0.0013583700000000 ] - [ 0.0005711200000000, 0.0000000000000000, -0.0021011300000000 ] - [ 0.0063079300000000, 0.0000000000000000, 0.0052127300000000 ] - [ 0.0000049800000000, -0.0005152500000000, 0.0013583700000000 ] - [ 0.0000049800000000, 0.0005152500000000, 0.0013583700000000 ] - [ -0.0004888200000000, 0.0003346900000000, -0.0001678500000000 ] - [ -0.0001290900000000, 0.0000587500000000, 0.0010203500000000 ] - [ -0.0002855600000000, 0.0004946100000000, -0.0021011300000000 ] - [ 0.0005342600000000, -0.0002559800000000, -0.0001678500000000 ] - [ -0.0002855600000000, -0.0004946100000000, -0.0021011300000000 ] - [ -0.0000425400000000, -0.0000736800000000, 0.0009761000000000 ] - [ -0.0004099200000000, 0.0003461300000000, -0.0016432200000000 ] - [ 0.0000136600000000, -0.0001411700000000, 0.0010203500000000 ] - [ -0.0072597500000000, -0.0125742500000000, 0.0039004300000000 ] - [ -0.0032980700000000, -0.0005113100000000, -0.0043071600000000 ] - [ -0.0012876100000000, 0.0004590600000000, 0.0011055100000000 ] - [ 0.0002530400000000, -0.0001159900000000, 0.0012391400000000 ] - [ -0.0000948000000000, -0.0005280600000000, -0.0016432200000000 ] - [ 0.0010413600000000, -0.0008855700000000, 0.0011055100000000 ] - [ 0.0010413600000000, 0.0008855700000000, 0.0011055100000000 ] - [ 0.0145194900000000, 0.0000000000000000, 0.0039004300000000 ] - [ 0.0004437300000000, 0.0002619400000000, 0.0013583700000000 ] - [ -0.0002269700000000, 0.0001611500000000, 0.0012391400000000 ] - [ -0.0001290900000000, -0.0000587500000000, 0.0010203500000000 ] - [ -0.0000454400000000, -0.0005906700000000, -0.0001678500000000 ] - [ -0.0001192000000000, -0.0002064600000000, 0.0015608900000000 ] - [ 0.0002462500000000, 0.0013446300000000, 0.0011055100000000 ] - [ 0.0020918400000000, -0.0026005600000000, -0.0043071600000000 ] - [ -0.0002269700000000, -0.0001611500000000, 0.0012391400000000 ] - [ -0.0001338800000000, -0.0002318800000000, 0.0008590600000000 ] - [ -0.0001338800000000, 0.0002318800000000, 0.0008590600000000 ] - [ -0.0004099200000000, -0.0003461300000000, -0.0016432200000000 ] - [ -0.0000454400000000, 0.0005906700000000, -0.0001678500000000 ] - [ 0.0000850800000000, 0.0000000000000000, 0.0009761000000000 ] - [ 0.0001297100000000, -0.0002246700000000, 0.0034567800000000 ] - [ 0.0003476200000000, -0.0006020900000000, 0.0031773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035648700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006568900000000 ] - [ 0.0029754400000000, 0.0051536100000000, -0.0006277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006568900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.7018490400000000 ] - [ 0.0022076600000000, 0.0038237700000000, 0.0021998000000000 ] - [ -0.0044153100000000, 0.0000000000000000, 0.0021998000000000 ] - [ -0.0059508800000000, 0.0000000000000000, -0.0006277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035648700000000 ] - [ 0.0022076600000000, -0.0038237700000000, 0.0021998000000000 ] - [ -0.0002594300000000, 0.0000000000000000, 0.0034567800000000 ] - [ 0.0001297100000000, 0.0002246700000000, 0.0034567800000000 ] - [ 0.0029754400000000, -0.0051536100000000, -0.0006277000000000 ] - [ -0.0006952300000000, 0.0000000000000000, 0.0031773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021450500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021450500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0116008200000000 ] - [ 0.0003476200000000, 0.0006020900000000, 0.0031773200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012115600000000 ] - [ 0.0001569800000000, -0.0002718900000000, -0.0045646400000000 ] - [ 0.0001738900000000, 0.0007435400000000, -0.0008969200000000 ] - [ 0.0000827800000000, 0.0000000000000000, -0.0008134100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011867800000000 ] - [ -0.0001821800000000, -0.0000897600000000, 0.0012795400000000 ] - [ -0.0012976900000000, -0.0022476600000000, 0.0015966500000000 ] - [ 0.0025953700000000, 0.0000000000000000, 0.0015966500000000 ] - [ 0.0038234800000000, 0.0000903300000000, 0.0009667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060507700000000 ] - [ 0.0007261000000000, 0.0000000000000000, -0.0014133000000000 ] - [ 0.0000431800000000, -0.0001342800000000, -0.0009734700000000 ] - [ -0.0011213300000000, 0.0000000000000000, -0.0024745300000000 ] - [ -0.0006542300000000, 0.0000347300000000, -0.0007153200000000 ] - [ -0.0001821800000000, 0.0000897600000000, 0.0012795400000000 ] - [ -0.0000297900000000, -0.0000515900000000, -0.0022170600000000 ] - [ 0.0001688300000000, -0.0001128900000000, 0.0012795400000000 ] - [ 0.0002970400000000, 0.0005839500000000, -0.0007153200000000 ] - [ -0.0003139500000000, 0.0000000000000000, -0.0045646400000000 ] - [ 0.0025666600000000, 0.0004549300000000, -0.0013173100000000 ] - [ -0.0001378800000000, 0.0000297500000000, -0.0009734700000000 ] - [ -0.0443713500000000, 0.0768534400000000, 0.1175615200000000 ] - [ -0.0005941400000000, -0.0010290700000000, -0.0000159100000000 ] - [ -0.0018335200000000, 0.0033564000000000, 0.0009667100000000 ] - [ -0.0003630500000000, 0.0006288200000000, -0.0014133000000000 ] - [ 0.0001067200000000, -0.0001848500000000, -0.0010409900000000 ] - [ -0.0000297900000000, 0.0000515900000000, -0.0022170600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022493100000000 ] - [ 0.0000947000000000, -0.0001045300000000, -0.0009734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011649900000000 ] - [ -0.0002134500000000, 0.0000000000000000, -0.0010409900000000 ] - [ 0.0001569800000000, 0.0002718900000000, -0.0045646400000000 ] - [ 0.0016012200000000, 0.0000000000000000, 0.0001263800000000 ] - [ 0.0000133500000000, 0.0002026500000000, 0.0012795400000000 ] - [ -0.0016773100000000, 0.0019953200000000, -0.0013173100000000 ] - [ -0.0008893400000000, 0.0024502600000000, -0.0013173100000000 ] - [ -0.0019899700000000, 0.0032660700000000, 0.0009667100000000 ] - [ -0.0000413900000000, -0.0000716900000000, -0.0008134100000000 ] - [ 0.0001750900000000, 0.0000000000000000, -0.0023350200000000 ] - [ -0.0012976900000000, 0.0022476600000000, 0.0015966500000000 ] - [ -0.0002677800000000, -0.0003985900000000, -0.0006048000000000 ] - [ 0.0001688300000000, 0.0001128900000000, 0.0012795400000000 ] - [ -0.0000413900000000, 0.0000716900000000, -0.0008134100000000 ] - [ -0.0007308700000000, -0.0002211700000000, -0.0008969200000000 ] - [ -0.0008893400000000, -0.0024502600000000, -0.0013173100000000 ] - [ 0.0038234800000000, -0.0000903300000000, 0.0009667100000000 ] - [ -0.0007308700000000, 0.0002211700000000, -0.0008969200000000 ] - [ 0.0005606700000000, -0.0009711000000000, -0.0024745300000000 ] - [ -0.0005941400000000, 0.0010290700000000, -0.0000159100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011867800000000 ] - [ 0.0011882700000000, 0.0000000000000000, -0.0000159100000000 ] - [ -0.0002677800000000, 0.0003985900000000, -0.0006048000000000 ] - [ -0.0019899700000000, -0.0032660700000000, 0.0009667100000000 ] - [ -0.0008006100000000, 0.0013867000000000, 0.0001263800000000 ] - [ 0.0004790700000000, -0.0000326100000000, -0.0006048000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022493100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0088217700000000 ] - [ 0.0005606700000000, 0.0009711000000000, -0.0024745300000000 ] - [ 0.0887427100000000, 0.0000000000000000, 0.1175615200000000 ] - [ 0.0001738900000000, -0.0007435400000000, -0.0008969200000000 ] - [ 0.0000947000000000, 0.0001045300000000, -0.0009734700000000 ] - [ -0.0443713500000000, -0.0768534400000000, 0.1175615200000000 ] - [ -0.0008006100000000, -0.0013867000000000, 0.0001263800000000 ] - [ -0.0000875400000000, -0.0001516300000000, -0.0023350200000000 ] - [ 0.0000595800000000, 0.0000000000000000, -0.0022170600000000 ] - [ 0.0001067200000000, 0.0001848500000000, -0.0010409900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011649900000000 ] - [ 0.0002970400000000, -0.0005839500000000, -0.0007153200000000 ] - [ 0.0003571900000000, 0.0005492200000000, -0.0007153200000000 ] - [ 0.0025666600000000, -0.0004549300000000, -0.0013173100000000 ] - [ 0.0000133500000000, -0.0002026500000000, 0.0012795400000000 ] - [ -0.0006542300000000, -0.0000347300000000, -0.0007153200000000 ] - [ -0.0018335200000000, -0.0033564000000000, 0.0009667100000000 ] - [ 0.0003571900000000, -0.0005492200000000, -0.0007153200000000 ] - [ -0.0002113000000000, -0.0004311900000000, -0.0006048000000000 ] - [ -0.0001378800000000, -0.0000297500000000, -0.0009734700000000 ] - [ -0.0002113000000000, 0.0004311900000000, -0.0006048000000000 ] - [ -0.0003630500000000, -0.0006288200000000, -0.0014133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3390320100000000 ] - [ -0.0016773100000000, -0.0019953200000000, -0.0013173100000000 ] - [ 0.0005569800000000, 0.0005223600000000, -0.0008969200000000 ] - [ 0.0004790700000000, 0.0000326100000000, -0.0006048000000000 ] - [ 0.0000431800000000, 0.0001342800000000, -0.0009734700000000 ] - [ -0.0000875400000000, 0.0001516300000000, -0.0023350200000000 ] - [ 0.0005569800000000, -0.0005223600000000, -0.0008969200000000 ] - [ 0.0009138600000000, -0.0015828500000000, -0.0002124400000000 ] - [ 0.0000606000000000, 0.0001049600000000, -0.0009710700000000 ] - [ 0.0012478800000000, -0.0021613900000000, 0.0006965600000000 ] - [ -0.0010309800000000, 0.0000000000000000, -0.0006114600000000 ] - [ 0.0003102500000000, -0.0005373700000000, -0.0010432900000000 ] - [ 0.0012478800000000, 0.0021613900000000, 0.0006965600000000 ] - [ -0.0006205000000000, 0.0000000000000000, -0.0010432900000000 ] - [ 0.0005154900000000, 0.0008928600000000, -0.0006114600000000 ] - [ 0.0009138600000000, 0.0015828500000000, -0.0002124400000000 ] - [ 0.0004718500000000, 0.0008172700000000, 0.0039333100000000 ] - [ -0.0018277200000000, 0.0000000000000000, -0.0002124400000000 ] - [ 0.0003102500000000, 0.0005373700000000, -0.0010432900000000 ] - [ -0.0009437000000000, 0.0000000000000000, 0.0039333100000000 ] - [ 0.0005154900000000, -0.0008928600000000, -0.0006114600000000 ] - [ 0.0004718500000000, -0.0008172700000000, 0.0039333100000000 ] - [ -0.0001212000000000, 0.0000000000000000, -0.0009710700000000 ] - [ -0.0024957600000000, 0.0000000000000000, 0.0006965600000000 ] - [ 0.0000606000000000, -0.0001049600000000, -0.0009710700000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000737300000000, 0.0001519000000000, -0.0007991600000000 ] - [ 0.0002537500000000, -0.0004395100000000, -0.0014720100000000 ] - [ 0.0000523900000000, -0.0000907500000000, -0.0012657200000000 ] - [ -0.0000898400000000, -0.0002009100000000, -0.0007804100000000 ] - [ 0.0028560400000000, -0.0049468100000000, -0.0056055800000000 ] - [ 0.0030704300000000, -0.0009069900000000, 0.0042782000000000 ] - [ -0.0007497400000000, 0.0031125600000000, 0.0042782000000000 ] - [ 0.0028560400000000, 0.0049468100000000, -0.0056055800000000 ] - [ -0.0000904400000000, 0.0001566400000000, -0.0008428500000000 ] - [ -0.0023206900000000, -0.0022055700000000, 0.0042782000000000 ] - [ -0.0000898400000000, 0.0002009100000000, -0.0007804100000000 ] - [ -0.0006615200000000, -0.0006865900000000, -0.0000978700000000 ] - [ -0.0006914300000000, -0.0006022900000000, 0.0010613100000000 ] - [ 0.0004682000000000, -0.0004080900000000, -0.0008447800000000 ] - [ 0.0009253600000000, 0.0002296000000000, -0.0000978700000000 ] - [ 0.0002537500000000, 0.0004395100000000, -0.0014720100000000 ] - [ -0.0005075000000000, 0.0000000000000000, -0.0014720100000000 ] - [ 0.0002189100000000, 0.0000226500000000, -0.0007804100000000 ] - [ 0.0012570200000000, 0.0007585700000000, -0.0010046000000000 ] - [ -0.0006914300000000, 0.0006022900000000, 0.0010613100000000 ] - [ -0.0007497400000000, -0.0031125600000000, 0.0042782000000000 ] - [ 0.0000284400000000, 0.0014679000000000, -0.0010046000000000 ] - [ 0.0000737300000000, -0.0001519000000000, -0.0007991600000000 ] - [ -0.0001047900000000, 0.0000000000000000, -0.0012657200000000 ] - [ 0.0000110300000000, 0.0000000000000000, -0.0002729600000000 ] - [ -0.0001758800000000, -0.0008999400000000, 0.0010613100000000 ] - [ 0.0072017600000000, -0.0124738200000000, -0.0042818000000000 ] - [ -0.0005875100000000, 0.0002014300000000, -0.0008447800000000 ] - [ 0.0000946900000000, 0.0001398000000000, -0.0007991600000000 ] - [ 0.0004682000000000, 0.0004080900000000, -0.0008447800000000 ] - [ 0.0001799700000000, 0.0000000000000000, 0.0021357300000000 ] - [ -0.0057120800000000, 0.0000000000000000, -0.0056055800000000 ] - [ 0.0001193100000000, 0.0006095200000000, -0.0008447800000000 ] - [ 0.0001193100000000, -0.0006095200000000, -0.0008447800000000 ] - [ 0.0009253600000000, -0.0002296000000000, -0.0000978700000000 ] - [ -0.0001290700000000, -0.0001782600000000, -0.0007804100000000 ] - [ -0.0000899800000000, 0.0001558600000000, 0.0021357300000000 ] - [ -0.0006615200000000, 0.0006865900000000, -0.0000978700000000 ] - [ -0.0000899800000000, -0.0001558600000000, 0.0021357300000000 ] - [ -0.0000904400000000, -0.0001566400000000, -0.0008428500000000 ] - [ 0.0008673200000000, -0.0002976500000000, 0.0010613100000000 ] - [ 0.0002189100000000, -0.0000226500000000, -0.0007804100000000 ] - [ 0.0072017600000000, 0.0124738200000000, -0.0042818000000000 ] - [ 0.0030704300000000, 0.0009069900000000, 0.0042782000000000 ] - [ 0.0012570200000000, -0.0007585700000000, -0.0010046000000000 ] - [ 0.0000946900000000, -0.0001398000000000, -0.0007991600000000 ] - [ -0.0001758800000000, 0.0008999400000000, 0.0010613100000000 ] - [ -0.0012854500000000, 0.0007093200000000, -0.0010046000000000 ] - [ -0.0012854500000000, -0.0007093200000000, -0.0010046000000000 ] - [ -0.0144035300000000, 0.0000000000000000, -0.0042818000000000 ] - [ -0.0005875100000000, -0.0002014300000000, -0.0008447800000000 ] - [ -0.0001684100000000, 0.0000121000000000, -0.0007991600000000 ] - [ -0.0001290700000000, 0.0001782600000000, -0.0007804100000000 ] - [ -0.0002638400000000, 0.0009161900000000, -0.0000978700000000 ] - [ 0.0000523900000000, 0.0000907500000000, -0.0012657200000000 ] - [ 0.0000284400000000, -0.0014679000000000, -0.0010046000000000 ] - [ -0.0023206900000000, 0.0022055700000000, 0.0042782000000000 ] - [ -0.0001684100000000, -0.0000121000000000, -0.0007991600000000 ] - [ -0.0000055200000000, -0.0000095600000000, -0.0002729600000000 ] - [ -0.0000055200000000, 0.0000095600000000, -0.0002729600000000 ] - [ 0.0008673200000000, 0.0002976500000000, 0.0010613100000000 ] - [ -0.0002638400000000, -0.0009161900000000, -0.0000978700000000 ] - [ 0.0001808800000000, 0.0000000000000000, -0.0008428500000000 ] - [ -0.0000744900000000, 0.0001290100000000, -0.0028547900000000 ] - [ -0.0004150600000000, 0.0007189000000000, -0.0029333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003247600000000 ] - [ -0.0026886400000000, -0.0046568600000000, 0.0005372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003247600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.7294033000000000 ] - [ -0.0019633200000000, -0.0034005800000000, -0.0026765800000000 ] - [ 0.0039266500000000, 0.0000000000000000, -0.0026765800000000 ] - [ 0.0053772700000000, 0.0000000000000000, 0.0005372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037071100000000 ] - [ -0.0019633200000000, 0.0034005800000000, -0.0026765800000000 ] - [ 0.0001489700000000, 0.0000000000000000, -0.0028547900000000 ] - [ -0.0000744900000000, -0.0001290100000000, -0.0028547900000000 ] - [ -0.0026886400000000, 0.0046568600000000, 0.0005372400000000 ] - [ 0.0008301100000000, 0.0000000000000000, -0.0029333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108844300000000 ] - [ -0.0004150600000000, -0.0007189000000000, -0.0029333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015341100000000 ] - [ -0.0000397000000000, 0.0000687700000000, 0.0048162500000000 ] - [ 0.0002457500000000, -0.0005674000000000, 0.0014393200000000 ] - [ 0.0005410400000000, 0.0000000000000000, 0.0012377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022530700000000 ] - [ 0.0003811500000000, 0.0003623500000000, -0.0019236800000000 ] - [ 0.0014496300000000, 0.0025108300000000, -0.0016886700000000 ] - [ -0.0028992500000000, 0.0000000000000000, -0.0016886700000000 ] - [ -0.0035512900000000, 0.0000516700000000, -0.0014752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052202400000000 ] - [ -0.0006364300000000, 0.0000000000000000, 0.0018722600000000 ] - [ -0.0005359800000000, 0.0005061900000000, 0.0013455100000000 ] - [ 0.0022097700000000, 0.0000000000000000, 0.0032542200000000 ] - [ -0.0010052700000000, -0.0000822500000000, -0.0002590600000000 ] - [ 0.0003811500000000, -0.0003623500000000, -0.0019236800000000 ] - [ -0.0000596600000000, -0.0001033300000000, 0.0020171000000000 ] - [ -0.0005043800000000, 0.0001489100000000, -0.0019236800000000 ] - [ 0.0005738600000000, 0.0008294600000000, -0.0002590600000000 ] - [ 0.0000794100000000, 0.0000000000000000, 0.0048162500000000 ] - [ -0.0022779000000000, -0.0000022900000000, 0.0010735800000000 ] - [ 0.0007063700000000, 0.0002110800000000, 0.0013455100000000 ] - [ 0.0433883000000000, -0.0751507400000000, -0.1181073000000000 ] - [ 0.0004577800000000, 0.0007929000000000, -0.0003685100000000 ] - [ 0.0018203900000000, -0.0030496800000000, -0.0014752700000000 ] - [ 0.0003182100000000, -0.0005511600000000, 0.0018722600000000 ] - [ 0.0001184900000000, -0.0002052400000000, 0.0006973700000000 ] - [ -0.0000596600000000, 0.0001033300000000, 0.0020171000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022628300000000 ] - [ -0.0001703900000000, 0.0007172700000000, 0.0013455100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004630700000000 ] - [ -0.0002369900000000, 0.0000000000000000, 0.0006973700000000 ] - [ -0.0000397000000000, -0.0000687700000000, 0.0048162500000000 ] - [ -0.0017996700000000, 0.0000000000000000, -0.0004558800000000 ] - [ 0.0001232300000000, -0.0005112600000000, -0.0019236800000000 ] - [ 0.0011409300000000, -0.0019715700000000, 0.0010735800000000 ] - [ 0.0011369700000000, -0.0019738600000000, 0.0010735800000000 ] - [ 0.0017309000000000, -0.0031013400000000, -0.0014752700000000 ] - [ -0.0002705200000000, -0.0004685500000000, 0.0012377400000000 ] - [ -0.0000471800000000, 0.0000000000000000, 0.0018137900000000 ] - [ 0.0014496300000000, -0.0025108300000000, -0.0016886700000000 ] - [ 0.0001862000000000, 0.0002493400000000, 0.0009194000000000 ] - [ -0.0005043800000000, -0.0001489100000000, -0.0019236800000000 ] - [ -0.0002705200000000, 0.0004685500000000, 0.0012377400000000 ] - [ 0.0003685100000000, 0.0004965300000000, 0.0014393200000000 ] - [ 0.0011369700000000, 0.0019738600000000, 0.0010735800000000 ] - [ -0.0035512900000000, -0.0000516700000000, -0.0014752700000000 ] - [ 0.0003685100000000, -0.0004965300000000, 0.0014393200000000 ] - [ -0.0011048900000000, 0.0019137200000000, 0.0032542200000000 ] - [ 0.0004577800000000, -0.0007929000000000, -0.0003685100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022530700000000 ] - [ -0.0009155700000000, 0.0000000000000000, -0.0003685100000000 ] - [ 0.0001862000000000, -0.0002493400000000, 0.0009194000000000 ] - [ 0.0017309000000000, 0.0031013400000000, -0.0014752700000000 ] - [ 0.0008998300000000, -0.0015585600000000, -0.0004558800000000 ] - [ -0.0003090300000000, 0.0000365800000000, 0.0009194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022628300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078428900000000 ] - [ -0.0011048900000000, -0.0019137200000000, 0.0032542200000000 ] - [ -0.0867766000000000, 0.0000000000000000, -0.1181073000000000 ] - [ 0.0002457500000000, 0.0005674000000000, 0.0014393200000000 ] - [ -0.0001703900000000, -0.0007172700000000, 0.0013455100000000 ] - [ 0.0433883000000000, 0.0751507400000000, -0.1181073000000000 ] - [ 0.0008998300000000, 0.0015585600000000, -0.0004558800000000 ] - [ 0.0000235900000000, 0.0000408600000000, 0.0018137900000000 ] - [ 0.0001193200000000, 0.0000000000000000, 0.0020171000000000 ] - [ 0.0001184900000000, 0.0002052400000000, 0.0006973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004630700000000 ] - [ 0.0005738600000000, -0.0008294600000000, -0.0002590600000000 ] - [ 0.0004314100000000, 0.0009117100000000, -0.0002590600000000 ] - [ -0.0022779000000000, 0.0000022900000000, 0.0010735800000000 ] - [ 0.0001232300000000, 0.0005112600000000, -0.0019236800000000 ] - [ -0.0010052700000000, 0.0000822500000000, -0.0002590600000000 ] - [ 0.0018203900000000, 0.0030496800000000, -0.0014752700000000 ] - [ 0.0004314100000000, -0.0009117100000000, -0.0002590600000000 ] - [ 0.0001228300000000, 0.0002859200000000, 0.0009194000000000 ] - [ 0.0007063700000000, -0.0002110800000000, 0.0013455100000000 ] - [ 0.0001228300000000, -0.0002859200000000, 0.0009194000000000 ] - [ 0.0003182100000000, 0.0005511600000000, 0.0018722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3655530700000000 ] - [ 0.0011409300000000, 0.0019715700000000, 0.0010735800000000 ] - [ -0.0006142600000000, -0.0000708700000000, 0.0014393200000000 ] - [ -0.0003090300000000, -0.0000365800000000, 0.0009194000000000 ] - [ -0.0005359800000000, -0.0005061900000000, 0.0013455100000000 ] - [ 0.0000235900000000, -0.0000408600000000, 0.0018137900000000 ] - [ -0.0006142600000000, 0.0000708700000000, 0.0014393200000000 ] - [ -0.0008693200000000, 0.0015057100000000, 0.0001596200000000 ] - [ -0.0001769400000000, -0.0003064700000000, 0.0011574500000000 ] - [ -0.0012485200000000, 0.0021624900000000, -0.0005179700000000 ] - [ 0.0005590100000000, 0.0000000000000000, 0.0009457300000000 ] - [ -0.0002836500000000, 0.0004913000000000, 0.0010790700000000 ] - [ -0.0012485200000000, -0.0021624900000000, -0.0005179700000000 ] - [ 0.0005673000000000, 0.0000000000000000, 0.0010790700000000 ] - [ -0.0002795000000000, -0.0004841200000000, 0.0009457300000000 ] - [ -0.0008693200000000, -0.0015057100000000, 0.0001596200000000 ] - [ -0.0004516900000000, -0.0007823600000000, -0.0046485900000000 ] - [ 0.0017386400000000, 0.0000000000000000, 0.0001596200000000 ] - [ -0.0002836500000000, -0.0004913000000000, 0.0010790700000000 ] - [ 0.0009033900000000, 0.0000000000000000, -0.0046485900000000 ] - [ -0.0002795000000000, 0.0004841200000000, 0.0009457300000000 ] - [ -0.0004516900000000, 0.0007823600000000, -0.0046485900000000 ] - [ 0.0003538800000000, 0.0000000000000000, 0.0011574500000000 ] - [ 0.0024970300000000, 0.0000000000000000, -0.0005179700000000 ] - [ -0.0001769400000000, 0.0003064700000000, 0.0011574500000000 ]- atom: 72 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001081400000000, 0.0004250300000000, 0.0007565300000000 ] - [ -0.0000739700000000, 0.0001621800000000, 0.0001486900000000 ] - [ -0.0000016300000000, 0.0001713100000000, -0.0004686400000000 ] - [ -0.0000052500000000, -0.0001799200000000, 0.0001075700000000 ] - [ 0.0108549000000000, 0.0102122600000000, -0.0000127400000000 ] - [ 0.0021576700000000, 0.0007642400000000, 0.0009388000000000 ] - [ 0.0011069700000000, 0.0011174600000000, -0.0005269900000000 ] - [ 0.0006401300000000, 0.0017276400000000, -0.0002153700000000 ] - [ 0.0018128400000000, -0.0007494800000000, -0.0010346900000000 ] - [ -0.0017500100000000, -0.0020182900000000, -0.0064239000000000 ] - [ 0.0001029000000000, 0.0000917000000000, 0.0001171800000000 ] - [ 0.0082475800000000, -0.0061078700000000, -0.0001704100000000 ] - [ -0.0001538000000000, -0.0004243900000000, -0.0001241900000000 ] - [ 0.0018628900000000, 0.0007803900000000, -0.0009264400000000 ] - [ -0.0036106400000000, 0.0046680700000000, 0.0003383900000000 ] - [ -0.0001333700000000, -0.0001020300000000, 0.0001467400000000 ] - [ 0.0001730700000000, 0.0000545200000000, 0.0001521200000000 ] - [ 0.0001677700000000, 0.0000319200000000, 0.0001085900000000 ] - [ -0.0001623400000000, 0.0001760500000000, -0.0000321300000000 ] - [ 0.0004928000000000, 0.0000092800000000, -0.0007445200000000 ] - [ 0.0025707000000000, 0.0000682600000000, 0.0125905500000000 ] - [ -0.0000352800000000, 0.0000697900000000, 0.0002276700000000 ] - [ 0.0000386600000000, -0.0003474400000000, -0.0003333800000000 ] - [ -0.0002421200000000, -0.0000069700000000, 0.0001695300000000 ] - [ 0.0002245000000000, -0.0000753500000000, 0.0002283700000000 ] - [ 0.0004561100000000, -0.0000045300000000, -0.0007569600000000 ] - [ -0.0001493100000000, 0.0003341800000000, -0.0001411700000000 ] - [ -0.0003420800000000, -0.0008442900000000, 0.0008297700000000 ] - [ -0.0001642200000000, 0.0001552100000000, 0.0002687400000000 ] - [ -0.0001809400000000, 0.0008912000000000, 0.0007834600000000 ] - [ 0.0013364800000000, -0.0010658800000000, -0.0004141800000000 ] - [ -0.0039051700000000, -0.0043826200000000, 0.0000989500000000 ] - [ 0.0008446200000000, 0.0010694500000000, 0.0009273600000000 ] - [ 0.0013199700000000, -0.0001417300000000, -0.0105104900000000 ] - [ 0.0044102500000000, 0.0000476800000000, -0.0000114900000000 ] - [ -0.0000291800000000, -0.0000076500000000, 0.0001194000000000 ] - [ 0.0018970000000000, -0.0006389000000000, 0.0008087700000000 ] - [ 0.0007648800000000, -0.0017426300000000, -0.0002041800000000 ] - [ -0.0034968700000000, 0.0013275000000000, -0.0067659100000000 ] - [ -0.0014219800000000, 0.0013313500000000, 0.0060527100000000 ] - [ 0.0005123500000000, -0.0003358800000000, -0.0000010200000000 ] - [ 0.0000105700000000, -0.0000919000000000, 0.0001040200000000 ] - [ -0.0007497200000000, 0.0000845300000000, 0.0002449600000000 ] - [ -0.0004017800000000, 0.0012793400000000, -0.0004830600000000 ] - [ -0.0000438300000000, -0.0002317400000000, 0.0000029000000000 ] - [ 0.0008588400000000, -0.0001220600000000, 0.0002492300000000 ] - [ -0.0008705800000000, 0.0000429900000000, 0.0002833100000000 ] - [ 0.0000364800000000, 0.0000136600000000, 0.0001564500000000 ] - [ -0.0001482900000000, 0.0001662900000000, 0.0000103200000000 ] - [ 0.0003968900000000, 0.0003686300000000, 0.0001221500000000 ] - [ -0.0014167200000000, -0.0011976200000000, 0.0057977000000000 ] - [ -0.0000725900000000, -0.0002239300000000, 0.0002198000000000 ] - [ -0.0002114900000000, 0.0000542300000000, 0.0001019200000000 ] - [ 0.0078549500000000, 0.0059736800000000, -0.0002050000000000 ] - [ 0.0000646000000000, 0.0002528400000000, 0.0001112600000000 ] - [ 0.0002200700000000, 0.0000198600000000, -0.0000195100000000 ] - [ -0.0002619600000000, -0.0011990000000000, -0.0004469500000000 ] - [ -0.0003399100000000, -0.0003018700000000, 0.0007416900000000 ] - [ -0.0002151400000000, -0.0001450300000000, 0.0002195700000000 ] - [ 0.0000995900000000, 0.0000220600000000, 0.0003993500000000 ] - [ -0.0003846300000000, -0.0000357600000000, -0.0013015200000000 ] - [ 0.0107317800000000, -0.0099771300000000, -0.0007676100000000 ] - [ 0.0009801800000000, -0.0009619400000000, 0.0007036100000000 ] - [ 0.0007758500000000, -0.0003289900000000, 0.0003185700000000 ] - [ 0.0000931600000000, 0.0000594400000000, -0.0001092200000000 ] - [ 0.0084687200000000, 0.0001103500000000, -0.0056284400000000 ] - [ -0.0000864500000000, -0.0001882800000000, -0.0000842400000000 ] - [ 0.0000509700000000, 0.0013454100000000, -0.0008578100000000 ] - [ 0.0001944000000000, -0.0000038700000000, -0.0012992700000000 ] - [ -0.0031624700000000, 0.0047061600000000, -0.0034710600000000 ] - [ -0.0081456700000000, 0.0094482400000000, 0.0017545900000000 ] - [ -0.7183641500000000, -0.0007102100000000, 0.0061362900000000 ] - [ 0.0034938500000000, 0.0038071100000000, -0.0003238300000000 ] - [ -0.0003736300000000, -0.0010947800000000, -0.0008495800000000 ] - [ 0.0002882300000000, -0.0053849400000000, 0.0025116300000000 ] - [ 0.0037292800000000, -0.0039434000000000, -0.0000060700000000 ] - [ 0.0007143200000000, 0.0002656500000000, 0.0002981200000000 ] - [ -0.0013860600000000, -0.0000400400000000, 0.0001268200000000 ] - [ 0.0019571800000000, -0.0002332200000000, 0.0014543100000000 ] - [ 0.0000028300000000, -0.0000913900000000, 0.0002166300000000 ] - [ -0.0058629000000000, -0.0073794700000000, -0.0021362200000000 ] - [ 0.0072835600000000, -0.0001210600000000, 0.0037498100000000 ] - [ -0.0001059900000000, 0.0002344400000000, 0.0004732200000000 ] - [ -0.0001006300000000, 0.0000318500000000, 0.0002213400000000 ] - [ 0.0000194500000000, 0.0000458300000000, -0.0000305600000000 ] - [ -0.0000458500000000, -0.0000009600000000, -0.0003100700000000 ] - [ 0.0000450300000000, -0.0000789700000000, 0.0002788700000000 ] - [ 0.0001236600000000, -0.0002341500000000, 0.0001198200000000 ] - [ 0.0001210200000000, 0.0000277900000000, 0.0003232700000000 ] - [ -0.0001422500000000, 0.0001367100000000, -0.0000046300000000 ] - [ 0.0011809700000000, 0.0013219600000000, 0.0015758700000000 ] - [ -0.0026342200000000, -0.0018140300000000, 0.0012797700000000 ] - [ 0.0002591600000000, -0.0004674600000000, 0.0007043700000000 ] - [ -0.0001139200000000, 0.0003857100000000, 0.0003443800000000 ] - [ 0.0003011700000000, 0.0005614900000000, -0.0001697100000000 ] - [ 0.0000187000000000, -0.0000466600000000, -0.0004437400000000 ] - [ -0.0008796200000000, -0.0007170700000000, 0.0001913400000000 ] - [ -0.0003913400000000, 0.0001294900000000, 0.0002121700000000 ] - [ 0.0031053100000000, -0.0003974600000000, 0.0009518900000000 ] - [ -0.0007812900000000, -0.0000265400000000, -0.0003073100000000 ] - [ 0.0014362500000000, 0.0037868500000000, -0.0018359300000000 ] - [ 0.0002381300000000, -0.0000609100000000, -0.0000341300000000 ] - [ -0.0046019500000000, -0.0000616200000000, 0.0024726000000000 ] - [ 0.0005208900000000, 0.0008634900000000, -0.0005937800000000 ] - [ -0.0000744200000000, -0.0001084200000000, 0.0000376000000000 ] - [ -0.0027593500000000, -0.0025327700000000, 0.0002794800000000 ] - [ 0.0012828200000000, 0.0001211500000000, 0.0005770600000000 ] - [ 0.0013200300000000, -0.0075384000000000, -0.0043309800000000 ] - [ -0.0000529100000000, -0.0003041300000000, 0.0002414000000000 ] - [ -0.0006707000000000, -0.0000324400000000, -0.0006532900000000 ] - [ -0.0008908900000000, 0.0006827900000000, 0.0002085100000000 ] - [ 0.0000190000000000, -0.0001344400000000, -0.0001203400000000 ] - [ -0.0001883400000000, 0.0001442500000000, -0.0001008700000000 ] - [ 0.0011539400000000, 0.0032703200000000, -0.0015283800000000 ] - [ 0.0005313100000000, 0.0000656200000000, 0.0001351100000000 ] - [ -0.0001734200000000, -0.0000018800000000, 0.0014947800000000 ] - [ -0.0002246600000000, 0.0000494600000000, -0.0001742900000000 ] - [ 0.0001375800000000, -0.0000210200000000, 0.0000232100000000 ] - [ -0.0026848800000000, 0.0000018300000000, -0.0004692700000000 ] - [ -0.0028443100000000, 0.0017753400000000, 0.0012956500000000 ] - [ -0.0027535200000000, -0.0000138900000000, -0.0005732100000000 ] - [ -0.0002045100000000, 0.0018938200000000, -0.0001908600000000 ] - [ -0.0010166800000000, 0.0000974700000000, -0.0016308500000000 ] - [ 0.0004315600000000, 0.0000304600000000, 0.0000852700000000 ] - [ 0.0001010600000000, 0.0000516900000000, -0.0003663700000000 ] - [ -0.0005778100000000, 0.0000536400000000, -0.0004893900000000 ] - [ -0.0032450400000000, -0.0009103000000000, -0.0027836900000000 ] - [ -0.0008198800000000, 0.0011197700000000, -0.0008922000000000 ] - [ -0.0006238100000000, 0.0005154000000000, 0.0003900900000000 ] - [ -0.0001826100000000, 0.0000928300000000, 0.0002685300000000 ] - [ 0.1502920600000000, -0.1089438400000000, -0.0487421700000000 ] - [ 0.0002576900000000, 0.0004881900000000, 0.0004726200000000 ] - [ -0.0001794800000000, -0.0001385900000000, 0.0002957100000000 ] - [ 0.0006746500000000, -0.0023959200000000, 0.0018427900000000 ] - [ -0.0004090900000000, 0.0001311700000000, -0.0009948100000000 ] - [ -0.0011567200000000, 0.0000199400000000, -0.0018183000000000 ] - [ 0.0001358800000000, 0.0001956600000000, 0.0002409900000000 ] - [ 0.0002724100000000, 0.0025713500000000, -0.0000542100000000 ] - [ -0.0000681600000000, -0.0004502300000000, 0.0001235900000000 ] - [ -0.0027696600000000, 0.0026319400000000, 0.0001437200000000 ] - [ -0.0040609300000000, 0.0000159200000000, 0.0005434800000000 ] - [ -0.0044687800000000, -0.0000296500000000, 0.0034835800000000 ] - [ 0.0014124700000000, -0.0033575300000000, 0.0018215300000000 ] - [ -0.0006861100000000, -0.0025905800000000, 0.0013366400000000 ] - [ 0.0048013500000000, -0.0003499300000000, 0.0015652200000000 ] - [ 0.0002577200000000, -0.0001670600000000, 0.0002420000000000 ] - [ -0.0001600000000000, -0.0002368400000000, 0.0002047600000000 ] - [ 0.0006121600000000, -0.0031547500000000, 0.0002249700000000 ] - [ 0.1500735700000000, 0.1121307500000000, -0.0401235800000000 ] - [ 0.0000056200000000, -0.0001034400000000, -0.0003694400000000 ] - [ -0.0000565000000000, -0.0000702400000000, -0.0000985300000000 ] - [ 0.0001659400000000, 0.0001795700000000, -0.0001764500000000 ] - [ 0.0000568400000000, 0.0001456100000000, 0.0004653900000000 ] - [ 0.0002601300000000, -0.0005712200000000, -0.0002886100000000 ] - [ 0.0002264900000000, 0.0005937900000000, -0.0002873200000000 ] - [ -0.0001910100000000, -0.0018939100000000, -0.0001440000000000 ] - [ 0.0011078200000000, 0.0027137300000000, -0.0012250000000000 ] - [ -0.0008685300000000, 0.0000982700000000, -0.0005748400000000 ] - [ 0.0001919400000000, -0.0006546800000000, -0.0001691500000000 ] - [ 0.0004736800000000, -0.0006973900000000, -0.0005746000000000 ] - [ 0.0013983000000000, 0.0055309200000000, 0.0037992900000000 ] - [ -0.0001580000000000, -0.0002643700000000, -0.0000240400000000 ] - [ -0.0034364300000000, 0.0009960500000000, -0.0028708800000000 ] - [ 0.0882471100000000, 0.0002289100000000, -0.0057789700000000 ] - [ 0.0015637800000000, -0.0016695900000000, -0.0012413000000000 ] - [ 0.3172619700000000, -0.0035449900000000, 0.0884728700000000 ] - [ 0.0000109100000000, 0.0003036700000000, 0.0002430900000000 ] - [ 0.0034042200000000, 0.0006600700000000, -0.0008075100000000 ] - [ -0.0007300700000000, -0.0004358900000000, 0.0003757600000000 ] - [ -0.0001003100000000, 0.0000571800000000, -0.0000249200000000 ] - [ 0.0000201300000000, -0.0002035500000000, 0.0002680100000000 ] - [ -0.0001445700000000, 0.0000155500000000, -0.0000094700000000 ] - [ 0.0000899300000000, -0.0005889400000000, -0.0006482400000000 ] - [ -0.0066423800000000, 0.0001024800000000, -0.0028663800000000 ] - [ -0.0017986300000000, 0.0039553900000000, -0.0019349100000000 ] - [ -0.0000352700000000, -0.0000252700000000, 0.0000260600000000 ] - [ -0.0015890800000000, -0.0035292500000000, 0.0020240200000000 ] - [ -0.0000739300000000, 0.0000003400000000, 0.0000236800000000 ] - [ -0.0013491700000000, -0.0033879500000000, -0.0015377400000000 ] - [ 0.0004013100000000, 0.0000325700000000, -0.0000709800000000 ] - [ 0.0044019700000000, -0.0001974200000000, -0.0009962800000000 ] - [ -0.0002025100000000, -0.0000396700000000, -0.0000195100000000 ] - [ 0.0001114200000000, 0.0000195100000000, 0.0000230600000000 ] - [ -0.0005909900000000, 0.0000305600000000, -0.0003978900000000 ] - [ -0.0082568200000000, -0.0002220600000000, 0.0041665200000000 ] - [ -0.0005205100000000, -0.0000800900000000, -0.0002908600000000 ] - [ 0.0002684000000000, 0.0004477900000000, -0.0006500800000000 ] - [ -0.0013864700000000, 0.0030595000000000, 0.0015574300000000 ] - [ -0.0007670500000000, 0.0001268900000000, 0.0015256900000000 ]- atom: 72 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001559000000000, -0.0000007600000000, -0.0003141300000000 ] - [ -0.0000375900000000, 0.0000619500000000, 0.0001815100000000 ] - [ -0.0000519700000000, -0.0000624600000000, 0.0007655900000000 ] - [ 0.0000232100000000, -0.0000913900000000, 0.0001200500000000 ] - [ -0.0111843700000000, -0.0098446900000000, -0.0004715800000000 ] - [ -0.0023723200000000, -0.0011504800000000, -0.0009491500000000 ] - [ -0.0006554800000000, -0.0011064900000000, 0.0005127800000000 ] - [ -0.0008980700000000, -0.0021702300000000, -0.0002330300000000 ] - [ -0.0019375800000000, 0.0009979200000000, 0.0011715700000000 ] - [ 0.0014817100000000, 0.0023996900000000, 0.0063968700000000 ] - [ -0.0000879500000000, 0.0001933300000000, 0.0001048000000000 ] - [ -0.0083201300000000, 0.0055902400000000, -0.0000885600000000 ] - [ -0.0000458600000000, 0.0000158400000000, -0.0004516700000000 ] - [ -0.0018320800000000, -0.0009451500000000, 0.0014382300000000 ] - [ 0.0040229400000000, -0.0047681600000000, -0.0006072300000000 ] - [ 0.0000171500000000, -0.0000993700000000, 0.0001864800000000 ] - [ 0.0000761900000000, -0.0000392200000000, 0.0001770100000000 ] - [ 0.0000724100000000, 0.0001241900000000, 0.0001122600000000 ] - [ 0.0001318900000000, 0.0001219800000000, 0.0001378000000000 ] - [ -0.0006857900000000, 0.0004176000000000, 0.0001626300000000 ] - [ -0.0021251000000000, -0.0000740800000000, -0.0126538700000000 ] - [ 0.0003084600000000, 0.0000543700000000, -0.0001214800000000 ] - [ 0.0000160000000000, -0.0000866500000000, 0.0007729400000000 ] - [ 0.0003631300000000, 0.0000152000000000, 0.0001247700000000 ] - [ 0.0000524100000000, 0.0000823000000000, 0.0003659400000000 ] - [ -0.0007070900000000, -0.0003686800000000, 0.0001755200000000 ] - [ 0.0000411100000000, -0.0001284700000000, -0.0001825600000000 ] - [ 0.0001898700000000, 0.0007950200000000, -0.0003255500000000 ] - [ 0.0005032800000000, 0.0000987900000000, 0.0001684400000000 ] - [ 0.0001964800000000, -0.0007360800000000, -0.0002829700000000 ] - [ -0.0005883100000000, 0.0010456000000000, 0.0004507100000000 ] - [ 0.0043980600000000, 0.0043827400000000, -0.0005523500000000 ] - [ -0.0007170800000000, -0.0009681400000000, -0.0004237500000000 ] - [ -0.0012237900000000, 0.0000369600000000, 0.0111006600000000 ] - [ -0.0039714000000000, 0.0000575800000000, -0.0002604500000000 ] - [ -0.0002147200000000, -0.0001113400000000, 0.0001066900000000 ] - [ -0.0022735000000000, 0.0012847100000000, -0.0007717600000000 ] - [ -0.0008914500000000, 0.0021670600000000, -0.0000649800000000 ] - [ 0.0030789900000000, -0.0019764200000000, 0.0067869300000000 ] - [ 0.0012651900000000, -0.0015351700000000, -0.0059098600000000 ] - [ -0.0000404600000000, 0.0003819200000000, -0.0005757000000000 ] - [ 0.0002172700000000, -0.0000891000000000, 0.0001188500000000 ] - [ 0.0006405600000000, -0.0002721800000000, -0.0005723800000000 ] - [ 0.0001766800000000, -0.0008888400000000, 0.0004718500000000 ] - [ 0.0000125700000000, -0.0000745800000000, 0.0000913700000000 ] - [ -0.0005139000000000, -0.0001282600000000, 0.0001928700000000 ] - [ 0.0005826600000000, 0.0003204700000000, -0.0008520900000000 ] - [ -0.0002861100000000, -0.0001941800000000, -0.0000613300000000 ] - [ -0.0000897500000000, 0.0000103300000000, 0.0000930100000000 ] - [ -0.0001646100000000, -0.0003601600000000, -0.0004474100000000 ] - [ 0.0012346200000000, 0.0012322300000000, -0.0052890600000000 ] - [ -0.0003157300000000, 0.0003947600000000, 0.0002175500000000 ] - [ -0.0000593100000000, 0.0000530700000000, 0.0001204900000000 ] - [ -0.0081019600000000, -0.0055765100000000, -0.0000624100000000 ] - [ -0.0001322900000000, -0.0003695500000000, 0.0001774600000000 ] - [ 0.0000516600000000, -0.0001366200000000, 0.0001217800000000 ] - [ 0.0000397100000000, 0.0008173100000000, 0.0004396300000000 ] - [ -0.0000668200000000, 0.0001281500000000, -0.0003021300000000 ] - [ 0.0000752900000000, -0.0000957500000000, 0.0003736700000000 ] - [ -0.0002306800000000, 0.0002221200000000, 0.0001934400000000 ] - [ 0.0008368500000000, -0.0000309200000000, 0.0007241600000000 ] - [ -0.0111185900000000, 0.0097166200000000, 0.0004810200000000 ] - [ -0.0007091100000000, 0.0009659200000000, -0.0005723900000000 ] - [ -0.0007235000000000, 0.0002447900000000, 0.0002783000000000 ] - [ -0.0001603200000000, 0.0000534700000000, 0.0003496800000000 ] - [ -0.0084391100000000, -0.0001140400000000, 0.0057050400000000 ] - [ 0.0000872800000000, 0.0001868500000000, -0.0009045000000000 ] - [ 0.0002240600000000, -0.0008584800000000, 0.0007627400000000 ] - [ -0.0001964400000000, 0.0000042400000000, 0.0003018400000000 ] - [ 0.0031943100000000, -0.0047112100000000, 0.0043638700000000 ] - [ 0.0081808000000000, -0.0094382500000000, -0.0024165200000000 ] - [ 0.7384125200000000, 0.0006159400000000, 0.0082538200000000 ] - [ -0.0039504700000000, -0.0038305100000000, -0.0001556900000000 ] - [ -0.0002003400000000, 0.0010960100000000, 0.0007545900000000 ] - [ -0.0002781000000000, 0.0053555600000000, -0.0023461500000000 ] - [ -0.0034880700000000, 0.0035630700000000, -0.0004747900000000 ] - [ -0.0008172000000000, -0.0002725600000000, 0.0002984900000000 ] - [ 0.0014467000000000, 0.0001375300000000, 0.0004641200000000 ] - [ -0.0016602300000000, -0.0002573800000000, -0.0015490500000000 ] - [ 0.0001282400000000, 0.0000893100000000, 0.0000215000000000 ] - [ 0.0059271000000000, 0.0073915500000000, 0.0015362700000000 ] - [ -0.0072666600000000, 0.0001311100000000, -0.0043056900000000 ] - [ 0.0001076000000000, -0.0002317000000000, 0.0002360900000000 ] - [ 0.0000319500000000, -0.0001491400000000, 0.0000185100000000 ] - [ -0.0000213900000000, -0.0000495100000000, -0.0002088400000000 ] - [ 0.0000439800000000, -0.0000022000000000, 0.0000685800000000 ] - [ -0.0000435300000000, 0.0000826800000000, 0.0000474100000000 ] - [ -0.0000091700000000, 0.0000387600000000, 0.0001291900000000 ] - [ 0.0003050200000000, 0.0001486100000000, 0.0002240200000000 ] - [ 0.0007670500000000, -0.0001389300000000, 0.0004268200000000 ] - [ -0.0011899000000000, -0.0013268000000000, -0.0005050300000000 ] - [ 0.0028246800000000, 0.0020782500000000, -0.0019121900000000 ] - [ -0.0000973300000000, 0.0007415400000000, -0.0007997400000000 ] - [ -0.0001886400000000, -0.0003765300000000, -0.0004354800000000 ] - [ -0.0000299400000000, -0.0004080500000000, -0.0003300400000000 ] - [ -0.0000205700000000, 0.0000436100000000, -0.0003787400000000 ] - [ 0.0009612900000000, 0.0007184000000000, 0.0002609700000000 ] - [ -0.0001106300000000, 0.0002623000000000, 0.0001623700000000 ] - [ -0.0020110000000000, 0.0003965700000000, -0.0001439500000000 ] - [ -0.0008794200000000, -0.0000263800000000, -0.0006601800000000 ] - [ -0.0012473200000000, -0.0040472000000000, 0.0011695700000000 ] - [ -0.0003321200000000, -0.0000997700000000, -0.0001565600000000 ] - [ 0.0042561100000000, 0.0000977400000000, -0.0030949200000000 ] - [ 0.0003491400000000, 0.0005461700000000, -0.0003764900000000 ] - [ -0.0001520400000000, 0.0001099400000000, 0.0002113500000000 ] - [ 0.0030308700000000, 0.0029901900000000, -0.0005261300000000 ] - [ -0.0007250600000000, 0.0001194600000000, -0.0002014700000000 ] - [ -0.0014614700000000, 0.0077549800000000, 0.0043394500000000 ] - [ -0.0000790200000000, 0.0000741800000000, -0.0006161900000000 ] - [ 0.0006637300000000, 0.0003411800000000, 0.0001560400000000 ] - [ 0.0008434600000000, -0.0006183000000000, 0.0002435600000000 ] - [ 0.0002088900000000, -0.0002532600000000, -0.0002173400000000 ] - [ 0.0000939300000000, 0.0000030000000000, -0.0000931100000000 ] - [ -0.0011679200000000, -0.0032543000000000, 0.0015037000000000 ] - [ -0.0006023500000000, 0.0005414800000000, 0.0002440500000000 ] - [ 0.0001709200000000, -0.0000021000000000, 0.0001387500000000 ] - [ -0.0002242900000000, -0.0000454300000000, -0.0001626800000000 ] - [ -0.0000254800000000, 0.0002151200000000, 0.0002241700000000 ] - [ 0.0024678100000000, -0.0000009500000000, 0.0001339700000000 ] - [ 0.0029720700000000, -0.0020682900000000, -0.0019252800000000 ] - [ 0.0022278200000000, 0.0000117000000000, 0.0003271500000000 ] - [ 0.0004485300000000, -0.0014520200000000, -0.0000513200000000 ] - [ 0.0007460300000000, 0.0000674700000000, 0.0011252800000000 ] - [ -0.0007446000000000, -0.0005754300000000, 0.0003454500000000 ] - [ 0.0000294300000000, -0.0000457700000000, -0.0001534200000000 ] - [ 0.0007328600000000, -0.0003142200000000, 0.0003977600000000 ] - [ 0.0031487600000000, 0.0007640800000000, 0.0030756400000000 ] - [ 0.0004735000000000, -0.0011500500000000, 0.0002410100000000 ] - [ 0.0003072100000000, 0.0000201200000000, 0.0000313200000000 ] - [ -0.0001873900000000, 0.0001848900000000, 0.0002802300000000 ] - [ -0.1488724200000000, 0.1039498900000000, 0.0464334700000000 ] - [ 0.0000206100000000, -0.0006340800000000, -0.0009753000000000 ] - [ -0.0001736500000000, -0.0001337600000000, 0.0002496700000000 ] - [ -0.0012344400000000, 0.0033714700000000, -0.0010392300000000 ] - [ 0.0002760800000000, 0.0001089100000000, 0.0006236100000000 ] - [ 0.0011534500000000, -0.0000213700000000, 0.0028653200000000 ] - [ 0.0001384300000000, -0.0001890400000000, -0.0006125200000000 ] - [ -0.0003663100000000, -0.0024199800000000, 0.0003697600000000 ] - [ -0.0001917000000000, 0.0002920100000000, -0.0006201800000000 ] - [ 0.0028689000000000, -0.0028321300000000, -0.0004783000000000 ] - [ 0.0042301700000000, -0.0000139200000000, -0.0002337000000000 ] - [ 0.0044346100000000, 0.0000322800000000, -0.0034561600000000 ] - [ -0.0014269200000000, 0.0033610800000000, -0.0026926500000000 ] - [ 0.0001297200000000, 0.0016348200000000, -0.0005302000000000 ] - [ -0.0045696700000000, 0.0003293500000000, -0.0015764900000000 ] - [ 0.0001682800000000, -0.0000149500000000, 0.0003067800000000 ] - [ 0.0000853700000000, -0.0003855100000000, 0.0001698300000000 ] - [ -0.0007444200000000, 0.0029311100000000, -0.0002153100000000 ] - [ -0.1488382000000000, -0.1073147900000000, 0.0380857300000000 ] - [ -0.0000649100000000, 0.0000000100000000, -0.0001502000000000 ] - [ 0.0002319200000000, 0.0000639400000000, -0.0000958600000000 ] - [ 0.0000600600000000, 0.0002115900000000, -0.0001622400000000 ] - [ -0.0000591600000000, -0.0001495400000000, 0.0011603400000000 ] - [ 0.0006060800000000, -0.0008446600000000, -0.0006794300000000 ] - [ 0.0005587300000000, 0.0008631000000000, -0.0006808400000000 ] - [ 0.0004533900000000, 0.0014589300000000, -0.0000985800000000 ] - [ -0.0009643900000000, -0.0023896100000000, 0.0005718700000000 ] - [ -0.0007918700000000, -0.0000561900000000, -0.0003950700000000 ] - [ -0.0001943900000000, 0.0003474800000000, -0.0003300500000000 ] - [ 0.0003116000000000, -0.0007688000000000, -0.0003948900000000 ] - [ -0.0015003100000000, -0.0056984900000000, -0.0034931100000000 ] - [ 0.0007444900000000, 0.0000226100000000, 0.0003967300000000 ] - [ 0.0033359900000000, -0.0008624100000000, 0.0031645000000000 ] - [ -0.0882783600000000, -0.0002529100000000, 0.0045773600000000 ] - [ -0.0015719900000000, 0.0016630800000000, 0.0011475900000000 ] - [ -0.3396991000000000, 0.0038637200000000, -0.0980734800000000 ] - [ -0.0000716200000000, 0.0001531200000000, 0.0003047600000000 ] - [ -0.0032685300000000, -0.0006539000000000, 0.0011435500000000 ] - [ 0.0002306200000000, 0.0000659500000000, -0.0000039400000000 ] - [ 0.0000398600000000, 0.0000585100000000, -0.0004961300000000 ] - [ -0.0000798800000000, -0.0002371800000000, 0.0002778500000000 ] - [ 0.0001857800000000, -0.0001008200000000, -0.0000348400000000 ] - [ -0.0002015700000000, 0.0003884200000000, 0.0008409000000000 ] - [ 0.0066230600000000, -0.0001232000000000, 0.0030365200000000 ] - [ 0.0013548600000000, -0.0039429500000000, 0.0022679600000000 ] - [ 0.0000606700000000, -0.0000203800000000, 0.0000187600000000 ] - [ 0.0016123100000000, 0.0035217400000000, -0.0018670800000000 ] - [ 0.0000214300000000, -0.0000007200000000, 0.0000199300000000 ] - [ 0.0015972500000000, 0.0037878300000000, 0.0018694200000000 ] - [ -0.0003585600000000, 0.0000398400000000, 0.0000174100000000 ] - [ -0.0043757900000000, 0.0002278600000000, 0.0002597000000000 ] - [ 0.0001079600000000, 0.0000342600000000, -0.0000247700000000 ] - [ -0.0000866800000000, 0.0000233100000000, 0.0000186900000000 ] - [ 0.0005749500000000, -0.0000192400000000, -0.0003116800000000 ] - [ 0.0085338200000000, -0.0001732100000000, -0.0038484700000000 ] - [ 0.0005314200000000, 0.0000676300000000, -0.0004193700000000 ] - [ -0.0000281400000000, -0.0004440900000000, 0.0008408500000000 ] - [ 0.0013878700000000, -0.0030648800000000, -0.0013958400000000 ] - [ 0.0006492500000000, 0.0000799000000000, -0.0013416000000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011876100000000, 0.0008534200000000, 0.0011857700000000 ] - [ -0.0000541600000000, 0.0000928400000000, 0.0010992800000000 ] - [ -0.0012706900000000, -0.0005926100000000, 0.0011862300000000 ] - [ 0.0000351500000000, -0.0000863700000000, 0.0010401900000000 ] - [ 0.0025464200000000, 0.0029139600000000, -0.0041301600000000 ] - [ 0.0003609700000000, 0.0001585100000000, -0.0000932400000000 ] - [ -0.0002402300000000, -0.0002097500000000, -0.0001336900000000 ] - [ -0.0004256300000000, -0.0007372100000000, -0.0021138500000000 ] - [ -0.0006713300000000, 0.0004350800000000, -0.0011980700000000 ] - [ -0.0030281100000000, 0.0048829200000000, 0.0054674600000000 ] - [ 0.0000407900000000, 0.0000983100000000, 0.0010381400000000 ] - [ -0.0033972700000000, 0.0008699000000000, -0.0042191800000000 ] - [ -0.0001137100000000, -0.0002852600000000, 0.0005340600000000 ] - [ -0.0006374400000000, -0.0003901500000000, -0.0010249400000000 ] - [ 0.0007384900000000, -0.0031392000000000, -0.0037188600000000 ] - [ -0.0003265000000000, -0.0005655100000000, 0.0016830500000000 ] - [ 0.0001074800000000, -0.0000004800000000, 0.0010992800000000 ] - [ 0.0000647400000000, 0.0000844800000000, 0.0010381400000000 ] - [ 0.0000211100000000, 0.0001458500000000, 0.0013478300000000 ] - [ -0.0001673900000000, 0.0002682300000000, 0.0005402400000000 ] - [ 0.0057427900000000, -0.0001809600000000, 0.0054674600000000 ] - [ 0.0001157600000000, 0.0000912100000000, 0.0013478300000000 ] - [ -0.0011058200000000, 0.0004825600000000, 0.0012060200000000 ] - [ 0.0001221300000000, -0.0013967600000000, 0.0011862300000000 ] - [ 0.0000560900000000, 0.0000039400000000, 0.0013250100000000 ] - [ -0.0001901900000000, -0.0002411100000000, 0.0005340600000000 ] - [ -0.0001127200000000, 0.0003225000000000, 0.0006876200000000 ] - [ -0.0000191600000000, -0.0007471100000000, -0.0010249400000000 ] - [ 0.0001452800000000, 0.0014552100000000, 0.0011857700000000 ] - [ 0.0000557600000000, 0.0007463500000000, -0.0009775600000000 ] - [ -0.0001087100000000, 0.0001335800000000, -0.0001433900000000 ] - [ 0.0012503500000000, 0.0036622500000000, -0.0041301600000000 ] - [ 0.0006184800000000, 0.0004214700000000, -0.0009775600000000 ] - [ -0.0145728700000000, 0.0003916300000000, 0.0037525700000000 ] - [ 0.0004551500000000, 0.0000668600000000, -0.0022153400000000 ] - [ -0.0000923700000000, -0.0000127400000000, 0.0010401900000000 ] - [ 0.0001700400000000, -0.0000273500000000, -0.0001433900000000 ] - [ -0.0001696700000000, 0.0004276000000000, -0.0022153400000000 ] - [ -0.0034449900000000, -0.0059668900000000, 0.0067056400000000 ] - [ 0.0074073400000000, 0.0128298900000000, 0.0027025200000000 ] - [ 0.0003159800000000, -0.0000108500000000, 0.0005402400000000 ] - [ 0.0005597700000000, -0.0000953400000000, 0.0016442700000000 ] - [ 0.0002902000000000, 0.0005026400000000, 0.0016764200000000 ] - [ -0.0000615300000000, -0.0003129200000000, -0.0001336900000000 ] - [ 0.0000529600000000, -0.0000902500000000, 0.0010909300000000 ] - [ 0.0001599500000000, -0.0001211000000000, 0.0006892400000000 ] - [ 0.0002061800000000, -0.0005503800000000, 0.0015003500000000 ] - [ -0.0001046400000000, 0.0000007400000000, 0.0010909300000000 ] - [ -0.0001021800000000, 0.0000057000000000, 0.0010855400000000 ] - [ 0.0003356500000000, 0.0000636300000000, 0.0006876200000000 ] - [ 0.0076256000000000, -0.0124246600000000, 0.0037525700000000 ] - [ -0.0001848400000000, 0.0000779700000000, 0.0006892400000000 ] - [ -0.0003624500000000, 0.0004371000000000, 0.0016442700000000 ] - [ -0.0030878700000000, -0.0009300500000000, -0.0037188600000000 ] - [ -0.0000092700000000, -0.0000160600000000, 0.0005270200000000 ] - [ 0.0000560300000000, -0.0000856400000000, 0.0010855400000000 ] - [ -0.0000432100000000, 0.0003918600000000, -0.0000932400000000 ] - [ 0.0009708200000000, -0.0007163900000000, 0.0012060200000000 ] - [ -0.0000643800000000, -0.0001115100000000, 0.0015640900000000 ] - [ -0.0000246300000000, 0.0000505400000000, 0.0013250100000000 ] - [ -0.0005797300000000, -0.0000966300000000, 0.0015003500000000 ] - [ 0.0024519900000000, -0.0025071700000000, -0.0042191800000000 ] - [ 0.0007124500000000, -0.0003638500000000, -0.0011980700000000 ] - [ -0.0000188000000000, -0.0000945500000000, 0.0016022600000000 ] - [ -0.0005762600000000, 0.0000455900000000, 0.0031329600000000 ] - [ -0.0061454500000000, -0.0002666700000000, -0.0004861700000000 ] - [ 0.0000221200000000, -0.0000513200000000, 0.0025896800000000 ] - [ -0.0005827900000000, -0.0010094100000000, 0.0029900800000000 ] - [ -0.0000555000000000, -0.0000065000000000, 0.0025896800000000 ] - [ -0.0042930300000000, -0.0074357500000000, -0.0078878500000000 ] - [ 0.0023333800000000, 0.0040415300000000, 0.0021072200000000 ] - [ -0.0002835300000000, -0.0004910800000000, -0.7297897400000000 ] - [ -0.0003833700000000, 0.0001844700000000, -0.0056142000000000 ] - [ -0.0011002800000000, 0.0013059500000000, 0.0029936700000000 ] - [ 0.0028417800000000, -0.0054554500000000, -0.0004861700000000 ] - [ 0.0003514400000000, -0.0002397700000000, -0.0056142000000000 ] - [ -0.0000724800000000, -0.0000635600000000, 0.0016022600000000 ] - [ 0.0001149800000000, 0.0001991400000000, 0.0104367600000000 ] - [ 0.0016811200000000, -0.0002999000000000, 0.0029936700000000 ] - [ 0.0003276100000000, -0.0004762600000000, 0.0031329600000000 ] - [ -0.0030492800000000, 0.0057755500000000, -0.0005636100000000 ] - [ 0.0065264100000000, 0.0002470200000000, -0.0005636100000000 ] - [ 0.0001099900000000, 0.0001905100000000, 0.0036597300000000 ] - [ 0.0002470000000000, 0.0004278200000000, 0.0031253100000000 ] - [ 0.0001758500000000, -0.0003119400000000, -0.0009028600000000 ] - [ -0.0003580700000000, -0.0000036800000000, -0.0009028600000000 ] - [ 0.0002566700000000, 0.0004445600000000, -0.0006470000000000 ] - [ -0.0001322000000000, 0.0001540900000000, -0.0009790400000000 ] - [ 0.0005113300000000, 0.0005205200000000, -0.0007884200000000 ] - [ 0.0000430900000000, 0.0000733700000000, -0.0000795600000000 ] - [ 0.0005663300000000, -0.0010629700000000, 0.0008560500000000 ] - [ 0.0015273800000000, 0.0012004600000000, -0.0005214500000000 ] - [ 0.0007774300000000, 0.0013465500000000, -0.0015510300000000 ] - [ -0.0000588700000000, -0.0002383600000000, -0.0009004200000000 ] - [ 0.0003201700000000, -0.0001498900000000, -0.0011098700000000 ] - [ -0.0000035300000000, -0.0000061200000000, -0.0025961700000000 ] - [ 0.0001350200000000, -0.0000269800000000, 0.0036403300000000 ] - [ -0.0001761600000000, -0.0000631300000000, -0.0000935900000000 ] - [ 0.0034336300000000, 0.0038882700000000, 0.0020163300000000 ] - [ -0.0011362100000000, -0.0000276800000000, -0.0016371400000000 ] - [ -0.0019404400000000, 0.0037365400000000, -0.0010764000000000 ] - [ -0.0000482000000000, -0.0000834900000000, -0.0053233100000000 ] - [ 0.0042061600000000, 0.0001878000000000, -0.0010764000000000 ] - [ 0.0006332700000000, 0.0010372100000000, -0.0015646600000000 ] - [ 0.0001995500000000, -0.0000374400000000, -0.0009790400000000 ] - [ -0.0003489300000000, -0.0004816800000000, 0.0016211600000000 ] - [ 0.0004305600000000, 0.0001025000000000, -0.0041115300000000 ] - [ -0.0011456500000000, -0.0023006000000000, -0.0012527200000000 ] - [ 0.0000589400000000, 0.0001020900000000, -0.0022422300000000 ] - [ -0.0002898900000000, 0.0002023300000000, -0.0011098700000000 ] - [ -0.0000908700000000, 0.0001034400000000, 0.0036403300000000 ] - [ 0.0004339800000000, -0.0006311000000000, -0.0012459400000000 ] - [ -0.0000398200000000, 0.0000820400000000, -0.0011417700000000 ] - [ -0.0011235500000000, 0.0021879700000000, 0.0009481900000000 ] - [ -0.0001265100000000, 0.0004241200000000, -0.0041115300000000 ] - [ 0.0001101300000000, 0.0000043200000000, -0.0012733700000000 ] - [ -0.0007635400000000, 0.0000602800000000, -0.0012459400000000 ] - [ -0.0002036200000000, -0.0003526900000000, -0.0011332800000000 ] - [ 0.0006469400000000, -0.0001720100000000, 0.0015783300000000 ] - [ 0.0015576900000000, -0.0010805000000000, -0.0005105700000000 ] - [ 0.0003896700000000, 0.0002244900000000, 0.0015578700000000 ] - [ -0.0002426800000000, -0.0005430200000000, 0.0016211600000000 ] - [ -0.0015102600000000, 0.0001296400000000, -0.0017417800000000 ] - [ -0.0003191900000000, -0.0005528600000000, -0.0039681200000000 ] - [ -0.0001182000000000, 0.0003268000000000, -0.0022376200000000 ] - [ -0.0001769900000000, -0.0001701700000000, -0.0009004200000000 ] - [ -0.0041167400000000, 0.0002848000000000, 0.0012111900000000 ] - [ -0.0017145900000000, 0.0008087500000000, -0.0005105700000000 ] - [ 0.0000420000000000, 0.0000740000000000, -0.0000795600000000 ] - [ -0.0007063800000000, 0.0000615400000000, -0.0007859600000000 ] - [ -0.0470255300000000, 0.0785163200000000, 0.1219756900000000 ] - [ 0.0008674000000000, -0.0012431100000000, -0.0017417800000000 ] - [ -0.0001111500000000, -0.0001244300000000, -0.0008609700000000 ] - [ 0.0016505300000000, 0.0049177400000000, 0.0020163300000000 ] - [ -0.0003784500000000, 0.0001551200000000, -0.0022896600000000 ] - [ -0.0012037300000000, -0.0000410300000000, 0.0008560500000000 ] - [ 0.0003235600000000, -0.0002501800000000, -0.0022896600000000 ] - [ 0.0013986100000000, -0.0025613000000000, 0.0017002700000000 ] - [ -0.0000259100000000, 0.0001260100000000, -0.0010797500000000 ] - [ -0.0004724400000000, 0.0004742600000000, 0.0015783300000000 ] - [ -0.0029174600000000, -0.0000694200000000, 0.0017002700000000 ] - [ 0.0024566200000000, 0.0001209600000000, 0.0009481900000000 ] - [ 0.0004025600000000, 0.0006972500000000, 0.0058810800000000 ] - [ 0.0009257200000000, 0.0016034000000000, 0.0018477400000000 ] - [ -0.0014195500000000, -0.0021424600000000, -0.0012527200000000 ] - [ 0.0004064900000000, -0.0005809800000000, -0.0007859600000000 ] - [ 0.0000513000000000, 0.0000072000000000, -0.0001267000000000 ] - [ -0.0010152100000000, -0.0017583900000000, 0.0004844100000000 ] - [ -0.0385564300000000, -0.0667816900000000, 0.1115522600000000 ] - [ -0.0002190300000000, -0.0003793700000000, -0.0022313200000000 ] - [ 0.0000909600000000, 0.0000065300000000, -0.0011417700000000 ] - [ 0.0000855800000000, 0.0001482300000000, -0.0013057600000000 ] - [ -0.0000513300000000, 0.0000975300000000, -0.0012733700000000 ] - [ 0.0006297700000000, -0.0010367800000000, -0.0015642900000000 ] - [ 0.0005816100000000, 0.0010670400000000, -0.0015646600000000 ] - [ -0.0000004200000000, 0.0004497100000000, 0.0015578700000000 ] - [ 0.0002759400000000, 0.0019229800000000, -0.0005214500000000 ] - [ -0.0012127700000000, 0.0000270100000000, -0.0015642900000000 ] - [ 0.0001220800000000, 0.0000405700000000, -0.0010797500000000 ] - [ 0.0005441300000000, -0.0009978200000000, -0.0016371400000000 ] - [ 0.0023050100000000, -0.0034228100000000, 0.0012111900000000 ] - [ 0.0000334100000000, -0.0001841300000000, -0.0000935900000000 ] - [ -0.0039388300000000, -0.0004753400000000, 0.0012574800000000 ] - [ -0.0052602200000000, -0.0091109600000000, 0.3643674200000000 ] - [ -0.0003838100000000, -0.0006647800000000, -0.0017875600000000 ] - [ 0.0915098900000000, -0.0014671400000000, 0.1219756900000000 ] - [ 0.0001951100000000, 0.0007030900000000, -0.0007884200000000 ] - [ 0.0015577600000000, -0.0036488000000000, 0.0012574800000000 ] - [ -0.0000194200000000, 0.0000480300000000, -0.0001267000000000 ] - [ 0.0003421200000000, 0.0000610400000000, -0.0022376200000000 ] - [ -0.0000521800000000, -0.0001584700000000, -0.0008609700000000 ] - [ 0.0000055000000000, -0.0000277700000000, -0.0008516400000000 ] - [ -0.0009423500000000, -0.0016322000000000, -0.0000661300000000 ] - [ -0.0020007300000000, 0.0000316900000000, 0.0001694500000000 ] - [ 0.0002546800000000, -0.0009814600000000, 0.0047964800000000 ] - [ 0.0000019100000000, -0.0000048000000000, -0.0009271500000000 ] - [ 0.0008500700000000, 0.0014723700000000, 0.0002418900000000 ] - [ -0.0000051100000000, -0.0000007500000000, -0.0009271500000000 ] - [ 0.0006709600000000, 0.0011621400000000, 0.0038356000000000 ] - [ 0.0000437000000000, 0.0000756900000000, -0.0017403900000000 ] - [ -0.0000430900000000, -0.0000746400000000, -0.0060915100000000 ] - [ -0.0000268000000000, -0.0000091200000000, -0.0008516400000000 ] - [ 0.0000075700000000, 0.0000131200000000, -0.0014775300000000 ] - [ -0.0000226000000000, -0.0000319000000000, -0.0005859100000000 ] - [ -0.0009773100000000, -0.0002701700000000, 0.0047964800000000 ] - [ -0.0000163200000000, -0.0000355200000000, -0.0005859100000000 ] - [ -0.0007765700000000, 0.0015041000000000, -0.0000267700000000 ] - [ 0.0010278100000000, -0.0017168400000000, 0.0001694500000000 ] - [ 0.0016908800000000, 0.0000795200000000, -0.0000267700000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011370100000000, -0.0004323200000000, -0.0007578300000000 ] - [ -0.0000563800000000, 0.0001297000000000, -0.0007664800000000 ] - [ 0.0012173200000000, 0.0006999700000000, -0.0009082200000000 ] - [ -0.0000156300000000, -0.0001857900000000, -0.0007941500000000 ] - [ -0.0027961300000000, -0.0024752400000000, 0.0037164900000000 ] - [ -0.0005843500000000, -0.0005433500000000, 0.0000919700000000 ] - [ 0.0006957300000000, 0.0002144200000000, 0.0001275800000000 ] - [ 0.0001664800000000, 0.0002883500000000, 0.0016866100000000 ] - [ 0.0005483300000000, -0.0001969800000000, 0.0013182500000000 ] - [ 0.0028323500000000, -0.0045540600000000, -0.0055309200000000 ] - [ -0.0000249100000000, 0.0001882900000000, -0.0007976600000000 ] - [ 0.0032619900000000, -0.0013057600000000, 0.0039907400000000 ] - [ -0.0000832700000000, -0.0001172300000000, -0.0011234100000000 ] - [ 0.0006721800000000, 0.0002362600000000, 0.0015245900000000 ] - [ -0.0003127500000000, 0.0030354400000000, 0.0034823000000000 ] - [ 0.0002101000000000, 0.0003639000000000, -0.0013456800000000 ] - [ 0.0001405200000000, 0.0000160200000000, -0.0007664800000000 ] - [ 0.0001755200000000, 0.0000725700000000, -0.0007976600000000 ] - [ -0.0000517600000000, 0.0001509300000000, -0.0012416700000000 ] - [ -0.0000249900000000, 0.0001577200000000, -0.0011302100000000 ] - [ -0.0053601100000000, 0.0001758600000000, -0.0055309200000000 ] - [ 0.0001565800000000, 0.0000306400000000, -0.0012416700000000 ] - [ 0.0011586300000000, -0.0009173500000000, -0.0007814600000000 ] - [ -0.0000024700000000, 0.0014042200000000, -0.0009082200000000 ] - [ 0.0002246400000000, 0.0000038800000000, -0.0007377900000000 ] - [ -0.0000598900000000, -0.0001307300000000, -0.0011234100000000 ] - [ 0.0000051700000000, -0.0001192500000000, -0.0010244900000000 ] - [ -0.0001314800000000, 0.0007002600000000, 0.0015245900000000 ] - [ 0.0001941000000000, -0.0012008400000000, -0.0007578300000000 ] - [ -0.0000364000000000, -0.0005914800000000, 0.0014758300000000 ] - [ 0.0008590700000000, -0.0001456900000000, 0.0001901000000000 ] - [ -0.0007455500000000, -0.0036591400000000, 0.0037164900000000 ] - [ -0.0004940300000000, -0.0003272600000000, 0.0014758300000000 ] - [ 0.0145972500000000, -0.0004987700000000, -0.0031982400000000 ] - [ -0.0000136700000000, 0.0000367000000000, 0.0019639600000000 ] - [ -0.0001530800000000, -0.0001064300000000, -0.0007941500000000 ] - [ -0.0005557000000000, 0.0006711300000000, 0.0001901000000000 ] - [ 0.0000386200000000, 0.0000065100000000, 0.0019639600000000 ] - [ 0.0031090000000000, 0.0053849500000000, -0.0067471900000000 ] - [ -0.0074804700000000, -0.0129565500000000, -0.0025182300000000 ] - [ 0.0001490800000000, 0.0000572200000000, -0.0011302100000000 ] - [ -0.0003305500000000, -0.0000873700000000, -0.0014032500000000 ] - [ -0.0004048500000000, -0.0007012200000000, -0.0020320000000000 ] - [ -0.0001621700000000, 0.0007097400000000, 0.0001275800000000 ] - [ -0.0000864000000000, -0.0002158900000000, -0.0009921700000000 ] - [ 0.0001826400000000, -0.0001286500000000, -0.0002636700000000 ] - [ -0.0004968800000000, 0.0009224100000000, -0.0020996000000000 ] - [ -0.0001437700000000, -0.0001827700000000, -0.0009921700000000 ] - [ -0.0001339700000000, 0.0001727800000000, -0.0009789600000000 ] - [ -0.0001058600000000, -0.0000551500000000, -0.0010244900000000 ] - [ -0.0077305800000000, 0.0123922000000000, -0.0031982400000000 ] - [ -0.0002027300000000, 0.0000938500000000, -0.0002636700000000 ] - [ 0.0000896100000000, -0.0003299500000000, -0.0014032500000000 ] - [ 0.0027851400000000, 0.0012468700000000, 0.0034823000000000 ] - [ -0.0000576000000000, -0.0000997600000000, -0.0002554500000000 ] - [ 0.0002166200000000, -0.0000296300000000, -0.0009789600000000 ] - [ -0.0001783800000000, -0.0007777400000000, 0.0000919700000000 ] - [ -0.0013737700000000, 0.0005447300000000, -0.0007814600000000 ] - [ -0.0000754300000000, -0.0001306500000000, -0.0009805000000000 ] - [ -0.0001089600000000, 0.0001964900000000, -0.0007377900000000 ] - [ 0.0010472700000000, 0.0000308900000000, -0.0020996000000000 ] - [ -0.0027618200000000, 0.0021720900000000, 0.0039907400000000 ] - [ -0.0004447500000000, 0.0003763800000000, 0.0013182500000000 ] - [ 0.0000711900000000, 0.0000030200000000, -0.0010181100000000 ] - [ 0.0005069700000000, 0.0000686400000000, -0.0029129200000000 ] - [ 0.0062041700000000, 0.0002623800000000, 0.0006999000000000 ] - [ -0.0000227700000000, 0.0000528800000000, -0.0035960500000000 ] - [ 0.0008718600000000, 0.0015101000000000, -0.0031012100000000 ] - [ 0.0000571800000000, 0.0000067200000000, -0.0035960500000000 ] - [ 0.0043011800000000, 0.0074498600000000, 0.0087592400000000 ] - [ -0.0023441400000000, -0.0040601600000000, -0.0027785500000000 ] - [ 0.0016241500000000, 0.0028131100000000, 0.7012862399999999 ] - [ -0.0000829400000000, -0.0001833500000000, 0.0051490100000000 ] - [ 0.0005444600000000, -0.0013214300000000, -0.0031042700000000 ] - [ -0.0028748600000000, 0.0055041600000000, 0.0006999000000000 ] - [ -0.0001173100000000, -0.0001635000000000, 0.0051490100000000 ] - [ -0.0000329800000000, 0.0000631700000000, -0.0010181100000000 ] - [ -0.0000594600000000, -0.0001029800000000, -0.0098534900000000 ] - [ -0.0014166200000000, -0.0001892000000000, -0.0031042700000000 ] - [ -0.0001940400000000, 0.0004733600000000, -0.0029129200000000 ] - [ 0.0030668700000000, -0.0057917000000000, -0.0000290000000000 ] - [ -0.0065491900000000, -0.0002398600000000, -0.0000290000000000 ] - [ -0.0001111100000000, -0.0001924400000000, -0.0029770700000000 ] - [ -0.0003145200000000, -0.0005447700000000, -0.0029028500000000 ] - [ -0.0001770800000000, 0.0003079500000000, 0.0006675100000000 ] - [ 0.0003552300000000, 0.0000006200000000, 0.0006675100000000 ] - [ -0.0002541900000000, -0.0004402800000000, 0.0009756700000000 ] - [ 0.0002501500000000, -0.0003537300000000, 0.0012329900000000 ] - [ -0.0000831600000000, -0.0003405200000000, 0.0013414400000000 ] - [ 0.0005902600000000, -0.0000780300000000, 0.0005067400000000 ] - [ -0.0005672700000000, 0.0010627800000000, 0.0002093000000000 ] - [ -0.0013395700000000, -0.0009264500000000, -0.0001392900000000 ] - [ -0.0006276900000000, -0.0010871900000000, 0.0014620600000000 ] - [ -0.0002489200000000, 0.0002489600000000, 0.0008046500000000 ] - [ -0.0000531400000000, 0.0003060700000000, 0.0006088500000000 ] - [ 0.0000023500000000, 0.0000040700000000, 0.0017924800000000 ] - [ -0.0000524100000000, 0.0000221500000000, -0.0031968000000000 ] - [ -0.0003288400000000, 0.0004579100000000, 0.0004703300000000 ] - [ -0.0023196100000000, -0.0038844100000000, -0.0012053800000000 ] - [ -0.0005284500000000, -0.0000250700000000, 0.0006738800000000 ] - [ 0.0021662900000000, -0.0040567500000000, 0.0004166000000000 ] - [ -0.0000440900000000, -0.0000763600000000, 0.0051285200000000 ] - [ -0.0045963900000000, -0.0001523100000000, 0.0004166000000000 ] - [ 0.0002364000000000, 0.0003711800000000, 0.0006005100000000 ] - [ -0.0004314100000000, 0.0000397700000000, 0.0012329900000000 ] - [ 0.0006191500000000, 0.0009280300000000, -0.0018732000000000 ] - [ 0.0001384900000000, 0.0001394200000000, 0.0044878900000000 ] - [ 0.0010296000000000, 0.0025276400000000, 0.0012530300000000 ] - [ -0.0001933200000000, -0.0003348400000000, 0.0018768400000000 ] - [ 0.0002916400000000, 0.0001070200000000, 0.0006088500000000 ] - [ 0.0000453900000000, -0.0000343100000000, -0.0031968000000000 ] - [ -0.0002035100000000, 0.0002401600000000, 0.0009145600000000 ] - [ -0.0000543300000000, 0.0000661600000000, 0.0009481700000000 ] - [ 0.0011264900000000, -0.0021856400000000, -0.0010088900000000 ] - [ 0.0000514900000000, 0.0001896500000000, 0.0044878900000000 ] - [ -0.0001147400000000, -0.0000082400000000, 0.0029077600000000 ] - [ 0.0003097400000000, -0.0000561600000000, 0.0009145600000000 ] - [ 0.0003211000000000, 0.0005561700000000, 0.0013880800000000 ] - [ -0.0008592000000000, 0.0001620100000000, -0.0019173500000000 ] - [ -0.0014326100000000, 0.0007793100000000, -0.0001471200000000 ] - [ -0.0009152200000000, -0.0002165100000000, -0.0018094500000000 ] - [ 0.0004941300000000, 0.0010002100000000, -0.0018732000000000 ] - [ 0.0012655600000000, 0.0000340500000000, 0.0012460200000000 ] - [ 0.0000019500000000, 0.0000033900000000, 0.0043951700000000 ] - [ 0.0002490000000000, -0.0003202800000000, 0.0017354900000000 ] - [ 0.0003400700000000, -0.0000910900000000, 0.0008046500000000 ] - [ 0.0040426300000000, -0.0004312200000000, -0.0008841900000000 ] - [ 0.0013912100000000, -0.0008510200000000, -0.0001471200000000 ] - [ -0.0003627100000000, 0.0004721700000000, 0.0005067400000000 ] - [ 0.0003308400000000, 0.0002159300000000, 0.0013395500000000 ] - [ 0.0483880300000000, -0.0808669200000000, -0.1218394400000000 ] - [ -0.0006032900000000, 0.0011130300000000, 0.0012460200000000 ] - [ -0.0002438600000000, -0.0001474600000000, 0.0014119300000000 ] - [ -0.0022041900000000, -0.0039510400000000, -0.0012053800000000 ] - [ 0.0002519800000000, 0.0000846800000000, 0.0019279000000000 ] - [ 0.0012040300000000, 0.0000401200000000, 0.0002093000000000 ] - [ -0.0000526500000000, 0.0002605700000000, 0.0019279000000000 ] - [ -0.0014853100000000, 0.0027182700000000, -0.0013862600000000 ] - [ -0.0002396100000000, -0.0002843700000000, 0.0005790900000000 ] - [ 0.0005699100000000, -0.0006630800000000, -0.0019173500000000 ] - [ 0.0030967500000000, 0.0000728200000000, -0.0013862600000000 ] - [ -0.0024560700000000, -0.0001172500000000, -0.0010088900000000 ] - [ -0.0004109400000000, -0.0007117700000000, -0.0067490700000000 ] - [ -0.0014819600000000, -0.0025668300000000, -0.0010397000000000 ] - [ 0.0016742000000000, 0.0021554800000000, 0.0012530300000000 ] - [ 0.0000215800000000, 0.0003944800000000, 0.0013395500000000 ] - [ -0.0001283100000000, -0.0006337800000000, 0.0005038000000000 ] - [ 0.0008986500000000, 0.0015565000000000, -0.0004862600000000 ] - [ 0.0391588800000000, 0.0678251600000000, -0.1111598200000000 ] - [ 0.0001586700000000, 0.0002748300000000, 0.0017290600000000 ] - [ 0.0000844600000000, -0.0000139700000000, 0.0009481700000000 ] - [ 0.0001420600000000, 0.0002460600000000, 0.0009726400000000 ] - [ 0.0000502300000000, -0.0001034900000000, 0.0029077600000000 ] - [ 0.0002359800000000, -0.0003794700000000, 0.0006003600000000 ] - [ 0.0002032500000000, 0.0003903200000000, 0.0006005100000000 ] - [ 0.0002701000000000, -0.0009008600000000, -0.0018094500000000 ] - [ -0.0001325400000000, -0.0016233300000000, -0.0001392900000000 ] - [ -0.0004466200000000, 0.0000146300000000, 0.0006003600000000 ] - [ -0.0001264600000000, -0.0003496900000000, 0.0005790900000000 ] - [ 0.0002425200000000, -0.0004701800000000, 0.0006738800000000 ] - [ -0.0023947600000000, 0.0032854100000000, -0.0008841900000000 ] - [ 0.0005609800000000, -0.0000558300000000, 0.0004703300000000 ] - [ 0.0038591300000000, 0.0006113100000000, -0.0009292100000000 ] - [ 0.0046687200000000, 0.0080864500000000, -0.3375189600000000 ] - [ 0.0003830700000000, 0.0006635000000000, 0.0017014500000000 ] - [ -0.0942268200000000, 0.0014718000000000, -0.1218394400000000 ] - [ -0.0002533200000000, -0.0002422800000000, 0.0013414400000000 ] - [ -0.0014001500000000, 0.0036477600000000, -0.0009292100000000 ] - [ -0.0004847200000000, -0.0004280100000000, 0.0005038000000000 ] - [ -0.0004018700000000, 0.0000555100000000, 0.0017354900000000 ] - [ -0.0000057800000000, -0.0002849300000000, 0.0014119300000000 ] - [ 0.0000370600000000, -0.0000583300000000, 0.0007992200000000 ] - [ 0.0008250100000000, 0.0014289700000000, 0.0002873500000000 ] - [ 0.0020007700000000, -0.0000481100000000, -0.0000303700000000 ] - [ -0.0006959700000000, 0.0009648300000000, -0.0044496000000000 ] - [ 0.0000259000000000, -0.0000447400000000, 0.0009422500000000 ] - [ -0.0008594700000000, -0.0014886500000000, -0.0001031300000000 ] - [ -0.0000516900000000, 0.0000000600000000, 0.0009422500000000 ] - [ -0.0004294600000000, -0.0007438400000000, -0.0034949700000000 ] - [ -0.0000016900000000, -0.0000029200000000, 0.0016930800000000 ] - [ 0.0000623700000000, 0.0001080300000000, 0.0054606700000000 ] - [ -0.0000690500000000, 0.0000029300000000, 0.0007992200000000 ] - [ 0.0000195900000000, 0.0000339300000000, 0.0014922700000000 ] - [ 0.0000074800000000, 0.0000393400000000, -0.0001210000000000 ] - [ 0.0011835500000000, -0.0001203100000000, -0.0044496000000000 ] - [ 0.0000303300000000, 0.0000261500000000, -0.0001210000000000 ] - [ 0.0010177500000000, -0.0015015000000000, 0.0002459000000000 ] - [ -0.0010420500000000, 0.0017086600000000, -0.0000303700000000 ] - [ -0.0018092100000000, 0.0001306500000000, 0.0002459000000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016701600000000, -0.0005480200000000, 0.0012898100000000 ] - [ 0.0002528700000000, -0.0000315600000000, -0.0000841300000000 ] - [ -0.0002520800000000, 0.0008412600000000, -0.0003630500000000 ] - [ -0.0002364900000000, -0.0001393800000000, 0.0002796800000000 ] - [ -0.0003253300000000, 0.0012496300000000, 0.0003430600000000 ] - [ 0.0000122600000000, 0.0002396400000000, -0.0000804400000000 ] - [ 0.0010761400000000, 0.0000310500000000, 0.0001657000000000 ] - [ 0.0021782900000000, 0.0006509200000000, -0.0013732800000000 ] - [ 0.0082242500000000, 0.0058887900000000, -0.0004002500000000 ] - [ 0.0000182100000000, -0.0002060000000000, -0.0001003100000000 ] - [ -0.0000535400000000, 0.0002595000000000, 0.0002286000000000 ] - [ -0.0002314400000000, -0.0013088900000000, 0.0004175400000000 ] - [ -0.0002074700000000, -0.0001857100000000, -0.0003514400000000 ] - [ 0.0008212100000000, 0.0018578300000000, 0.0002693200000000 ] - [ 0.0038614500000000, -0.0000165200000000, -0.0129095200000000 ] - [ -0.0001293000000000, -0.0002272900000000, 0.0002818000000000 ] - [ 0.0002742700000000, 0.0002016900000000, 0.0003257300000000 ] - [ -0.0001310700000000, 0.0000744400000000, -0.0001836200000000 ] - [ 0.0000089400000000, 0.0000817200000000, 0.0000492600000000 ] - [ -0.0001175000000000, 0.0002563200000000, -0.0003173400000000 ] - [ -0.0002146600000000, 0.0000628000000000, 0.0000685900000000 ] - [ 0.0000641700000000, 0.0000551100000000, 0.0000495500000000 ] - [ -0.0011927500000000, 0.0005101400000000, -0.0043157300000000 ] - [ 0.0007974400000000, -0.0008812700000000, -0.0004783900000000 ] - [ 0.0000683700000000, 0.0000106100000000, 0.0002927700000000 ] - [ -0.0000062500000000, -0.0001571200000000, -0.0002249700000000 ] - [ 0.0000632200000000, 0.0000715800000000, -0.0001021600000000 ] - [ 0.0079139300000000, -0.0058806500000000, -0.0004668700000000 ] - [ 0.0002033900000000, 0.0001406900000000, 0.0091376600000000 ] - [ 0.0110567100000000, 0.0099188200000000, 0.0020835600000000 ] - [ -0.0000740900000000, -0.0000042400000000, 0.0000359200000000 ] - [ 0.0011809700000000, -0.0012194600000000, 0.0003797900000000 ] - [ 0.0042064300000000, 0.0000652600000000, 0.0002141100000000 ] - [ -0.0040001000000000, 0.0044803300000000, -0.0008810700000000 ] - [ 0.0012184200000000, 0.0012850300000000, 0.0004585800000000 ] - [ 0.0001754600000000, 0.0000690200000000, -0.0001406500000000 ] - [ -0.0001411900000000, 0.0004965000000000, 0.0009568700000000 ] - [ -0.0012291100000000, -0.0025591800000000, 0.0061644500000000 ] - [ -0.0002411900000000, -0.0006687000000000, -0.0009286600000000 ] - [ 0.0108968900000000, -0.0100287000000000, 0.0013833100000000 ] - [ 0.0001556800000000, 0.0000226000000000, -0.0001959500000000 ] - [ 0.0002505200000000, -0.0002764500000000, 0.0002913500000000 ] - [ -0.0000734900000000, -0.0001358700000000, -0.0001938300000000 ] - [ -0.0000761200000000, 0.0005055400000000, -0.0009467000000000 ] - [ -0.0000109800000000, -0.0001604500000000, 0.0000036900000000 ] - [ 0.0009287300000000, 0.0007217900000000, -0.0004056900000000 ] - [ -0.0002527500000000, 0.0001647100000000, -0.0003510000000000 ] - [ -0.0000990600000000, -0.0000228200000000, 0.0000442900000000 ] - [ -0.0001462300000000, 0.0001451300000000, 0.0001209900000000 ] - [ 0.0001595700000000, 0.0000860200000000, -0.0002280800000000 ] - [ 0.0007303800000000, -0.0018767300000000, 0.0002508500000000 ] - [ -0.0014094600000000, -0.0006201900000000, -0.0041512300000000 ] - [ -0.0003865500000000, 0.0000635300000000, 0.0002824600000000 ] - [ 0.0022725700000000, -0.0007739800000000, -0.0012441600000000 ] - [ 0.0016765200000000, 0.0007357700000000, 0.0012513100000000 ] - [ 0.0002719200000000, -0.0000566000000000, 0.0000805400000000 ] - [ -0.0001035100000000, -0.0004185600000000, 0.0008648300000000 ] - [ -0.0003845200000000, -0.0008002000000000, -0.0002483900000000 ] - [ -0.0000987100000000, -0.0001774600000000, 0.0003635800000000 ] - [ -0.0000582800000000, 0.0001296400000000, 0.0002505700000000 ] - [ 0.0002668800000000, -0.0001191500000000, -0.0003595300000000 ] - [ -0.0013528800000000, 0.0026241600000000, 0.0063240400000000 ] - [ -0.0038073100000000, -0.0042771000000000, -0.0008176000000000 ] - [ 0.0062764800000000, -0.0001378800000000, -0.0030793800000000 ] - [ -0.0002637200000000, 0.0004498000000000, -0.0008231900000000 ] - [ 0.0008696800000000, 0.0003502700000000, 0.0000804500000000 ] - [ -0.0002664100000000, 0.0000001600000000, -0.0005051700000000 ] - [ 0.0004167600000000, 0.0002823900000000, -0.0002658600000000 ] - [ 0.0001263800000000, 0.0000035700000000, -0.0005061000000000 ] - [ 0.0035428200000000, 0.0037101800000000, 0.0004573900000000 ] - [ 0.0009666700000000, 0.0004416100000000, -0.0003299600000000 ] - [ -0.0057906200000000, -0.0075083800000000, -0.0032850200000000 ] - [ -0.0060681700000000, 0.0074185000000000, -0.0037118600000000 ] - [ -0.0003708500000000, -0.0002158200000000, 0.0000459500000000 ] - [ -0.0012643100000000, 0.0000082700000000, 0.0000949300000000 ] - [ 0.0073860200000000, -0.0004224000000000, 0.0062585300000000 ] - [ -0.0048742800000000, 0.0063734100000000, 0.0019872700000000 ] - [ -0.0048484800000000, -0.0064007400000000, 0.0020060600000000 ] - [ 0.0000154800000000, -0.0000137000000000, 0.0000638700000000 ] - [ -0.0001449200000000, -0.0003957500000000, -0.0007806100000000 ] - [ -0.7329813500000000, 0.0003308300000000, 0.0070213000000000 ] - [ 0.0037680900000000, -0.0037980600000000, -0.0002832100000000 ] - [ 0.0001151800000000, 0.0000000400000000, 0.0003361600000000 ] - [ 0.0004254300000000, -0.0000473800000000, 0.0019485900000000 ] - [ 0.0001816800000000, -0.0000044600000000, -0.0001174400000000 ] - [ -0.0002696100000000, -0.0000027400000000, -0.0001207500000000 ] - [ -0.0003476600000000, -0.0000062600000000, 0.0001637000000000 ] - [ -0.0000069200000000, -0.0000798700000000, 0.0001345400000000 ] - [ 0.0001041300000000, -0.0002265400000000, 0.0005173800000000 ] - [ 0.0030157900000000, -0.0007230000000000, 0.0009045500000000 ] - [ 0.0883565900000000, -0.0000249700000000, -0.0003699700000000 ] - [ -0.0003594800000000, -0.0001869300000000, -0.0004077400000000 ] - [ 0.0000119100000000, 0.0000976700000000, 0.0001209100000000 ] - [ -0.0000676700000000, 0.0000366900000000, -0.0000918600000000 ] - [ 0.0001913300000000, 0.0001958400000000, -0.0003787700000000 ] - [ -0.0000549000000000, -0.0000078700000000, -0.0003761100000000 ] - [ 0.0018316200000000, -0.0037341800000000, 0.0021270100000000 ] - [ 0.0011104500000000, -0.0046263900000000, -0.0031345300000000 ] - [ -0.0018845800000000, -0.0000277000000000, 0.0001167500000000 ] - [ -0.0009075200000000, 0.0000101600000000, -0.0004924800000000 ] - [ 0.0007361500000000, -0.0005192000000000, -0.0005058800000000 ] - [ 0.0009360800000000, 0.0010849800000000, -0.0011468600000000 ] - [ -0.0006923700000000, 0.0001242100000000, -0.0002901000000000 ] - [ 0.0005422800000000, 0.0007324100000000, -0.0004956500000000 ] - [ -0.0001805600000000, -0.0000310400000000, 0.0001462100000000 ] - [ 0.0001101100000000, -0.0025580100000000, 0.0008680300000000 ] - [ 0.0031070500000000, 0.0008366000000000, 0.0008756100000000 ] - [ -0.0002329600000000, -0.0000315000000000, 0.0000412400000000 ] - [ -0.0001245700000000, -0.0001169300000000, -0.0001156100000000 ] - [ -0.0000116300000000, 0.0000409800000000, -0.0002809600000000 ] - [ -0.0043769100000000, 0.0000952400000000, -0.0032343900000000 ] - [ 0.0001848800000000, -0.0003295200000000, 0.0000983800000000 ] - [ -0.0010800200000000, 0.0001040600000000, 0.0019378300000000 ] - [ 0.0032157500000000, 0.0000033900000000, -0.0000278900000000 ] - [ 0.0001330000000000, 0.0025257200000000, 0.0003585700000000 ] - [ -0.0000429600000000, -0.0000013000000000, 0.0008181400000000 ] - [ 0.0000914100000000, 0.0000519800000000, 0.0000602300000000 ] - [ 0.0000357400000000, 0.0000918600000000, 0.0001292100000000 ] - [ 0.0039566900000000, -0.0001960000000000, -0.0000342500000000 ] - [ -0.0000564400000000, -0.0001918300000000, -0.0002784600000000 ] - [ -0.0051923700000000, -0.0000018600000000, -0.0019725100000000 ] - [ -0.0019963600000000, 0.0003725600000000, -0.0020160600000000 ] - [ -0.0000334200000000, 0.0000416300000000, -0.0002870600000000 ] - [ 0.0011966800000000, 0.0044492400000000, -0.0031279400000000 ] - [ 0.0001569200000000, 0.0002751800000000, 0.0004886300000000 ] - [ 0.0001441900000000, -0.0002551900000000, -0.0002000800000000 ] - [ -0.0003935800000000, 0.0015719700000000, 0.0001830500000000 ] - [ 0.0011785500000000, -0.0000558700000000, 0.0000299100000000 ] - [ -0.0028532800000000, 0.0011217200000000, 0.0028043100000000 ] - [ -0.0008523000000000, 0.0001341100000000, -0.0001473200000000 ] - [ 0.0000553100000000, 0.0025917600000000, 0.0007637400000000 ] - [ 0.0001157100000000, 0.0000352800000000, -0.0002762900000000 ] - [ 0.0001485200000000, -0.0001950300000000, 0.0005079300000000 ] - [ -0.0005566300000000, -0.0011482600000000, 0.0003612400000000 ] - [ -0.0000370200000000, 0.0000682000000000, -0.0002108100000000 ] - [ -0.0009279100000000, 0.0007276000000000, 0.0005014200000000 ] - [ 0.0001572800000000, 0.0000517500000000, -0.0002105000000000 ] - [ 0.1436498800000000, -0.1006552100000000, 0.0419115800000000 ] - [ -0.0003317800000000, -0.0000810900000000, -0.0002246700000000 ] - [ -0.0023782200000000, 0.0000161300000000, -0.0021471600000000 ] - [ -0.0024887500000000, -0.0000191800000000, 0.0005100700000000 ] - [ -0.0004801000000000, -0.0000305500000000, -0.0000171200000000 ] - [ -0.0009529900000000, -0.0006471800000000, -0.0004433900000000 ] - [ -0.0030227000000000, -0.0031767100000000, 0.0006786400000000 ] - [ -0.0004748600000000, 0.0001577300000000, -0.0002581200000000 ] - [ 0.0002504100000000, -0.0002696400000000, -0.0001653900000000 ] - [ -0.0027446400000000, -0.0011010400000000, 0.0027596100000000 ] - [ -0.0006882200000000, -0.0004420100000000, 0.0002203600000000 ] - [ 0.0011331500000000, 0.0056501400000000, 0.0017144300000000 ] - [ -0.0004011500000000, -0.0000670200000000, -0.0017740800000000 ] - [ 0.0010505300000000, -0.0011523100000000, -0.0011169400000000 ] - [ 0.0001499800000000, 0.0003723900000000, -0.0006084300000000 ] - [ 0.0000807600000000, -0.0000022100000000, 0.0008172500000000 ] - [ 0.0004055900000000, -0.0006979300000000, -0.0004532400000000 ] - [ 0.0003159300000000, 0.0007105000000000, -0.0004512600000000 ] - [ 0.0011518200000000, -0.0052731000000000, 0.0014648200000000 ] - [ 0.0007632900000000, 0.0005562300000000, -0.0005181100000000 ] - [ -0.0006745100000000, 0.0000207600000000, -0.0004067500000000 ] - [ -0.0000562500000000, -0.0001406400000000, -0.0001177100000000 ] - [ 0.0004979400000000, -0.0007624100000000, -0.0004951000000000 ] - [ 0.1485965600000000, 0.1034402000000000, 0.0436404200000000 ] - [ -0.0033347800000000, -0.0001301100000000, -0.0002106400000000 ] - [ -0.0029534400000000, 0.0028094700000000, -0.0002406000000000 ] - [ 0.0019769500000000, 0.0034373400000000, 0.0017952800000000 ] - [ -0.0001765500000000, -0.0001107000000000, -0.0000483200000000 ] - [ 0.0036652200000000, 0.0002363200000000, 0.0002083800000000 ] - [ 0.0000397700000000, 0.0003725200000000, 0.0005336100000000 ] - [ 0.3387308000000000, -0.0030721300000000, -0.0914857700000000 ] - [ -0.0000537200000000, -0.0023890700000000, 0.0003610500000000 ] - [ 0.0000816000000000, -0.0002200300000000, 0.0005225800000000 ] - [ -0.0001559400000000, 0.0000879800000000, 0.0005051800000000 ] - [ -0.0000251300000000, -0.0000434300000000, -0.0000573300000000 ] - [ -0.0069664600000000, 0.0001240300000000, -0.0041923000000000 ] - [ 0.0000281800000000, -0.0007627500000000, -0.0008167600000000 ] - [ -0.0020076800000000, 0.0033228000000000, -0.0011051700000000 ] - [ -0.0000904500000000, -0.0000166600000000, 0.0002405700000000 ] - [ -0.0012007500000000, 0.0001010100000000, 0.0017818500000000 ] - [ 0.0000145600000000, -0.0000858700000000, -0.0000545100000000 ] - [ -0.0076328000000000, -0.0000343300000000, 0.0028280500000000 ] - [ 0.0000457500000000, 0.0000763600000000, -0.0000054600000000 ] - [ 0.0001092400000000, 0.0001513300000000, -0.0001681000000000 ] - [ -0.0000165400000000, -0.0000445400000000, -0.0000011100000000 ] - [ 0.0000570600000000, 0.0001001200000000, -0.0000576400000000 ] - [ 0.0000915000000000, -0.0001463200000000, -0.0001262200000000 ] - [ -0.0015652700000000, -0.0038521100000000, -0.0012210900000000 ] - [ -0.0001498800000000, 0.0000011000000000, -0.0007928800000000 ] - [ -0.0009941300000000, 0.0032674000000000, 0.0021734100000000 ] - [ 0.0001406700000000, 0.0007379700000000, -0.0007162600000000 ] - [ -0.0014243300000000, -0.0031621900000000, 0.0022300400000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016177000000000, 0.0009574600000000, -0.0008578800000000 ] - [ -0.0003692000000000, 0.0002644500000000, 0.0004308900000000 ] - [ 0.0002024900000000, -0.0007353700000000, 0.0006370700000000 ] - [ 0.0002514100000000, -0.0001356800000000, -0.0000266900000000 ] - [ 0.0000771300000000, -0.0007998900000000, -0.0007806400000000 ] - [ -0.0002333400000000, -0.0006257000000000, 0.0000750400000000 ] - [ -0.0006267800000000, -0.0000256300000000, -0.0001809700000000 ] - [ -0.0024457500000000, -0.0010954700000000, 0.0009355600000000 ] - [ -0.0084193100000000, -0.0057255200000000, 0.0005240600000000 ] - [ -0.0002538300000000, 0.0005965400000000, 0.0000905500000000 ] - [ 0.0000661900000000, 0.0000301200000000, 0.0000186400000000 ] - [ 0.0000947900000000, 0.0008681300000000, -0.0006611200000000 ] - [ 0.0000091200000000, -0.0002201700000000, -0.0002402400000000 ] - [ -0.0007917300000000, -0.0020190500000000, 0.0002270000000000 ] - [ -0.0034108600000000, -0.0000919600000000, 0.0125924500000000 ] - [ 0.0000086600000000, 0.0000183400000000, 0.0000663800000000 ] - [ -0.0000178500000000, -0.0001854100000000, 0.0000173200000000 ] - [ 0.0003786300000000, 0.0000812000000000, 0.0004330500000000 ] - [ -0.0000391500000000, 0.0002136100000000, 0.0000664300000000 ] - [ -0.0000759400000000, 0.0001714500000000, -0.0002765300000000 ] - [ 0.0006711300000000, -0.0000689600000000, -0.0000761500000000 ] - [ 0.0002064500000000, 0.0000665600000000, 0.0000663300000000 ] - [ 0.0012679300000000, -0.0009603000000000, 0.0047423400000000 ] - [ -0.0006820300000000, 0.0008955100000000, 0.0007550100000000 ] - [ 0.0002083500000000, -0.0000030600000000, 0.0003026700000000 ] - [ -0.0002457700000000, -0.0002173400000000, -0.0003700500000000 ] - [ -0.0001721700000000, 0.0001346700000000, -0.0002380400000000 ] - [ -0.0081306900000000, 0.0059095900000000, 0.0009767400000000 ] - [ 0.0001548100000000, 0.0001126400000000, -0.0086421000000000 ] - [ -0.0109559900000000, -0.0096788700000000, -0.0016026600000000 ] - [ 0.0008240500000000, -0.0000105600000000, 0.0000105300000000 ] - [ -0.0006693100000000, 0.0012356000000000, -0.0008203700000000 ] - [ -0.0040798700000000, 0.0000278800000000, 0.0002788600000000 ] - [ 0.0041488300000000, -0.0045908400000000, 0.0013727400000000 ] - [ -0.0007809200000000, -0.0011896800000000, -0.0007130500000000 ] - [ -0.0004222300000000, -0.0001947100000000, 0.0003969500000000 ] - [ -0.0002391500000000, 0.0001442500000000, -0.0009190600000000 ] - [ 0.0011374100000000, 0.0030036200000000, -0.0064396600000000 ] - [ -0.0001403800000000, 0.0000152400000000, 0.0009706400000000 ] - [ -0.0109481500000000, 0.0097167800000000, -0.0012857100000000 ] - [ 0.0003144400000000, 0.0000238400000000, -0.0003975200000000 ] - [ -0.0000176500000000, 0.0000948800000000, -0.0000427800000000 ] - [ -0.0000378500000000, -0.0000561200000000, -0.0001542500000000 ] - [ -0.0001496200000000, -0.0001110200000000, 0.0009384600000000 ] - [ -0.0000207400000000, -0.0001427200000000, 0.0001024200000000 ] - [ -0.0005915900000000, -0.0009779000000000, 0.0008309400000000 ] - [ -0.0000351100000000, 0.0001999700000000, -0.0002393100000000 ] - [ -0.0001477800000000, -0.0001569900000000, 0.0000611300000000 ] - [ -0.0000890500000000, 0.0000311400000000, -0.0000078000000000 ] - [ 0.0000722500000000, -0.0000773500000000, -0.0001108800000000 ] - [ -0.0008899600000000, 0.0019414900000000, 0.0002410100000000 ] - [ 0.0010441800000000, 0.0008067000000000, 0.0045787400000000 ] - [ 0.0001119300000000, 0.0000482200000000, -0.0000345200000000 ] - [ -0.0025901400000000, 0.0010890900000000, 0.0009893700000000 ] - [ -0.0017400000000000, -0.0008392200000000, -0.0009768400000000 ] - [ -0.0000024000000000, -0.0000587100000000, 0.0000338200000000 ] - [ -0.0001152600000000, 0.0000366000000000, -0.0008760500000000 ] - [ -0.0000144900000000, 0.0006306200000000, 0.0006710000000000 ] - [ -0.0000406900000000, -0.0000629900000000, 0.0002304200000000 ] - [ -0.0000727900000000, 0.0001136100000000, 0.0003456500000000 ] - [ 0.0001912600000000, 0.0000521400000000, -0.0002332600000000 ] - [ 0.0010795300000000, -0.0029778400000000, -0.0065910000000000 ] - [ 0.0041007300000000, 0.0042936700000000, 0.0009319500000000 ] - [ -0.0062506300000000, 0.0000450800000000, 0.0037067800000000 ] - [ 0.0001963200000000, -0.0003380600000000, 0.0010564800000000 ] - [ -0.0008669400000000, -0.0003627900000000, 0.0000805200000000 ] - [ 0.0002680900000000, -0.0000006100000000, -0.0004925900000000 ] - [ -0.0001406700000000, 0.0002044200000000, 0.0001662000000000 ] - [ -0.0001280000000000, -0.0000041200000000, -0.0004933600000000 ] - [ -0.0035516400000000, -0.0036865000000000, 0.0004447200000000 ] - [ -0.0009708500000000, -0.0004362900000000, -0.0003374500000000 ] - [ 0.0059974400000000, 0.0079477000000000, 0.0028278300000000 ] - [ 0.0055658500000000, -0.0074441400000000, 0.0032441700000000 ] - [ -0.0001925600000000, 0.0002165000000000, -0.0001454200000000 ] - [ 0.0012649600000000, -0.0000047700000000, 0.0000950500000000 ] - [ -0.0071649600000000, 0.0000170600000000, -0.0068207500000000 ] - [ 0.0047267500000000, -0.0063556300000000, -0.0013985200000000 ] - [ 0.0048656200000000, 0.0064816000000000, -0.0014118700000000 ] - [ 0.0002690900000000, -0.0004763400000000, -0.0001641000000000 ] - [ 0.0002805200000000, 0.0003960300000000, 0.0010124100000000 ] - [ 0.7125515300000000, 0.0003328300000000, 0.0068223500000000 ] - [ -0.0037932200000000, 0.0037847500000000, -0.0002990000000000 ] - [ -0.0001150800000000, 0.0000022200000000, 0.0003535200000000 ] - [ -0.0004981400000000, -0.0000712100000000, -0.0017046200000000 ] - [ -0.0001836100000000, 0.0000005900000000, -0.0001172300000000 ] - [ 0.0002679200000000, 0.0000018700000000, -0.0001204800000000 ] - [ 0.0003507200000000, 0.0000071900000000, 0.0001634000000000 ] - [ 0.0001229700000000, -0.0001173700000000, 0.0001281400000000 ] - [ 0.0003279700000000, 0.0004062400000000, 0.0000489300000000 ] - [ -0.0023622200000000, 0.0007266600000000, -0.0004822600000000 ] - [ -0.0882843300000000, 0.0000209600000000, -0.0003356400000000 ] - [ 0.0005571200000000, 0.0004631100000000, -0.0002423300000000 ] - [ 0.0001447900000000, 0.0001720100000000, -0.0002271300000000 ] - [ -0.0002357500000000, -0.0000288200000000, -0.0000133100000000 ] - [ 0.0000730400000000, -0.0000430900000000, -0.0001322000000000 ] - [ 0.0000535500000000, 0.0000046500000000, -0.0004085800000000 ] - [ -0.0017270100000000, 0.0037406800000000, -0.0016785600000000 ] - [ -0.0016008600000000, 0.0049995500000000, 0.0034814000000000 ] - [ 0.0029978900000000, 0.0000225700000000, 0.0006718300000000 ] - [ -0.0007535100000000, -0.0000633000000000, -0.0004575000000000 ] - [ -0.0005352200000000, 0.0002408900000000, -0.0001576000000000 ] - [ -0.0010232400000000, -0.0012436200000000, 0.0009430800000000 ] - [ 0.0003600200000000, -0.0000872400000000, -0.0003612800000000 ] - [ 0.0003267700000000, 0.0006752300000000, -0.0004549300000000 ] - [ -0.0000473400000000, 0.0000327200000000, 0.0001163100000000 ] - [ 0.0001753400000000, 0.0030188900000000, -0.0011108300000000 ] - [ -0.0025218500000000, -0.0006053300000000, -0.0005040900000000 ] - [ 0.0001155300000000, 0.0002334900000000, -0.0000396400000000 ] - [ -0.0000063800000000, -0.0001112300000000, -0.0002513600000000 ] - [ 0.0000110300000000, 0.0002656500000000, -0.0002300400000000 ] - [ 0.0043647100000000, -0.0000230800000000, 0.0037328900000000 ] - [ 0.0000433100000000, -0.0000586900000000, -0.0004163400000000 ] - [ 0.0009880200000000, 0.0000455900000000, -0.0021608800000000 ] - [ -0.0032245200000000, -0.0000000900000000, -0.0000262100000000 ] - [ -0.0002037500000000, -0.0019115300000000, -0.0000000800000000 ] - [ 0.0000404600000000, -0.0000022600000000, 0.0008118300000000 ] - [ -0.0005446700000000, -0.0000482400000000, -0.0003772000000000 ] - [ 0.0000780400000000, 0.0001050500000000, 0.0001327200000000 ] - [ -0.0041540900000000, 0.0002021300000000, -0.0002982600000000 ] - [ 0.0001884900000000, -0.0001031700000000, -0.0003696900000000 ] - [ 0.0046837700000000, 0.0000131200000000, 0.0017572500000000 ] - [ 0.0022435900000000, 0.0000807200000000, 0.0017994200000000 ] - [ -0.0002270600000000, 0.0001194600000000, -0.0002266200000000 ] - [ -0.0015036200000000, -0.0049818700000000, 0.0035285900000000 ] - [ -0.0000306900000000, -0.0002705100000000, -0.0009972700000000 ] - [ 0.0000126200000000, -0.0000026200000000, 0.0000957500000000 ] - [ 0.0003193200000000, -0.0017064500000000, 0.0001296800000000 ] - [ -0.0015183900000000, 0.0000217800000000, -0.0006888500000000 ] - [ 0.0025450000000000, -0.0005743400000000, -0.0024184600000000 ] - [ 0.0004791500000000, 0.0001476300000000, 0.0007123600000000 ] - [ 0.0002104200000000, -0.0030895700000000, -0.0010089700000000 ] - [ 0.0001533500000000, -0.0001796500000000, -0.0002370000000000 ] - [ -0.0005052200000000, -0.0000810600000000, 0.0000571200000000 ] - [ 0.0000115100000000, 0.0020967900000000, 0.0004247200000000 ] - [ -0.0000927400000000, 0.0001701200000000, -0.0001514000000000 ] - [ 0.0009296500000000, -0.0007231000000000, 0.0005328700000000 ] - [ 0.0001128900000000, -0.0000449700000000, -0.0001532500000000 ] - [ -0.1446187400000000, 0.1049931100000000, -0.0433757300000000 ] - [ 0.0000737200000000, -0.0000721300000000, -0.0002847200000000 ] - [ 0.0024767300000000, -0.0001952500000000, 0.0018449100000000 ] - [ 0.0026740200000000, 0.0000316100000000, -0.0002049200000000 ] - [ 0.0004836100000000, 0.0000375600000000, -0.0000148500000000 ] - [ 0.0009576400000000, 0.0006436400000000, -0.0004320000000000 ] - [ 0.0024706600000000, 0.0022096500000000, 0.0001110500000000 ] - [ 0.0007143700000000, -0.0001613800000000, 0.0002628000000000 ] - [ 0.0001824700000000, 0.0000842900000000, 0.0007309700000000 ] - [ 0.0026809200000000, 0.0004779600000000, -0.0024251600000000 ] - [ 0.0005739600000000, 0.0002371400000000, -0.0002164300000000 ] - [ -0.0010195000000000, -0.0054794400000000, -0.0020428400000000 ] - [ 0.0003437800000000, -0.0000350400000000, 0.0012564900000000 ] - [ -0.0008670700000000, 0.0011418200000000, 0.0009145300000000 ] - [ 0.0000792300000000, 0.0000235900000000, 0.0002871900000000 ] - [ -0.0000835800000000, -0.0000021800000000, 0.0008109000000000 ] - [ 0.0004609300000000, -0.0007175300000000, -0.0004975100000000 ] - [ 0.0004689000000000, 0.0007465400000000, -0.0004989700000000 ] - [ -0.0008662600000000, 0.0048237500000000, -0.0017068600000000 ] - [ -0.0006238300000000, -0.0002471300000000, -0.0001442900000000 ] - [ -0.0009859500000000, 0.0000218900000000, -0.0005440900000000 ] - [ 0.0000564200000000, -0.0001638400000000, -0.0003941300000000 ] - [ 0.0002866100000000, -0.0007042300000000, -0.0004552500000000 ] - [ -0.1498569500000000, -0.1081473000000000, -0.0452768900000000 ] - [ 0.0039348300000000, -0.0001082800000000, 0.0005629400000000 ] - [ 0.0028702500000000, -0.0026617300000000, 0.0005520000000000 ] - [ -0.0020044400000000, -0.0035310500000000, -0.0013482200000000 ] - [ 0.0001742800000000, 0.0001045400000000, -0.0000397800000000 ] - [ -0.0042035600000000, -0.0002701700000000, -0.0004569400000000 ] - [ -0.0001036300000000, 0.0000873800000000, 0.0000330200000000 ] - [ -0.3163482800000000, 0.0027884200000000, 0.0829231600000000 ] - [ -0.0004417200000000, 0.0020075600000000, -0.0000029500000000 ] - [ -0.0001426400000000, 0.0003354600000000, -0.0010319100000000 ] - [ 0.0000941800000000, -0.0005344400000000, 0.0000598000000000 ] - [ 0.0000666100000000, -0.0000405500000000, 0.0000123700000000 ] - [ 0.0068212600000000, -0.0003208400000000, 0.0043476900000000 ] - [ -0.0000352000000000, 0.0007446600000000, 0.0009784100000000 ] - [ 0.0015219500000000, -0.0033258100000000, 0.0014411300000000 ] - [ 0.0001152200000000, -0.0000279600000000, -0.0001815500000000 ] - [ 0.0012078000000000, -0.0001029600000000, -0.0016204800000000 ] - [ -0.0000655400000000, 0.0000853400000000, 0.0001156400000000 ] - [ 0.0078830700000000, 0.0004438100000000, -0.0024804200000000 ] - [ -0.0000044700000000, -0.0000052900000000, -0.0000460200000000 ] - [ -0.0000937400000000, -0.0001271000000000, -0.0005479800000000 ] - [ -0.0000767400000000, 0.0000390700000000, -0.0000445700000000 ] - [ -0.0000330300000000, -0.0000586000000000, 0.0001170200000000 ] - [ -0.0001011800000000, 0.0001555400000000, -0.0005937500000000 ] - [ 0.0017775000000000, 0.0034557600000000, 0.0015550900000000 ] - [ 0.0001605300000000, -0.0000065100000000, 0.0000786500000000 ] - [ 0.0012167000000000, -0.0032709700000000, -0.0020046700000000 ] - [ -0.0001619900000000, -0.0007507800000000, 0.0008774800000000 ] - [ 0.0012950700000000, 0.0033759700000000, -0.0020616000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006291500000000, -0.0000857100000000, -0.0009217600000000 ] - [ -0.0003565900000000, 0.0004075200000000, 0.0007924500000000 ] - [ -0.0001593400000000, -0.0005410900000000, -0.0011740300000000 ] - [ 0.0008490400000000, 0.0012717100000000, 0.0020212500000000 ] - [ -0.0002735700000000, 0.0009558600000000, -0.0002136400000000 ] - [ -0.0001392700000000, -0.0002036600000000, 0.0009016100000000 ] - [ 0.0002460200000000, -0.0000187800000000, 0.0009016100000000 ] - [ -0.0006910100000000, -0.0007148500000000, -0.0002136400000000 ] - [ 0.0026900600000000, 0.0007958000000000, -0.0046218700000000 ] - [ -0.0001067400000000, 0.0002224500000000, 0.0009016100000000 ] - [ -0.0000656500000000, 0.0004931600000000, 0.0008136200000000 ] - [ -0.0001849500000000, -0.0009571200000000, -0.0002690900000000 ] - [ -0.0001256500000000, -0.0002881900000000, 0.0012072400000000 ] - [ 0.0001696900000000, 0.0000632600000000, -0.0020737300000000 ] - [ -0.0055582600000000, -0.0000315400000000, 0.0050239900000000 ] - [ -0.0001746300000000, -0.0005125800000000, 0.0007924500000000 ] - [ 0.0005312200000000, 0.0001050500000000, 0.0007924500000000 ] - [ -0.0015258500000000, 0.0000994400000000, 0.0020212500000000 ] - [ 0.0000482700000000, 0.0000883200000000, 0.0011257600000000 ] - [ -0.0000462000000000, 0.0001050200000000, 0.0007247100000000 ] - [ 0.0003254200000000, 0.0006109200000000, 0.0011160000000000 ] - [ 0.0000637000000000, -0.0000963900000000, 0.0012399200000000 ] - [ -0.0066787400000000, -0.0115602300000000, 0.0047410100000000 ] - [ -0.0003889300000000, 0.0004085400000000, -0.0011740300000000 ] - [ 0.0000743800000000, 0.0001880200000000, 0.0014684100000000 ] - [ -0.0000678500000000, -0.0000925200000000, 0.0007247100000000 ] - [ -0.0000463200000000, 0.0001171200000000, 0.0008532300000000 ] - [ 0.0024916600000000, -0.0005619800000000, -0.0046846800000000 ] - [ 0.0133508200000000, -0.0000038500000000, 0.0047410100000000 ] - [ -0.0017325200000000, -0.0018768500000000, -0.0046846800000000 ] - [ 0.0004150600000000, -0.0005997100000000, 0.0011531200000000 ] - [ 0.0009645800000000, -0.0002410100000000, -0.0002136400000000 ] - [ -0.0001396300000000, 0.0001153200000000, -0.0020737300000000 ] - [ -0.0007591400000000, 0.0024388300000000, -0.0046846800000000 ] - [ 0.0009213700000000, 0.0003183900000000, -0.0002690900000000 ] - [ -0.0003942700000000, -0.0003034300000000, 0.0008136200000000 ] - [ 0.0003118300000000, 0.0006593000000000, 0.0011531200000000 ] - [ 0.0028064500000000, -0.0047978200000000, 0.0050239900000000 ] - [ -0.0007268900000000, -0.0000596000000000, 0.0011531200000000 ] - [ -0.0020342200000000, 0.0019317600000000, -0.0046218700000000 ] - [ 0.0003124000000000, 0.0000352800000000, 0.0012072400000000 ] - [ 0.0004599100000000, -0.0001897300000000, 0.0008136200000000 ] - [ -0.0000782700000000, -0.0000986800000000, 0.0008532300000000 ] - [ -0.0006917900000000, -0.0000236400000000, 0.0011160000000000 ] - [ -0.0001153200000000, -0.0000069700000000, 0.0012399200000000 ] - [ -0.0003888000000000, -0.0005020000000000, -0.0009217600000000 ] - [ -0.0001867500000000, 0.0002529100000000, 0.0012072400000000 ] - [ -0.0001006200000000, -0.0000023600000000, 0.0011257600000000 ] - [ 0.0000516300000000, 0.0001033600000000, 0.0012399200000000 ] - [ 0.0001245900000000, -0.0000184400000000, 0.0008532300000000 ] - [ -0.0000300600000000, -0.0001785800000000, -0.0020737300000000 ] - [ -0.0066720800000000, 0.0115640800000000, 0.0047410100000000 ] - [ 0.0006768100000000, -0.0013711500000000, 0.0020212500000000 ] - [ -0.0007364200000000, 0.0006387300000000, -0.0002690900000000 ] - [ 0.0005482700000000, 0.0001325600000000, -0.0011740300000000 ] - [ 0.0000523500000000, -0.0000859600000000, 0.0011257600000000 ] - [ 0.0003663600000000, -0.0005872800000000, 0.0011160000000000 ] - [ -0.0002403400000000, 0.0005877200000000, -0.0009217600000000 ] - [ 0.0001256500000000, -0.0001584300000000, 0.0014684100000000 ] - [ -0.0002000200000000, -0.0000296000000000, 0.0014684100000000 ] - [ 0.0001140500000000, -0.0000125000000000, 0.0007247100000000 ] - [ 0.0027518100000000, 0.0048293700000000, 0.0050239900000000 ] - [ -0.0006558400000000, -0.0027275700000000, -0.0046218700000000 ] - [ -0.0067015900000000, -0.0002001200000000, 0.0006381700000000 ] - [ -0.0007284000000000, -0.0011714400000000, 0.0026306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041144900000000 ] - [ -0.0001009800000000, 0.0002506700000000, 0.0032003600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031931700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021065100000000 ] - [ -0.0017119900000000, 0.0037851100000000, -0.0004787700000000 ] - [ -0.0024220100000000, -0.0033751800000000, -0.0004787700000000 ] - [ -0.0001666000000000, -0.0002127800000000, 0.0032003600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112331000000000 ] - [ 0.0041340000000000, -0.0004099300000000, -0.0004787700000000 ] - [ 0.0031774800000000, 0.0059038100000000, 0.0006381700000000 ] - [ 0.0035241100000000, -0.0057036800000000, 0.0006381700000000 ] - [ 0.0002675700000000, -0.0000378900000000, 0.0032003600000000 ] - [ -0.0006503000000000, 0.0012165300000000, 0.0026306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.7358938200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061108800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030164600000000 ] - [ 0.0013786900000000, -0.0000450900000000, 0.0026306500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046719100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000570700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003673600000000 ] - [ -0.0000724700000000, 0.0001415600000000, -0.0008407600000000 ] - [ 0.0006640000000000, 0.0008866900000000, -0.0007164700000000 ] - [ -0.0013985900000000, -0.0038892600000000, 0.0007308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3704877300000000 ] - [ 0.0001043700000000, 0.0002145200000000, -0.0010125100000000 ] - [ 0.0004286300000000, 0.0004927400000000, -0.0012796300000000 ] - [ -0.0006410400000000, 0.0001248300000000, -0.0012796300000000 ] - [ 0.0002654200000000, 0.0004955700000000, -0.0014372700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020199200000000 ] - [ 0.0011830100000000, 0.0018746600000000, 0.0012756200000000 ] - [ -0.0027080300000000, -0.0033908700000000, 0.0006583100000000 ] - [ 0.0008350400000000, 0.0001039000000000, 0.0020690800000000 ] - [ -0.0011863300000000, -0.0000161300000000, -0.0014370300000000 ] - [ 0.0009476800000000, -0.0017266400000000, -0.0033996600000000 ] - [ -0.0006560100000000, 0.0009406300000000, -0.0001361700000000 ] - [ -0.0002379600000000, -0.0000168700000000, -0.0010125100000000 ] - [ 0.0006230900000000, 0.0010232800000000, -0.0021561400000000 ] - [ 0.0001588200000000, -0.0000080200000000, -0.0008407600000000 ] - [ 0.0008931500000000, 0.0014838600000000, -0.0004786300000000 ] - [ -0.0015825700000000, 0.0040406600000000, 0.0006583100000000 ] - [ 0.0000949800000000, -0.0002497000000000, -0.0007740700000000 ] - [ -0.0000980100000000, -0.0001415500000000, -0.0023372600000000 ] - [ 0.0000926100000000, 0.0003576000000000, -0.0012964900000000 ] - [ -0.0022150100000000, 0.0000871800000000, 0.0012756200000000 ] - [ 0.0005822400000000, 0.0001988200000000, -0.0010492200000000 ] - [ 0.0011426200000000, 0.0000978100000000, -0.0001361700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085727700000000 ] - [ -0.0016904500000000, 0.0030722800000000, 0.0017149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011099400000000 ] - [ -0.0001189400000000, -0.0006036500000000, -0.0010492200000000 ] - [ -0.0000863600000000, -0.0001335400000000, -0.0008407600000000 ] - [ 0.0010270300000000, 0.0015039700000000, -0.0004291000000000 ] - [ 0.0001335900000000, -0.0001976500000000, -0.0010125100000000 ] - [ -0.0017316300000000, 0.0000315600000000, -0.0004786300000000 ] - [ -0.0016189700000000, 0.0001377900000000, -0.0003513800000000 ] - [ -0.0005618900000000, -0.0000179300000000, -0.0014372700000000 ] - [ -0.0026689000000000, 0.0031558500000000, 0.0007308400000000 ] - [ 0.0006107800000000, -0.0009606700000000, -0.0016693600000000 ] - [ 0.0002124100000000, -0.0006175700000000, -0.0012796300000000 ] - [ 0.0002405800000000, 0.0007241000000000, 0.0019784300000000 ] - [ -0.0019691600000000, 0.0000426000000000, -0.0033996600000000 ] - [ 0.0040675000000000, 0.0007334100000000, 0.0007308400000000 ] - [ -0.0010998900000000, 0.0001317000000000, -0.0007164700000000 ] - [ 0.0008384800000000, -0.0015154200000000, -0.0004786300000000 ] - [ 0.0002633900000000, -0.0002590000000000, -0.0012964900000000 ] - [ -0.0000703900000000, 0.0004661800000000, -0.0005984800000000 ] - [ -0.0005075000000000, 0.0006712200000000, 0.0020690800000000 ] - [ -0.0000735800000000, 0.0001556500000000, -0.0023372600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041807700000000 ] - [ 0.0001715900000000, -0.0000141000000000, -0.0023372600000000 ] - [ 0.0419593500000000, -0.0747014500000000, 0.1189951400000000 ] - [ -0.0003560000000000, -0.0000986000000000, -0.0012964900000000 ] - [ -0.0018159900000000, 0.0001374500000000, -0.0004291000000000 ] - [ -0.0007473800000000, -0.0001537000000000, 0.0019784300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008086000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018982000000000 ] - [ -0.0003275400000000, -0.0007751200000000, 0.0020690800000000 ] - [ -0.0002637300000000, 0.0000425900000000, -0.0007740700000000 ] - [ -0.0003685300000000, -0.0002940500000000, -0.0005984800000000 ] - [ 0.0042906000000000, -0.0006497900000000, 0.0006583100000000 ] - [ 0.0001687500000000, 0.0002071000000000, -0.0007740700000000 ] - [ 0.0007889600000000, -0.0016414200000000, -0.0004291000000000 ] - [ -0.0011373500000000, -0.0000486200000000, -0.0016693600000000 ] - [ -0.0004866100000000, -0.0010384400000000, -0.0001361700000000 ] - [ -0.0004633100000000, 0.0004048300000000, -0.0010492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021553900000000 ] - [ 0.0006071400000000, -0.0010193300000000, -0.0014370300000000 ] - [ 0.0005792000000000, 0.0010354600000000, -0.0014370300000000 ] - [ 0.0009288100000000, 0.0013331800000000, -0.0003513800000000 ] - [ 0.0010214700000000, 0.0016840400000000, -0.0033996600000000 ] - [ -0.0011977300000000, 0.0000279700000000, -0.0021561400000000 ] - [ 0.0002964700000000, -0.0004776400000000, -0.0014372700000000 ] - [ 0.0005746400000000, -0.0010512500000000, -0.0021561400000000 ] - [ 0.0437136800000000, 0.0736885900000000, 0.1189951400000000 ] - [ 0.0035058900000000, -0.0000721700000000, 0.0017149700000000 ] - [ 0.0005068000000000, -0.0005704000000000, 0.0019784300000000 ] - [ 0.0010320000000000, -0.0019618400000000, 0.0012756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017566900000000 ] - [ 0.0006901600000000, -0.0014709700000000, -0.0003513800000000 ] - [ 0.0004389200000000, -0.0001721300000000, -0.0005984800000000 ] - [ -0.0856730300000000, 0.0010128600000000, 0.1189951400000000 ] - [ -0.0018154500000000, -0.0030001100000000, 0.0017149700000000 ] - [ 0.0005265700000000, 0.0010092800000000, -0.0016693600000000 ] - [ 0.0004358900000000, -0.0010183900000000, -0.0007164700000000 ] - [ 0.0000540400000000, -0.0000286700000000, -0.0010769200000000 ] - [ -0.0000641700000000, -0.0001363800000000, 0.0042893800000000 ] - [ -0.0003491300000000, -0.0005575100000000, -0.0008329300000000 ] - [ -0.0013988100000000, 0.0019506700000000, 0.0004534700000000 ] - [ 0.0002707700000000, -0.0000115100000000, -0.0009670000000000 ] - [ 0.0006573800000000, -0.0000236000000000, -0.0008329300000000 ] - [ -0.0001453500000000, -0.0002287400000000, -0.0009670000000000 ] - [ 0.0023887300000000, 0.0002360700000000, 0.0004534700000000 ] - [ -0.0000021900000000, 0.0000611400000000, -0.0010769200000000 ] - [ 0.0001387400000000, -0.0002772200000000, -0.0014144600000000 ] - [ -0.0000518500000000, -0.0000324600000000, -0.0010769200000000 ] - [ -0.0001254200000000, 0.0002402500000000, -0.0009670000000000 ] - [ 0.0001707100000000, 0.0002587600000000, -0.0014144600000000 ] - [ -0.0009899200000000, -0.0021867400000000, 0.0004534700000000 ] - [ -0.0003094500000000, 0.0000184600000000, -0.0014144600000000 ] - [ 0.0001501900000000, 0.0000126100000000, 0.0042893800000000 ] - [ -0.0003082500000000, 0.0005811100000000, -0.0008329300000000 ] - [ -0.0000860200000000, 0.0001237600000000, 0.0042893800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005783800000000, 0.0005076500000000, 0.0013415800000000 ] - [ 0.0002292300000000, -0.0001860000000000, -0.0004466100000000 ] - [ 0.0000986800000000, 0.0006478700000000, 0.0014488700000000 ] - [ -0.0008261100000000, -0.0015572400000000, -0.0017740600000000 ] - [ 0.0000202800000000, -0.0005198700000000, -0.0002142100000000 ] - [ -0.0000814300000000, -0.0001890700000000, -0.0009121300000000 ] - [ 0.0002044600000000, 0.0000240200000000, -0.0009121300000000 ] - [ 0.0004400800000000, 0.0002775000000000, -0.0002142100000000 ] - [ -0.0028312200000000, -0.0005541300000000, 0.0047562300000000 ] - [ -0.0001230300000000, 0.0001650600000000, -0.0009121300000000 ] - [ 0.0000878300000000, -0.0002061700000000, -0.0005666700000000 ] - [ 0.0000559700000000, 0.0005292200000000, 0.0000249300000000 ] - [ -0.0000627500000000, -0.0001334800000000, -0.0018099700000000 ] - [ -0.0001450400000000, -0.0002233500000000, 0.0025755000000000 ] - [ 0.0060713600000000, -0.0000717200000000, -0.0053223200000000 ] - [ 0.0000464700000000, 0.0002915200000000, -0.0004466100000000 ] - [ -0.0002756900000000, -0.0001055100000000, -0.0004466100000000 ] - [ 0.0017616700000000, 0.0000631900000000, -0.0017740600000000 ] - [ -0.0000798200000000, 0.0002048000000000, -0.0010142600000000 ] - [ -0.0001436500000000, 0.0003199300000000, -0.0013228300000000 ] - [ 0.0001241300000000, -0.0006230300000000, -0.0011282200000000 ] - [ 0.0002059200000000, 0.0002150600000000, -0.0011284100000000 ] - [ 0.0066841400000000, 0.0110606500000000, -0.0042647200000000 ] - [ 0.0005117300000000, -0.0004093900000000, 0.0014488700000000 ] - [ 0.0002025200000000, -0.0001876400000000, -0.0008752300000000 ] - [ -0.0002052400000000, -0.0002843700000000, -0.0013228300000000 ] - [ -0.0000700000000000, 0.0000838500000000, -0.0011969400000000 ] - [ -0.0026466100000000, 0.0004963000000000, 0.0051983500000000 ] - [ -0.0129208700000000, 0.0002583100000000, -0.0042647200000000 ] - [ 0.0017531100000000, 0.0020438900000000, 0.0051983500000000 ] - [ 0.0003355900000000, 0.0006066800000000, -0.0011146200000000 ] - [ -0.0004603600000000, 0.0002423700000000, -0.0002142100000000 ] - [ 0.0002659400000000, -0.0000139400000000, 0.0025755000000000 ] - [ 0.0008935000000000, -0.0025401800000000, 0.0051983500000000 ] - [ -0.0004863000000000, -0.0002161400000000, 0.0000249300000000 ] - [ 0.0001346300000000, 0.0001791500000000, -0.0005666700000000 ] - [ -0.0006932000000000, -0.0000127100000000, -0.0011146200000000 ] - [ -0.0029735700000000, 0.0052938100000000, -0.0053223200000000 ] - [ 0.0003576100000000, -0.0005939700000000, -0.0011146200000000 ] - [ 0.0018955000000000, -0.0021748400000000, 0.0047562300000000 ] - [ 0.0001469700000000, 0.0000123900000000, -0.0018099700000000 ] - [ -0.0002224600000000, 0.0000270200000000, -0.0005666700000000 ] - [ -0.0000376200000000, -0.0001025400000000, -0.0011969400000000 ] - [ 0.0004774900000000, 0.0004190200000000, -0.0011282200000000 ] - [ 0.0000832800000000, -0.0002858600000000, -0.0011284100000000 ] - [ 0.0007288300000000, 0.0002470700000000, 0.0013415800000000 ] - [ -0.0000842200000000, 0.0001210900000000, -0.0018099700000000 ] - [ -0.0001374500000000, -0.0001715300000000, -0.0010142600000000 ] - [ -0.0002892000000000, 0.0000708000000000, -0.0011284100000000 ] - [ 0.0001076100000000, 0.0000187000000000, -0.0011969400000000 ] - [ -0.0001209000000000, 0.0002372800000000, 0.0025755000000000 ] - [ 0.0062367300000000, -0.0113189600000000, -0.0042647200000000 ] - [ -0.0009355600000000, 0.0014940600000000, -0.0017740600000000 ] - [ 0.0004303300000000, -0.0003130800000000, 0.0000249300000000 ] - [ -0.0006104100000000, -0.0002384800000000, 0.0014488700000000 ] - [ 0.0002172800000000, -0.0000332700000000, -0.0010142600000000 ] - [ -0.0006016200000000, 0.0002040100000000, -0.0011282200000000 ] - [ -0.0001504500000000, -0.0007547200000000, 0.0013415800000000 ] - [ -0.0002637600000000, -0.0000815700000000, -0.0008752300000000 ] - [ 0.0000612400000000, 0.0002692100000000, -0.0008752300000000 ] - [ 0.0003488900000000, -0.0000355600000000, -0.0013228300000000 ] - [ -0.0030977900000000, -0.0052220900000000, -0.0053223200000000 ] - [ 0.0009357200000000, 0.0027289700000000, 0.0047562300000000 ] - [ 0.0067627600000000, 0.0001055400000000, -0.0000526600000000 ] - [ 0.0006613300000000, 0.0012874700000000, -0.0024074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014221200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051289700000000 ] - [ 0.0003865900000000, 0.0002390600000000, -0.0033153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032993000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027799800000000 ] - [ 0.0019582500000000, -0.0033998300000000, 0.0000568500000000 ] - [ 0.0019652200000000, 0.0033958100000000, 0.0000568500000000 ] - [ -0.0004003200000000, 0.0002152700000000, -0.0033153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0111898000000000 ] - [ -0.0039234600000000, 0.0000040200000000, 0.0000568500000000 ] - [ -0.0032899800000000, -0.0059094900000000, -0.0000526600000000 ] - [ -0.0034727800000000, 0.0058039500000000, -0.0000526600000000 ] - [ 0.0000137400000000, -0.0004543200000000, -0.0033153300000000 ] - [ 0.0007843200000000, -0.0012164700000000, -0.0024074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.7065472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023340900000000 ] - [ -0.0014456500000000, -0.0000710100000000, -0.0024074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001813500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000370200000000 ] - [ 0.0001889300000000, -0.0003431000000000, 0.0011080300000000 ] - [ -0.0002371100000000, -0.0007082800000000, 0.0012842000000000 ] - [ 0.0020354700000000, 0.0038920500000000, -0.0003127800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3424352000000000 ] - [ 0.0000918900000000, 0.0000556400000000, 0.0003613300000000 ] - [ -0.0002801200000000, -0.0002313300000000, 0.0011829900000000 ] - [ 0.0003403900000000, -0.0001269300000000, 0.0011829900000000 ] - [ 0.0000011200000000, -0.0003505700000000, 0.0009331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012323900000000 ] - [ -0.0010934100000000, -0.0018708500000000, -0.0008568800000000 ] - [ 0.0022112500000000, 0.0037752000000000, -0.0002918700000000 ] - [ 0.0002680300000000, -0.0001024800000000, -0.0012879800000000 ] - [ -0.0004722300000000, -0.0000320900000000, 0.0004887100000000 ] - [ -0.0007612300000000, 0.0014741300000000, 0.0027763300000000 ] - [ 0.0005663100000000, -0.0010976600000000, -0.0000606200000000 ] - [ -0.0000941300000000, 0.0000517600000000, 0.0003613300000000 ] - [ 0.0002474500000000, 0.0003879700000000, 0.0012096400000000 ] - [ -0.0003916000000000, 0.0000079300000000, 0.0011080300000000 ] - [ -0.0006157200000000, -0.0010325500000000, 0.0002272400000000 ] - [ 0.0021638000000000, -0.0038026000000000, -0.0002918700000000 ] - [ -0.0002148000000000, 0.0004580800000000, 0.0007787800000000 ] - [ -0.0000370800000000, -0.0000914400000000, 0.0019746000000000 ] - [ -0.0000981500000000, -0.0000543800000000, 0.0007914300000000 ] - [ 0.0021669100000000, -0.0000115000000000, -0.0008568800000000 ] - [ -0.0003552000000000, -0.0005924100000000, 0.0007329400000000 ] - [ -0.0012337500000000, 0.0000583900000000, -0.0000606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086503700000000 ] - [ 0.0016096000000000, -0.0024508200000000, -0.0013562700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027537300000000 ] - [ -0.0003354400000000, 0.0006038200000000, 0.0007329400000000 ] - [ 0.0002026700000000, 0.0003351700000000, 0.0011080300000000 ] - [ -0.0012493100000000, -0.0015162900000000, 0.0000911200000000 ] - [ 0.0000022400000000, -0.0001074000000000, 0.0003613300000000 ] - [ 0.0012020700000000, -0.0000169600000000, 0.0002272400000000 ] - [ 0.0018903700000000, 0.0003374100000000, 0.0000987600000000 ] - [ 0.0003030400000000, 0.0001762600000000, 0.0009331600000000 ] - [ 0.0023528800000000, -0.0037088000000000, -0.0003127800000000 ] - [ -0.0004853000000000, 0.0009605500000000, 0.0011713400000000 ] - [ -0.0000602800000000, 0.0003582500000000, 0.0011829900000000 ] - [ -0.0003228700000000, -0.0008723800000000, -0.0016770500000000 ] - [ 0.0016572400000000, -0.0000778200000000, 0.0027763300000000 ] - [ -0.0043883500000000, -0.0001832500000000, -0.0003127800000000 ] - [ 0.0007319500000000, 0.0001488000000000, 0.0012842000000000 ] - [ -0.0005863500000000, 0.0010495000000000, 0.0002272400000000 ] - [ 0.0000019800000000, 0.0001121800000000, 0.0007914300000000 ] - [ -0.0002972100000000, -0.0007469100000000, 0.0011663200000000 ] - [ -0.0000452600000000, 0.0002833600000000, -0.0012879800000000 ] - [ -0.0000606500000000, 0.0000778300000000, 0.0019746000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031477700000000 ] - [ 0.0000977300000000, 0.0000136100000000, 0.0019746000000000 ] - [ -0.0428918600000000, 0.0763637400000000, -0.1181583100000000 ] - [ 0.0000961600000000, -0.0000578100000000, 0.0007914300000000 ] - [ 0.0019378000000000, -0.0003237900000000, 0.0000911200000000 ] - [ 0.0009169400000000, 0.0001565700000000, -0.0016770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007735300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027988500000000 ] - [ -0.0002227700000000, -0.0001808800000000, -0.0012879800000000 ] - [ 0.0005041100000000, -0.0000430100000000, 0.0007787800000000 ] - [ 0.0007954400000000, 0.0001160600000000, 0.0011663200000000 ] - [ -0.0043750500000000, 0.0000274000000000, -0.0002918700000000 ] - [ -0.0002893100000000, -0.0004150700000000, 0.0007787800000000 ] - [ -0.0006884900000000, 0.0018400700000000, 0.0000911200000000 ] - [ 0.0010745100000000, -0.0000599900000000, 0.0011713400000000 ] - [ 0.0006674400000000, 0.0010392700000000, -0.0000606200000000 ] - [ 0.0006906400000000, -0.0000114100000000, 0.0007329400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038050000000000 ] - [ 0.0002639100000000, -0.0003929100000000, 0.0004887100000000 ] - [ 0.0002083200000000, 0.0004250100000000, 0.0004887100000000 ] - [ -0.0006529800000000, -0.0018058100000000, 0.0000987600000000 ] - [ -0.0008960200000000, -0.0013963000000000, 0.0027763300000000 ] - [ -0.0004597100000000, 0.0000203200000000, 0.0012096400000000 ] - [ -0.0003041700000000, 0.0001743100000000, 0.0009331600000000 ] - [ 0.0002122600000000, -0.0004082800000000, 0.0012096400000000 ] - [ -0.0446870100000000, -0.0753273200000000, -0.1181583100000000 ] - [ -0.0029272700000000, -0.0001685500000000, -0.0013562700000000 ] - [ -0.0005940600000000, 0.0007158000000000, -0.0016770500000000 ] - [ -0.0010735000000000, 0.0018823500000000, -0.0008568800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016677600000000 ] - [ -0.0012373900000000, 0.0014684000000000, 0.0000987600000000 ] - [ -0.0004982400000000, 0.0006308400000000, 0.0011663200000000 ] - [ 0.0875788700000000, -0.0010364300000000, -0.1181583100000000 ] - [ 0.0013176700000000, 0.0026193600000000, -0.0013562700000000 ] - [ -0.0005892100000000, -0.0009005600000000, 0.0011713400000000 ] - [ -0.0004948400000000, 0.0005594800000000, 0.0012842000000000 ] - [ -0.0000080400000000, -0.0000499800000000, 0.0010324500000000 ] - [ -0.0000332200000000, -0.0000682200000000, -0.0041060000000000 ] - [ 0.0003578000000000, 0.0005557900000000, 0.0009924600000000 ] - [ 0.0009320500000000, -0.0019494900000000, -0.0001422900000000 ] - [ -0.0002454000000000, -0.0000324700000000, 0.0010250100000000 ] - [ -0.0006602300000000, 0.0000319700000000, 0.0009924600000000 ] - [ 0.0000945800000000, 0.0002287600000000, 0.0010250100000000 ] - [ -0.0021543300000000, 0.0001675600000000, -0.0001422900000000 ] - [ 0.0000473100000000, 0.0000180200000000, 0.0010324500000000 ] - [ -0.0001312800000000, 0.0002964100000000, 0.0007036800000000 ] - [ -0.0000392600000000, 0.0000319600000000, 0.0010324500000000 ] - [ 0.0001508200000000, -0.0001962900000000, 0.0010250100000000 ] - [ -0.0001910600000000, -0.0002619000000000, 0.0007036800000000 ] - [ 0.0012222800000000, 0.0017819200000000, -0.0001422900000000 ] - [ 0.0003223400000000, -0.0000345100000000, 0.0007036800000000 ] - [ 0.0000756900000000, 0.0000053400000000, -0.0041060000000000 ] - [ 0.0003024300000000, -0.0005877600000000, 0.0009924600000000 ] - [ -0.0000424700000000, 0.0000628800000000, -0.0041060000000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000358200000000, 0.0003315200000000, 0.0003142100000000 ] - [ -0.0013117000000000, -0.0005789200000000, -0.0042199300000000 ] - [ -0.0002736200000000, 0.0000579300000000, 0.0002939900000000 ] - [ 0.0017242200000000, 0.0006481800000000, 0.0012435000000000 ] - [ -0.0002371500000000, 0.0002056300000000, -0.0002737100000000 ] - [ -0.0001057000000000, -0.0005306900000000, -0.0009629700000000 ] - [ -0.0002312500000000, -0.0000370300000000, 0.0000401400000000 ] - [ -0.0002371500000000, -0.0002056300000000, -0.0002737100000000 ] - [ -0.0000406400000000, 0.0000522300000000, 0.0000492000000000 ] - [ -0.0000882000000000, 0.0004051400000000, 0.0009066600000000 ] - [ 0.0017242200000000, -0.0006481800000000, 0.0012435000000000 ] - [ 0.0000524600000000, -0.0001815400000000, -0.0000527300000000 ] - [ 0.0022410900000000, 0.0006734300000000, -0.0014623000000000 ] - [ -0.0000178600000000, -0.0001361700000000, 0.0003127100000000 ] - [ 0.0002607300000000, 0.0000297000000000, -0.0001859100000000 ] - [ -0.0013117000000000, 0.0005789200000000, -0.0042199300000000 ] - [ 0.0000452100000000, 0.0000000000000000, 0.0089085900000000 ] - [ 0.0008841400000000, -0.0007979800000000, -0.0005144100000000 ] - [ 0.0082563800000000, 0.0060601000000000, -0.0005940400000000 ] - [ 0.0022410900000000, -0.0006734300000000, -0.0014623000000000 ] - [ -0.0002312500000000, 0.0000370300000000, 0.0000401400000000 ] - [ -0.0039451600000000, 0.0044147800000000, -0.0009670800000000 ] - [ -0.0000358200000000, -0.0003315200000000, 0.0003142100000000 ] - [ -0.0001947000000000, 0.0000000000000000, -0.0001717700000000 ] - [ 0.0042704300000000, 0.0000000000000000, 0.0003012900000000 ] - [ -0.0003249400000000, -0.0012182800000000, 0.0002640700000000 ] - [ -0.0012806600000000, -0.0027425900000000, 0.0062383600000000 ] - [ -0.0000716400000000, -0.0000366700000000, 0.0001988400000000 ] - [ 0.0003145000000000, 0.0003187600000000, 0.0003691700000000 ] - [ -0.0000178600000000, 0.0001361700000000, 0.0003127100000000 ] - [ 0.0012480200000000, 0.0000000000000000, 0.0001377300000000 ] - [ 0.0001744500000000, 0.0000000000000000, -0.0001187300000000 ] - [ -0.0000052400000000, 0.0000562300000000, 0.0002394700000000 ] - [ -0.0000052400000000, -0.0000562300000000, 0.0002394700000000 ] - [ 0.0002607300000000, -0.0000297000000000, -0.0001859100000000 ] - [ -0.0003398700000000, -0.0008415900000000, -0.0003764800000000 ] - [ -0.0000543000000000, -0.0001016300000000, -0.0000386000000000 ] - [ 0.0000524600000000, 0.0001815400000000, -0.0000527300000000 ] - [ -0.0000543000000000, 0.0001016300000000, -0.0000386000000000 ] - [ -0.0000406400000000, -0.0000522300000000, 0.0000492000000000 ] - [ 0.0011743400000000, -0.0012024100000000, 0.0003215500000000 ] - [ 0.0008841400000000, 0.0007979800000000, -0.0005144100000000 ] - [ -0.0012806600000000, 0.0027425900000000, 0.0062383600000000 ] - [ -0.0001057000000000, 0.0005306900000000, -0.0009629700000000 ] - [ 0.0082563800000000, -0.0060601000000000, -0.0005940400000000 ] - [ 0.0003145000000000, -0.0003187600000000, 0.0003691700000000 ] - [ -0.0003249400000000, 0.0012182800000000, 0.0002640700000000 ] - [ 0.0107735200000000, -0.0099504600000000, 0.0017280500000000 ] - [ 0.0107735200000000, 0.0099504600000000, 0.0017280500000000 ] - [ 0.0038086500000000, 0.0000000000000000, -0.0129206800000000 ] - [ -0.0000716400000000, 0.0000366700000000, 0.0001988400000000 ] - [ 0.0001158000000000, -0.0000612400000000, -0.0000462300000000 ] - [ -0.0003398700000000, 0.0008415900000000, -0.0003764800000000 ] - [ -0.0001756200000000, 0.0002062300000000, -0.0001449100000000 ] - [ -0.0002736200000000, -0.0000579300000000, 0.0002939900000000 ] - [ -0.0039451600000000, -0.0044147800000000, -0.0009670800000000 ] - [ -0.0000882000000000, -0.0004051400000000, 0.0009066600000000 ] - [ 0.0001158000000000, 0.0000612400000000, -0.0000462300000000 ] - [ 0.0007413500000000, 0.0017971800000000, 0.0002913800000000 ] - [ 0.0007413500000000, -0.0017971800000000, 0.0002913800000000 ] - [ 0.0011743400000000, 0.0012024100000000, 0.0003215500000000 ] - [ -0.0001756200000000, -0.0002062300000000, -0.0001449100000000 ] - [ 0.0002747500000000, 0.0000000000000000, 0.0000801200000000 ] - [ -0.0001920900000000, -0.0004404800000000, -0.0006149000000000 ] - [ -0.0047414100000000, -0.0062626300000000, 0.0017875700000000 ] - [ 0.0010250900000000, -0.0004579400000000, 0.0000808500000000 ] - [ 0.0036906700000000, 0.0037300800000000, -0.0004907600000000 ] - [ -0.0057898800000000, 0.0079194000000000, -0.0031584600000000 ] - [ 0.0036906700000000, -0.0037300800000000, -0.0004907600000000 ] - [ -0.0002690700000000, 0.0000000000000000, 0.0004485500000000 ] - [ -0.0012797100000000, 0.0000000000000000, -0.0003514700000000 ] - [ 0.0000092100000000, 0.0004363300000000, -0.0001285400000000 ] - [ 0.0000655600000000, 0.0000000000000000, -0.0004620700000000 ] - [ 0.0070468600000000, 0.0000000000000000, 0.0062084300000000 ] - [ 0.0010250900000000, 0.0004579400000000, 0.0000808500000000 ] - [ 0.0000092100000000, -0.0004363300000000, -0.0001285400000000 ] - [ 0.0004121700000000, 0.0000000000000000, 0.0021113900000000 ] - [ -0.0001920900000000, 0.0004404800000000, -0.0006149000000000 ] - [ -0.0057898800000000, -0.0079194000000000, -0.0031584600000000 ] - [ 0.0063149200000000, 0.0000000000000000, -0.0032319700000000 ] - [ 0.0001154900000000, -0.0000040300000000, -0.0002990600000000 ] - [ 0.0001154900000000, 0.0000040300000000, -0.0002990600000000 ] - [ -0.7142440799999999, 0.0000000000000000, -0.0067964500000000 ] - [ -0.0047414100000000, 0.0062626300000000, 0.0017875700000000 ] - [ -0.0003592200000000, -0.0000118900000000, -0.0001187800000000 ] - [ -0.0003592200000000, 0.0000118900000000, -0.0001187800000000 ] - [ 0.0001930800000000, 0.0000000000000000, 0.0001614800000000 ] - [ 0.1477490400000000, -0.1071015200000000, 0.0448314400000000 ] - [ 0.0015304800000000, 0.0047748300000000, -0.0029671100000000 ] - [ -0.0003450500000000, 0.0000000000000000, -0.0002212500000000 ] - [ -0.0000552000000000, -0.0000065300000000, 0.0005356700000000 ] - [ -0.0000815100000000, 0.0002808500000000, -0.0002903700000000 ] - [ 0.0000594600000000, -0.0027029400000000, 0.0008782400000000 ] - [ -0.0050779900000000, 0.0000000000000000, -0.0019011300000000 ] - [ -0.0022185000000000, 0.0000456100000000, -0.0021741100000000 ] - [ 0.0881664100000000, 0.0000000000000000, 0.0004569800000000 ] - [ -0.0000188400000000, 0.0000000000000000, 0.0002925400000000 ] - [ -0.0002191700000000, 0.0000149200000000, -0.0002670500000000 ] - [ 0.0007121200000000, 0.0000000000000000, 0.0004633400000000 ] - [ -0.0033477600000000, -0.0000143400000000, -0.0007756500000000 ] - [ -0.0000815100000000, -0.0002808500000000, -0.0002903700000000 ] - [ 0.0000537100000000, -0.0003493400000000, 0.0006624700000000 ] - [ -0.0007825400000000, -0.0001450200000000, -0.0005907900000000 ] - [ -0.0023902600000000, -0.0020177400000000, -0.0001633200000000 ] - [ 0.3176570500000000, 0.0000000000000000, -0.0830606200000000 ] - [ 0.0000672300000000, 0.0001994700000000, 0.0000449500000000 ] - [ 0.0006108200000000, 0.0000657400000000, 0.0004035900000000 ] - [ 0.0006018100000000, -0.0002820100000000, -0.0001710400000000 ] - [ 0.0017431300000000, -0.0036533900000000, 0.0014468200000000 ] - [ 0.0010321400000000, 0.0055746900000000, 0.0015155200000000 ] - [ 0.0000036500000000, 0.0000864600000000, 0.0001934400000000 ] - [ 0.0002764700000000, 0.0019919700000000, 0.0000222600000000 ] - [ 0.0000537100000000, 0.0003493400000000, 0.0006624700000000 ] - [ -0.0001889200000000, -0.0001137100000000, -0.0000157500000000 ] - [ 0.0000338800000000, 0.0001724000000000, 0.0004341200000000 ] - [ -0.0009814100000000, 0.0006486000000000, 0.0008103200000000 ] - [ -0.0038516700000000, 0.0000000000000000, -0.0005519200000000 ] - [ 0.1477490400000000, 0.1071015200000000, 0.0448314400000000 ] - [ -0.0003190400000000, 0.0000000000000000, -0.0001381300000000 ] - [ -0.0005947100000000, 0.0002128100000000, -0.0000905000000000 ] - [ -0.0001746200000000, 0.0000437900000000, -0.0001542700000000 ] - [ 0.0001929900000000, 0.0003612700000000, -0.0002593500000000 ] - [ 0.0038742100000000, 0.0003018400000000, -0.0000923600000000 ] - [ -0.0002753400000000, -0.0005844500000000, 0.0004334400000000 ] - [ -0.0009697200000000, 0.0000000000000000, 0.0017821000000000 ] - [ 0.0000594600000000, 0.0027029400000000, 0.0008782400000000 ] - [ -0.0001063500000000, -0.0000932400000000, 0.0001569800000000 ] - [ -0.0007825400000000, 0.0001450200000000, -0.0005907900000000 ] - [ -0.0002753400000000, 0.0005844500000000, 0.0004334400000000 ] - [ 0.0025124000000000, -0.0005874500000000, 0.0009377200000000 ] - [ 0.0001929900000000, -0.0003612700000000, -0.0002593500000000 ] - [ -0.0022185000000000, -0.0000456100000000, -0.0021741100000000 ] - [ 0.0025124000000000, 0.0005874500000000, 0.0009377200000000 ] - [ -0.0001677800000000, 0.0004505400000000, 0.0003738900000000 ] - [ 0.0017431300000000, 0.0036533900000000, 0.0014468200000000 ] - [ -0.0000552000000000, 0.0000065300000000, 0.0005356700000000 ] - [ -0.0041740900000000, 0.0000000000000000, -0.0034797700000000 ] - [ -0.0001063500000000, 0.0000932400000000, 0.0001569800000000 ] - [ 0.0038742100000000, -0.0003018400000000, -0.0000923600000000 ] - [ 0.0000330600000000, 0.0000207800000000, -0.0001819700000000 ] - [ 0.0000173300000000, 0.0000333000000000, 0.0001688200000000 ] - [ -0.0001889200000000, 0.0001137100000000, -0.0000157500000000 ] - [ 0.0000837500000000, 0.0000000000000000, -0.0004333600000000 ] - [ -0.0001677800000000, -0.0004505400000000, 0.0003738900000000 ] - [ 0.0014729500000000, 0.0000000000000000, 0.0003672200000000 ] - [ 0.0015304800000000, -0.0047748300000000, -0.0029671100000000 ] - [ 0.0000338800000000, -0.0001724000000000, 0.0004341200000000 ] - [ 0.0006018100000000, 0.0002820100000000, -0.0001710400000000 ] - [ 0.0000330600000000, -0.0000207800000000, -0.0001819700000000 ] - [ 0.0009179700000000, -0.0011993000000000, -0.0012697600000000 ] - [ -0.0002848600000000, 0.0000000000000000, -0.0016151100000000 ] - [ 0.0002764700000000, -0.0019919700000000, 0.0000222600000000 ] - [ -0.0009814100000000, -0.0006486000000000, 0.0008103200000000 ] - [ -0.0023902600000000, 0.0020177400000000, -0.0001633200000000 ] - [ 0.0000755400000000, 0.0023680500000000, -0.0005227800000000 ] - [ 0.0000672300000000, -0.0001994700000000, 0.0000449500000000 ] - [ -0.0005947100000000, -0.0002128100000000, -0.0000905000000000 ] - [ -0.0033477600000000, 0.0000143400000000, -0.0007756500000000 ] - [ 0.0010321400000000, -0.0055746900000000, 0.0015155200000000 ] - [ 0.0000755400000000, -0.0023680500000000, -0.0005227800000000 ] - [ -0.0000651500000000, -0.0000769300000000, 0.0001530900000000 ] - [ 0.0006108200000000, -0.0000657400000000, 0.0004035900000000 ] - [ -0.0000651500000000, 0.0000769300000000, 0.0001530900000000 ] - [ 0.0000036500000000, -0.0000864600000000, 0.0001934400000000 ] - [ 0.0031887500000000, 0.0000000000000000, -0.0000280200000000 ] - [ -0.0001746200000000, -0.0000437900000000, -0.0001542700000000 ] - [ -0.0027129000000000, -0.0005700600000000, 0.0028571900000000 ] - [ 0.0000173300000000, -0.0000333000000000, 0.0001688200000000 ] - [ -0.0002191700000000, -0.0000149200000000, -0.0002670500000000 ] - [ 0.0009179700000000, 0.0011993000000000, -0.0012697600000000 ] - [ -0.0027129000000000, 0.0005700600000000, 0.0028571900000000 ] - [ -0.0016609000000000, 0.0034176900000000, -0.0013135900000000 ] - [ -0.0000177000000000, -0.0001886000000000, 0.0000017700000000 ] - [ 0.0001022200000000, 0.0001591500000000, 0.0003037300000000 ] - [ -0.0002685900000000, 0.0000000000000000, 0.0001310900000000 ] - [ -0.0012609000000000, 0.0033416000000000, 0.0022526300000000 ] - [ 0.0001022200000000, -0.0001591500000000, 0.0003037300000000 ] - [ -0.0071143700000000, 0.0000000000000000, -0.0044501900000000 ] - [ 0.0001455500000000, 0.0001592500000000, 0.0001891400000000 ] - [ -0.0016609000000000, -0.0034176900000000, -0.0013135900000000 ] - [ 0.0001162200000000, -0.0007540800000000, -0.0012927200000000 ] - [ -0.0077333900000000, 0.0000000000000000, 0.0025389700000000 ] - [ -0.0012609000000000, -0.0033416000000000, 0.0022526300000000 ] - [ -0.0012277000000000, 0.0000000000000000, 0.0015279300000000 ] - [ 0.0001455500000000, -0.0001592500000000, 0.0001891400000000 ] - [ 0.0001162200000000, 0.0007540800000000, -0.0012927200000000 ] - [ 0.0000101600000000, 0.0000000000000000, 0.0002970400000000 ] - [ -0.0001819400000000, 0.0000000000000000, -0.0003715500000000 ] - [ -0.0000177000000000, 0.0001886000000000, 0.0000017700000000 ]- atom: 83 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000889000000000, 0.0000952400000000, 0.0001123500000000 ] - [ 0.0011748400000000, 0.0007773600000000, 0.0045564600000000 ] - [ 0.0002153500000000, 0.0000516500000000, -0.0000174700000000 ] - [ -0.0017108800000000, -0.0009416000000000, -0.0010016700000000 ] - [ -0.0000155700000000, 0.0002388900000000, -0.0001708200000000 ] - [ -0.0001120900000000, 0.0001408800000000, 0.0009498800000000 ] - [ 0.0006833100000000, 0.0000458500000000, -0.0000558800000000 ] - [ -0.0000155700000000, -0.0002388900000000, -0.0001708200000000 ] - [ -0.0000892000000000, 0.0001839300000000, 0.0000692100000000 ] - [ -0.0001444100000000, -0.0000169200000000, -0.0009120200000000 ] - [ -0.0017108800000000, 0.0009416000000000, -0.0010016700000000 ] - [ -0.0001853100000000, -0.0002500100000000, -0.0002018000000000 ] - [ -0.0024300700000000, -0.0010973400000000, 0.0008770600000000 ] - [ 0.0000419800000000, -0.0000208200000000, 0.0001887100000000 ] - [ 0.0001723900000000, -0.0001355600000000, -0.0000732200000000 ] - [ 0.0011748400000000, -0.0007773600000000, 0.0045564600000000 ] - [ 0.0001876900000000, 0.0000000000000000, -0.0086377100000000 ] - [ -0.0006414500000000, 0.0009609300000000, 0.0007553300000000 ] - [ -0.0082189000000000, -0.0056805600000000, 0.0006946100000000 ] - [ -0.0024300700000000, 0.0010973400000000, 0.0008770600000000 ] - [ 0.0006833100000000, -0.0000458500000000, -0.0000558800000000 ] - [ 0.0041956100000000, -0.0042931500000000, 0.0010840700000000 ] - [ 0.0000889000000000, -0.0000952400000000, 0.0001123500000000 ] - [ 0.0003090800000000, 0.0000000000000000, 0.0004485100000000 ] - [ -0.0039894700000000, 0.0000000000000000, 0.0002918600000000 ] - [ 0.0000525100000000, 0.0008506500000000, -0.0008515500000000 ] - [ 0.0011338400000000, 0.0029268800000000, -0.0065504000000000 ] - [ -0.0000836200000000, -0.0000192400000000, 0.0003022500000000 ] - [ 0.0000245100000000, -0.0000666600000000, 0.0000576600000000 ] - [ 0.0000419800000000, 0.0000208200000000, 0.0001887100000000 ] - [ -0.0004962400000000, 0.0000000000000000, -0.0000932300000000 ] - [ 0.0003316500000000, 0.0000000000000000, -0.0003260300000000 ] - [ 0.0001346800000000, 0.0000444900000000, 0.0002599800000000 ] - [ 0.0001346800000000, -0.0000444900000000, 0.0002599800000000 ] - [ 0.0001723900000000, 0.0001355600000000, -0.0000732200000000 ] - [ 0.0000752800000000, 0.0007236100000000, 0.0006232400000000 ] - [ -0.0003265100000000, 0.0007482300000000, 0.0000758500000000 ] - [ -0.0001853100000000, 0.0002500100000000, -0.0002018000000000 ] - [ -0.0003265100000000, -0.0007482300000000, 0.0000758500000000 ] - [ -0.0000892000000000, -0.0001839300000000, 0.0000692100000000 ] - [ -0.0007091000000000, 0.0012494500000000, -0.0009067100000000 ] - [ -0.0006414500000000, -0.0009609300000000, 0.0007553300000000 ] - [ 0.0011338400000000, -0.0029268800000000, -0.0065504000000000 ] - [ -0.0001120900000000, -0.0001408800000000, 0.0009498800000000 ] - [ -0.0082189000000000, 0.0056805600000000, 0.0006946100000000 ] - [ 0.0000245100000000, 0.0000666600000000, 0.0000576600000000 ] - [ 0.0000525100000000, -0.0008506500000000, -0.0008515500000000 ] - [ -0.0110942600000000, 0.0098573300000000, -0.0015974200000000 ] - [ -0.0110942600000000, -0.0098573300000000, -0.0015974200000000 ] - [ -0.0035930700000000, 0.0000000000000000, 0.0126535600000000 ] - [ -0.0000836200000000, 0.0000192400000000, 0.0003022500000000 ] - [ -0.0005096200000000, 0.0002276400000000, 0.0004696100000000 ] - [ 0.0000752800000000, -0.0007236100000000, 0.0006232400000000 ] - [ -0.0001328800000000, 0.0001221900000000, -0.0001101000000000 ] - [ 0.0002153500000000, -0.0000516500000000, -0.0000174700000000 ] - [ 0.0041956100000000, 0.0042931500000000, 0.0010840700000000 ] - [ -0.0001444100000000, 0.0000169200000000, -0.0009120200000000 ] - [ -0.0005096200000000, -0.0002276400000000, 0.0004696100000000 ] - [ -0.0008766000000000, -0.0020359100000000, 0.0002983600000000 ] - [ -0.0008766000000000, 0.0020359100000000, 0.0002983600000000 ] - [ -0.0007091000000000, -0.0012494500000000, -0.0009067100000000 ] - [ -0.0001328800000000, -0.0001221900000000, -0.0001101000000000 ] - [ 0.0000013400000000, 0.0000000000000000, 0.0000348900000000 ] - [ 0.0002435500000000, 0.0003449000000000, 0.0012061900000000 ] - [ 0.0047133300000000, 0.0063965000000000, -0.0015462500000000 ] - [ -0.0010227600000000, 0.0004588000000000, 0.0000802600000000 ] - [ -0.0036817100000000, -0.0037531500000000, -0.0004890700000000 ] - [ 0.0061041700000000, -0.0074053200000000, 0.0030523200000000 ] - [ -0.0036817100000000, 0.0037531500000000, -0.0004890700000000 ] - [ 0.0002693500000000, 0.0000000000000000, 0.0004457400000000 ] - [ 0.0012706100000000, 0.0000000000000000, -0.0003525800000000 ] - [ 0.0002229200000000, -0.0000298900000000, -0.0003482900000000 ] - [ -0.0005276400000000, 0.0000000000000000, -0.0000185600000000 ] - [ -0.0076010400000000, 0.0000000000000000, -0.0062212300000000 ] - [ -0.0010227600000000, -0.0004588000000000, 0.0000802600000000 ] - [ 0.0002229200000000, 0.0000298900000000, -0.0003482900000000 ] - [ -0.0005124700000000, 0.0000000000000000, -0.0015324700000000 ] - [ 0.0002435500000000, -0.0003449000000000, 0.0012061900000000 ] - [ 0.0061041700000000, 0.0074053200000000, 0.0030523200000000 ] - [ -0.0061558400000000, 0.0000000000000000, 0.0034338200000000 ] - [ -0.0001151400000000, -0.0000060700000000, -0.0002995400000000 ] - [ -0.0001151400000000, 0.0000060700000000, -0.0002995400000000 ] - [ 0.7347457100000000, 0.0000000000000000, -0.0069827300000000 ] - [ 0.0047133300000000, -0.0063965000000000, -0.0015462500000000 ] - [ 0.0003562500000000, 0.0000144900000000, -0.0001197700000000 ] - [ 0.0003562500000000, -0.0000144900000000, -0.0001197700000000 ] - [ -0.0001911500000000, 0.0000000000000000, 0.0001616300000000 ] - [ -0.1466120700000000, 0.1025165900000000, -0.0427172600000000 ] - [ -0.0011171700000000, -0.0046144800000000, 0.0035233700000000 ] - [ 0.0009722900000000, 0.0000000000000000, 0.0006518500000000 ] - [ 0.0000545400000000, 0.0000071200000000, 0.0005355600000000 ] - [ 0.0002794800000000, -0.0000087800000000, -0.0003572300000000 ] - [ 0.0000892900000000, 0.0029558200000000, -0.0009663300000000 ] - [ 0.0047580200000000, 0.0000000000000000, 0.0017879700000000 ] - [ 0.0024886700000000, 0.0001082600000000, 0.0016539300000000 ] - [ -0.0882418700000000, 0.0000000000000000, 0.0004563800000000 ] - [ 0.0001008900000000, 0.0000000000000000, 0.0001622300000000 ] - [ -0.0002849300000000, 0.0003711600000000, 0.0006483900000000 ] - [ 0.0003981600000000, 0.0000000000000000, 0.0003444100000000 ] - [ 0.0016783300000000, -0.0000421600000000, -0.0001997000000000 ] - [ 0.0002794800000000, 0.0000087800000000, -0.0003572300000000 ] - [ -0.0001450300000000, 0.0001944500000000, -0.0008613000000000 ] - [ 0.0004461700000000, 0.0001779800000000, -0.0000582200000000 ] - [ 0.0032611900000000, 0.0034460500000000, -0.0008143400000000 ] - [ -0.3401620300000000, 0.0000000000000000, 0.0922193200000000 ] - [ 0.0002000200000000, 0.0002475100000000, -0.0002902800000000 ] - [ -0.0000312700000000, 0.0001747200000000, -0.0000244200000000 ] - [ -0.0007274900000000, 0.0005005800000000, 0.0001878300000000 ] - [ -0.0018936600000000, 0.0034052300000000, -0.0018243600000000 ] - [ -0.0010504300000000, -0.0052670300000000, -0.0020083200000000 ] - [ -0.0000479200000000, -0.0000133800000000, 0.0002616500000000 ] - [ -0.0000541600000000, -0.0023858000000000, -0.0003629800000000 ] - [ -0.0001450300000000, -0.0001944500000000, -0.0008613000000000 ] - [ 0.0001901200000000, 0.0001143300000000, -0.0000152600000000 ] - [ -0.0001068900000000, 0.0004420200000000, -0.0000548000000000 ] - [ 0.0009763400000000, -0.0006546300000000, 0.0008108900000000 ] - [ 0.0033936600000000, 0.0000000000000000, 0.0002176600000000 ] - [ -0.1466120700000000, -0.1025165900000000, -0.0427172600000000 ] - [ 0.0001039900000000, 0.0000000000000000, -0.0001971800000000 ] - [ 0.0007298900000000, -0.0005206400000000, -0.0005580200000000 ] - [ -0.0003565600000000, -0.0000330400000000, -0.0000920700000000 ] - [ 0.0000620700000000, 0.0001058200000000, 0.0000118100000000 ] - [ -0.0041444200000000, -0.0001257900000000, -0.0003971200000000 ] - [ -0.0000414200000000, 0.0000397800000000, -0.0000046700000000 ] - [ 0.0010979500000000, 0.0000000000000000, -0.0022711100000000 ] - [ 0.0000892900000000, -0.0029558200000000, -0.0009663300000000 ] - [ 0.0000231500000000, -0.0000590700000000, 0.0001601600000000 ] - [ 0.0004461700000000, -0.0001779800000000, -0.0000582200000000 ] - [ -0.0000414200000000, -0.0000397800000000, -0.0000046700000000 ] - [ -0.0028940600000000, 0.0008530700000000, -0.0004061600000000 ] - [ 0.0000620700000000, -0.0001058200000000, 0.0000118100000000 ] - [ 0.0024886700000000, -0.0001082600000000, 0.0016539300000000 ] - [ -0.0028940600000000, -0.0008530700000000, -0.0004061600000000 ] - [ -0.0003838600000000, 0.0005098200000000, 0.0004337900000000 ] - [ -0.0018936600000000, -0.0034052300000000, -0.0018243600000000 ] - [ 0.0000545400000000, -0.0000071200000000, 0.0005355600000000 ] - [ 0.0044150100000000, 0.0000000000000000, 0.0030552200000000 ] - [ 0.0000231500000000, 0.0000590700000000, 0.0001601600000000 ] - [ -0.0041444200000000, 0.0001257900000000, -0.0003971200000000 ] - [ 0.0000681100000000, -0.0002039000000000, -0.0001527700000000 ] - [ 0.0001516100000000, -0.0000298700000000, 0.0001494200000000 ] - [ 0.0001901200000000, -0.0001143300000000, -0.0000152600000000 ] - [ -0.0000815700000000, 0.0000000000000000, -0.0004359300000000 ] - [ -0.0003838600000000, -0.0005098200000000, 0.0004337900000000 ] - [ -0.0012090300000000, 0.0000000000000000, -0.0003502200000000 ] - [ -0.0011171700000000, 0.0046144800000000, 0.0035233700000000 ] - [ -0.0001068900000000, -0.0004420200000000, -0.0000548000000000 ] - [ -0.0007274900000000, -0.0005005800000000, 0.0001878300000000 ] - [ 0.0000681100000000, 0.0002039000000000, -0.0001527700000000 ] - [ -0.0009847100000000, 0.0010922000000000, 0.0007604500000000 ] - [ 0.0004586400000000, 0.0000000000000000, 0.0014236800000000 ] - [ -0.0000541600000000, 0.0023858000000000, -0.0003629800000000 ] - [ 0.0009763400000000, 0.0006546300000000, 0.0008108900000000 ] - [ 0.0032611900000000, -0.0034460500000000, -0.0008143400000000 ] - [ 0.0007073200000000, -0.0009169400000000, -0.0004498200000000 ] - [ 0.0002000200000000, -0.0002475100000000, -0.0002902800000000 ] - [ 0.0007298900000000, 0.0005206400000000, -0.0005580200000000 ] - [ 0.0016783300000000, 0.0000421600000000, -0.0001997000000000 ] - [ -0.0010504300000000, 0.0052670300000000, -0.0020083200000000 ] - [ 0.0007073200000000, 0.0009169400000000, -0.0004498200000000 ] - [ -0.0000206600000000, -0.0000613600000000, 0.0001671400000000 ] - [ -0.0000312700000000, -0.0001747200000000, -0.0000244200000000 ] - [ -0.0000206600000000, 0.0000613600000000, 0.0001671400000000 ] - [ -0.0000479200000000, 0.0000133800000000, 0.0002616500000000 ] - [ -0.0031818000000000, 0.0000000000000000, -0.0000297500000000 ] - [ -0.0003565600000000, 0.0000330400000000, -0.0000920700000000 ] - [ 0.0026414500000000, 0.0010196600000000, -0.0022898100000000 ] - [ 0.0001516100000000, 0.0000298700000000, 0.0001494200000000 ] - [ -0.0002849300000000, -0.0003711600000000, 0.0006483900000000 ] - [ -0.0009847100000000, -0.0010922000000000, 0.0007604500000000 ] - [ 0.0026414500000000, -0.0010196600000000, -0.0022898100000000 ] - [ 0.0017262400000000, -0.0034927600000000, 0.0012578300000000 ] - [ -0.0000994700000000, -0.0000165100000000, 0.0001993800000000 ] - [ -0.0001063200000000, -0.0001638500000000, -0.0001450800000000 ] - [ -0.0001885700000000, 0.0000000000000000, 0.0002073200000000 ] - [ 0.0013011700000000, -0.0033818900000000, -0.0022254900000000 ] - [ -0.0001063200000000, 0.0001638500000000, -0.0001450800000000 ] - [ 0.0070926400000000, 0.0000000000000000, 0.0044949400000000 ] - [ 0.0000877100000000, 0.0002388700000000, 0.0001493800000000 ] - [ 0.0017262400000000, 0.0034927600000000, 0.0012578300000000 ] - [ -0.0000956400000000, 0.0007728500000000, 0.0005879300000000 ] - [ 0.0076244600000000, 0.0000000000000000, -0.0026061200000000 ] - [ 0.0013011700000000, 0.0033818900000000, -0.0022254900000000 ] - [ 0.0012048800000000, 0.0000000000000000, -0.0022353300000000 ] - [ 0.0000877100000000, -0.0002388700000000, 0.0001493800000000 ] - [ -0.0000956400000000, -0.0007728500000000, 0.0005879300000000 ] - [ 0.0002296300000000, 0.0000000000000000, -0.0000948600000000 ] - [ 0.0001699700000000, 0.0000000000000000, 0.0005250600000000 ] - [ -0.0000994700000000, 0.0000165100000000, 0.0001993800000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000846500000000, 0.0006071200000000, 0.0008315200000000 ] - [ -0.0066055900000000, 0.0114412200000000, 0.0048976900000000 ] - [ 0.0007834500000000, -0.0013569700000000, 0.0020083500000000 ] - [ 0.0005895200000000, 0.0000451700000000, -0.0011784400000000 ] - [ -0.0001678400000000, 0.0002907000000000, 0.0013096300000000 ] - [ -0.0006918300000000, 0.0000574900000000, 0.0011226800000000 ] - [ 0.0002961300000000, -0.0006278800000000, 0.0011226800000000 ] - [ -0.0001678400000000, -0.0002907000000000, 0.0013096300000000 ] - [ -0.0000243700000000, 0.0000422100000000, 0.0011336400000000 ] - [ 0.0003957000000000, 0.0005704000000000, 0.0011226800000000 ] - [ 0.0005895200000000, -0.0000451700000000, -0.0011784400000000 ] - [ -0.0000581400000000, -0.0002271100000000, 0.0009094400000000 ] - [ -0.0006799700000000, -0.0007162400000000, -0.0002954900000000 ] - [ 0.0001884800000000, -0.0000995100000000, 0.0014258700000000 ] - [ 0.0002257600000000, -0.0000632100000000, 0.0009094400000000 ] - [ -0.0066055900000000, -0.0114412200000000, 0.0048976900000000 ] - [ 0.0132111800000000, 0.0000000000000000, 0.0048976900000000 ] - [ -0.0003338800000000, 0.0004879500000000, -0.0011784400000000 ] - [ 0.0026236100000000, 0.0007208400000000, -0.0048297800000000 ] - [ -0.0006799700000000, 0.0007162400000000, -0.0002954900000000 ] - [ 0.0002961300000000, 0.0006278800000000, 0.0011226800000000 ] - [ -0.0006875400000000, 0.0026325400000000, -0.0048297800000000 ] - [ -0.0000846500000000, -0.0006071200000000, 0.0008315200000000 ] - [ -0.0015669000000000, 0.0000000000000000, 0.0020083500000000 ] - [ -0.0000707600000000, 0.0000000000000000, -0.0020426300000000 ] - [ -0.0002802900000000, -0.0009469900000000, -0.0002954900000000 ] - [ 0.0029366300000000, -0.0050863900000000, 0.0051709900000000 ] - [ -0.0001804200000000, 0.0001134700000000, 0.0014258700000000 ] - [ 0.0005681100000000, 0.0002302500000000, 0.0008315200000000 ] - [ 0.0001884800000000, 0.0000995100000000, 0.0014258700000000 ] - [ 0.0003751100000000, 0.0000000000000000, 0.0009277300000000 ] - [ 0.0003356700000000, 0.0000000000000000, 0.0013096300000000 ] - [ -0.0000080600000000, 0.0002129800000000, 0.0014258700000000 ] - [ -0.0000080600000000, -0.0002129800000000, 0.0014258700000000 ] - [ 0.0002257600000000, 0.0000632100000000, 0.0009094400000000 ] - [ -0.0002556400000000, 0.0005331200000000, -0.0011784400000000 ] - [ -0.0001875600000000, 0.0003248600000000, 0.0009277300000000 ] - [ -0.0000581400000000, 0.0002271100000000, 0.0009094400000000 ] - [ -0.0001875600000000, -0.0003248600000000, 0.0009277300000000 ] - [ -0.0000243700000000, -0.0000422100000000, 0.0011336400000000 ] - [ 0.0009602700000000, -0.0002307500000000, -0.0002954900000000 ] - [ -0.0003338800000000, -0.0004879500000000, -0.0011784400000000 ] - [ 0.0029366300000000, 0.0050863900000000, 0.0051709900000000 ] - [ -0.0006918300000000, -0.0000574900000000, 0.0011226800000000 ] - [ 0.0026236100000000, -0.0007208400000000, -0.0048297800000000 ] - [ 0.0005681100000000, -0.0002302500000000, 0.0008315200000000 ] - [ -0.0002802900000000, 0.0009469900000000, -0.0002954900000000 ] - [ -0.0019360700000000, 0.0019116900000000, -0.0048297800000000 ] - [ -0.0019360700000000, -0.0019116900000000, -0.0048297800000000 ] - [ -0.0058732500000000, 0.0000000000000000, 0.0051709900000000 ] - [ -0.0001804200000000, -0.0001134700000000, 0.0014258700000000 ] - [ -0.0004834600000000, 0.0003768700000000, 0.0008315200000000 ] - [ -0.0002556400000000, -0.0005331200000000, -0.0011784400000000 ] - [ -0.0001676200000000, 0.0001639100000000, 0.0009094400000000 ] - [ 0.0007834500000000, 0.0013569700000000, 0.0020083500000000 ] - [ -0.0006875400000000, -0.0026325400000000, -0.0048297800000000 ] - [ 0.0003957000000000, -0.0005704000000000, 0.0011226800000000 ] - [ -0.0004834600000000, -0.0003768700000000, 0.0008315200000000 ] - [ 0.0000353800000000, 0.0000612800000000, -0.0020426300000000 ] - [ 0.0000353800000000, -0.0000612800000000, -0.0020426300000000 ] - [ 0.0009602700000000, 0.0002307500000000, -0.0002954900000000 ] - [ -0.0001676200000000, -0.0001639100000000, 0.0009094400000000 ] - [ 0.0000487300000000, 0.0000000000000000, 0.0011336400000000 ] - [ -0.0006685800000000, 0.0011580200000000, 0.0028427900000000 ] - [ 0.0033434100000000, -0.0057909600000000, 0.0004793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040710500000000 ] - [ -0.0019142600000000, -0.0033156000000000, -0.0005020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109633800000000 ] - [ 0.0002362600000000, 0.0004092100000000, 0.0030919100000000 ] - [ -0.0004725200000000, 0.0000000000000000, 0.0030919100000000 ] - [ 0.0038285300000000, 0.0000000000000000, -0.0005020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025353300000000 ] - [ 0.0002362600000000, -0.0004092100000000, 0.0030919100000000 ] - [ 0.0013371600000000, 0.0000000000000000, 0.0028427900000000 ] - [ -0.0006685800000000, -0.0011580200000000, 0.0028427900000000 ] - [ -0.0019142600000000, 0.0033156000000000, -0.0005020600000000 ] - [ -0.0066868200000000, 0.0000000000000000, 0.0004793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.7079568300000000 ] - [ 0.0033434100000000, 0.0057909600000000, 0.0004793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000808800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000808800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044727700000000 ] - [ 0.0441553300000000, -0.0764792700000000, 0.1184060200000000 ] - [ -0.0022572100000000, 0.0036120100000000, 0.0007563800000000 ] - [ -0.0005882200000000, 0.0000000000000000, -0.0007969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011132600000000 ] - [ 0.0002400500000000, 0.0004927900000000, -0.0011058000000000 ] - [ 0.0008076200000000, 0.0013988400000000, -0.0004068800000000 ] - [ -0.0016152400000000, 0.0000000000000000, -0.0004068800000000 ] - [ -0.0017472100000000, -0.0001075500000000, -0.0004869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3430343000000000 ] - [ -0.0000128100000000, 0.0000000000000000, -0.0019739800000000 ] - [ -0.0008147800000000, -0.0000296500000000, -0.0007172700000000 ] - [ 0.0001766400000000, 0.0000000000000000, -0.0013093900000000 ] - [ -0.0005562900000000, -0.0001279100000000, 0.0011937300000000 ] - [ 0.0002400500000000, -0.0004927900000000, -0.0011058000000000 ] - [ 0.0005066700000000, 0.0008775800000000, -0.0015309200000000 ] - [ -0.0005468000000000, -0.0000385000000000, -0.0011058000000000 ] - [ 0.0003889200000000, 0.0004178100000000, 0.0011937300000000 ] - [ -0.0883106600000000, 0.0000000000000000, 0.1184060200000000 ] - [ 0.0004682100000000, 0.0005924300000000, -0.0013483100000000 ] - [ 0.0003817100000000, 0.0007204400000000, -0.0007172700000000 ] - [ 0.0008617600000000, -0.0014926100000000, -0.0031121500000000 ] - [ 0.0009925300000000, 0.0017191200000000, 0.0009970400000000 ] - [ 0.0007804600000000, -0.0015669000000000, -0.0004869600000000 ] - [ 0.0000064000000000, -0.0000110900000000, -0.0019739800000000 ] - [ -0.0015083200000000, 0.0026124900000000, 0.0014031800000000 ] - [ 0.0005066700000000, -0.0008775800000000, -0.0015309200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017421400000000 ] - [ 0.0004330700000000, 0.0006907900000000, -0.0007172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031109500000000 ] - [ 0.0030166400000000, 0.0000000000000000, 0.0014031800000000 ] - [ 0.0441553300000000, 0.0764792700000000, 0.1184060200000000 ] - [ -0.0003138200000000, 0.0000000000000000, -0.0012047800000000 ] - [ 0.0003067400000000, -0.0004542900000000, -0.0011058000000000 ] - [ -0.0007471600000000, 0.0001092600000000, -0.0013483100000000 ] - [ 0.0002789500000000, 0.0007016900000000, -0.0013483100000000 ] - [ 0.0009667500000000, -0.0014593500000000, -0.0004869600000000 ] - [ 0.0002941100000000, 0.0005094100000000, -0.0007969500000000 ] - [ 0.0012455200000000, 0.0000000000000000, -0.0003239400000000 ] - [ 0.0008076200000000, -0.0013988400000000, -0.0004068800000000 ] - [ -0.0001655100000000, -0.0003129400000000, -0.0008268500000000 ] - [ -0.0005468000000000, 0.0000385000000000, -0.0011058000000000 ] - [ 0.0002941100000000, -0.0005094100000000, -0.0007969500000000 ] - [ -0.0019994800000000, -0.0037608000000000, 0.0007563800000000 ] - [ 0.0002789500000000, -0.0007016900000000, -0.0013483100000000 ] - [ -0.0017472100000000, 0.0001075500000000, -0.0004869600000000 ] - [ -0.0019994800000000, 0.0037608000000000, 0.0007563800000000 ] - [ -0.0000883200000000, 0.0001529700000000, -0.0013093900000000 ] - [ 0.0009925300000000, -0.0017191200000000, 0.0009970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011132600000000 ] - [ -0.0019850600000000, 0.0000000000000000, 0.0009970400000000 ] - [ -0.0001655100000000, 0.0003129400000000, -0.0008268500000000 ] - [ 0.0009667500000000, 0.0014593500000000, -0.0004869600000000 ] - [ 0.0001569100000000, -0.0002717800000000, -0.0012047800000000 ] - [ 0.0003537700000000, 0.0000131300000000, -0.0008268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017421400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034645400000000 ] - [ -0.0000883200000000, -0.0001529700000000, -0.0013093900000000 ] - [ -0.0017235200000000, 0.0000000000000000, -0.0031121500000000 ] - [ -0.0022572100000000, -0.0036120100000000, 0.0007563800000000 ] - [ 0.0004330700000000, -0.0006907900000000, -0.0007172700000000 ] - [ 0.0008617600000000, 0.0014926100000000, -0.0031121500000000 ] - [ 0.0001569100000000, 0.0002717800000000, -0.0012047800000000 ] - [ -0.0006227600000000, -0.0010786500000000, -0.0003239400000000 ] - [ -0.0010133400000000, 0.0000000000000000, -0.0015309200000000 ] - [ -0.0015083200000000, -0.0026124900000000, 0.0014031800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031109500000000 ] - [ 0.0003889200000000, -0.0004178100000000, 0.0011937300000000 ] - [ 0.0001673700000000, 0.0005457200000000, 0.0011937300000000 ] - [ 0.0004682100000000, -0.0005924300000000, -0.0013483100000000 ] - [ 0.0003067400000000, 0.0004542900000000, -0.0011058000000000 ] - [ -0.0005562900000000, 0.0001279100000000, 0.0011937300000000 ] - [ 0.0007804600000000, 0.0015669000000000, -0.0004869600000000 ] - [ 0.0001673700000000, -0.0005457200000000, 0.0011937300000000 ] - [ -0.0001882600000000, -0.0002998000000000, -0.0008268500000000 ] - [ 0.0003817100000000, -0.0007204400000000, -0.0007172700000000 ] - [ -0.0001882600000000, 0.0002998000000000, -0.0008268500000000 ] - [ 0.0000064000000000, 0.0000110900000000, -0.0019739800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087156400000000 ] - [ -0.0007471600000000, -0.0001092600000000, -0.0013483100000000 ] - [ 0.0042566900000000, -0.0001488000000000, 0.0007563800000000 ] - [ 0.0003537700000000, -0.0000131300000000, -0.0008268500000000 ] - [ -0.0008147800000000, 0.0000296500000000, -0.0007172700000000 ] - [ -0.0006227600000000, 0.0010786500000000, -0.0003239400000000 ] - [ 0.0042566900000000, 0.0001488000000000, 0.0007563800000000 ] - [ -0.0010978200000000, 0.0019014800000000, 0.0003310400000000 ] - [ -0.0001814500000000, -0.0003142800000000, -0.0008874200000000 ] - [ 0.0001552100000000, -0.0002688300000000, -0.0009706500000000 ] - [ -0.0002002100000000, 0.0000000000000000, -0.0009029800000000 ] - [ 0.0000620300000000, -0.0001074300000000, 0.0043829100000000 ] - [ 0.0001552100000000, 0.0002688300000000, -0.0009706500000000 ] - [ -0.0001240500000000, 0.0000000000000000, 0.0043829100000000 ] - [ 0.0001001100000000, 0.0001733900000000, -0.0009029800000000 ] - [ -0.0010978200000000, -0.0019014800000000, 0.0003310400000000 ] - [ -0.0003656800000000, -0.0006333700000000, -0.0012918400000000 ] - [ 0.0021956400000000, 0.0000000000000000, 0.0003310400000000 ] - [ 0.0000620300000000, 0.0001074300000000, 0.0043829100000000 ] - [ 0.0007313600000000, 0.0000000000000000, -0.0012918400000000 ] - [ 0.0001001100000000, -0.0001733900000000, -0.0009029800000000 ] - [ -0.0003656800000000, 0.0006333700000000, -0.0012918400000000 ] - [ 0.0003629000000000, 0.0000000000000000, -0.0008874200000000 ] - [ -0.0003104200000000, 0.0000000000000000, -0.0009706500000000 ] - [ -0.0001814500000000, 0.0003142800000000, -0.0008874200000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001353400000000, -0.0001835200000000, -0.0004024000000000 ] - [ 0.0065258400000000, -0.0113030900000000, -0.0046112700000000 ] - [ -0.0008439900000000, 0.0014618400000000, -0.0017292200000000 ] - [ -0.0005647000000000, -0.0003313100000000, 0.0014312200000000 ] - [ -0.0000874800000000, 0.0001515100000000, -0.0017391000000000 ] - [ 0.0004650900000000, -0.0004463200000000, -0.0011316900000000 ] - [ 0.0001539800000000, 0.0006259500000000, -0.0011316900000000 ] - [ -0.0000874800000000, -0.0001515100000000, -0.0017391000000000 ] - [ -0.0001106900000000, 0.0001917100000000, -0.0010108500000000 ] - [ -0.0006190700000000, -0.0001796200000000, -0.0011316900000000 ] - [ -0.0005647000000000, 0.0003313100000000, 0.0014312200000000 ] - [ -0.0000701900000000, -0.0002021600000000, -0.0011607700000000 ] - [ 0.0004883400000000, 0.0002901100000000, -0.0003021900000000 ] - [ -0.0001632500000000, -0.0000605100000000, -0.0009218500000000 ] - [ 0.0002101700000000, -0.0000402900000000, -0.0011607700000000 ] - [ 0.0065258400000000, 0.0113030900000000, -0.0046112700000000 ] - [ -0.0130516800000000, 0.0000000000000000, -0.0046112700000000 ] - [ 0.0005692700000000, -0.0003233900000000, 0.0014312200000000 ] - [ -0.0026535100000000, -0.0004322400000000, 0.0049265800000000 ] - [ 0.0004883400000000, -0.0002901100000000, -0.0003021900000000 ] - [ 0.0001539800000000, -0.0006259500000000, -0.0011316900000000 ] - [ 0.0009524200000000, -0.0025141300000000, 0.0049265800000000 ] - [ 0.0001353400000000, 0.0001835200000000, -0.0004024000000000 ] - [ 0.0016879900000000, 0.0000000000000000, -0.0017292200000000 ] - [ 0.0003514400000000, 0.0000000000000000, 0.0026286000000000 ] - [ 0.0000070800000000, 0.0005679700000000, -0.0003021900000000 ] - [ -0.0030136500000000, 0.0052197900000000, -0.0054616500000000 ] - [ 0.0000292200000000, -0.0001716300000000, -0.0009218500000000 ] - [ -0.0002266000000000, 0.0000254400000000, -0.0004024000000000 ] - [ -0.0001632500000000, 0.0000605100000000, -0.0009218500000000 ] - [ 0.0003742900000000, 0.0000000000000000, -0.0008878000000000 ] - [ 0.0001749500000000, 0.0000000000000000, -0.0017391000000000 ] - [ 0.0001340300000000, -0.0001111300000000, -0.0009218500000000 ] - [ 0.0001340300000000, 0.0001111300000000, -0.0009218500000000 ] - [ 0.0002101700000000, 0.0000402900000000, -0.0011607700000000 ] - [ -0.0000045700000000, -0.0006547000000000, 0.0014312200000000 ] - [ -0.0001871500000000, 0.0003241500000000, -0.0008878000000000 ] - [ -0.0000701900000000, 0.0002021600000000, -0.0011607700000000 ] - [ -0.0001871500000000, -0.0003241500000000, -0.0008878000000000 ] - [ -0.0001106900000000, -0.0001917100000000, -0.0010108500000000 ] - [ -0.0004954100000000, 0.0002778600000000, -0.0003021900000000 ] - [ 0.0005692700000000, 0.0003233900000000, 0.0014312200000000 ] - [ -0.0030136500000000, -0.0052197900000000, -0.0054616500000000 ] - [ 0.0004650900000000, 0.0004463200000000, -0.0011316900000000 ] - [ -0.0026535100000000, 0.0004322400000000, 0.0049265800000000 ] - [ -0.0002266000000000, -0.0000254400000000, -0.0004024000000000 ] - [ 0.0000070800000000, -0.0005679700000000, -0.0003021900000000 ] - [ 0.0017010900000000, -0.0020818900000000, 0.0049265800000000 ] - [ 0.0017010900000000, 0.0020818900000000, 0.0049265800000000 ] - [ 0.0060272900000000, 0.0000000000000000, -0.0054616500000000 ] - [ 0.0000292200000000, 0.0001716300000000, -0.0009218500000000 ] - [ 0.0000912700000000, -0.0002089700000000, -0.0004024000000000 ] - [ -0.0000045700000000, 0.0006547000000000, 0.0014312200000000 ] - [ -0.0001399800000000, 0.0001618700000000, -0.0011607700000000 ] - [ -0.0008439900000000, -0.0014618400000000, -0.0017292200000000 ] - [ 0.0009524300000000, 0.0025141300000000, 0.0049265800000000 ] - [ -0.0006190700000000, 0.0001796200000000, -0.0011316900000000 ] - [ 0.0000912700000000, 0.0002089700000000, -0.0004024000000000 ] - [ -0.0001757200000000, -0.0003043600000000, 0.0026286000000000 ] - [ -0.0001757200000000, 0.0003043600000000, 0.0026286000000000 ] - [ -0.0004954100000000, -0.0002778600000000, -0.0003021900000000 ] - [ -0.0001399800000000, -0.0001618700000000, -0.0011607700000000 ] - [ 0.0002213700000000, 0.0000000000000000, -0.0010108500000000 ] - [ 0.0007217200000000, -0.0012500600000000, -0.0022418100000000 ] - [ -0.0034068000000000, 0.0059007500000000, -0.0002365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023698100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030650500000000 ] - [ 0.0021845800000000, 0.0037838000000000, 0.0003533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030650500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0115245000000000 ] - [ -0.0000005800000000, -0.0000010000000000, -0.0035523100000000 ] - [ 0.0000011600000000, 0.0000000000000000, -0.0035523100000000 ] - [ -0.0043691600000000, 0.0000000000000000, 0.0003533300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023698100000000 ] - [ -0.0000005800000000, 0.0000010000000000, -0.0035523100000000 ] - [ -0.0014434500000000, 0.0000000000000000, -0.0022418100000000 ] - [ 0.0007217200000000, 0.0012500600000000, -0.0022418100000000 ] - [ 0.0021845800000000, -0.0037838000000000, 0.0003533300000000 ] - [ 0.0068136000000000, 0.0000000000000000, -0.0002365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.7374044000000000 ] - [ -0.0034068000000000, -0.0059007500000000, -0.0002365900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048071600000000 ] - [ -0.0431618500000000, 0.0747585200000000, -0.1186813600000000 ] - [ 0.0026749800000000, -0.0034345400000000, -0.0002170200000000 ] - [ 0.0012137400000000, 0.0000000000000000, 0.0012196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021751400000000 ] - [ -0.0000409500000000, -0.0002169300000000, 0.0004564300000000 ] - [ -0.0006516400000000, -0.0011286700000000, 0.0003239500000000 ] - [ 0.0013032700000000, 0.0000000000000000, 0.0003239500000000 ] - [ 0.0019986900000000, 0.0002488800000000, -0.0000005900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3708908400000000 ] - [ 0.0000980300000000, 0.0000000000000000, 0.0024164800000000 ] - [ 0.0003181300000000, 0.0004055200000000, 0.0010899800000000 ] - [ 0.0009276600000000, 0.0000000000000000, 0.0021090400000000 ] - [ -0.0011013100000000, 0.0000818800000000, -0.0021601800000000 ] - [ -0.0000409500000000, 0.0002169300000000, 0.0004564300000000 ] - [ -0.0005960600000000, -0.0010324100000000, 0.0013266200000000 ] - [ 0.0002083400000000, 0.0000730000000000, 0.0004564300000000 ] - [ 0.0004797500000000, 0.0009947100000000, -0.0021601800000000 ] - [ 0.0863237000000000, 0.0000000000000000, -0.1186813600000000 ] - [ -0.0001911600000000, -0.0001385500000000, 0.0010959500000000 ] - [ 0.0001921300000000, -0.0004782700000000, 0.0010899800000000 ] - [ -0.0009762000000000, 0.0016908300000000, 0.0030909700000000 ] - [ -0.0011305000000000, -0.0019580900000000, -0.0013370700000000 ] - [ -0.0007838100000000, 0.0018553600000000, -0.0000005900000000 ] - [ -0.0000490100000000, 0.0000848900000000, 0.0024164800000000 ] - [ 0.0017322700000000, -0.0030003900000000, -0.0017408100000000 ] - [ -0.0005960600000000, 0.0010324100000000, 0.0013266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017093200000000 ] - [ -0.0005102600000000, -0.0000727400000000, 0.0010899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014729800000000 ] - [ -0.0034645500000000, 0.0000000000000000, -0.0017408100000000 ] - [ -0.0431618500000000, -0.0747585200000000, -0.1186813600000000 ] - [ 0.0001036200000000, 0.0000000000000000, 0.0008660800000000 ] - [ -0.0001673900000000, 0.0001439300000000, 0.0004564300000000 ] - [ 0.0002155700000000, -0.0000962800000000, 0.0010959500000000 ] - [ -0.0000244000000000, -0.0002348300000000, 0.0010959500000000 ] - [ -0.0012148800000000, 0.0016064800000000, -0.0000005900000000 ] - [ -0.0006068700000000, -0.0010511300000000, 0.0012196600000000 ] - [ -0.0011171700000000, 0.0000000000000000, -0.0001951100000000 ] - [ -0.0006516400000000, 0.0011286700000000, 0.0003239500000000 ] - [ 0.0000842300000000, 0.0001639100000000, 0.0011392700000000 ] - [ 0.0002083400000000, -0.0000730000000000, 0.0004564300000000 ] - [ -0.0006068700000000, 0.0010511300000000, 0.0012196600000000 ] - [ 0.0016369100000000, 0.0040338700000000, -0.0002170200000000 ] - [ -0.0000244000000000, 0.0002348300000000, 0.0010959500000000 ] - [ 0.0019986900000000, -0.0002488800000000, -0.0000005900000000 ] - [ 0.0016369100000000, -0.0040338700000000, -0.0002170200000000 ] - [ -0.0004638300000000, 0.0008033700000000, 0.0021090400000000 ] - [ -0.0011305000000000, 0.0019580900000000, -0.0013370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021751400000000 ] - [ 0.0022610000000000, 0.0000000000000000, -0.0013370700000000 ] - [ 0.0000842300000000, -0.0001639100000000, 0.0011392700000000 ] - [ -0.0012148800000000, -0.0016064800000000, -0.0000005900000000 ] - [ -0.0000518100000000, 0.0000897400000000, 0.0008660800000000 ] - [ -0.0001840700000000, -0.0000090100000000, 0.0011392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025821400000000 ] - [ -0.0004638300000000, -0.0008033700000000, 0.0021090400000000 ] - [ 0.0019524000000000, 0.0000000000000000, 0.0030909700000000 ] - [ 0.0026749800000000, 0.0034345400000000, -0.0002170200000000 ] - [ -0.0005102600000000, 0.0000727400000000, 0.0010899800000000 ] - [ -0.0009762000000000, -0.0016908300000000, 0.0030909700000000 ] - [ -0.0000518100000000, -0.0000897400000000, 0.0008660800000000 ] - [ 0.0005585800000000, 0.0009674900000000, -0.0001951100000000 ] - [ 0.0011921300000000, 0.0000000000000000, 0.0013266200000000 ] - [ 0.0017322700000000, 0.0030003900000000, -0.0017408100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014729800000000 ] - [ 0.0004797500000000, -0.0009947100000000, -0.0021601800000000 ] - [ 0.0006215700000000, 0.0009128300000000, -0.0021601800000000 ] - [ -0.0001911600000000, 0.0001385500000000, 0.0010959500000000 ] - [ -0.0001673900000000, -0.0001439300000000, 0.0004564300000000 ] - [ -0.0011013100000000, -0.0000818800000000, -0.0021601800000000 ] - [ -0.0007838100000000, -0.0018553600000000, -0.0000005900000000 ] - [ 0.0006215700000000, -0.0009128300000000, -0.0021601800000000 ] - [ 0.0000998400000000, 0.0001549000000000, 0.0011392700000000 ] - [ 0.0001921300000000, 0.0004782700000000, 0.0010899800000000 ] - [ 0.0000998400000000, -0.0001549000000000, 0.0011392700000000 ] - [ -0.0000490100000000, -0.0000848900000000, 0.0024164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085300900000000 ] - [ 0.0002155700000000, 0.0000962800000000, 0.0010959500000000 ] - [ -0.0043118800000000, 0.0005993300000000, -0.0002170200000000 ] - [ -0.0001840700000000, 0.0000090100000000, 0.0011392700000000 ] - [ 0.0003181300000000, -0.0004055200000000, 0.0010899800000000 ] - [ 0.0005585800000000, -0.0009674900000000, -0.0001951100000000 ] - [ -0.0043118800000000, -0.0005993300000000, -0.0002170200000000 ] - [ 0.0011458400000000, -0.0019846500000000, -0.0003664300000000 ] - [ 0.0000616000000000, 0.0001067000000000, 0.0010997700000000 ] - [ -0.0001506000000000, 0.0002608500000000, 0.0011245800000000 ] - [ -0.0002589200000000, 0.0000000000000000, 0.0012392800000000 ] - [ -0.0000237500000000, 0.0000411400000000, -0.0043798100000000 ] - [ -0.0001506000000000, -0.0002608500000000, 0.0011245800000000 ] - [ 0.0000475100000000, 0.0000000000000000, -0.0043798100000000 ] - [ 0.0001294600000000, 0.0002242300000000, 0.0012392800000000 ] - [ 0.0011458400000000, 0.0019846500000000, -0.0003664300000000 ] - [ 0.0003732400000000, 0.0006464800000000, 0.0005897900000000 ] - [ -0.0022916700000000, 0.0000000000000000, -0.0003664300000000 ] - [ -0.0000237500000000, -0.0000411400000000, -0.0043798100000000 ] - [ -0.0007464900000000, 0.0000000000000000, 0.0005897900000000 ] - [ 0.0001294600000000, -0.0002242300000000, 0.0012392800000000 ] - [ 0.0003732400000000, -0.0006464800000000, 0.0005897900000000 ] - [ -0.0001232000000000, 0.0000000000000000, 0.0010997700000000 ] - [ 0.0003012100000000, 0.0000000000000000, 0.0011245800000000 ] - [ 0.0000616000000000, -0.0001067000000000, 0.0010997700000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007777700000000, 0.0003798100000000, 0.0005161900000000 ] - [ -0.0010197700000000, 0.0002343800000000, 0.0003905800000000 ] - [ 0.0000746000000000, -0.0001889800000000, -0.0000114300000000 ] - [ 0.0037831900000000, 0.0033731200000000, 0.0027034400000000 ] - [ -0.0001197000000000, 0.0002122900000000, -0.0002202300000000 ] - [ -0.0001158100000000, -0.0002102000000000, 0.0000108600000000 ] - [ 0.0001911900000000, 0.0000016900000000, -0.0000342700000000 ] - [ -0.0001724600000000, -0.0002249100000000, -0.0002026900000000 ] - [ -0.0000251600000000, -0.0000323000000000, -0.0003193900000000 ] - [ -0.0001229300000000, 0.0002114600000000, 0.0000089700000000 ] - [ 0.0001052100000000, -0.0001185100000000, 0.0000003100000000 ] - [ -0.0000644200000000, -0.0002064100000000, -0.0001243100000000 ] - [ -0.0000476300000000, -0.0002159300000000, -0.0003371700000000 ] - [ -0.0000370200000000, -0.0002410300000000, 0.0003015900000000 ] - [ 0.0002377600000000, -0.0000534100000000, -0.0001002300000000 ] - [ 0.0000332300000000, 0.0001371900000000, 0.0000546300000000 ] - [ -0.0002056600000000, -0.0007262100000000, 0.0000606300000000 ] - [ 0.0095489500000000, 0.0000099200000000, -0.0047356400000000 ] - [ -0.0000822700000000, 0.0003539000000000, 0.0001308700000000 ] - [ -0.0000902600000000, 0.0001971700000000, -0.0002979500000000 ] - [ 0.0002446100000000, -0.0000047200000000, 0.0000085000000000 ] - [ 0.0003807900000000, 0.0001092300000000, 0.0001132200000000 ] - [ 0.0022091800000000, 0.0001457000000000, 0.0005467700000000 ] - [ -0.0002201000000000, 0.0005853900000000, -0.0000429500000000 ] - [ 0.0003966800000000, -0.0000545500000000, 0.0003416100000000 ] - [ -0.0001900200000000, -0.0001925400000000, -0.0002670100000000 ] - [ -0.0001204500000000, 0.0001095300000000, -0.0001390300000000 ] - [ -0.0000366800000000, 0.0001419500000000, -0.0001209600000000 ] - [ 0.0030542200000000, 0.0001211800000000, -0.0005379300000000 ] - [ -0.0000500900000000, 0.0000300600000000, 0.0005887500000000 ] - [ 0.0003916800000000, -0.0000074500000000, 0.0000345800000000 ] - [ 0.0002431700000000, 0.0000393200000000, -0.0002355500000000 ] - [ -0.0002649400000000, 0.0000450400000000, 0.0001424100000000 ] - [ 0.0002442100000000, -0.0000799300000000, 0.0002799800000000 ] - [ 0.0002075800000000, 0.0000161100000000, -0.0001432400000000 ] - [ -0.0010952200000000, -0.0001741100000000, 0.0003774100000000 ] - [ -0.0001925400000000, 0.0003155300000000, 0.0000196200000000 ] - [ -0.0000235600000000, 0.0002258400000000, -0.0001417100000000 ] - [ -0.0001836200000000, -0.0003153300000000, 0.0000068700000000 ] - [ -0.0001122300000000, -0.0000704600000000, 0.0003964300000000 ] - [ 0.0002623400000000, 0.0000229800000000, -0.0002093300000000 ] - [ -0.0001874400000000, 0.0006480000000000, -0.0000103800000000 ] - [ -0.0000487600000000, -0.0000775700000000, -0.0001761800000000 ] - [ -0.0001079700000000, 0.0001875300000000, -0.0000201600000000 ] - [ -0.0001500100000000, -0.0000426100000000, 0.0005118800000000 ] - [ -0.0001346600000000, -0.0007058300000000, 0.0000530100000000 ] - [ -0.0000912300000000, 0.0001951200000000, -0.0003347400000000 ] - [ -0.0001911900000000, -0.0003018100000000, 0.0001200600000000 ] - [ -0.0001133700000000, -0.0001595400000000, -0.0004629300000000 ] - [ 0.0000996700000000, -0.0000459500000000, -0.0001915300000000 ] - [ -0.0001309500000000, 0.0001881300000000, 0.0003035800000000 ] - [ 0.0019747600000000, -0.0002627500000000, 0.0005326900000000 ] - [ 0.0035028900000000, -0.0033641500000000, 0.0026097000000000 ] - [ -0.0001983400000000, 0.0001610200000000, -0.0001107800000000 ] - [ -0.0008328000000000, -0.0002112400000000, 0.0004661400000000 ] - [ -0.0002934200000000, -0.0000610600000000, -0.0000892900000000 ] - [ -0.0001095600000000, -0.0001847600000000, -0.0000028100000000 ] - [ -0.0001046000000000, 0.0001414400000000, 0.0000721100000000 ] - [ -0.0000656500000000, 0.0001453000000000, -0.0002251100000000 ] - [ -0.0002203100000000, 0.0000074800000000, 0.0007577800000000 ] - [ 0.0002117300000000, 0.0000172900000000, -0.0003177200000000 ] - [ -0.0001141900000000, -0.0001802700000000, -0.0001376400000000 ] - [ 0.0003088800000000, 0.0000253800000000, 0.0000932800000000 ] - [ -0.0030128800000000, -0.0000514600000000, -0.0022410700000000 ] - [ 0.0011583400000000, -0.0031067700000000, 0.0009533800000000 ] - [ -0.0000335300000000, -0.0000121100000000, 0.0000820100000000 ] - [ 0.0028756100000000, 0.0000006800000000, -0.0004889500000000 ] - [ 0.0000539500000000, 0.0002318800000000, -0.0005578500000000 ] - [ -0.0004389900000000, 0.0000007000000000, -0.0004961500000000 ] - [ -0.0003379600000000, 0.0000039300000000, 0.0004513900000000 ] - [ -0.0000379400000000, -0.0000162100000000, -0.0003376700000000 ] - [ 0.0001389800000000, 0.0002431800000000, -0.0000573600000000 ] - [ -0.0002027700000000, -0.0000426900000000, -0.0000568000000000 ] - [ -0.0002414900000000, 0.0000761500000000, 0.0002007100000000 ] - [ 0.0000729700000000, 0.0000012800000000, 0.0000819000000000 ] - [ 0.0000702100000000, -0.0002112100000000, -0.0005932900000000 ] - [ 0.0008880800000000, -0.0023096200000000, 0.0015718200000000 ] - [ 0.0009718100000000, 0.0023376500000000, 0.0015641900000000 ] - [ 0.0001944000000000, -0.0003251000000000, 0.0002085000000000 ] - [ 0.0012721100000000, 0.0031348400000000, 0.0009514700000000 ] - [ 0.0001916000000000, -0.0000021100000000, -0.0002997500000000 ] - [ -0.0002766500000000, 0.0000028700000000, -0.0002955200000000 ] - [ -0.0003576800000000, 0.0000127900000000, 0.0003498600000000 ] - [ -0.0042893600000000, -0.0000610800000000, -0.0015626700000000 ] - [ -0.0272801300000000, -0.0000057700000000, -0.0002505600000000 ] - [ 0.0003250900000000, -0.0000619300000000, -0.0001192000000000 ] - [ 0.0003152200000000, 0.0000035000000000, 0.0001639300000000 ] - [ 0.0002514700000000, -0.0001696800000000, 0.0001047800000000 ] - [ 0.0003440000000000, 0.0012822800000000, -0.0000659800000000 ] - [ -0.0005226400000000, 0.0002947300000000, -0.0001007700000000 ] - [ -0.0015475700000000, -0.0000005600000000, 0.0005494700000000 ] - [ 0.0001207000000000, 0.0001465700000000, -0.0003230500000000 ] - [ 0.0000566700000000, 0.0000784500000000, 0.0000813400000000 ] - [ -0.0002298100000000, -0.0000018700000000, -0.0001085500000000 ] - [ 0.0001290900000000, 0.0000539500000000, -0.0003131700000000 ] - [ 0.0002041700000000, 0.0000831200000000, -0.0004081800000000 ] - [ 0.0000236700000000, 0.0000307300000000, 0.0000779200000000 ] - [ -0.0002768100000000, 0.0016051600000000, -0.0003135600000000 ] - [ 0.0007536100000000, -0.0001030000000000, 0.0004915300000000 ] - [ -0.0005705400000000, -0.0001606300000000, -0.0003711400000000 ] - [ 0.0000719100000000, -0.0001283600000000, -0.0003194500000000 ] - [ -0.0000405800000000, -0.0012533200000000, -0.0006843900000000 ] - [ -0.0001476100000000, 0.0000098400000000, -0.0003192200000000 ] - [ -0.0004442600000000, 0.0004694200000000, 0.0000891700000000 ] - [ 0.0000881800000000, 0.0000835200000000, 0.0001330100000000 ] - [ 0.0001523300000000, 0.0002717000000000, -0.0001700900000000 ] - [ -0.0005763800000000, -0.0001646200000000, -0.0001277800000000 ] - [ -0.0000566900000000, 0.0001099600000000, -0.0000034700000000 ] - [ 0.0000000700000000, -0.0001149900000000, 0.0002200300000000 ] - [ 0.0000221400000000, 0.0002267600000000, -0.0003116200000000 ] - [ 0.0000162900000000, 0.0000352900000000, 0.0005147000000000 ] - [ 0.0002671400000000, 0.0019198500000000, -0.0006265700000000 ] - [ 0.0019935500000000, 0.0000661300000000, 0.0010868000000000 ] - [ -0.0000244300000000, 0.0000014500000000, -0.0000157100000000 ] - [ 0.0001286200000000, -0.0006347300000000, -0.0001838700000000 ] - [ 0.0000781900000000, 0.0000084700000000, 0.0008147400000000 ] - [ -0.0012403800000000, -0.0004820200000000, -0.0004939000000000 ] - [ 0.0001235300000000, 0.0001157600000000, 0.0001414400000000 ] - [ -0.0001566200000000, 0.0000004100000000, -0.0002109700000000 ] - [ 0.0000742800000000, -0.0001513900000000, -0.0003300900000000 ] - [ -0.0001591900000000, 0.0000065200000000, -0.0000324400000000 ] - [ 0.0001057400000000, 0.0001871500000000, -0.0000361600000000 ] - [ -0.0002092200000000, 0.0000899600000000, -0.0003097700000000 ] - [ -0.0001800500000000, -0.0016637700000000, -0.0002968000000000 ] - [ 0.0000451400000000, -0.0012119400000000, -0.0005427700000000 ] - [ 0.0000754900000000, -0.0001136200000000, -0.0001115400000000 ] - [ 0.0000104900000000, -0.0000561700000000, 0.0001704300000000 ] - [ -0.0002114300000000, -0.0000164600000000, -0.0003346700000000 ] - [ 0.0008723900000000, 0.0004283100000000, 0.0010370200000000 ] - [ 0.0020080800000000, 0.0001517700000000, 0.0009497800000000 ] - [ 0.0001483000000000, -0.0002854400000000, -0.0001693500000000 ] - [ 0.0001631200000000, -0.0001411100000000, -0.0003100000000000 ] - [ -0.0011634600000000, 0.0003636300000000, -0.0000485900000000 ] - [ -0.0001935500000000, 0.0004475900000000, 0.0003526200000000 ] - [ -0.0000963300000000, 0.0001788100000000, -0.0003915500000000 ] - [ 0.0001577400000000, 0.0000601800000000, 0.0005329000000000 ] - [ 0.0001048500000000, -0.0000525700000000, -0.0003844600000000 ] - [ -0.0002277100000000, 0.0002505500000000, 0.0000666100000000 ] - [ 0.0000177000000000, -0.0000744700000000, -0.0001252700000000 ] - [ 0.0000329900000000, -0.0000530400000000, -0.0000834000000000 ] - [ 0.0002414500000000, 0.0000669300000000, 0.0001634600000000 ] - [ 0.0000134200000000, 0.0000080400000000, -0.0000160500000000 ] - [ 0.0000618900000000, 0.0000095400000000, -0.0004375400000000 ] - [ -0.0000721400000000, -0.0004433200000000, 0.0003623000000000 ] - [ 0.0001465800000000, -0.0000065500000000, 0.0000061400000000 ] - [ 0.0020313700000000, 0.0001036200000000, 0.0010718900000000 ] - [ 0.0009875100000000, -0.0004692900000000, 0.0010055300000000 ] - [ -0.0000387400000000, -0.0000919600000000, 0.0000051100000000 ] - [ 0.0000491500000000, 0.0000827200000000, -0.0002092900000000 ] - [ 0.0020747100000000, -0.0000636500000000, 0.0003393000000000 ] - [ 0.0001041700000000, 0.0011732900000000, -0.0006999500000000 ] - [ 0.0019338400000000, -0.0000016100000000, 0.0006179100000000 ] - [ -0.0005092700000000, -0.0000025600000000, 0.0008118100000000 ] - [ 0.0005389900000000, -0.0007471000000000, -0.0005525800000000 ] - [ 0.0006591400000000, 0.0007759900000000, -0.0005304400000000 ] - [ 0.0001319400000000, -0.0002215400000000, -0.0001663600000000 ] - [ 0.0000393400000000, 0.0001439300000000, -0.0003183900000000 ] - [ -0.0020967900000000, 0.0000272400000000, -0.0016172600000000 ] - [ -0.0000202800000000, -0.0000951200000000, -0.0001242200000000 ] - [ -0.0004721300000000, -0.0005089600000000, 0.0000644600000000 ] - [ -0.0002383100000000, -0.0002505400000000, 0.0000648000000000 ] - [ 0.0020885700000000, -0.0001038300000000, 0.0009392600000000 ] - [ 0.0001014800000000, 0.0000200600000000, 0.0001415300000000 ] - [ -0.0000399900000000, -0.0000702900000000, 0.0000826300000000 ] - [ 0.0000144000000000, 0.0000054900000000, -0.0000395400000000 ] - [ -0.0003200100000000, -0.0000109300000000, -0.0001694200000000 ] - [ 0.0001223900000000, -0.0018518000000000, -0.0001981300000000 ] - [ -0.0004219100000000, 0.0000031500000000, 0.0003511000000000 ] - [ -0.0000971800000000, 0.0007622700000000, -0.0001899900000000 ] - [ -0.0000334700000000, 0.0012789000000000, -0.0005560800000000 ] - [ 0.0001123400000000, -0.0014040600000000, -0.0000623900000000 ] - [ 0.0001242800000000, -0.0000384700000000, -0.0001807800000000 ] - [ 0.0005721400000000, -0.0001174300000000, -0.0004267000000000 ] - [ -0.0000109100000000, 0.0000068100000000, 0.0000782700000000 ] - [ -0.0002525400000000, -0.0000419300000000, 0.0002228000000000 ] - [ 0.0009483200000000, -0.0000497800000000, -0.0005622400000000 ] - [ 0.0000139000000000, -0.0000028300000000, 0.0000797800000000 ] - [ -0.0000831000000000, 0.0005898300000000, 0.0003181100000000 ] - [ 0.0001670900000000, 0.0002047400000000, 0.0000603900000000 ] - [ -0.0000053400000000, -0.0000376200000000, 0.0000505900000000 ] - [ -0.0000019500000000, -0.0000041200000000, -0.0003453500000000 ] - [ -0.0000799300000000, 0.0000730000000000, 0.0000538700000000 ] - [ -0.0000815400000000, -0.0005518200000000, 0.0002922800000000 ] - [ -0.0000164300000000, 0.0000252500000000, -0.0003452100000000 ] - [ 0.0000893200000000, -0.0001524200000000, 0.0002222700000000 ] - [ 0.0000328700000000, -0.0000054700000000, -0.0003678900000000 ] - [ 0.0000166600000000, -0.0004095600000000, 0.0003511900000000 ] - [ -0.0000168200000000, -0.0000196500000000, 0.0000766400000000 ] - [ -0.0001355300000000, 0.0005247900000000, 0.0003699500000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008296000000000, 0.0000417400000000, -0.0000860900000000 ] - [ 0.0009059100000000, -0.0000095200000000, -0.0000552900000000 ] - [ -0.0001253100000000, 0.0002906300000000, 0.0002868000000000 ] - [ -0.0037561500000000, -0.0035620600000000, -0.0023920600000000 ] - [ -0.0001287100000000, 0.0002322500000000, -0.0002201000000000 ] - [ -0.0001052700000000, -0.0001745100000000, -0.0000179100000000 ] - [ 0.0002618100000000, 0.0000034000000000, 0.0000233000000000 ] - [ -0.0000857900000000, -0.0002228300000000, -0.0002330200000000 ] - [ -0.0001053000000000, 0.0002796800000000, 0.0004316100000000 ] - [ -0.0001118500000000, 0.0001782200000000, -0.0000202400000000 ] - [ -0.0000916100000000, 0.0004112500000000, 0.0002447300000000 ] - [ -0.0000743900000000, -0.0002304000000000, -0.0001226500000000 ] - [ -0.0001504800000000, -0.0001889800000000, -0.0002507400000000 ] - [ 0.0000669900000000, 0.0000845000000000, 0.0001997700000000 ] - [ 0.0001936200000000, -0.0000539000000000, -0.0001548500000000 ] - [ -0.0001519400000000, -0.0003451600000000, 0.0002870800000000 ] - [ 0.0004599500000000, 0.0007386800000000, 0.0002764400000000 ] - [ -0.0097220500000000, 0.0001514800000000, 0.0052850200000000 ] - [ 0.0000523200000000, -0.0000574700000000, -0.0000180400000000 ] - [ -0.0001044100000000, 0.0002317500000000, -0.0002914100000000 ] - [ 0.0002101900000000, -0.0000038900000000, -0.0000198300000000 ] - [ -0.0001088100000000, 0.0000109700000000, 0.0000008600000000 ] - [ -0.0021619600000000, -0.0006043100000000, -0.0001517800000000 ] - [ 0.0003335200000000, -0.0005802200000000, 0.0003186400000000 ] - [ -0.0001163900000000, 0.0000642400000000, 0.0002448400000000 ] - [ -0.0000622800000000, -0.0001824400000000, -0.0003218100000000 ] - [ 0.0000103100000000, 0.0000977000000000, -0.0001961100000000 ] - [ -0.0001154400000000, -0.0001948500000000, 0.0006236200000000 ] - [ -0.0025771200000000, 0.0001317600000000, 0.0008272700000000 ] - [ 0.0000673800000000, 0.0001276300000000, -0.0000901900000000 ] - [ 0.0003568500000000, -0.0000042700000000, 0.0000071700000000 ] - [ 0.0002655800000000, -0.0000324700000000, -0.0002043000000000 ] - [ 0.0003940100000000, 0.0000478800000000, 0.0003569400000000 ] - [ -0.0001136200000000, -0.0000280900000000, 0.0002162600000000 ] - [ 0.0002284100000000, 0.0000878600000000, -0.0001120500000000 ] - [ 0.0008474800000000, 0.0000523900000000, -0.0001303800000000 ] - [ -0.0001921800000000, 0.0003268500000000, 0.0000222600000000 ] - [ -0.0001052000000000, 0.0002044700000000, -0.0001143600000000 ] - [ -0.0001937300000000, -0.0003385100000000, 0.0000310500000000 ] - [ -0.0000193300000000, -0.0001592400000000, -0.0002800000000000 ] - [ 0.0002053200000000, 0.0000226700000000, -0.0003789600000000 ] - [ 0.0004224400000000, -0.0008274000000000, 0.0002558700000000 ] - [ -0.0000629800000000, -0.0001159700000000, -0.0001667600000000 ] - [ -0.0001139500000000, 0.0002073600000000, 0.0000092200000000 ] - [ 0.0001158300000000, -0.0002618000000000, -0.0004098100000000 ] - [ 0.0004732600000000, 0.0004582800000000, 0.0003721000000000 ] - [ -0.0001949200000000, 0.0001691000000000, -0.0002515800000000 ] - [ -0.0000565000000000, 0.0001217400000000, -0.0000167400000000 ] - [ -0.0001198800000000, 0.0003354000000000, 0.0005724300000000 ] - [ 0.0001350600000000, 0.0000545000000000, -0.0001435300000000 ] - [ -0.0000271600000000, -0.0001283600000000, 0.0001928200000000 ] - [ -0.0023662000000000, 0.0004553900000000, -0.0001351400000000 ] - [ -0.0037719300000000, 0.0033950700000000, -0.0023085000000000 ] - [ -0.0001097200000000, 0.0001584400000000, -0.0001435000000000 ] - [ 0.0007690400000000, 0.0000985000000000, -0.0001952100000000 ] - [ 0.0005634600000000, -0.0000548000000000, 0.0001976300000000 ] - [ -0.0001133600000000, -0.0001990400000000, -0.0000041600000000 ] - [ -0.0002967500000000, -0.0003089500000000, 0.0003520400000000 ] - [ -0.0000719900000000, -0.0003875900000000, 0.0008066600000000 ] - [ 0.0000848600000000, 0.0002386600000000, -0.0001734300000000 ] - [ 0.0002477800000000, -0.0000831000000000, -0.0002698700000000 ] - [ -0.0001949500000000, -0.0001584700000000, -0.0001099200000000 ] - [ -0.0000306400000000, -0.0000126900000000, 0.0000168300000000 ] - [ 0.0030713500000000, -0.0000384600000000, 0.0028488800000000 ] - [ -0.0012441300000000, 0.0032232500000000, -0.0007207800000000 ] - [ 0.0000403000000000, 0.0000074600000000, 0.0000819900000000 ] - [ -0.0028764900000000, -0.0000012500000000, -0.0004888800000000 ] - [ 0.0002280300000000, 0.0002553500000000, 0.0004565200000000 ] - [ 0.0004374800000000, 0.0000020200000000, -0.0004961000000000 ] - [ 0.0003388100000000, -0.0000048400000000, 0.0004511200000000 ] - [ 0.0000376500000000, 0.0000159200000000, -0.0003377000000000 ] - [ 0.0000979900000000, 0.0001661600000000, -0.0004102900000000 ] - [ -0.0002623200000000, 0.0000425500000000, -0.0004173700000000 ] - [ -0.0003254500000000, -0.0000753000000000, -0.0002989800000000 ] - [ -0.0000809400000000, 0.0000025600000000, 0.0000819000000000 ] - [ 0.0001605100000000, -0.0001912300000000, 0.0001205900000000 ] - [ -0.0009807000000000, 0.0023041200000000, -0.0009839200000000 ] - [ -0.0009048300000000, -0.0022365900000000, -0.0009706200000000 ] - [ 0.0000880400000000, -0.0001657100000000, -0.0003072300000000 ] - [ -0.0011570900000000, -0.0031399200000000, -0.0007194500000000 ] - [ -0.0001755600000000, -0.0000071600000000, -0.0002995000000000 ] - [ 0.0002615500000000, 0.0000075800000000, -0.0002953200000000 ] - [ 0.0003582500000000, -0.0000133900000000, 0.0003495600000000 ] - [ 0.0042109500000000, -0.0000564500000000, 0.0017822900000000 ] - [ 0.0275470600000000, -0.0000056800000000, -0.0002555100000000 ] - [ -0.0003273800000000, 0.0000566300000000, -0.0001193000000000 ] - [ -0.0003130700000000, 0.0000024100000000, 0.0001638600000000 ] - [ -0.0001344500000000, -0.0000283400000000, 0.0001485700000000 ] - [ 0.0000849900000000, -0.0011037500000000, 0.0006130400000000 ] - [ 0.0011449400000000, -0.0003016300000000, 0.0005287600000000 ] - [ 0.0015468900000000, -0.0000004500000000, 0.0005488200000000 ] - [ 0.0000764600000000, 0.0001279900000000, -0.0003259900000000 ] - [ 0.0000997800000000, 0.0001933900000000, -0.0001743400000000 ] - [ -0.0000752700000000, 0.0000092500000000, 0.0000159300000000 ] - [ 0.0001395700000000, 0.0000969300000000, -0.0001847900000000 ] - [ -0.0002055300000000, -0.0000846600000000, -0.0004076100000000 ] - [ 0.0000588400000000, -0.0000353900000000, 0.0003720100000000 ] - [ -0.0002277400000000, -0.0012084700000000, 0.0006893900000000 ] - [ 0.0003528400000000, 0.0001086600000000, 0.0003121300000000 ] - [ -0.0010912700000000, 0.0001071700000000, -0.0005973800000000 ] - [ 0.0001298300000000, -0.0001480500000000, -0.0003304700000000 ] - [ -0.0000554700000000, 0.0010917100000000, 0.0004885400000000 ] - [ -0.0001924800000000, 0.0000267200000000, -0.0003304800000000 ] - [ 0.0013117900000000, 0.0009392700000000, -0.0010655500000000 ] - [ -0.0003190000000000, -0.0000813500000000, 0.0001201800000000 ] - [ 0.0001178100000000, 0.0001732900000000, -0.0000772100000000 ] - [ 0.0011356800000000, 0.0004078600000000, 0.0005066400000000 ] - [ -0.0000670400000000, 0.0001039000000000, 0.0000086000000000 ] - [ -0.0001340800000000, -0.0001157800000000, -0.0005911000000000 ] - [ -0.0000251600000000, 0.0000817400000000, -0.0001861300000000 ] - [ -0.0000609800000000, 0.0000342200000000, -0.0000665400000000 ] - [ -0.0000357500000000, -0.0023158400000000, 0.0002922100000000 ] - [ -0.0021003900000000, 0.0000817100000000, -0.0012906200000000 ] - [ 0.0000265200000000, 0.0000012600000000, -0.0000158900000000 ] - [ -0.0002038700000000, 0.0012429000000000, 0.0005621600000000 ] - [ -0.0000809800000000, -0.0000128900000000, 0.0008141700000000 ] - [ 0.0007982200000000, 0.0004800500000000, 0.0001560500000000 ] - [ -0.0000083800000000, 0.0000844700000000, 0.0001107900000000 ] - [ -0.0000564100000000, -0.0000092000000000, -0.0001245700000000 ] - [ 0.0000605400000000, -0.0001517300000000, -0.0003164300000000 ] - [ -0.0003626600000000, 0.0000000800000000, -0.0002147500000000 ] - [ 0.0001449400000000, 0.0002692800000000, -0.0002114800000000 ] - [ -0.0000504100000000, 0.0000753000000000, -0.0001905100000000 ] - [ -0.0001378200000000, 0.0011115300000000, 0.0007243500000000 ] - [ 0.0000892100000000, 0.0012200600000000, 0.0000343900000000 ] - [ 0.0000844400000000, -0.0001471400000000, 0.0000187600000000 ] - [ -0.0000891300000000, -0.0000912500000000, 0.0001470200000000 ] - [ -0.0001181100000000, -0.0000184600000000, -0.0003118600000000 ] - [ -0.0011923400000000, 0.0001095600000000, -0.0006157900000000 ] - [ -0.0023753400000000, 0.0001246700000000, -0.0003969300000000 ] - [ 0.0001088900000000, -0.0001918700000000, -0.0000796300000000 ] - [ 0.0001097600000000, -0.0000018400000000, -0.0001903900000000 ] - [ 0.0008178300000000, -0.0006287200000000, 0.0005934500000000 ] - [ -0.0003557600000000, 0.0005142400000000, 0.0004516200000000 ] - [ -0.0000337100000000, 0.0000621600000000, 0.0000221100000000 ] - [ -0.0001582800000000, -0.0000623300000000, 0.0005322200000000 ] - [ 0.0001691900000000, 0.0000591300000000, 0.0000144400000000 ] - [ 0.0001430000000000, -0.0000983700000000, 0.0002518600000000 ] - [ -0.0002790100000000, -0.0000824200000000, -0.0003713200000000 ] - [ 0.0000667300000000, -0.0001361200000000, -0.0002527800000000 ] - [ -0.0000632700000000, -0.0000649700000000, 0.0001500300000000 ] - [ -0.0000120700000000, -0.0000048900000000, -0.0000161900000000 ] - [ -0.0000600500000000, -0.0000059300000000, -0.0004371200000000 ] - [ -0.0004788700000000, -0.0005102000000000, 0.0004411200000000 ] - [ 0.0001004100000000, 0.0000062200000000, -0.0000009900000000 ] - [ -0.0015985800000000, -0.0002827700000000, -0.0005151500000000 ] - [ -0.0010642600000000, -0.0001487800000000, -0.0006339500000000 ] - [ -0.0000831100000000, -0.0001192000000000, -0.0000002500000000 ] - [ 0.0000525100000000, 0.0000939300000000, -0.0001259200000000 ] - [ -0.0021204000000000, -0.0000404500000000, -0.0008425200000000 ] - [ 0.0000671500000000, -0.0011789700000000, 0.0005041800000000 ] - [ -0.0017004200000000, 0.0003882100000000, -0.0009485400000000 ] - [ 0.0005079500000000, -0.0000020300000000, 0.0008112600000000 ] - [ 0.0003270700000000, -0.0006704500000000, -0.0004172500000000 ] - [ 0.0001268300000000, 0.0006800600000000, -0.0004386800000000 ] - [ 0.0001349700000000, -0.0002280900000000, -0.0000805900000000 ] - [ 0.0000997900000000, 0.0001638000000000, -0.0003307400000000 ] - [ 0.0004404400000000, 0.0000143400000000, 0.0006428400000000 ] - [ 0.0000146700000000, -0.0002094300000000, -0.0003727800000000 ] - [ 0.0012560200000000, -0.0009564200000000, -0.0010399500000000 ] - [ 0.0001530400000000, 0.0001127700000000, 0.0002576200000000 ] - [ -0.0015032900000000, -0.0001357000000000, -0.0005668100000000 ] - [ -0.0001845800000000, 0.0001141000000000, 0.0001775100000000 ] - [ -0.0000047000000000, -0.0000064900000000, 0.0003682400000000 ] - [ -0.0000173200000000, -0.0000105800000000, -0.0000395200000000 ] - [ -0.0002223700000000, -0.0000047200000000, -0.0000796300000000 ] - [ -0.0001781000000000, 0.0023171100000000, 0.0007488500000000 ] - [ 0.0005759200000000, -0.0000076200000000, -0.0000278800000000 ] - [ -0.0004049600000000, -0.0011369000000000, 0.0005679400000000 ] - [ -0.0000228400000000, -0.0011649500000000, 0.0000483300000000 ] - [ -0.0001669800000000, 0.0009624700000000, 0.0006073500000000 ] - [ -0.0000801500000000, -0.0000482400000000, 0.0001321600000000 ] - [ -0.0006879600000000, -0.0000834800000000, 0.0006224000000000 ] - [ 0.0000076600000000, -0.0000238300000000, 0.0000784400000000 ] - [ -0.0002043500000000, 0.0000474000000000, 0.0001147800000000 ] - [ -0.0009213400000000, 0.0000019700000000, 0.0005964900000000 ] - [ -0.0000171300000000, -0.0000026400000000, 0.0000757100000000 ] - [ 0.0000259400000000, -0.0005908300000000, -0.0002869600000000 ] - [ 0.0000651900000000, 0.0001988300000000, 0.0002751100000000 ] - [ 0.0000474200000000, 0.0001124600000000, -0.0001058200000000 ] - [ 0.0000192600000000, 0.0000346700000000, -0.0003571800000000 ] - [ -0.0000171000000000, -0.0000797200000000, -0.0001031700000000 ] - [ 0.0001054900000000, 0.0005974900000000, -0.0002635100000000 ] - [ 0.0000009200000000, -0.0000178700000000, -0.0003620000000000 ] - [ 0.0001447500000000, -0.0002403900000000, 0.0001153900000000 ] - [ -0.0000186200000000, -0.0000041500000000, -0.0003389800000000 ] - [ 0.0002232300000000, 0.0004123300000000, -0.0001540000000000 ] - [ 0.0000037100000000, 0.0000079900000000, 0.0000802000000000 ] - [ 0.0000198900000000, -0.0003171300000000, -0.0001722200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001742300000000, 0.0001637500000000, 0.0006040400000000 ] - [ 0.0000577500000000, 0.0000926300000000, 0.0006620900000000 ] - [ -0.0000629300000000, -0.0001194800000000, 0.0004868700000000 ] - [ 0.0027155600000000, 0.0044397200000000, 0.0051057700000000 ] - [ -0.0001161400000000, 0.0001740400000000, -0.0004704200000000 ] - [ -0.0000967400000000, -0.0001888700000000, -0.0003191800000000 ] - [ 0.0002119400000000, 0.0000106500000000, -0.0003191800000000 ] - [ -0.0000926600000000, -0.0001876000000000, -0.0004704200000000 ] - [ -0.0004568600000000, -0.0000596700000000, -0.0001466500000000 ] - [ -0.0001151900000000, 0.0001782200000000, -0.0003191800000000 ] - [ -0.0000287900000000, -0.0000010700000000, 0.0005755400000000 ] - [ -0.0000403800000000, -0.0001453500000000, -0.0003647300000000 ] - [ -0.0002171500000000, -0.0004163600000000, -0.0008318200000000 ] - [ -0.0000134300000000, -0.0001340100000000, 0.0001577800000000 ] - [ 0.0003477600000000, -0.0000531700000000, -0.0006455500000000 ] - [ -0.0001090900000000, 0.0000037000000000, 0.0006620900000000 ] - [ 0.0000513400000000, -0.0000963300000000, 0.0006620900000000 ] - [ -0.0052026900000000, 0.0001318900000000, 0.0051057700000000 ] - [ -0.0000468200000000, 0.0001946300000000, 0.0000304200000000 ] - [ -0.0000866100000000, 0.0001604300000000, -0.0005463200000000 ] - [ 0.0002116700000000, -0.0000057200000000, -0.0003470900000000 ] - [ 0.0001723400000000, 0.0005957200000000, -0.0001445900000000 ] - [ 0.0006392200000000, 0.0008300700000000, 0.0029408000000000 ] - [ -0.0000720000000000, 0.0001142400000000, 0.0004868700000000 ] - [ 0.0001686300000000, -0.0005499400000000, 0.0001066600000000 ] - [ -0.0000956300000000, -0.0001552200000000, -0.0005463200000000 ] - [ -0.0000032400000000, 0.0000411400000000, -0.0004018600000000 ] - [ -0.0004722400000000, 0.0001582300000000, 0.0000520100000000 ] - [ -0.0010384700000000, 0.0001385400000000, 0.0029408000000000 ] - [ 0.0003731600000000, 0.0003298600000000, 0.0000520100000000 ] - [ 0.0003617900000000, -0.0000045100000000, -0.0003220000000000 ] - [ 0.0002087900000000, 0.0000135600000000, -0.0004704200000000 ] - [ 0.0001227700000000, 0.0000553700000000, 0.0001577800000000 ] - [ 0.0000990900000000, -0.0004880900000000, 0.0000520100000000 ] - [ 0.0001460700000000, 0.0000377100000000, -0.0003647300000000 ] - [ 0.0000153200000000, -0.0000244000000000, 0.0005755400000000 ] - [ -0.0001769800000000, 0.0003155700000000, -0.0003220000000000 ] - [ -0.0001278300000000, 0.0003277500000000, -0.0006455500000000 ] - [ -0.0001848000000000, -0.0003110600000000, -0.0003220000000000 ] - [ 0.0002801100000000, -0.0003658200000000, -0.0001466500000000 ] - [ 0.0004691500000000, 0.0000201200000000, -0.0008318200000000 ] - [ 0.0000134700000000, 0.0000254700000000, 0.0005755400000000 ] - [ -0.0000340100000000, -0.0000233800000000, -0.0004018600000000 ] - [ -0.0001008800000000, 0.0001861700000000, -0.0003470900000000 ] - [ 0.0004297400000000, -0.0004471100000000, -0.0001445900000000 ] - [ 0.0000546900000000, -0.0002327600000000, 0.0006040400000000 ] - [ -0.0002520000000000, 0.0003962400000000, -0.0008318200000000 ] - [ -0.0001451500000000, -0.0001378600000000, 0.0000304200000000 ] - [ -0.0006020800000000, -0.0001486100000000, -0.0001445900000000 ] - [ 0.0000372500000000, -0.0000177600000000, -0.0004018600000000 ] - [ -0.0001093400000000, 0.0000786400000000, 0.0001577800000000 ] - [ 0.0003992600000000, -0.0009686200000000, 0.0029408000000000 ] - [ 0.0024871300000000, -0.0045716100000000, 0.0051057700000000 ] - [ -0.0001056900000000, 0.0001076400000000, -0.0003647300000000 ] - [ 0.0001349400000000, 0.0000052400000000, 0.0004868700000000 ] - [ 0.0001919700000000, -0.0000567700000000, 0.0000304200000000 ] - [ -0.0001107800000000, -0.0001804500000000, -0.0003470900000000 ] - [ -0.0002289200000000, 0.0000690200000000, 0.0006040400000000 ] - [ -0.0005605800000000, 0.0001289300000000, 0.0001066600000000 ] - [ 0.0003919500000000, 0.0004210100000000, 0.0001066600000000 ] - [ 0.0001822400000000, -0.0000052100000000, -0.0005463200000000 ] - [ -0.0002199300000000, -0.0002745800000000, -0.0006455500000000 ] - [ 0.0001767600000000, 0.0004254900000000, -0.0001466500000000 ] - [ -0.0018097400000000, -0.0000490300000000, 0.0023377600000000 ] - [ 0.0008706600000000, 0.0016225100000000, 0.0031553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042654000000000 ] - [ -0.0000897200000000, 0.0002523800000000, -0.0008440100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000933400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011188900000000 ] - [ 0.0002063000000000, 0.0000362400000000, -0.0010172300000000 ] - [ -0.0001345300000000, 0.0001605400000000, -0.0010172300000000 ] - [ -0.0001737100000000, -0.0002038900000000, -0.0008440100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012871600000000 ] - [ -0.0000717600000000, -0.0001967800000000, -0.0010172300000000 ] - [ 0.0008624000000000, 0.0015918000000000, 0.0023377600000000 ] - [ 0.0009473300000000, -0.0015427600000000, 0.0023377600000000 ] - [ 0.0002634300000000, -0.0000484900000000, -0.0008440100000000 ] - [ 0.0009698100000000, -0.0015652700000000, 0.0031553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005517800000000 ] - [ -0.0018404700000000, -0.0000572400000000, 0.0031553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0344505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004986000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002065800000000 ] - [ -0.0000002800000000, -0.0000465900000000, 0.0001363900000000 ] - [ -0.0000436800000000, -0.0003402500000000, -0.0002626800000000 ] - [ -0.0003774700000000, -0.0008334500000000, -0.0001909900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109178100000000 ] - [ 0.0000560200000000, 0.0000594100000000, -0.0000461300000000 ] - [ 0.0001271600000000, 0.0000490600000000, 0.0002437100000000 ] - [ -0.0001060600000000, 0.0000855900000000, 0.0002437100000000 ] - [ 0.0000396700000000, 0.0001042500000000, 0.0000300200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006089400000000 ] - [ -0.0000186100000000, -0.0001200600000000, 0.0007072200000000 ] - [ -0.0006208400000000, -0.0008542500000000, -0.0002220400000000 ] - [ 0.0006408700000000, -0.0000246700000000, 0.0004647800000000 ] - [ -0.0007564400000000, -0.0000527100000000, -0.0004316000000000 ] - [ 0.0000282600000000, -0.0000060400000000, 0.0001357600000000 ] - [ -0.0001594900000000, 0.0001272100000000, -0.0016208800000000 ] - [ -0.0000794600000000, 0.0000188100000000, -0.0000461300000000 ] - [ 0.0005475700000000, 0.0008866600000000, 0.0012047900000000 ] - [ -0.0000402100000000, 0.0000235400000000, 0.0001363900000000 ] - [ 0.0000589800000000, 0.0000747400000000, 0.0001761300000000 ] - [ -0.0004293800000000, 0.0009647900000000, -0.0002220400000000 ] - [ -0.0001049300000000, 0.0001823700000000, 0.0002848100000000 ] - [ 0.0001178800000000, -0.0001120900000000, 0.0003068900000000 ] - [ -0.0000938400000000, -0.0000178700000000, 0.0000344200000000 ] - [ 0.0001132800000000, 0.0000439200000000, 0.0007072200000000 ] - [ -0.0003617800000000, -0.0014534300000000, -0.0008523900000000 ] - [ 0.0001899100000000, 0.0000745200000000, -0.0016208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009034800000000 ] - [ -0.0002904200000000, 0.0007542400000000, -0.0002023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010481300000000 ] - [ -0.0010778200000000, 0.0010400200000000, -0.0008523900000000 ] - [ 0.0000404900000000, 0.0000230600000000, 0.0001363900000000 ] - [ -0.0000886600000000, -0.0000740200000000, 0.0001253500000000 ] - [ 0.0000234400000000, -0.0000782200000000, -0.0000461300000000 ] - [ -0.0000942200000000, 0.0000137100000000, 0.0001761300000000 ] - [ 0.0001616000000000, 0.0001692700000000, 0.0001768300000000 ] - [ -0.0001101100000000, -0.0000177700000000, 0.0000300200000000 ] - [ -0.0005330500000000, 0.0007436200000000, -0.0001909900000000 ] - [ 0.0001436700000000, -0.0001328600000000, -0.0021655800000000 ] - [ -0.0000210900000000, -0.0001346500000000, 0.0002437100000000 ] - [ -0.0000522600000000, -0.0001344400000000, 0.0001923600000000 ] - [ -0.0000193600000000, -0.0000214500000000, 0.0001357600000000 ] - [ 0.0009105200000000, 0.0000898300000000, -0.0001909900000000 ] - [ 0.0003165000000000, 0.0001323000000000, -0.0002626800000000 ] - [ 0.0000352400000000, -0.0000884500000000, 0.0001761300000000 ] - [ 0.0000314500000000, 0.0000902100000000, 0.0000344200000000 ] - [ -0.0010090700000000, -0.0011601700000000, -0.0004073000000000 ] - [ -0.0002990700000000, 0.0005673500000000, 0.0004647800000000 ] - [ -0.0001560100000000, -0.0000460400000000, 0.0003068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003918500000000 ] - [ 0.0000381300000000, 0.0001581300000000, 0.0003068900000000 ] - [ 0.0005960400000000, -0.0010609900000000, 0.0019295400000000 ] - [ 0.0000624000000000, -0.0000723400000000, 0.0000344200000000 ] - [ 0.0001084400000000, -0.0000397700000000, 0.0001253500000000 ] - [ 0.0001425600000000, 0.0000219600000000, 0.0001923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517100000000 ] - [ -0.0003418000000000, -0.0005426800000000, 0.0004647800000000 ] - [ 0.0002104000000000, -0.0000003100000000, 0.0002848100000000 ] - [ 0.0015092700000000, -0.0002937900000000, -0.0004073000000000 ] - [ 0.0010502200000000, -0.0001105400000000, -0.0002220400000000 ] - [ -0.0001054700000000, -0.0001820600000000, 0.0002848100000000 ] - [ -0.0000197700000000, 0.0001137900000000, 0.0001253500000000 ] - [ -0.0001868900000000, -0.0000579900000000, -0.0021655800000000 ] - [ -0.0000304300000000, -0.0002017300000000, -0.0016208800000000 ] - [ 0.0014396000000000, 0.0004134100000000, -0.0008523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026270300000000 ] - [ 0.0004238700000000, -0.0006287400000000, -0.0004316000000000 ] - [ 0.0003325700000000, 0.0006814500000000, -0.0004316000000000 ] - [ 0.0000657900000000, -0.0002245800000000, 0.0001768300000000 ] - [ -0.0000089000000000, 0.0000274900000000, 0.0001357600000000 ] - [ -0.0010416500000000, 0.0000308800000000, 0.0012047900000000 ] - [ 0.0000704500000000, -0.0000864700000000, 0.0000300200000000 ] - [ 0.0004940800000000, -0.0009175400000000, 0.0012047900000000 ] - [ 0.0006208300000000, 0.0010466800000000, 0.0019295400000000 ] - [ 0.0007984100000000, -0.0001256100000000, -0.0002023000000000 ] - [ -0.0000903000000000, 0.0001124800000000, 0.0001923600000000 ] - [ -0.0000946700000000, 0.0000761400000000, 0.0007072200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004599400000000 ] - [ -0.0002273900000000, 0.0000553100000000, 0.0001768300000000 ] - [ -0.0005002000000000, 0.0014539600000000, -0.0004073000000000 ] - [ -0.0012168700000000, 0.0000143100000000, 0.0019295400000000 ] - [ -0.0005079800000000, -0.0006286400000000, -0.0002023000000000 ] - [ 0.0000432300000000, 0.0001908500000000, -0.0021655800000000 ] - [ -0.0002728200000000, 0.0002079500000000, -0.0002626800000000 ] - [ -0.0002237700000000, -0.0000445100000000, 0.0002232600000000 ] - [ -0.0005377400000000, -0.0000868100000000, 0.0000668400000000 ] - [ 0.0000120200000000, 0.0000146100000000, 0.0003978700000000 ] - [ -0.0001226800000000, -0.0001792000000000, 0.0004064200000000 ] - [ -0.0005411100000000, -0.0000025400000000, -0.0000519400000000 ] - [ -0.0000186700000000, 0.0000031100000000, 0.0003978700000000 ] - [ 0.0002683600000000, 0.0004698900000000, -0.0000519400000000 ] - [ -0.0000938500000000, 0.0001958400000000, 0.0004064200000000 ] - [ 0.0001504400000000, -0.0001715400000000, 0.0002232600000000 ] - [ 0.0000144800000000, -0.0000099900000000, -0.0000482300000000 ] - [ 0.0000733400000000, 0.0002160500000000, 0.0002232600000000 ] - [ 0.0002727600000000, -0.0004673500000000, -0.0000519400000000 ] - [ 0.0000014100000000, 0.0000175400000000, -0.0000482300000000 ] - [ 0.0002165300000000, -0.0000166400000000, 0.0004064200000000 ] - [ -0.0000158900000000, -0.0000075400000000, -0.0000482300000000 ] - [ 0.0003440500000000, -0.0004222900000000, 0.0000668400000000 ] - [ 0.0000066400000000, -0.0000177200000000, 0.0003978700000000 ] - [ 0.0001936900000000, 0.0005091000000000, 0.0000668400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001212800000000, 0.0002573800000000, -0.0001843300000000 ] - [ -0.0001847300000000, 0.0001270300000000, -0.0003144800000000 ] - [ 0.0000028500000000, 0.0002234500000000, -0.0002146400000000 ] - [ -0.0026107900000000, -0.0045894100000000, -0.0048129200000000 ] - [ -0.0001366200000000, 0.0002640200000000, 0.0000336300000000 ] - [ -0.0001236800000000, -0.0002031200000000, 0.0003080200000000 ] - [ 0.0002377500000000, -0.0000055500000000, 0.0003080200000000 ] - [ -0.0001603400000000, -0.0002503200000000, 0.0000336300000000 ] - [ 0.0003237100000000, 0.0002934100000000, 0.0002684700000000 ] - [ -0.0001140700000000, 0.0002086800000000, 0.0003080200000000 ] - [ 0.0000520700000000, 0.0002887400000000, -0.0003291600000000 ] - [ -0.0000884000000000, -0.0002842800000000, 0.0001094500000000 ] - [ 0.0000260700000000, -0.0000097800000000, 0.0002386300000000 ] - [ 0.0000380600000000, -0.0000308400000000, 0.0003335100000000 ] - [ 0.0000876200000000, -0.0000501300000000, 0.0003914400000000 ] - [ -0.0000176500000000, -0.0002234900000000, -0.0003144800000000 ] - [ 0.0002023700000000, 0.0000964700000000, -0.0003144800000000 ] - [ 0.0052799400000000, 0.0000336900000000, -0.0048129200000000 ] - [ 0.0000151900000000, 0.0000980200000000, 0.0000868300000000 ] - [ -0.0001034900000000, 0.0002638000000000, -0.0000449200000000 ] - [ 0.0002380400000000, 0.0000010500000000, 0.0003359500000000 ] - [ 0.0000968900000000, -0.0004732100000000, 0.0002614400000000 ] - [ -0.0006466600000000, -0.0013534800000000, -0.0025967300000000 ] - [ 0.0001920900000000, -0.0001141900000000, -0.0002146400000000 ] - [ 0.0001044700000000, 0.0005467800000000, 0.0004977400000000 ] - [ -0.0001767100000000, -0.0002215300000000, -0.0000449200000000 ] - [ -0.0001112400000000, 0.0001570400000000, 0.0000628100000000 ] - [ 0.0003185300000000, -0.0002201000000000, 0.0004389400000000 ] - [ 0.0014954800000000, 0.0001167100000000, -0.0025967300000000 ] - [ -0.0003498800000000, -0.0001658100000000, 0.0004389400000000 ] - [ 0.0003881200000000, 0.0000040300000000, 0.0003615400000000 ] - [ 0.0002969600000000, -0.0000137000000000, 0.0000336300000000 ] - [ 0.0000076700000000, 0.0000483800000000, 0.0003335100000000 ] - [ 0.0000313500000000, 0.0003859100000000, 0.0004389400000000 ] - [ 0.0002903900000000, 0.0000655800000000, 0.0001094500000000 ] - [ -0.0002761000000000, -0.0000992700000000, -0.0003291600000000 ] - [ -0.0001975500000000, 0.0003341100000000, 0.0003615400000000 ] - [ -0.0000004000000000, 0.0001009400000000, 0.0003914400000000 ] - [ -0.0001905700000000, -0.0003381400000000, 0.0003615400000000 ] - [ -0.0004159500000000, 0.0001336300000000, 0.0002684700000000 ] - [ -0.0000045700000000, 0.0000274700000000, 0.0002386300000000 ] - [ 0.0002240200000000, -0.0001894700000000, -0.0003291600000000 ] - [ -0.0000803800000000, -0.0001748600000000, 0.0000628100000000 ] - [ -0.0001199300000000, 0.0002056200000000, 0.0003359500000000 ] - [ -0.0004582500000000, 0.0001527000000000, 0.0002614400000000 ] - [ 0.0002835400000000, -0.0000236600000000, -0.0001843300000000 ] - [ -0.0000215000000000, -0.0000176900000000, 0.0002386300000000 ] - [ -0.0000924800000000, -0.0000358600000000, 0.0000868300000000 ] - [ 0.0003613600000000, 0.0003205100000000, 0.0002614400000000 ] - [ 0.0001916200000000, 0.0000178200000000, 0.0000628100000000 ] - [ -0.0000457400000000, -0.0000175500000000, 0.0003335100000000 ] - [ -0.0008488200000000, 0.0012367700000000, -0.0025967300000000 ] - [ -0.0026691500000000, 0.0045557200000000, -0.0048129200000000 ] - [ -0.0002019900000000, 0.0002187000000000, 0.0001094500000000 ] - [ -0.0001949300000000, -0.0001092600000000, -0.0002146400000000 ] - [ 0.0000772900000000, -0.0000621600000000, 0.0000868300000000 ] - [ -0.0001181100000000, -0.0002066700000000, 0.0003359500000000 ] - [ -0.0001622600000000, -0.0002337200000000, -0.0001843300000000 ] - [ 0.0004212900000000, -0.0003638600000000, 0.0004977400000000 ] - [ -0.0005257600000000, -0.0001829200000000, 0.0004977400000000 ] - [ 0.0002802000000000, -0.0000422800000000, -0.0000449200000000 ] - [ -0.0000872200000000, -0.0000508100000000, 0.0003914400000000 ] - [ 0.0000922500000000, -0.0004270400000000, 0.0002684700000000 ] - [ 0.0018624900000000, -0.0000446200000000, -0.0017584900000000 ] - [ -0.0009388700000000, -0.0015096400000000, -0.0029078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032569100000000 ] - [ 0.0003696800000000, 0.0002366400000000, 0.0007371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004415100000000 ] - [ 0.0000273900000000, 0.0003699900000000, 0.0005486300000000 ] - [ -0.0003341100000000, -0.0001612700000000, 0.0005486300000000 ] - [ -0.0003897800000000, 0.0002018300000000, 0.0007371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014507000000000 ] - [ 0.0003067200000000, -0.0002087100000000, 0.0005486300000000 ] - [ -0.0009698900000000, -0.0015906600000000, -0.0017584900000000 ] - [ -0.0008926000000000, 0.0016352800000000, -0.0017584900000000 ] - [ 0.0000201000000000, -0.0004384700000000, 0.0007371400000000 ] - [ -0.0008379500000000, 0.0015679000000000, -0.0029078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001537300000000 ] - [ 0.0017768200000000, -0.0000582700000000, -0.0029078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0345420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002584800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005327400000000 ] - [ 0.0001197500000000, -0.0001602800000000, 0.0001245600000000 ] - [ 0.0004660000000000, 0.0005145100000000, 0.0008229900000000 ] - [ 0.0010078900000000, 0.0008338500000000, 0.0006065300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100668400000000 ] - [ 0.0001418100000000, 0.0002140600000000, -0.0006048900000000 ] - [ 0.0000237700000000, 0.0002113000000000, -0.0003409400000000 ] - [ -0.0001948700000000, -0.0000850600000000, -0.0003409400000000 ] - [ 0.0002241100000000, 0.0000385000000000, -0.0005333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002040600000000 ] - [ 0.0001057700000000, 0.0001205600000000, -0.0002554400000000 ] - [ 0.0001244300000000, 0.0012331000000000, 0.0005865700000000 ] - [ 0.0004732900000000, 0.0000247900000000, 0.0003308600000000 ] - [ -0.0009112300000000, 0.0000041400000000, -0.0005285000000000 ] - [ 0.0001697300000000, -0.0002676900000000, -0.0007867300000000 ] - [ 0.0000669200000000, -0.0002792500000000, 0.0014269000000000 ] - [ -0.0002562900000000, 0.0000157800000000, -0.0006048900000000 ] - [ 0.0003293300000000, 0.0005349600000000, -0.0021514700000000 ] - [ -0.0001986800000000, -0.0000235700000000, 0.0001245600000000 ] - [ 0.0002210200000000, 0.0003823600000000, -0.0004206400000000 ] - [ 0.0010056800000000, -0.0007243100000000, 0.0005865700000000 ] - [ -0.0000182600000000, 0.0000309900000000, -0.0002783400000000 ] - [ -0.0002518200000000, -0.0001217800000000, -0.0006785700000000 ] - [ 0.0000837800000000, 0.0003160000000000, -0.0005372200000000 ] - [ -0.0001572900000000, 0.0000313200000000, -0.0002554400000000 ] - [ 0.0005851400000000, 0.0010639300000000, 0.0005263400000000 ] - [ -0.0002753000000000, 0.0000816700000000, 0.0014269000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009338500000000 ] - [ 0.0002104100000000, -0.0001342800000000, 0.0005668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005838900000000 ] - [ 0.0006288200000000, -0.0010387100000000, 0.0005263400000000 ] - [ 0.0000789300000000, 0.0001838500000000, 0.0001245600000000 ] - [ -0.0001256300000000, 0.0000743900000000, -0.0004568400000000 ] - [ 0.0001144800000000, -0.0002298400000000, -0.0006048900000000 ] - [ -0.0004416400000000, 0.0000002300000000, -0.0004206400000000 ] - [ 0.0000936900000000, 0.0003014000000000, -0.0004214100000000 ] - [ -0.0001454000000000, 0.0001748300000000, -0.0005333200000000 ] - [ 0.0002181900000000, -0.0012897800000000, 0.0006065300000000 ] - [ -0.0000144400000000, 0.0001288500000000, 0.0016488800000000 ] - [ 0.0001711000000000, -0.0001262300000000, -0.0003409400000000 ] - [ -0.0000309400000000, -0.0000183100000000, 0.0001171200000000 ] - [ -0.0003166900000000, -0.0000131500000000, -0.0007867300000000 ] - [ -0.0012260800000000, 0.0004559300000000, 0.0006065300000000 ] - [ -0.0006785800000000, 0.0001463100000000, 0.0008229900000000 ] - [ 0.0002206200000000, -0.0003825900000000, -0.0004206400000000 ] - [ 0.0002317800000000, -0.0002305500000000, -0.0005372200000000 ] - [ 0.0006481000000000, 0.0008804000000000, 0.0009656400000000 ] - [ -0.0002581100000000, 0.0003974900000000, 0.0003308600000000 ] - [ 0.0000204500000000, 0.0002789700000000, -0.0006785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006644600000000 ] - [ 0.0002313700000000, -0.0001572000000000, -0.0006785700000000 ] - [ -0.0006836700000000, 0.0012217500000000, -0.0016300600000000 ] - [ -0.0003155500000000, -0.0000854500000000, -0.0005372200000000 ] - [ -0.0000016000000000, -0.0001459900000000, -0.0004568400000000 ] - [ 0.0000313300000000, -0.0000176400000000, 0.0001171200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005267400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007311800000000 ] - [ -0.0002151800000000, -0.0004222700000000, 0.0003308600000000 ] - [ 0.0000359700000000, 0.0000003100000000, -0.0002783400000000 ] - [ -0.0010864900000000, 0.0001210700000000, 0.0009656400000000 ] - [ -0.0011301100000000, -0.0005087900000000, 0.0005865700000000 ] - [ -0.0000177100000000, -0.0000313100000000, -0.0002783400000000 ] - [ 0.0001272400000000, 0.0000716100000000, -0.0004568400000000 ] - [ 0.0001188100000000, -0.0000519200000000, 0.0016488800000000 ] - [ 0.0002083800000000, 0.0001975800000000, 0.0014269000000000 ] - [ -0.0012139600000000, -0.0000252200000000, 0.0005263400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009864200000000 ] - [ 0.0004520400000000, -0.0007912200000000, -0.0005285000000000 ] - [ 0.0004592000000000, 0.0007870800000000, -0.0005285000000000 ] - [ 0.0002141800000000, -0.0002318400000000, -0.0004214100000000 ] - [ 0.0001469600000000, 0.0002808300000000, -0.0007867300000000 ] - [ -0.0006279500000000, 0.0000177300000000, -0.0021514700000000 ] - [ -0.0000787100000000, -0.0002133400000000, -0.0005333200000000 ] - [ 0.0002986200000000, -0.0005526900000000, -0.0021514700000000 ] - [ -0.0007162300000000, -0.0012029500000000, -0.0016300600000000 ] - [ -0.0002214900000000, -0.0001150800000000, 0.0005668900000000 ] - [ -0.0000003900000000, 0.0000359500000000, 0.0001171200000000 ] - [ 0.0000515200000000, -0.0001518800000000, -0.0002554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005457600000000 ] - [ -0.0003078700000000, -0.0000695600000000, -0.0004214100000000 ] - [ 0.0004384000000000, -0.0010014700000000, 0.0009656400000000 ] - [ 0.0013999000000000, -0.0000188000000000, -0.0016300600000000 ] - [ 0.0000110900000000, 0.0002493600000000, 0.0005668900000000 ] - [ -0.0001043700000000, -0.0000769400000000, 0.0016488800000000 ] - [ 0.0002125800000000, -0.0006608200000000, 0.0008229900000000 ] - [ 0.0002677200000000, -0.0000340900000000, -0.0002707500000000 ] - [ 0.0004209200000000, -0.0001166300000000, 0.0001224200000000 ] - [ -0.0000078500000000, -0.0000220800000000, -0.0002396400000000 ] - [ -0.0003416800000000, 0.0001800100000000, -0.0000731700000000 ] - [ 0.0005656200000000, -0.0000421600000000, 0.0001025600000000 ] - [ 0.0000230400000000, 0.0000042400000000, -0.0002396400000000 ] - [ -0.0003193200000000, -0.0004687600000000, 0.0001025600000000 ] - [ 0.0003267300000000, 0.0002059000000000, -0.0000731700000000 ] - [ -0.0001043300000000, 0.0002489000000000, -0.0002707500000000 ] - [ -0.0000048700000000, 0.0000263100000000, -0.0006633800000000 ] - [ -0.0001633800000000, -0.0002148000000000, -0.0002707500000000 ] - [ -0.0002462900000000, 0.0005109200000000, 0.0001025600000000 ] - [ -0.0000203500000000, -0.0000173700000000, -0.0006633800000000 ] - [ 0.0000149500000000, -0.0003859000000000, -0.0000731700000000 ] - [ 0.0000252200000000, -0.0000089400000000, -0.0006633800000000 ] - [ -0.0001094500000000, 0.0004228400000000, 0.0001224200000000 ] - [ -0.0000152000000000, 0.0000178300000000, -0.0002396400000000 ] - [ -0.0003114700000000, -0.0003062100000000, 0.0001224200000000 ]- atom: 87 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001175600000000, -0.0000383500000000, 0.0000968100000000 ] - [ 0.0021985600000000, -0.0003625300000000, 0.0006426200000000 ] - [ 0.0035514100000000, -0.0030822800000000, 0.0023670500000000 ] - [ -0.0007906600000000, -0.0002969000000000, 0.0004497800000000 ] - [ -0.0000737500000000, 0.0002347800000000, -0.0002648900000000 ] - [ -0.0001069500000000, -0.0001844300000000, -0.0000184600000000 ] - [ 0.0002439900000000, 0.0000031100000000, 0.0000076200000000 ] - [ -0.0000737500000000, -0.0002347800000000, -0.0002648900000000 ] - [ -0.0001337300000000, 0.0003240000000000, 0.0001293300000000 ] - [ -0.0001128700000000, 0.0001863300000000, -0.0000057700000000 ] - [ -0.0007906600000000, 0.0002969000000000, 0.0004497800000000 ] - [ -0.0001316100000000, -0.0002211100000000, -0.0000988200000000 ] - [ -0.0001427000000000, -0.0002119000000000, -0.0002788200000000 ] - [ 0.0000172200000000, 0.0001775300000000, -0.0002634300000000 ] - [ 0.0001978000000000, -0.0001033700000000, -0.0001533000000000 ] - [ 0.0021985600000000, 0.0003625300000000, 0.0006426200000000 ] - [ 0.0031047800000000, 0.0000000000000000, -0.0006711800000000 ] - [ -0.0001614400000000, 0.0006701700000000, -0.0000544200000000 ] - [ 0.0000240800000000, -0.0000138300000000, -0.0003197200000000 ] - [ -0.0001427000000000, 0.0002119000000000, -0.0002788200000000 ] - [ 0.0002439900000000, -0.0000031100000000, 0.0000076200000000 ] - [ 0.0003087400000000, 0.0000368900000000, 0.0000933400000000 ] - [ 0.0001175600000000, 0.0000383500000000, 0.0000968100000000 ] - [ 0.0093467100000000, 0.0000000000000000, -0.0045234200000000 ] - [ -0.0001953600000000, 0.0000000000000000, 0.0001854300000000 ] - [ -0.0001304900000000, -0.0001760600000000, -0.0002945600000000 ] - [ -0.0000140300000000, 0.0001096700000000, -0.0001808100000000 ] - [ -0.0002191600000000, 0.0000818100000000, 0.0007155700000000 ] - [ -0.0001573100000000, -0.0006032000000000, 0.0001020600000000 ] - [ 0.0000172200000000, -0.0001775300000000, -0.0002634300000000 ] - [ 0.0003388900000000, 0.0000000000000000, -0.0000092300000000 ] - [ 0.0002839000000000, 0.0000000000000000, -0.0001375500000000 ] - [ 0.0003146100000000, -0.0000061000000000, 0.0003007900000000 ] - [ 0.0003146100000000, 0.0000061000000000, 0.0003007900000000 ] - [ 0.0001978000000000, 0.0001033700000000, -0.0001533000000000 ] - [ -0.0000300300000000, 0.0001731700000000, -0.0000219000000000 ] - [ -0.0001957300000000, 0.0003408600000000, 0.0000339600000000 ] - [ -0.0001316100000000, 0.0002211100000000, -0.0000988200000000 ] - [ -0.0001957300000000, -0.0003408600000000, 0.0000339600000000 ] - [ -0.0001337300000000, -0.0003240000000000, 0.0001293300000000 ] - [ 0.0002230600000000, 0.0000638000000000, -0.0003103800000000 ] - [ -0.0001614400000000, -0.0006701700000000, -0.0000544200000000 ] - [ -0.0000140300000000, -0.0001096700000000, -0.0001808100000000 ] - [ -0.0001069500000000, 0.0001844300000000, -0.0000184600000000 ] - [ 0.0000240800000000, 0.0000138300000000, -0.0003197200000000 ] - [ -0.0001573100000000, 0.0006032000000000, 0.0001020600000000 ] - [ -0.0001304900000000, 0.0001760600000000, -0.0002945600000000 ] - [ -0.0001730500000000, -0.0000377600000000, 0.0003926900000000 ] - [ -0.0001730500000000, 0.0000377600000000, 0.0003926900000000 ] - [ 0.0001384700000000, 0.0000000000000000, -0.0001367800000000 ] - [ -0.0002191600000000, -0.0000818100000000, 0.0007155700000000 ] - [ -0.0011645800000000, 0.0002052500000000, 0.0004420200000000 ] - [ -0.0000300300000000, -0.0001731700000000, -0.0000219000000000 ] - [ -0.0001465400000000, 0.0001438900000000, -0.0001314100000000 ] - [ 0.0035514100000000, 0.0030822800000000, 0.0023670500000000 ] - [ 0.0003087400000000, -0.0000368900000000, 0.0000933400000000 ] - [ -0.0001128700000000, -0.0001863300000000, -0.0000057700000000 ] - [ -0.0011645800000000, -0.0002052500000000, 0.0004420200000000 ] - [ -0.0001188200000000, -0.0002844000000000, 0.0003464200000000 ] - [ -0.0001188200000000, 0.0002844000000000, 0.0003464200000000 ] - [ 0.0002230600000000, -0.0000638000000000, -0.0003103800000000 ] - [ -0.0001465400000000, -0.0001438900000000, -0.0001314100000000 ] - [ -0.0002839000000000, 0.0000000000000000, -0.0000867800000000 ] - [ 0.0012441200000000, 0.0030870800000000, 0.0011577200000000 ] - [ 0.0008940700000000, 0.0023682700000000, 0.0013739600000000 ] - [ -0.0000395500000000, 0.0000145100000000, 0.0000816300000000 ] - [ -0.0003443000000000, 0.0000012000000000, -0.0004937400000000 ] - [ 0.0001668400000000, 0.0002052900000000, 0.0001262300000000 ] - [ -0.0003443000000000, -0.0000012000000000, -0.0004937400000000 ] - [ 0.0029872400000000, 0.0000000000000000, 0.0004409100000000 ] - [ 0.0000772700000000, 0.0000000000000000, -0.0003392300000000 ] - [ 0.0001617100000000, 0.0001222200000000, 0.0000201000000000 ] - [ -0.0003289900000000, 0.0000000000000000, -0.0007464200000000 ] - [ -0.0003232800000000, 0.0000000000000000, -0.0004075800000000 ] - [ -0.0000395500000000, -0.0000145100000000, 0.0000816300000000 ] - [ 0.0001617100000000, -0.0001222200000000, 0.0000201000000000 ] - [ -0.0042625200000000, 0.0000000000000000, -0.0014190100000000 ] - [ 0.0012441200000000, -0.0030870800000000, 0.0011577200000000 ] - [ 0.0001668400000000, -0.0002052900000000, 0.0001262300000000 ] - [ -0.0030100100000000, 0.0000000000000000, -0.0023988300000000 ] - [ -0.0003492500000000, 0.0000029800000000, -0.0002964700000000 ] - [ -0.0003492500000000, -0.0000029800000000, -0.0002964700000000 ] - [ 0.0001927100000000, 0.0000000000000000, 0.0003550700000000 ] - [ 0.0008940700000000, -0.0023682700000000, 0.0013739600000000 ] - [ 0.0003131000000000, -0.0000018000000000, -0.0001200300000000 ] - [ 0.0003131000000000, 0.0000018000000000, -0.0001200300000000 ] - [ -0.0271619100000000, 0.0000000000000000, 0.0002897600000000 ] - [ -0.0001316700000000, 0.0000743500000000, 0.0000319700000000 ] - [ 0.0001951400000000, -0.0013179500000000, -0.0002304600000000 ] - [ 0.0024813900000000, 0.0000000000000000, 0.0008881200000000 ] - [ 0.0002032300000000, 0.0000846900000000, 0.0005337100000000 ] - [ 0.0001047100000000, 0.0001339600000000, -0.0003310500000000 ] - [ 0.0000970700000000, 0.0001796600000000, -0.0000922400000000 ] - [ -0.0000493900000000, 0.0000000000000000, 0.0000470400000000 ] - [ 0.0001151700000000, 0.0000311500000000, -0.0001630000000000 ] - [ -0.0015168400000000, 0.0000000000000000, -0.0004297700000000 ] - [ 0.0001083600000000, 0.0000000000000000, 0.0006370000000000 ] - [ 0.0015354900000000, 0.0003908400000000, 0.0009815900000000 ] - [ -0.0007567400000000, 0.0000000000000000, -0.0007758900000000 ] - [ -0.0006290800000000, 0.0000819300000000, -0.0003937200000000 ] - [ 0.0001047100000000, -0.0001339600000000, -0.0003310500000000 ] - [ -0.0000589800000000, 0.0011487600000000, -0.0004084200000000 ] - [ -0.0001437900000000, 0.0000245500000000, -0.0003209500000000 ] - [ 0.0006402700000000, 0.0007456300000000, -0.0005269900000000 ] - [ -0.0006109300000000, 0.0000000000000000, 0.0003124200000000 ] - [ 0.0001167600000000, 0.0001650500000000, 0.0000031300000000 ] - [ -0.0007209700000000, 0.0006028900000000, -0.0001391400000000 ] - [ -0.0000919200000000, 0.0001178100000000, 0.0000091100000000 ] - [ -0.0000832000000000, -0.0000847900000000, -0.0003332600000000 ] - [ -0.0000051100000000, 0.0001463900000000, -0.0002905300000000 ] - [ -0.0000552000000000, -0.0000203300000000, 0.0000236300000000 ] - [ 0.0002815000000000, -0.0011491400000000, -0.0005440100000000 ] - [ -0.0000589800000000, -0.0011487600000000, -0.0004084200000000 ] - [ 0.0000173000000000, 0.0000082100000000, -0.0000144800000000 ] - [ 0.0001072900000000, 0.0023894400000000, -0.0002851300000000 ] - [ 0.0000613900000000, -0.0000083800000000, 0.0008183600000000 ] - [ 0.0015897300000000, 0.0000000000000000, 0.0005837400000000 ] - [ -0.0001316700000000, -0.0000743500000000, 0.0000319700000000 ] - [ 0.0000419000000000, 0.0000000000000000, -0.0000476600000000 ] - [ 0.0000913400000000, -0.0001664300000000, -0.0003216100000000 ] - [ -0.0003462800000000, -0.0000019200000000, -0.0001872500000000 ] - [ 0.0001234900000000, 0.0002159800000000, -0.0001891500000000 ] - [ -0.0001769700000000, 0.0000771500000000, -0.0002918600000000 ] - [ -0.0000318300000000, 0.0009072100000000, -0.0001264700000000 ] - [ 0.0021074200000000, 0.0000000000000000, 0.0009211200000000 ] - [ 0.0000970700000000, -0.0001796600000000, -0.0000922400000000 ] - [ 0.0001462500000000, -0.0000125200000000, 0.0001352200000000 ] - [ -0.0001437900000000, -0.0000245500000000, -0.0003209500000000 ] - [ -0.0000318300000000, -0.0009072100000000, -0.0001264700000000 ] - [ -0.0010232100000000, 0.0004326700000000, -0.0000397400000000 ] - [ 0.0001234900000000, -0.0002159800000000, -0.0001891500000000 ] - [ 0.0001151700000000, -0.0000311500000000, -0.0001630000000000 ] - [ -0.0010232100000000, -0.0004326700000000, -0.0000397400000000 ] - [ -0.0011746600000000, 0.0007196200000000, 0.0009963300000000 ] - [ -0.0000832000000000, 0.0000847900000000, -0.0003332600000000 ] - [ 0.0002032300000000, -0.0000846900000000, 0.0005337100000000 ] - [ 0.0001772000000000, 0.0000000000000000, 0.0001006700000000 ] - [ 0.0001462500000000, 0.0000125200000000, 0.0001352200000000 ] - [ -0.0001769700000000, -0.0000771500000000, -0.0002918600000000 ] - [ 0.0000762700000000, -0.0001639600000000, -0.0002284500000000 ] - [ 0.0002855500000000, -0.0000802300000000, 0.0001623100000000 ] - [ 0.0000173000000000, -0.0000082100000000, -0.0000144800000000 ] - [ -0.0005248200000000, 0.0000000000000000, -0.0004398100000000 ] - [ -0.0011746600000000, -0.0007196200000000, 0.0009963300000000 ] - [ 0.0000778100000000, 0.0000000000000000, -0.0000089200000000 ] - [ 0.0001951400000000, 0.0013179500000000, -0.0002304600000000 ] - [ 0.0001072900000000, -0.0023894400000000, -0.0002851300000000 ] - [ -0.0000919200000000, -0.0001178100000000, 0.0000091100000000 ] - [ 0.0000762700000000, 0.0001639600000000, -0.0002284500000000 ] - [ -0.0000179400000000, 0.0011128000000000, -0.0008371600000000 ] - [ 0.0021909700000000, 0.0000000000000000, 0.0005067200000000 ] - [ 0.0002815000000000, 0.0011491400000000, -0.0005440100000000 ] - [ 0.0000613900000000, 0.0000083800000000, 0.0008183600000000 ] - [ 0.0006402700000000, -0.0007456300000000, -0.0005269900000000 ] - [ 0.0004741400000000, 0.0007645500000000, -0.0005344700000000 ] - [ 0.0001167600000000, -0.0001650500000000, 0.0000031300000000 ] - [ 0.0000913400000000, 0.0001664300000000, -0.0003216100000000 ] - [ -0.0006290800000000, -0.0000819300000000, -0.0003937200000000 ] - [ -0.0000051100000000, -0.0001463900000000, -0.0002905300000000 ] - [ 0.0004741400000000, -0.0007645500000000, -0.0005344700000000 ] - [ 0.0000223600000000, -0.0000540000000000, 0.0001720900000000 ] - [ -0.0007209700000000, -0.0006028900000000, -0.0001391400000000 ] - [ 0.0000223600000000, 0.0000540000000000, 0.0001720900000000 ] - [ -0.0000552000000000, 0.0000203300000000, 0.0000236300000000 ] - [ -0.0000266700000000, 0.0000000000000000, -0.0000422400000000 ] - [ -0.0003462800000000, 0.0000019200000000, -0.0001872500000000 ] - [ 0.0010200600000000, 0.0000709600000000, 0.0010948100000000 ] - [ 0.0002855500000000, 0.0000802300000000, 0.0001623100000000 ] - [ 0.0015354900000000, -0.0003908400000000, 0.0009815900000000 ] - [ -0.0000179400000000, -0.0011128000000000, -0.0008371600000000 ] - [ 0.0010200600000000, -0.0000709600000000, 0.0010948100000000 ] - [ -0.0000046200000000, -0.0000862300000000, 0.0000296300000000 ] - [ -0.0001303100000000, 0.0004825300000000, 0.0003787900000000 ] - [ -0.0000102200000000, -0.0000243600000000, 0.0000842300000000 ] - [ -0.0001319700000000, 0.0000000000000000, 0.0000095500000000 ] - [ -0.0000806300000000, -0.0004385100000000, 0.0002886100000000 ] - [ -0.0000102200000000, 0.0000243600000000, 0.0000842300000000 ] - [ 0.0005975500000000, 0.0000000000000000, -0.0005257800000000 ] - [ 0.0000881700000000, 0.0002737800000000, 0.0002460500000000 ] - [ -0.0000046200000000, 0.0000862300000000, 0.0000296300000000 ] - [ -0.0000032100000000, 0.0000234600000000, -0.0003536100000000 ] - [ 0.0000080800000000, 0.0000000000000000, -0.0001332500000000 ] - [ -0.0000806300000000, 0.0004385100000000, 0.0002886100000000 ] - [ 0.0000064600000000, 0.0000000000000000, -0.0003555100000000 ] - [ 0.0000881700000000, -0.0002737800000000, 0.0002460500000000 ] - [ -0.0000032100000000, -0.0000234600000000, -0.0003536100000000 ] - [ 0.0010586500000000, 0.0000000000000000, -0.0004684400000000 ] - [ 0.0000207700000000, 0.0000000000000000, 0.0000673500000000 ] - [ -0.0001303100000000, -0.0004825300000000, 0.0003787900000000 ]- atom: 87 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000641000000000, 0.0004628600000000, 0.0003313600000000 ] - [ -0.0023095500000000, 0.0005547900000000, -0.0002720100000000 ] - [ -0.0036181200000000, 0.0032709000000000, -0.0021470400000000 ] - [ 0.0008054800000000, 0.0000146400000000, -0.0002029400000000 ] - [ -0.0001790800000000, 0.0002096200000000, -0.0001798500000000 ] - [ -0.0001145700000000, -0.0002047500000000, 0.0000082400000000 ] - [ 0.0002094800000000, 0.0000032200000000, -0.0000201600000000 ] - [ -0.0001790800000000, -0.0002096200000000, -0.0001798500000000 ] - [ 0.0000036500000000, -0.0000870900000000, -0.0000122500000000 ] - [ -0.0001153700000000, 0.0001998800000000, -0.0000046800000000 ] - [ 0.0008054800000000, -0.0000146400000000, -0.0002029400000000 ] - [ -0.0000005200000000, -0.0002101000000000, -0.0001560100000000 ] - [ -0.0000562300000000, -0.0002085100000000, -0.0003101800000000 ] - [ 0.0000041200000000, -0.0003358300000000, 0.0007689200000000 ] - [ 0.0002329800000000, -0.0000019900000000, -0.0001054400000000 ] - [ -0.0023095500000000, -0.0005547900000000, -0.0002720100000000 ] - [ -0.0029955600000000, 0.0000000000000000, 0.0011573000000000 ] - [ 0.0004025700000000, -0.0004979400000000, 0.0003012700000000 ] - [ -0.0000519300000000, 0.0003088800000000, 0.0004284900000000 ] - [ -0.0000562300000000, 0.0002085100000000, -0.0003101800000000 ] - [ 0.0002094800000000, -0.0000032200000000, -0.0000201600000000 ] - [ -0.0000424800000000, 0.0000821000000000, 0.0000216200000000 ] - [ -0.0000641000000000, -0.0004628600000000, 0.0003313600000000 ] - [ -0.0088253400000000, 0.0000000000000000, 0.0045135200000000 ] - [ 0.0004722200000000, 0.0000000000000000, 0.0003995200000000 ] - [ -0.0001405900000000, -0.0001971200000000, -0.0002931900000000 ] - [ -0.0000953900000000, 0.0000883600000000, -0.0001529800000000 ] - [ 0.0000663000000000, -0.0001378700000000, -0.0002115800000000 ] - [ 0.0004949000000000, 0.0008591500000000, 0.0003267300000000 ] - [ 0.0000041200000000, 0.0003358300000000, 0.0007689200000000 ] - [ 0.0004090900000000, 0.0000000000000000, 0.0000494200000000 ] - [ 0.0002237300000000, 0.0000000000000000, -0.0003091800000000 ] - [ -0.0001850100000000, 0.0001050400000000, 0.0001997700000000 ] - [ -0.0001850100000000, -0.0001050400000000, 0.0001997700000000 ] - [ 0.0002329800000000, 0.0000019900000000, -0.0001054400000000 ] - [ -0.0002318100000000, -0.0002927200000000, 0.0002721200000000 ] - [ -0.0001850400000000, 0.0003067000000000, 0.0000045200000000 ] - [ -0.0000005200000000, 0.0002101000000000, -0.0001560100000000 ] - [ -0.0001850400000000, -0.0003067000000000, 0.0000045200000000 ] - [ 0.0000036500000000, 0.0000870900000000, -0.0000122500000000 ] - [ 0.0002447500000000, -0.0000079300000000, -0.0002778400000000 ] - [ 0.0004025700000000, 0.0004979400000000, 0.0003012700000000 ] - [ -0.0000953900000000, -0.0000883600000000, -0.0001529800000000 ] - [ -0.0001145700000000, 0.0002047500000000, 0.0000082400000000 ] - [ -0.0000519300000000, -0.0003088800000000, 0.0004284900000000 ] - [ 0.0004949000000000, -0.0008591500000000, 0.0003267300000000 ] - [ -0.0001405900000000, 0.0001971200000000, -0.0002931900000000 ] - [ -0.0000665900000000, -0.0001366500000000, -0.0002844200000000 ] - [ -0.0000665900000000, 0.0001366500000000, -0.0002844200000000 ] - [ 0.0000937200000000, 0.0000000000000000, -0.0001933500000000 ] - [ 0.0000663000000000, 0.0001378700000000, -0.0002115800000000 ] - [ 0.0007699600000000, -0.0000339600000000, -0.0000133300000000 ] - [ -0.0002318100000000, 0.0002927200000000, 0.0002721200000000 ] - [ -0.0001606400000000, 0.0001825800000000, -0.0001232900000000 ] - [ -0.0036181200000000, -0.0032709000000000, -0.0021470400000000 ] - [ -0.0000424800000000, -0.0000821000000000, 0.0000216200000000 ] - [ -0.0001153700000000, -0.0001998800000000, -0.0000046800000000 ] - [ 0.0007699600000000, 0.0000339600000000, -0.0000133300000000 ] - [ -0.0000165600000000, 0.0000420500000000, 0.0002389700000000 ] - [ -0.0000165600000000, -0.0000420500000000, 0.0002389700000000 ] - [ 0.0002447500000000, 0.0000079300000000, -0.0002778400000000 ] - [ -0.0001606400000000, -0.0001825800000000, -0.0001232900000000 ] - [ 0.0005609700000000, 0.0000000000000000, 0.0002040000000000 ] - [ -0.0011735200000000, -0.0031768500000000, -0.0005636500000000 ] - [ -0.0009732700000000, -0.0022574200000000, -0.0011348700000000 ] - [ 0.0000386100000000, -0.0000192500000000, 0.0000815900000000 ] - [ 0.0003437900000000, 0.0000003600000000, -0.0004940100000000 ] - [ 0.0001140500000000, 0.0002826600000000, -0.0002291500000000 ] - [ 0.0003437900000000, -0.0000003600000000, -0.0004940100000000 ] - [ -0.0029847000000000, 0.0000000000000000, 0.0004410300000000 ] - [ -0.0000776600000000, 0.0000000000000000, -0.0003395200000000 ] - [ 0.0000728400000000, 0.0002841000000000, -0.0004910500000000 ] - [ -0.0001373400000000, 0.0000000000000000, 0.0002751600000000 ] - [ -0.0002417300000000, 0.0000000000000000, 0.0003032100000000 ] - [ 0.0000386100000000, 0.0000192500000000, 0.0000815900000000 ] - [ 0.0000728400000000, -0.0002841000000000, -0.0004910500000000 ] - [ 0.0041689900000000, 0.0000000000000000, 0.0020246100000000 ] - [ -0.0011735200000000, 0.0031768500000000, -0.0005636500000000 ] - [ 0.0001140500000000, -0.0002826600000000, -0.0002291500000000 ] - [ 0.0031348500000000, 0.0000000000000000, 0.0026170700000000 ] - [ 0.0003496800000000, -0.0000100200000000, -0.0002966800000000 ] - [ 0.0003496800000000, 0.0000100200000000, -0.0002966800000000 ] - [ -0.0001927300000000, 0.0000000000000000, 0.0003552200000000 ] - [ -0.0009732700000000, 0.0022574200000000, -0.0011348700000000 ] - [ -0.0003152400000000, -0.0000006500000000, -0.0001199400000000 ] - [ -0.0003152400000000, 0.0000006500000000, -0.0001199400000000 ] - [ 0.0269164800000000, 0.0000000000000000, 0.0002841500000000 ] - [ 0.0002491500000000, -0.0002770100000000, 0.0002184700000000 ] - [ 0.0002349400000000, 0.0015080400000000, 0.0007800900000000 ] - [ -0.0018588500000000, 0.0000000000000000, -0.0004687300000000 ] - [ -0.0002040500000000, -0.0000857600000000, 0.0005341400000000 ] - [ 0.0000944100000000, 0.0001408500000000, -0.0003191700000000 ] - [ 0.0000596300000000, 0.0000839100000000, 0.0000002900000000 ] - [ -0.0002524200000000, 0.0000000000000000, -0.0001380200000000 ] - [ 0.0001522200000000, 0.0001106700000000, -0.0003339000000000 ] - [ 0.0015147800000000, 0.0000000000000000, -0.0004308500000000 ] - [ -0.0000246300000000, 0.0000000000000000, -0.0001822400000000 ] - [ -0.0020443700000000, -0.0000120800000000, -0.0006148500000000 ] - [ 0.0018665800000000, 0.0000000000000000, 0.0015857700000000 ] - [ -0.0010354100000000, -0.0001284300000000, -0.0005763700000000 ] - [ 0.0000944100000000, -0.0001408500000000, -0.0003191700000000 ] - [ -0.0000379500000000, -0.0013004600000000, 0.0002024700000000 ] - [ -0.0001906000000000, 0.0000113100000000, -0.0003279100000000 ] - [ 0.0002293400000000, 0.0006692100000000, -0.0004432000000000 ] - [ 0.0003766300000000, 0.0000000000000000, -0.0000608100000000 ] - [ 0.0001538400000000, 0.0002844400000000, -0.0002518600000000 ] - [ 0.0012909600000000, -0.0003684700000000, 0.0005149400000000 ] - [ -0.0000326000000000, 0.0000980300000000, -0.0000029000000000 ] - [ -0.0000486500000000, -0.0001512000000000, -0.0000458500000000 ] - [ -0.0000012500000000, 0.0001556500000000, -0.0002056900000000 ] - [ 0.0000099100000000, 0.0000939900000000, 0.0004337900000000 ] - [ -0.0000497800000000, 0.0007552200000000, 0.0002054300000000 ] - [ -0.0000379500000000, 0.0013004600000000, 0.0002024700000000 ] - [ -0.0000154900000000, -0.0000086500000000, -0.0000144900000000 ] - [ -0.0001846800000000, -0.0017658900000000, 0.0006569700000000 ] - [ -0.0000637900000000, 0.0000090300000000, 0.0008188800000000 ] - [ -0.0020413300000000, 0.0000000000000000, -0.0009160100000000 ] - [ 0.0002491500000000, 0.0002770100000000, 0.0002184700000000 ] - [ -0.0002572800000000, 0.0000000000000000, -0.0002893700000000 ] - [ 0.0000452900000000, -0.0001379700000000, -0.0003268700000000 ] - [ -0.0001884600000000, 0.0000135500000000, -0.0000618400000000 ] - [ 0.0001309100000000, 0.0002529300000000, -0.0000600500000000 ] - [ -0.0000784400000000, 0.0000837100000000, -0.0002054700000000 ] - [ -0.0002878300000000, -0.0014507600000000, 0.0005516800000000 ] - [ -0.0019633200000000, 0.0000000000000000, -0.0014171600000000 ] - [ 0.0000596300000000, -0.0000839100000000, 0.0000002900000000 ] - [ -0.0002312600000000, -0.0001420000000000, 0.0001765700000000 ] - [ -0.0001906000000000, -0.0000113100000000, -0.0003279100000000 ] - [ -0.0002878300000000, 0.0014507600000000, 0.0005516800000000 ] - [ 0.0006622400000000, -0.0001563500000000, 0.0005859200000000 ] - [ 0.0001309100000000, -0.0002529300000000, -0.0000600500000000 ] - [ 0.0001522200000000, -0.0001106700000000, -0.0003339000000000 ] - [ 0.0006622400000000, 0.0001563500000000, 0.0005859200000000 ] - [ 0.0006230300000000, 0.0002434300000000, -0.0001845500000000 ] - [ -0.0000486500000000, 0.0001512000000000, -0.0000458500000000 ] - [ -0.0002040500000000, 0.0000857600000000, 0.0005341400000000 ] - [ 0.0000967800000000, 0.0000000000000000, -0.0004766300000000 ] - [ -0.0002312600000000, 0.0001420000000000, 0.0001765700000000 ] - [ -0.0000784400000000, -0.0000837100000000, -0.0002054700000000 ] - [ 0.0000254600000000, -0.0000207500000000, -0.0001079300000000 ] - [ -0.0001120300000000, 0.0000844500000000, 0.0001504200000000 ] - [ -0.0000154900000000, 0.0000086500000000, -0.0000144900000000 ] - [ 0.0005261200000000, 0.0000000000000000, -0.0004408300000000 ] - [ 0.0006230300000000, -0.0002434300000000, -0.0001845500000000 ] - [ 0.0001723200000000, 0.0000000000000000, 0.0000151700000000 ] - [ 0.0002349400000000, -0.0015080400000000, 0.0007800900000000 ] - [ -0.0001846800000000, 0.0017658900000000, 0.0006569700000000 ] - [ -0.0000326000000000, -0.0000980300000000, -0.0000029000000000 ] - [ 0.0000254600000000, 0.0000207500000000, -0.0001079300000000 ] - [ -0.0000387300000000, -0.0012252200000000, 0.0003330300000000 ] - [ -0.0020304100000000, 0.0000000000000000, -0.0007179200000000 ] - [ -0.0000497800000000, -0.0007552200000000, 0.0002054300000000 ] - [ -0.0000637900000000, -0.0000090300000000, 0.0008188800000000 ] - [ 0.0002293400000000, -0.0006692100000000, -0.0004432000000000 ] - [ 0.0003139500000000, 0.0007019400000000, -0.0004364800000000 ] - [ 0.0001538400000000, -0.0002844400000000, -0.0002518600000000 ] - [ 0.0000452900000000, 0.0001379700000000, -0.0003268700000000 ] - [ -0.0010354100000000, 0.0001284300000000, -0.0005763700000000 ] - [ -0.0000012500000000, -0.0001556500000000, -0.0002056900000000 ] - [ 0.0003139500000000, -0.0007019400000000, -0.0004364800000000 ] - [ -0.0001107200000000, -0.0000893400000000, 0.0001423000000000 ] - [ 0.0012909600000000, 0.0003684700000000, 0.0005149400000000 ] - [ -0.0001107200000000, 0.0000893400000000, 0.0001423000000000 ] - [ 0.0000099100000000, -0.0000939900000000, 0.0004337900000000 ] - [ 0.0000238200000000, 0.0000000000000000, -0.0000429100000000 ] - [ -0.0001884600000000, -0.0000135500000000, -0.0000618400000000 ] - [ -0.0010746600000000, 0.0003780300000000, -0.0005418600000000 ] - [ -0.0001120300000000, -0.0000844500000000, 0.0001504200000000 ] - [ -0.0020443700000000, 0.0000120800000000, -0.0006148500000000 ] - [ -0.0000387300000000, 0.0012252200000000, 0.0003330300000000 ] - [ -0.0010746600000000, -0.0003780300000000, -0.0005418600000000 ] - [ 0.0000462100000000, 0.0000072900000000, -0.0000792100000000 ] - [ 0.0000161100000000, -0.0006864200000000, -0.0001864500000000 ] - [ 0.0000073900000000, 0.0000179300000000, 0.0000725400000000 ] - [ -0.0003285900000000, 0.0000000000000000, 0.0003237300000000 ] - [ 0.0001059700000000, 0.0003912500000000, -0.0002550800000000 ] - [ 0.0000073900000000, -0.0000179300000000, 0.0000725400000000 ] - [ -0.0006530000000000, 0.0000000000000000, 0.0005636600000000 ] - [ 0.0001468500000000, 0.0001270500000000, 0.0000874200000000 ] - [ 0.0000462100000000, -0.0000072900000000, -0.0000792100000000 ] - [ 0.0000182100000000, -0.0000045400000000, -0.0003541300000000 ] - [ -0.0001022900000000, 0.0000000000000000, 0.0000870200000000 ] - [ 0.0001059700000000, -0.0003912500000000, -0.0002550800000000 ] - [ -0.0000202500000000, 0.0000000000000000, -0.0003546500000000 ] - [ 0.0001468500000000, -0.0001270500000000, 0.0000874200000000 ] - [ 0.0000182100000000, 0.0000045400000000, -0.0003541300000000 ] - [ -0.0008204400000000, 0.0000000000000000, 0.0006561500000000 ] - [ -0.0000349400000000, 0.0000000000000000, 0.0000899200000000 ] - [ 0.0000161100000000, 0.0006864200000000, -0.0001864500000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000167800000000, 0.0000948500000000, 0.0006963700000000 ] - [ 0.0007084700000000, -0.0012271100000000, 0.0032270400000000 ] - [ 0.0023295600000000, -0.0040349100000000, 0.0047365900000000 ] - [ 0.0001771000000000, -0.0000894300000000, 0.0004794500000000 ] - [ -0.0002457100000000, 0.0004255800000000, -0.0007572400000000 ] - [ -0.0001029000000000, -0.0001854700000000, -0.0003458900000000 ] - [ 0.0002120700000000, 0.0000036200000000, -0.0003458900000000 ] - [ -0.0002457100000000, -0.0004255800000000, -0.0007572400000000 ] - [ -0.0000963300000000, 0.0001668500000000, 0.0000206700000000 ] - [ -0.0001091700000000, 0.0001818500000000, -0.0003458900000000 ] - [ 0.0001771000000000, 0.0000894300000000, 0.0004794500000000 ] - [ -0.0000077500000000, -0.0001560900000000, -0.0003589100000000 ] - [ -0.0000639000000000, -0.0001823900000000, -0.0005483600000000 ] - [ -0.0004763700000000, 0.0001595100000000, 0.0000410800000000 ] - [ 0.0001390500000000, -0.0000713300000000, -0.0003589100000000 ] - [ 0.0007084700000000, 0.0012271100000000, 0.0032270400000000 ] - [ -0.0014169400000000, 0.0000000000000000, 0.0032270400000000 ] - [ -0.0000111000000000, 0.0001980900000000, 0.0004794500000000 ] - [ -0.0004108700000000, -0.0000356900000000, -0.0001394900000000 ] - [ -0.0000639000000000, 0.0001823900000000, -0.0005483600000000 ] - [ 0.0002120700000000, -0.0000036200000000, -0.0003458900000000 ] - [ 0.0001745300000000, -0.0003736600000000, -0.0001394900000000 ] - [ -0.0000167800000000, -0.0000948500000000, 0.0006963700000000 ] - [ -0.0046591100000000, 0.0000000000000000, 0.0047365900000000 ] - [ 0.0001970700000000, 0.0000000000000000, 0.0002149500000000 ] - [ -0.0001260100000000, -0.0001465400000000, -0.0005483600000000 ] - [ -0.0001228900000000, 0.0002128500000000, -0.0006890900000000 ] - [ 0.0003763300000000, -0.0003327900000000, 0.0000410800000000 ] - [ 0.0000905300000000, 0.0000329000000000, 0.0006963700000000 ] - [ -0.0004763700000000, -0.0001595100000000, 0.0000410800000000 ] - [ 0.0003624700000000, 0.0000000000000000, -0.0002939700000000 ] - [ 0.0004914200000000, 0.0000000000000000, -0.0007572400000000 ] - [ 0.0001000500000000, -0.0004923100000000, 0.0000410800000000 ] - [ 0.0001000500000000, 0.0004923100000000, 0.0000410800000000 ] - [ 0.0001390500000000, 0.0000713300000000, -0.0003589100000000 ] - [ -0.0001660000000000, 0.0001086600000000, 0.0004794500000000 ] - [ -0.0001812300000000, 0.0003139000000000, -0.0002939700000000 ] - [ -0.0000077500000000, 0.0001560900000000, -0.0003589100000000 ] - [ -0.0001812300000000, -0.0003139000000000, -0.0002939700000000 ] - [ -0.0000963300000000, -0.0001668500000000, 0.0000206700000000 ] - [ 0.0001899100000000, 0.0000358600000000, -0.0005483600000000 ] - [ -0.0000111000000000, -0.0001980900000000, 0.0004794500000000 ] - [ -0.0001228900000000, -0.0002128500000000, -0.0006890900000000 ] - [ -0.0001029000000000, 0.0001854700000000, -0.0003458900000000 ] - [ -0.0004108700000000, 0.0000356900000000, -0.0001394900000000 ] - [ 0.0000905300000000, -0.0000329000000000, 0.0006963700000000 ] - [ -0.0001260100000000, 0.0001465400000000, -0.0005483600000000 ] - [ 0.0002363400000000, -0.0003379800000000, -0.0001394900000000 ] - [ 0.0002363400000000, 0.0003379800000000, -0.0001394900000000 ] - [ 0.0002457800000000, 0.0000000000000000, -0.0006890900000000 ] - [ 0.0003763300000000, 0.0003327900000000, 0.0000410800000000 ] - [ -0.0000737500000000, 0.0000619500000000, 0.0006963700000000 ] - [ -0.0001660000000000, -0.0001086600000000, 0.0004794500000000 ] - [ -0.0001313000000000, 0.0000847600000000, -0.0003589100000000 ] - [ 0.0023295600000000, 0.0040349100000000, 0.0047365900000000 ] - [ 0.0001745300000000, 0.0003736600000000, -0.0001394900000000 ] - [ -0.0001091700000000, -0.0001818500000000, -0.0003458900000000 ] - [ -0.0000737500000000, -0.0000619500000000, 0.0006963700000000 ] - [ -0.0000985300000000, -0.0001706700000000, 0.0002149500000000 ] - [ -0.0000985300000000, 0.0001706700000000, 0.0002149500000000 ] - [ 0.0001899100000000, -0.0000358600000000, -0.0005483600000000 ] - [ -0.0001313000000000, -0.0000847600000000, -0.0003589100000000 ] - [ 0.0001926600000000, 0.0000000000000000, 0.0000206700000000 ] - [ 0.0009238300000000, -0.0016001200000000, 0.0033107400000000 ] - [ 0.0008902400000000, -0.0015419400000000, 0.0021861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006995800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008550400000000 ] - [ 0.0002362300000000, 0.0004091600000000, -0.0008177600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008550400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033930700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017108000000000 ] - [ 0.0002322700000000, 0.0004023000000000, -0.0010484100000000 ] - [ -0.0004645400000000, 0.0000000000000000, -0.0010484100000000 ] - [ -0.0004724600000000, 0.0000000000000000, -0.0008177600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006995800000000 ] - [ 0.0002322700000000, -0.0004023000000000, -0.0010484100000000 ] - [ -0.0018476600000000, 0.0000000000000000, 0.0033107400000000 ] - [ 0.0009238300000000, 0.0016001200000000, 0.0033107400000000 ] - [ 0.0002362300000000, -0.0004091600000000, -0.0008177600000000 ] - [ -0.0017804800000000, 0.0000000000000000, 0.0021861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042753000000000 ] - [ 0.0008902400000000, 0.0015419400000000, 0.0021861900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004885300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0339724100000000 ] - [ 0.0007150600000000, -0.0012385300000000, 0.0019114500000000 ] - [ -0.0001679200000000, 0.0011303000000000, -0.0001264600000000 ] - [ 0.0008004200000000, 0.0000000000000000, -0.0003399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203100000000 ] - [ 0.0000572900000000, 0.0000584300000000, -0.0000430000000000 ] - [ -0.0000140400000000, -0.0000243100000000, 0.0002559500000000 ] - [ 0.0000280700000000, 0.0000000000000000, 0.0002559500000000 ] - [ 0.0001790300000000, 0.0000131900000000, 0.0000424100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098873000000000 ] - [ 0.0002375700000000, 0.0000000000000000, 0.0007326700000000 ] - [ 0.0010448100000000, -0.0000270400000000, -0.0004990900000000 ] - [ 0.0003415800000000, 0.0000000000000000, 0.0021199300000000 ] - [ -0.0007494400000000, 0.0000019000000000, -0.0004103800000000 ] - [ 0.0000572900000000, -0.0000584300000000, -0.0000430000000000 ] - [ 0.0000304300000000, 0.0000527000000000, -0.0020046100000000 ] - [ -0.0000792400000000, 0.0000204000000000, -0.0000430000000000 ] - [ 0.0003730800000000, 0.0006499800000000, -0.0004103800000000 ] - [ -0.0014301300000000, 0.0000000000000000, 0.0019114500000000 ] - [ 0.0001980900000000, 0.0001503900000000, 0.0001699700000000 ] - [ -0.0005458200000000, -0.0008913200000000, -0.0004990900000000 ] - [ -0.0001392700000000, 0.0002412200000000, 0.0004684900000000 ] - [ -0.0001328400000000, -0.0002300900000000, 0.0002835800000000 ] - [ -0.0000781000000000, 0.0001616400000000, 0.0000424100000000 ] - [ -0.0001187900000000, 0.0002057400000000, 0.0007326700000000 ] - [ -0.0001440600000000, 0.0002495200000000, -0.0005461400000000 ] - [ 0.0000304300000000, -0.0000527000000000, -0.0020046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004890100000000 ] - [ -0.0004989900000000, -0.0009183500000000, -0.0004990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011099300000000 ] - [ 0.0002881200000000, 0.0000000000000000, -0.0005461400000000 ] - [ 0.0007150600000000, 0.0012385300000000, 0.0019114500000000 ] - [ 0.0000800100000000, 0.0000000000000000, 0.0001172500000000 ] - [ 0.0000219500000000, -0.0000788200000000, -0.0000430000000000 ] - [ -0.0002292900000000, 0.0000963500000000, 0.0001699700000000 ] - [ 0.0000312000000000, 0.0002467400000000, 0.0001699700000000 ] - [ -0.0001009400000000, 0.0001484500000000, 0.0000424100000000 ] - [ -0.0004002100000000, -0.0006931800000000, -0.0003399200000000 ] - [ 0.0002881000000000, 0.0000000000000000, -0.0017804900000000 ] - [ -0.0000140400000000, 0.0000243100000000, 0.0002559500000000 ] - [ -0.0000995500000000, -0.0001313900000000, 0.0001572300000000 ] - [ -0.0000792400000000, -0.0000204000000000, -0.0000430000000000 ] - [ -0.0004002100000000, 0.0006931800000000, -0.0003399200000000 ] - [ -0.0008949100000000, -0.0007105800000000, -0.0001264600000000 ] - [ 0.0000312000000000, -0.0002467400000000, 0.0001699700000000 ] - [ 0.0001790300000000, -0.0000131900000000, 0.0000424100000000 ] - [ -0.0008949100000000, 0.0007105800000000, -0.0001264600000000 ] - [ -0.0001707900000000, 0.0002958200000000, 0.0021199300000000 ] - [ -0.0001328400000000, 0.0002300900000000, 0.0002835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203100000000 ] - [ 0.0002656800000000, 0.0000000000000000, 0.0002835800000000 ] - [ -0.0000995500000000, 0.0001313900000000, 0.0001572300000000 ] - [ -0.0001009400000000, -0.0001484500000000, 0.0000424100000000 ] - [ -0.0000400000000000, 0.0000692900000000, 0.0001172500000000 ] - [ 0.0001635700000000, -0.0000205200000000, 0.0001572300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004890100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014116000000000 ] - [ -0.0001707900000000, -0.0002958200000000, 0.0021199300000000 ] - [ 0.0002785300000000, 0.0000000000000000, 0.0004684900000000 ] - [ -0.0001679200000000, -0.0011303000000000, -0.0001264600000000 ] - [ -0.0004989900000000, 0.0009183500000000, -0.0004990900000000 ] - [ -0.0001392700000000, -0.0002412200000000, 0.0004684900000000 ] - [ -0.0000400000000000, -0.0000692900000000, 0.0001172500000000 ] - [ -0.0001440500000000, -0.0002495000000000, -0.0017804900000000 ] - [ -0.0000608500000000, 0.0000000000000000, -0.0020046100000000 ] - [ -0.0001440600000000, -0.0002495200000000, -0.0005461400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011099300000000 ] - [ 0.0003730800000000, -0.0006499800000000, -0.0004103800000000 ] - [ 0.0003763600000000, 0.0006480900000000, -0.0004103800000000 ] - [ 0.0001980900000000, -0.0001503900000000, 0.0001699700000000 ] - [ 0.0000219500000000, 0.0000788200000000, -0.0000430000000000 ] - [ -0.0007494400000000, -0.0000019000000000, -0.0004103800000000 ] - [ -0.0000781000000000, -0.0001616400000000, 0.0000424100000000 ] - [ 0.0003763600000000, -0.0006480900000000, -0.0004103800000000 ] - [ -0.0000640100000000, -0.0001519100000000, 0.0001572300000000 ] - [ -0.0005458200000000, 0.0008913200000000, -0.0004990900000000 ] - [ -0.0000640100000000, 0.0001519100000000, 0.0001572300000000 ] - [ -0.0001187900000000, -0.0002057400000000, 0.0007326700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008759600000000 ] - [ -0.0002292900000000, -0.0000963500000000, 0.0001699700000000 ] - [ 0.0010628300000000, 0.0004197200000000, -0.0001264600000000 ] - [ 0.0001635700000000, 0.0000205200000000, 0.0001572300000000 ] - [ 0.0010448100000000, 0.0000270400000000, -0.0004990900000000 ] - [ -0.0001440500000000, 0.0002495000000000, -0.0017804900000000 ] - [ 0.0010628300000000, -0.0004197200000000, -0.0001264600000000 ] - [ 0.0001257800000000, -0.0002178600000000, 0.0002148500000000 ] - [ 0.0002084200000000, 0.0003609900000000, 0.0000029900000000 ] - [ 0.0000095800000000, -0.0000165900000000, 0.0003899400000000 ] - [ -0.0004877700000000, 0.0000000000000000, 0.0004205600000000 ] - [ 0.0002654900000000, -0.0004598500000000, 0.0000087400000000 ] - [ 0.0000095800000000, 0.0000165900000000, 0.0003899400000000 ] - [ -0.0005309900000000, 0.0000000000000000, 0.0000087400000000 ] - [ 0.0002438900000000, 0.0004224200000000, 0.0004205600000000 ] - [ 0.0001257800000000, 0.0002178600000000, 0.0002148500000000 ] - [ 0.0000178100000000, 0.0000308500000000, -0.0000346300000000 ] - [ -0.0002515700000000, 0.0000000000000000, 0.0002148500000000 ] - [ 0.0002654900000000, 0.0004598500000000, 0.0000087400000000 ] - [ -0.0000356300000000, 0.0000000000000000, -0.0000346300000000 ] - [ 0.0002438900000000, -0.0004224200000000, 0.0004205600000000 ] - [ 0.0000178100000000, -0.0000308500000000, -0.0000346300000000 ] - [ -0.0004168400000000, 0.0000000000000000, 0.0000029900000000 ] - [ -0.0000191600000000, 0.0000000000000000, 0.0003899400000000 ] - [ 0.0002084200000000, -0.0003609900000000, 0.0000029900000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000662000000000, 0.0003311900000000, -0.0002641300000000 ] - [ -0.0007666900000000, 0.0013279500000000, -0.0028095500000000 ] - [ -0.0024664100000000, 0.0042719400000000, -0.0044974600000000 ] - [ -0.0001529800000000, -0.0001957600000000, -0.0002341900000000 ] - [ -0.0000109300000000, 0.0000189200000000, 0.0003134900000000 ] - [ -0.0001192900000000, -0.0002057500000000, 0.0003361600000000 ] - [ 0.0002378300000000, -0.0000004300000000, 0.0003361600000000 ] - [ -0.0000109300000000, -0.0000189200000000, 0.0003134900000000 ] - [ -0.0000383200000000, 0.0000663700000000, 0.0001032600000000 ] - [ -0.0001185400000000, 0.0002061800000000, 0.0003361600000000 ] - [ -0.0001529800000000, 0.0001957600000000, -0.0002341900000000 ] - [ -0.0001218100000000, -0.0002753600000000, 0.0000997400000000 ] - [ -0.0001248900000000, -0.0002416000000000, -0.0000356300000000 ] - [ 0.0005044200000000, -0.0003228800000000, 0.0004604200000000 ] - [ 0.0002993700000000, -0.0000321900000000, 0.0000997400000000 ] - [ -0.0007666900000000, -0.0013279500000000, -0.0028095500000000 ] - [ 0.0015333800000000, 0.0000000000000000, -0.0028095500000000 ] - [ 0.0002460200000000, -0.0000346000000000, -0.0002341900000000 ] - [ 0.0003772900000000, 0.0003310800000000, 0.0002459300000000 ] - [ -0.0001248900000000, 0.0002416000000000, -0.0000356300000000 ] - [ 0.0002378300000000, 0.0000004300000000, 0.0003361600000000 ] - [ 0.0000980800000000, 0.0004922900000000, 0.0002459300000000 ] - [ 0.0000662000000000, -0.0003311900000000, -0.0002641300000000 ] - [ 0.0049328200000000, 0.0000000000000000, -0.0044974600000000 ] - [ 0.0000794500000000, 0.0000000000000000, 0.0003727100000000 ] - [ -0.0001467900000000, -0.0002289500000000, -0.0000356300000000 ] - [ 0.0000089600000000, -0.0000155200000000, 0.0003557700000000 ] - [ -0.0005318300000000, 0.0002754000000000, 0.0004604200000000 ] - [ 0.0002537200000000, 0.0002229300000000, -0.0002641300000000 ] - [ 0.0005044200000000, 0.0003228800000000, 0.0004604200000000 ] - [ 0.0003881300000000, 0.0000000000000000, 0.0003335700000000 ] - [ 0.0000218500000000, 0.0000000000000000, 0.0003134900000000 ] - [ 0.0000274100000000, 0.0005982800000000, 0.0004604200000000 ] - [ 0.0000274100000000, -0.0005982800000000, 0.0004604200000000 ] - [ 0.0002993700000000, 0.0000321900000000, 0.0000997400000000 ] - [ -0.0000930500000000, -0.0002303600000000, -0.0002341900000000 ] - [ -0.0001940600000000, 0.0003361300000000, 0.0003335700000000 ] - [ -0.0001218100000000, 0.0002753600000000, 0.0000997400000000 ] - [ -0.0001940600000000, -0.0003361300000000, 0.0003335700000000 ] - [ -0.0000383200000000, -0.0000663700000000, 0.0001032600000000 ] - [ 0.0002716700000000, 0.0000126400000000, -0.0000356300000000 ] - [ 0.0002460200000000, 0.0000346000000000, -0.0002341900000000 ] - [ 0.0000089600000000, 0.0000155200000000, 0.0003557700000000 ] - [ -0.0001192900000000, 0.0002057500000000, 0.0003361600000000 ] - [ 0.0003772900000000, -0.0003310800000000, 0.0002459300000000 ] - [ 0.0002537200000000, -0.0002229300000000, -0.0002641300000000 ] - [ -0.0001467900000000, 0.0002289500000000, -0.0000356300000000 ] - [ -0.0004753700000000, 0.0001612100000000, 0.0002459300000000 ] - [ -0.0004753700000000, -0.0001612100000000, 0.0002459300000000 ] - [ -0.0000179200000000, 0.0000000000000000, 0.0003557700000000 ] - [ -0.0005318300000000, -0.0002754000000000, 0.0004604200000000 ] - [ -0.0003199200000000, 0.0001082600000000, -0.0002641300000000 ] - [ -0.0000930500000000, 0.0002303600000000, -0.0002341900000000 ] - [ -0.0001775700000000, 0.0002431700000000, 0.0000997400000000 ] - [ -0.0024664100000000, -0.0042719400000000, -0.0044974600000000 ] - [ 0.0000980800000000, -0.0004922900000000, 0.0002459300000000 ] - [ -0.0001185400000000, -0.0002061800000000, 0.0003361600000000 ] - [ -0.0003199200000000, -0.0001082600000000, -0.0002641300000000 ] - [ -0.0000397300000000, -0.0000688100000000, 0.0003727100000000 ] - [ -0.0000397300000000, 0.0000688100000000, 0.0003727100000000 ] - [ 0.0002716700000000, -0.0000126400000000, -0.0000356300000000 ] - [ -0.0001775700000000, -0.0002431700000000, 0.0000997400000000 ] - [ 0.0000766400000000, 0.0000000000000000, 0.0001032600000000 ] - [ -0.0008693800000000, 0.0015058100000000, -0.0027297700000000 ] - [ -0.0009579500000000, 0.0016592100000000, -0.0019420300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302200000000 ] - [ 0.0000463000000000, 0.0000802000000000, 0.0007182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010326900000000 ] - [ 0.0000003900000000, 0.0000006700000000, 0.0005754200000000 ] - [ -0.0000007700000000, 0.0000000000000000, 0.0005754200000000 ] - [ -0.0000926100000000, 0.0000000000000000, 0.0007182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008615200000000 ] - [ 0.0000003900000000, -0.0000006700000000, 0.0005754200000000 ] - [ 0.0017387600000000, 0.0000000000000000, -0.0027297700000000 ] - [ -0.0008693800000000, -0.0015058100000000, -0.0027297700000000 ] - [ 0.0000463000000000, -0.0000802000000000, 0.0007182200000000 ] - [ 0.0019158900000000, 0.0000000000000000, -0.0019420300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050020600000000 ] - [ -0.0009579500000000, -0.0016592100000000, -0.0019420300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002485800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0339954700000000 ] - [ -0.0005880700000000, 0.0010185600000000, -0.0016472700000000 ] - [ 0.0005914100000000, -0.0009469600000000, 0.0006687600000000 ] - [ -0.0001684100000000, 0.0000000000000000, 0.0007690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007544000000000 ] - [ 0.0001395600000000, 0.0002122400000000, -0.0006059900000000 ] - [ 0.0001651400000000, 0.0002860300000000, -0.0003470000000000 ] - [ -0.0003302800000000, 0.0000000000000000, -0.0003470000000000 ] - [ 0.0000871300000000, 0.0001271600000000, -0.0005387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105311600000000 ] - [ -0.0001540100000000, 0.0000000000000000, -0.0002714200000000 ] - [ -0.0015459600000000, 0.0004087600000000, 0.0008813100000000 ] - [ 0.0007790400000000, 0.0000000000000000, -0.0013245200000000 ] - [ -0.0009173300000000, -0.0000495800000000, -0.0005656000000000 ] - [ 0.0001395600000000, -0.0002122400000000, -0.0006059900000000 ] - [ -0.0001221100000000, -0.0002114900000000, 0.0018007800000000 ] - [ -0.0002535900000000, 0.0000147400000000, -0.0006059900000000 ] - [ 0.0005016000000000, 0.0007696500000000, -0.0005656000000000 ] - [ 0.0011761300000000, 0.0000000000000000, -0.0016472700000000 ] - [ 0.0000767700000000, 0.0003044700000000, -0.0004201200000000 ] - [ 0.0011269800000000, 0.0011344600000000, 0.0008813100000000 ] - [ 0.0000138900000000, -0.0000240600000000, -0.0004624000000000 ] - [ -0.0000035900000000, -0.0000062100000000, -0.0006693600000000 ] - [ 0.0000665600000000, 0.0001390400000000, -0.0005387100000000 ] - [ 0.0000770100000000, -0.0001333800000000, -0.0002714200000000 ] - [ 0.0003743900000000, -0.0006484600000000, 0.0002025700000000 ] - [ -0.0001221100000000, 0.0002114900000000, 0.0018007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005192700000000 ] - [ 0.0004189800000000, 0.0015432200000000, 0.0008813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005284300000000 ] - [ -0.0007487800000000, 0.0000000000000000, 0.0002025700000000 ] - [ -0.0005880700000000, -0.0010185600000000, -0.0016472700000000 ] - [ -0.0002953700000000, 0.0000000000000000, -0.0004553800000000 ] - [ 0.0001140300000000, -0.0002269800000000, -0.0006059900000000 ] - [ -0.0003020600000000, -0.0000857500000000, -0.0004201200000000 ] - [ 0.0002252900000000, 0.0002187200000000, -0.0004201200000000 ] - [ -0.0001536900000000, 0.0000118700000000, -0.0005387100000000 ] - [ 0.0000842000000000, 0.0001458500000000, 0.0007690700000000 ] - [ -0.0001646000000000, 0.0000000000000000, 0.0012761500000000 ] - [ 0.0001651400000000, -0.0002860300000000, -0.0003470000000000 ] - [ 0.0000167600000000, -0.0000215200000000, 0.0001580100000000 ] - [ -0.0002535900000000, -0.0000147400000000, -0.0006059900000000 ] - [ 0.0000842000000000, -0.0001458500000000, 0.0007690700000000 ] - [ 0.0005243900000000, 0.0009856600000000, 0.0006687600000000 ] - [ 0.0002252900000000, -0.0002187200000000, -0.0004201200000000 ] - [ 0.0000871300000000, -0.0001271600000000, -0.0005387100000000 ] - [ 0.0005243900000000, -0.0009856600000000, 0.0006687600000000 ] - [ -0.0003895200000000, 0.0006746700000000, -0.0013245200000000 ] - [ -0.0000035900000000, 0.0000062100000000, -0.0006693600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007544000000000 ] - [ 0.0000071700000000, 0.0000000000000000, -0.0006693600000000 ] - [ 0.0000167600000000, 0.0000215200000000, 0.0001580100000000 ] - [ -0.0001536900000000, -0.0000118700000000, -0.0005387100000000 ] - [ 0.0001476900000000, -0.0002558000000000, -0.0004553800000000 ] - [ 0.0000102600000000, 0.0000252800000000, 0.0001580100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023124100000000 ] - [ -0.0003895200000000, -0.0006746700000000, -0.0013245200000000 ] - [ -0.0000277800000000, 0.0000000000000000, -0.0004624000000000 ] - [ 0.0005914100000000, 0.0009469600000000, 0.0006687600000000 ] - [ 0.0004189800000000, -0.0015432200000000, 0.0008813100000000 ] - [ 0.0000138900000000, 0.0000240600000000, -0.0004624000000000 ] - [ 0.0001476900000000, 0.0002558000000000, -0.0004553800000000 ] - [ 0.0000823000000000, 0.0001425400000000, 0.0012761500000000 ] - [ 0.0002442100000000, 0.0000000000000000, 0.0018007800000000 ] - [ 0.0003743900000000, 0.0006484600000000, 0.0002025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005284300000000 ] - [ 0.0005016000000000, -0.0007696500000000, -0.0005656000000000 ] - [ 0.0004157300000000, 0.0008192200000000, -0.0005656000000000 ] - [ 0.0000767700000000, -0.0003044700000000, -0.0004201200000000 ] - [ 0.0001140300000000, 0.0002269800000000, -0.0006059900000000 ] - [ -0.0009173300000000, 0.0000495800000000, -0.0005656000000000 ] - [ 0.0000665600000000, -0.0001390400000000, -0.0005387100000000 ] - [ 0.0004157300000000, -0.0008192200000000, -0.0005656000000000 ] - [ -0.0000270200000000, 0.0000037600000000, 0.0001580100000000 ] - [ 0.0011269800000000, -0.0011344600000000, 0.0008813100000000 ] - [ -0.0000270200000000, -0.0000037600000000, 0.0001580100000000 ] - [ 0.0000770100000000, 0.0001333800000000, -0.0002714200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009633700000000 ] - [ -0.0003020600000000, 0.0000857500000000, -0.0004201200000000 ] - [ -0.0011158000000000, 0.0000387000000000, 0.0006687600000000 ] - [ 0.0000102600000000, -0.0000252800000000, 0.0001580100000000 ] - [ -0.0015459600000000, -0.0004087600000000, 0.0008813100000000 ] - [ 0.0000823000000000, -0.0001425400000000, 0.0012761500000000 ] - [ -0.0011158000000000, -0.0000387000000000, 0.0006687600000000 ] - [ -0.0000797800000000, 0.0001381900000000, -0.0002644600000000 ] - [ -0.0003269600000000, -0.0005663100000000, 0.0001934200000000 ] - [ -0.0000057500000000, 0.0000099500000000, -0.0002338200000000 ] - [ 0.0000262300000000, 0.0000000000000000, -0.0000877400000000 ] - [ -0.0002383500000000, 0.0004128400000000, 0.0000271400000000 ] - [ -0.0000057500000000, -0.0000099500000000, -0.0002338200000000 ] - [ 0.0004767100000000, 0.0000000000000000, 0.0000271400000000 ] - [ -0.0000131200000000, -0.0000227200000000, -0.0000877400000000 ] - [ -0.0000797800000000, -0.0001381900000000, -0.0002644600000000 ] - [ -0.0000075100000000, -0.0000130100000000, -0.0006758800000000 ] - [ 0.0001595700000000, 0.0000000000000000, -0.0002644600000000 ] - [ -0.0002383500000000, -0.0004128400000000, 0.0000271400000000 ] - [ 0.0000150200000000, 0.0000000000000000, -0.0006758800000000 ] - [ -0.0000131200000000, 0.0000227200000000, -0.0000877400000000 ] - [ -0.0000075100000000, 0.0000130100000000, -0.0006758800000000 ] - [ 0.0006539100000000, 0.0000000000000000, 0.0001934200000000 ] - [ 0.0000114900000000, 0.0000000000000000, -0.0002338200000000 ] - [ -0.0003269600000000, 0.0005663100000000, 0.0001934200000000 ]- atom: 88 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000960400000000, 0.0001586300000000, 0.0001446000000000 ] - [ 0.0015428800000000, -0.0005810700000000, 0.0019553600000000 ] - [ -0.0000543600000000, 0.0001620500000000, -0.0000740400000000 ] - [ -0.0006114000000000, -0.0003348800000000, -0.0000373800000000 ] - [ -0.0001065300000000, 0.0002338900000000, -0.0002606200000000 ] - [ -0.0001549700000000, -0.0001247700000000, 0.0002393200000000 ] - [ 0.0005180500000000, 0.0000385600000000, -0.0000663800000000 ] - [ -0.0000919300000000, -0.0002428000000000, -0.0002645800000000 ] - [ -0.0000837900000000, 0.0001672700000000, 0.0000057600000000 ] - [ -0.0000187900000000, -0.0000228600000000, -0.0003796100000000 ] - [ -0.0005816000000000, 0.0003045500000000, -0.0000951100000000 ] - [ -0.0001000800000000, -0.0002503600000000, -0.0002263000000000 ] - [ -0.0009985600000000, -0.0003520300000000, 0.0000046300000000 ] - [ -0.0000018700000000, -0.0000579300000000, 0.0001641000000000 ] - [ 0.0001777100000000, -0.0000663200000000, -0.0001652200000000 ] - [ 0.0010291100000000, 0.0006382000000000, -0.0002840500000000 ] - [ -0.0006868800000000, -0.0001136100000000, -0.0016471300000000 ] - [ -0.0003999800000000, 0.0005885100000000, 0.0007829000000000 ] - [ 0.0001146600000000, -0.0016262400000000, 0.0005558200000000 ] - [ -0.0009307700000000, 0.0003364400000000, 0.0000534900000000 ] - [ 0.0003216000000000, 0.0000214800000000, 0.0000665100000000 ] - [ 0.0005679300000000, 0.0007117800000000, 0.0002906800000000 ] - [ 0.0000237200000000, -0.0000958900000000, 0.0001439400000000 ] - [ 0.0003453000000000, -0.0000517600000000, 0.0001485100000000 ] - [ -0.0013691000000000, -0.0001206700000000, 0.0004862500000000 ] - [ 0.0002408000000000, 0.0004630300000000, -0.0006960300000000 ] - [ 0.0024234800000000, 0.0003465500000000, -0.0007978200000000 ] - [ -0.0000612400000000, -0.0000468400000000, 0.0002095600000000 ] - [ 0.0000706200000000, 0.0000905400000000, 0.0001392600000000 ] - [ -0.0000068100000000, 0.0000596700000000, 0.0001629300000000 ] - [ 0.0000149900000000, -0.0000302900000000, -0.0002014400000000 ] - [ 0.0003185200000000, -0.0000205400000000, -0.0003440100000000 ] - [ 0.0001098100000000, 0.0000251600000000, 0.0001923200000000 ] - [ 0.0000767400000000, -0.0000278200000000, 0.0001709700000000 ] - [ 0.0001904900000000, 0.0000861900000000, -0.0001702600000000 ] - [ 0.0001462700000000, 0.0003911600000000, 0.0005301800000000 ] - [ -0.0002734100000000, 0.0005678100000000, -0.0000644200000000 ] - [ -0.0001111200000000, 0.0002266800000000, -0.0002458400000000 ] - [ -0.0002176300000000, -0.0004335500000000, 0.0000854600000000 ] - [ -0.0000703000000000, -0.0001276000000000, -0.0000110000000000 ] - [ -0.0005410700000000, 0.0008602900000000, -0.0009256400000000 ] - [ 0.0001959600000000, -0.0003416700000000, 0.0002016300000000 ] - [ 0.0008716500000000, -0.0007754100000000, -0.0002519300000000 ] - [ -0.0001532200000000, 0.0001445100000000, 0.0002485100000000 ] - [ 0.0048501600000000, -0.0004320900000000, -0.0006232500000000 ] - [ 0.0000797400000000, -0.0000380400000000, 0.0001265500000000 ] - [ -0.0002102500000000, 0.0001980500000000, -0.0002794200000000 ] - [ -0.0028773700000000, 0.0025274000000000, -0.0005461300000000 ] - [ -0.0029292700000000, -0.0022708200000000, -0.0004452800000000 ] - [ -0.0007611400000000, -0.0000439400000000, 0.0032777300000000 ] - [ -0.0000520900000000, 0.0000182000000000, 0.0001869900000000 ] - [ -0.0003038400000000, 0.0001250400000000, 0.0003252700000000 ] - [ -0.0001576400000000, 0.0001813700000000, 0.0001707000000000 ] - [ -0.0001247500000000, 0.0001418900000000, -0.0001745400000000 ] - [ -0.0000241400000000, -0.0001996000000000, -0.0000500300000000 ] - [ 0.0036150900000000, 0.0024236600000000, 0.0007521700000000 ] - [ -0.0000985000000000, -0.0001132100000000, -0.0006663200000000 ] - [ -0.0002685900000000, -0.0001622400000000, 0.0002961200000000 ] - [ -0.0001762900000000, -0.0003921400000000, 0.0003276100000000 ] - [ -0.0005866400000000, 0.0014849200000000, 0.0005083900000000 ] - [ 0.0002225600000000, -0.0005799400000000, -0.0002923200000000 ] - [ -0.0001584100000000, -0.0001241300000000, -0.0001779800000000 ] - [ 0.0000978100000000, 0.0000014900000000, -0.0000078000000000 ] - [ 0.0001986500000000, 0.0000210900000000, 0.0008276300000000 ] - [ -0.0002138500000000, 0.0025082900000000, -0.0005349900000000 ] - [ -0.0001694300000000, 0.0000940300000000, -0.0000829100000000 ] - [ -0.0028305400000000, -0.0001718700000000, -0.0004823400000000 ] - [ 0.0015216100000000, -0.0015921200000000, 0.0022310600000000 ] - [ -0.0003460300000000, 0.0012551200000000, -0.0002253600000000 ] - [ 0.0000964300000000, -0.0000260900000000, 0.0001595700000000 ] - [ 0.0006687600000000, -0.0001461000000000, -0.0002341100000000 ] - [ 0.0001860400000000, 0.0001129700000000, -0.0004294100000000 ] - [ -0.0003958100000000, -0.0000057000000000, -0.0003661100000000 ] - [ -0.0036402000000000, -0.0031660400000000, -0.0038434400000000 ] - [ -0.0006598100000000, 0.0001464100000000, -0.0001521500000000 ] - [ 0.0001990300000000, -0.0000843100000000, -0.0005042400000000 ] - [ -0.0003881800000000, -0.0000147400000000, -0.0003017400000000 ] - [ 0.0001957200000000, 0.0000067100000000, 0.0000887600000000 ] - [ 0.0004429100000000, 0.0023401400000000, 0.0013809800000000 ] - [ -0.0017552300000000, -0.0027183300000000, 0.0016529900000000 ] - [ -0.0000579500000000, 0.0000283500000000, -0.0004269700000000 ] - [ -0.0000291000000000, -0.0000020100000000, -0.0004407600000000 ] - [ 0.1467027500000000, -0.1027751900000000, 0.0431869100000000 ] - [ 0.0008550200000000, -0.0017620800000000, -0.0005234300000000 ] - [ 0.0001926200000000, -0.0000912900000000, -0.0001781200000000 ] - [ 0.0000645600000000, 0.0000018800000000, -0.0001374000000000 ] - [ -0.0001903300000000, 0.0001783200000000, 0.0008194800000000 ] - [ -0.1627537600000000, 0.1430473900000000, -0.0583649300000000 ] - [ 0.0002304600000000, -0.0013656500000000, 0.0011143400000000 ] - [ 0.0006151600000000, 0.0000029200000000, 0.0003756600000000 ] - [ 0.0000305000000000, -0.0000135800000000, 0.0006035100000000 ] - [ 0.0000841700000000, 0.0000536500000000, -0.0002758700000000 ] - [ 0.0000767500000000, 0.0008562300000000, -0.0006458400000000 ] - [ 0.0020917700000000, 0.0004600300000000, 0.0010450400000000 ] - [ 0.0022449700000000, 0.0011775500000000, 0.0013942400000000 ] - [ -0.0114770100000000, -0.0093692100000000, 0.0075098200000000 ] - [ 0.0000824500000000, -0.0000009400000000, 0.0003331600000000 ] - [ -0.0001783200000000, 0.0002393300000000, 0.0003534800000000 ] - [ 0.0005052900000000, 0.0000173100000000, 0.0004951100000000 ] - [ -0.0006944400000000, -0.0000444100000000, -0.0005575700000000 ] - [ 0.0002840400000000, -0.0002771400000000, -0.0003608700000000 ] - [ -0.0001574000000000, -0.0000859700000000, 0.0000304500000000 ] - [ -0.0000623500000000, 0.0001194300000000, -0.0002229700000000 ] - [ 0.0015998600000000, 0.0013195000000000, -0.0006501100000000 ] - [ 0.0301778600000000, -0.0382992700000000, 0.0071196400000000 ] - [ 0.0001715800000000, 0.0002223800000000, -0.0001128200000000 ] - [ 0.0002029900000000, 0.0000807300000000, 0.0002575600000000 ] - [ -0.0002938300000000, 0.0003116800000000, 0.0000486200000000 ] - [ 0.0000083800000000, 0.0011461400000000, -0.0014177000000000 ] - [ -0.0000759100000000, -0.0012231200000000, -0.0008474700000000 ] - [ -0.0000451000000000, 0.0000171200000000, 0.0003738300000000 ] - [ 0.0005951700000000, -0.0014479200000000, -0.0004612500000000 ] - [ -0.0001513400000000, 0.0000031800000000, -0.0005924800000000 ] - [ 0.0001241000000000, -0.0000143500000000, 0.0001387300000000 ] - [ -0.0001520200000000, 0.0003860200000000, 0.0002423700000000 ] - [ 0.0001234900000000, -0.0001962600000000, 0.0006562000000000 ] - [ 0.0007981400000000, 0.0004511000000000, -0.0002615900000000 ] - [ -0.0165152900000000, 0.0113842800000000, -0.0002921800000000 ] - [ 0.0000216000000000, -0.0000001300000000, -0.0000910900000000 ] - [ 0.0002453800000000, -0.0001771000000000, -0.0003103000000000 ] - [ -0.0003023200000000, -0.0000117400000000, -0.0000366300000000 ] - [ 0.0000658600000000, 0.0001457600000000, 0.0000307900000000 ] - [ -0.0004976600000000, -0.0003092500000000, -0.0005661600000000 ] - [ -0.0001900400000000, -0.0002869000000000, 0.0002946100000000 ] - [ 0.0003561300000000, 0.0005264600000000, -0.0012382400000000 ] - [ 0.0005808600000000, -0.0015344400000000, -0.0004157600000000 ] - [ -0.0000185600000000, -0.0000492900000000, 0.0002138000000000 ] - [ 0.0002615500000000, -0.0001917800000000, -0.0000606400000000 ] - [ -0.0001204000000000, 0.0001506000000000, 0.0001060100000000 ] - [ -0.0009302400000000, 0.0006661700000000, 0.0003394300000000 ] - [ 0.0000733400000000, -0.0001542200000000, -0.0000217700000000 ] - [ 0.0001549400000000, 0.0012564200000000, 0.0006195500000000 ] - [ -0.0000170500000000, -0.0008830400000000, 0.0004840100000000 ] - [ -0.0003167800000000, 0.0005186500000000, 0.0005289900000000 ] - [ -0.0000813000000000, -0.0011265600000000, -0.0009668800000000 ] - [ 0.0000084800000000, -0.0000013100000000, 0.0006185300000000 ] - [ 0.0026323600000000, 0.0014349000000000, 0.0017798500000000 ] - [ -0.0000035900000000, 0.0000446400000000, 0.0002130600000000 ] - [ -0.0015514500000000, 0.0002107600000000, -0.0007196700000000 ] - [ 0.0000409800000000, -0.0001323600000000, -0.0000836800000000 ] - [ 0.0000912200000000, -0.0000120900000000, 0.0002092400000000 ] - [ 0.0000286800000000, -0.0000303300000000, 0.0001006300000000 ] - [ -0.0000308000000000, 0.0000101900000000, -0.0002661300000000 ] - [ -0.0003173000000000, -0.0004860500000000, 0.0005201400000000 ] - [ -0.0004704000000000, 0.0000835700000000, -0.0000556000000000 ] - [ 0.0000537600000000, 0.0011520700000000, 0.0010465000000000 ] - [ -0.0000917900000000, -0.0002860000000000, 0.0000617100000000 ] - [ -0.0002871600000000, -0.0001623800000000, -0.0000061200000000 ] - [ 0.0000414300000000, 0.0001077900000000, -0.0001175400000000 ] - [ -0.0002245900000000, 0.0002467200000000, 0.0000878100000000 ] - [ 0.0003139400000000, 0.0000066400000000, 0.0003591200000000 ] - [ 0.0000646200000000, 0.0007080600000000, -0.0001946400000000 ] - [ 0.0006927900000000, -0.0000780000000000, 0.0007992800000000 ] - [ 0.0011881600000000, -0.0014436800000000, -0.0006580600000000 ] - [ 0.0001247000000000, -0.0000417600000000, -0.0005619900000000 ] - [ 0.0001691400000000, -0.0002206300000000, -0.0001104400000000 ] - [ 0.0003496900000000, 0.0001464100000000, -0.0002969400000000 ] - [ 0.0011342800000000, -0.0004901500000000, -0.0003802800000000 ] - [ -0.0001683500000000, 0.0009351700000000, -0.0008984500000000 ] - [ 0.0011396100000000, -0.0011465600000000, -0.0006769200000000 ] - [ -0.0000225400000000, -0.0000749500000000, 0.0002112300000000 ] - [ 0.0000793700000000, -0.0000867400000000, 0.0000739100000000 ] - [ -0.0000389300000000, 0.0000563000000000, 0.0002144500000000 ] - [ -0.0000407900000000, -0.0000239300000000, 0.0003540400000000 ] - [ -0.0010173400000000, 0.0002622900000000, -0.0002463100000000 ] - [ -0.0002897200000000, -0.0000006400000000, -0.0000749500000000 ] - [ 0.0014144800000000, 0.0016534500000000, -0.0017068200000000 ] - [ 0.0001067500000000, -0.0000014200000000, 0.0002049200000000 ] - [ -0.0001733800000000, -0.0002170900000000, 0.0003539700000000 ] - [ -0.0000135100000000, -0.0004011700000000, 0.0001454100000000 ] - [ -0.0000850400000000, 0.0005664600000000, -0.0001477400000000 ] - [ 0.0011338100000000, -0.0047263400000000, 0.0017120200000000 ] - [ -0.0000735000000000, -0.0000656100000000, 0.0001921000000000 ] - [ 0.0000013800000000, -0.0000825600000000, 0.0000393000000000 ] - [ -0.0002298600000000, 0.0000156800000000, 0.0002559200000000 ] - [ 0.0005324700000000, -0.0031447800000000, -0.0024608100000000 ] - [ -0.0000420000000000, 0.0000315000000000, 0.0000204000000000 ] - [ 0.0018924300000000, 0.0001425700000000, 0.0010918000000000 ] - [ 0.0001061000000000, 0.0002171000000000, 0.0002173000000000 ] - [ -0.0001484600000000, 0.0002818000000000, -0.0001539300000000 ] - [ -0.0001399400000000, 0.0002437700000000, -0.0003015500000000 ] - [ 0.0025642000000000, 0.0002139000000000, -0.0010115600000000 ] - [ -0.0002897800000000, -0.0000292000000000, -0.0001096100000000 ] - [ 0.0003998200000000, 0.0000040200000000, -0.0008121800000000 ] - [ 0.0001217500000000, -0.0002228000000000, 0.0002206600000000 ] - [ -0.0001372100000000, -0.0004423300000000, 0.0003846800000000 ] - [ 0.0001238800000000, 0.0000236300000000, 0.0000647400000000 ] - [ 0.0000454500000000, 0.0000485500000000, 0.0003978300000000 ] - [ -0.0000389400000000, 0.0000437900000000, 0.0001972400000000 ]- atom: 88 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000434300000000, 0.0002597200000000, 0.0002827700000000 ] - [ -0.0016374200000000, 0.0007989100000000, -0.0016174900000000 ] - [ 0.0000015300000000, -0.0000564100000000, 0.0003501600000000 ] - [ 0.0006253500000000, 0.0000599500000000, 0.0002911400000000 ] - [ -0.0001436800000000, 0.0002126900000000, -0.0001830300000000 ] - [ -0.0000677300000000, -0.0002596600000000, -0.0002482800000000 ] - [ -0.0000641300000000, -0.0000344500000000, 0.0000547600000000 ] - [ -0.0001682800000000, -0.0002072700000000, -0.0001754800000000 ] - [ -0.0000448100000000, 0.0000788900000000, 0.0001091800000000 ] - [ -0.0002139300000000, 0.0004112200000000, 0.0003657600000000 ] - [ 0.0005930000000000, -0.0000147900000000, 0.0003429700000000 ] - [ -0.0000383400000000, -0.0001859200000000, -0.0000241500000000 ] - [ 0.0007973100000000, -0.0000509800000000, -0.0005946500000000 ] - [ 0.0000306800000000, -0.0000972200000000, 0.0003395300000000 ] - [ 0.0002518200000000, -0.0000407400000000, -0.0000925200000000 ] - [ -0.0011352200000000, -0.0008348200000000, 0.0006110900000000 ] - [ 0.0009206800000000, 0.0001279900000000, 0.0019843200000000 ] - [ 0.0006428600000000, -0.0004274100000000, -0.0005326600000000 ] - [ -0.0001229800000000, 0.0019053600000000, -0.0004430300000000 ] - [ 0.0007352700000000, 0.0000899200000000, -0.0006447800000000 ] - [ 0.0001324200000000, -0.0000283800000000, -0.0000778900000000 ] - [ -0.0003065100000000, -0.0005628400000000, -0.0001799700000000 ] - [ 0.0000303500000000, -0.0003354300000000, 0.0002808800000000 ] - [ -0.0002271400000000, 0.0000587800000000, 0.0001289800000000 ] - [ 0.0016460000000000, 0.0001281500000000, 0.0001018100000000 ] - [ -0.0004912200000000, -0.0008367800000000, 0.0001065800000000 ] - [ -0.0025340000000000, -0.0001483800000000, 0.0004540000000000 ] - [ -0.0000884200000000, -0.0000056500000000, 0.0002936600000000 ] - [ 0.0002646500000000, 0.0001642900000000, 0.0002879800000000 ] - [ 0.0000218700000000, 0.0000974000000000, 0.0003363800000000 ] - [ 0.0007319100000000, 0.0000183500000000, 0.0002398600000000 ] - [ 0.0001928200000000, 0.0000275200000000, -0.0000997700000000 ] - [ 0.0000184000000000, 0.0000666000000000, 0.0003071100000000 ] - [ 0.0000529100000000, -0.0000776200000000, 0.0003279100000000 ] - [ 0.0002448800000000, 0.0000180800000000, -0.0000883000000000 ] - [ -0.0003921900000000, -0.0005141000000000, -0.0002761000000000 ] - [ -0.0001112600000000, 0.0000750900000000, 0.0001048400000000 ] - [ -0.0000169400000000, 0.0002028000000000, -0.0000132900000000 ] - [ -0.0001598400000000, -0.0002197700000000, -0.0000475200000000 ] - [ -0.0000621600000000, -0.0001014900000000, 0.0001292400000000 ] - [ 0.0010074900000000, -0.0008093800000000, 0.0003333100000000 ] - [ 0.0000408000000000, 0.0001578900000000, 0.0000440000000000 ] - [ -0.0009750900000000, 0.0005845500000000, -0.0000684800000000 ] - [ -0.0000708900000000, 0.0002506600000000, -0.0002604700000000 ] - [ -0.0043704000000000, -0.0000473200000000, 0.0006036700000000 ] - [ 0.0002586200000000, -0.0002115400000000, 0.0002988900000000 ] - [ -0.0000786300000000, 0.0001712600000000, -0.0003057900000000 ] - [ 0.0026302800000000, -0.0027141600000000, 0.0006577600000000 ] - [ 0.0026957500000000, 0.0024594400000000, 0.0005606900000000 ] - [ 0.0009894700000000, 0.0000583300000000, -0.0036250200000000 ] - [ -0.0001048400000000, 0.0000416600000000, 0.0003112400000000 ] - [ -0.0000826500000000, 0.0000440400000000, 0.0001009000000000 ] - [ -0.0001180500000000, -0.0000660300000000, 0.0000746000000000 ] - [ -0.0001832700000000, 0.0001768700000000, -0.0000832100000000 ] - [ -0.0000413000000000, 0.0000863900000000, 0.0003192500000000 ] - [ -0.0032975500000000, -0.0025343600000000, -0.0006290100000000 ] - [ -0.0001224400000000, -0.0002703200000000, 0.0006545600000000 ] - [ -0.0001329400000000, -0.0000072000000000, 0.0001290800000000 ] - [ 0.0000379900000000, 0.0001529700000000, 0.0002559700000000 ] - [ 0.0004517900000000, -0.0012334600000000, 0.0000798500000000 ] - [ 0.0002406100000000, 0.0005110000000000, -0.0002930700000000 ] - [ -0.0001506600000000, -0.0002134100000000, -0.0000722800000000 ] - [ 0.0001797400000000, 0.0000102800000000, 0.0001205700000000 ] - [ -0.0001460100000000, -0.0001116000000000, -0.0002360200000000 ] - [ 0.0001262500000000, -0.0023878400000000, 0.0007687700000000 ] - [ 0.0001772700000000, -0.0001008600000000, 0.0002434300000000 ] - [ 0.0028147400000000, 0.0001845300000000, -0.0005071600000000 ] - [ -0.0012473900000000, 0.0020827400000000, -0.0023253600000000 ] - [ 0.0003525700000000, -0.0012606700000000, -0.0007626600000000 ] - [ -0.0000957300000000, 0.0000271900000000, 0.0007367400000000 ] - [ -0.0006659200000000, 0.0001446800000000, -0.0004311600000000 ] - [ 0.0000509700000000, 0.0002969700000000, -0.0000403500000000 ] - [ -0.0000711900000000, 0.0000054100000000, -0.0001107700000000 ] - [ 0.0030629100000000, 0.0031416700000000, 0.0037031800000000 ] - [ 0.0006486700000000, -0.0001388900000000, 0.0003123100000000 ] - [ 0.0000331100000000, -0.0003179000000000, 0.0000271000000000 ] - [ 0.0002807800000000, 0.0000141700000000, 0.0008899300000000 ] - [ -0.0001382300000000, 0.0000904700000000, 0.0005015300000000 ] - [ -0.0001778700000000, -0.0028364900000000, -0.0014806000000000 ] - [ 0.0018813600000000, 0.0026912700000000, -0.0014028100000000 ] - [ 0.0000729600000000, -0.0000370400000000, -0.0001687900000000 ] - [ 0.0000136800000000, 0.0000107500000000, -0.0001550200000000 ] - [ -0.1476603400000000, 0.1068359900000000, -0.0441481500000000 ] - [ -0.0009303000000000, 0.0016424300000000, 0.0007583400000000 ] - [ -0.0001934600000000, 0.0000862900000000, -0.0000613900000000 ] - [ -0.0000674200000000, -0.0000038100000000, -0.0001020800000000 ] - [ 0.0001898400000000, -0.0001726200000000, -0.0004823800000000 ] - [ 0.1639611300000000, -0.1477637500000000, 0.0603985900000000 ] - [ 0.0002027800000000, 0.0015424800000000, -0.0005694100000000 ] - [ 0.0000141800000000, -0.0000072900000000, 0.0000504700000000 ] - [ -0.0000314200000000, 0.0000124900000000, 0.0004624400000000 ] - [ 0.0001119700000000, 0.0002213400000000, -0.0003728400000000 ] - [ 0.0000801100000000, -0.0005857000000000, 0.0005500700000000 ] - [ -0.0023882900000000, -0.0004490400000000, -0.0011273000000000 ] - [ -0.0019667700000000, -0.0010238300000000, -0.0018757100000000 ] - [ 0.0116823200000000, 0.0093140700000000, -0.0083334500000000 ] - [ 0.0000006100000000, -0.0000033800000000, 0.0001186300000000 ] - [ -0.0003226700000000, 0.0001516800000000, 0.0000232000000000 ] - [ 0.0006016700000000, -0.0000121100000000, 0.0003103700000000 ] - [ -0.0009740100000000, -0.0000061400000000, -0.0004135000000000 ] - [ -0.0000813500000000, -0.0000008700000000, -0.0002893200000000 ] - [ 0.0000634000000000, -0.0000746200000000, -0.0002282500000000 ] - [ -0.0002782100000000, -0.0000817100000000, -0.0004263200000000 ] - [ -0.0007280000000000, 0.0000849000000000, -0.0003212600000000 ] - [ -0.0313900500000000, 0.0392442900000000, -0.0069031900000000 ] - [ 0.0000991900000000, 0.0002226900000000, -0.0001332700000000 ] - [ 0.0003618300000000, 0.0001593500000000, 0.0001207200000000 ] - [ 0.0001704900000000, -0.0000984100000000, -0.0000463000000000 ] - [ -0.0001397700000000, -0.0013784600000000, 0.0010409700000000 ] - [ 0.0000759100000000, 0.0015374800000000, 0.0003518000000000 ] - [ -0.0000005500000000, 0.0000527600000000, 0.0000775800000000 ] - [ -0.0003599900000000, 0.0010518800000000, 0.0001209100000000 ] - [ 0.0000559400000000, 0.0001449300000000, 0.0003899100000000 ] - [ -0.0001217200000000, 0.0000166100000000, -0.0001680800000000 ] - [ 0.0000761900000000, 0.0002243400000000, 0.0001357500000000 ] - [ -0.0001283600000000, 0.0001942200000000, 0.0009711200000000 ] - [ -0.0012495000000000, -0.0004429300000000, -0.0000792300000000 ] - [ 0.0167065400000000, -0.0114282900000000, 0.0006105100000000 ] - [ -0.0002342600000000, -0.0000082700000000, -0.0002430800000000 ] - [ -0.0001114600000000, -0.0001237900000000, -0.0003348200000000 ] - [ -0.0002204800000000, 0.0000189700000000, -0.0002091900000000 ] - [ 0.0001833800000000, 0.0003104800000000, -0.0002764700000000 ] - [ 0.0002493700000000, 0.0004720400000000, 0.0000639900000000 ] - [ -0.0001263200000000, -0.0002601500000000, 0.0001345800000000 ] - [ -0.0002253100000000, -0.0005152800000000, 0.0007226100000000 ] - [ -0.0004181000000000, 0.0012724200000000, 0.0003225300000000 ] - [ -0.0000600100000000, -0.0000970700000000, 0.0001037900000000 ] - [ -0.0005892900000000, 0.0001557200000000, -0.0005841500000000 ] - [ -0.0001978700000000, 0.0003908900000000, 0.0003198700000000 ] - [ 0.0005600000000000, -0.0003843100000000, 0.0002123300000000 ] - [ 0.0001830500000000, -0.0003230400000000, -0.0002261600000000 ] - [ 0.0001090200000000, -0.0013836500000000, -0.0011129700000000 ] - [ -0.0003269000000000, 0.0006052600000000, 0.0000665500000000 ] - [ -0.0002330000000000, 0.0004432800000000, 0.0002766500000000 ] - [ -0.0000421800000000, 0.0013703900000000, 0.0005953100000000 ] - [ -0.0000090900000000, 0.0000003500000000, 0.0004477400000000 ] - [ -0.0023357300000000, -0.0014131000000000, -0.0021294300000000 ] - [ -0.0000833000000000, 0.0001105200000000, 0.0001007400000000 ] - [ 0.0012916900000000, -0.0003651400000000, 0.0002198500000000 ] - [ 0.0000579700000000, -0.0000565200000000, -0.0002507300000000 ] - [ 0.0000867100000000, 0.0000146000000000, 0.0001044200000000 ] - [ -0.0000278300000000, 0.0000340100000000, -0.0001303100000000 ] - [ 0.0000324000000000, -0.0000067400000000, -0.0006069700000000 ] - [ -0.0002346800000000, -0.0004695400000000, 0.0002856700000000 ] - [ 0.0007140900000000, -0.0000831800000000, 0.0000592500000000 ] - [ 0.0003762600000000, -0.0013352800000000, -0.0004985600000000 ] - [ 0.0000156300000000, -0.0003355400000000, 0.0003144700000000 ] - [ 0.0001651300000000, -0.0000480200000000, 0.0000085600000000 ] - [ 0.0000602400000000, 0.0000690600000000, -0.0002168400000000 ] - [ 0.0001655800000000, -0.0003502900000000, -0.0005932200000000 ] - [ -0.0001368100000000, -0.0000139000000000, -0.0005601400000000 ] - [ 0.0001631300000000, -0.0003139400000000, -0.0001447500000000 ] - [ -0.0006912800000000, 0.0000699300000000, 0.0008286900000000 ] - [ -0.0003258200000000, 0.0000325100000000, -0.0003127600000000 ] - [ 0.0006587500000000, 0.0015005300000000, -0.0004100800000000 ] - [ 0.0000985200000000, -0.0002285900000000, -0.0001353600000000 ] - [ -0.0002101300000000, 0.0001595400000000, -0.0003509100000000 ] - [ -0.0027830200000000, 0.0005255600000000, -0.0005896100000000 ] - [ 0.0001657600000000, -0.0012429000000000, 0.0003998400000000 ] - [ -0.0003477900000000, -0.0003295700000000, -0.0002950000000000 ] - [ -0.0000651800000000, -0.0000660000000000, 0.0001064000000000 ] - [ 0.0005087900000000, -0.0001516500000000, 0.0003022200000000 ] - [ -0.0000446700000000, 0.0000790100000000, 0.0001048200000000 ] - [ -0.0000040800000000, -0.0000530200000000, 0.0000985300000000 ] - [ 0.0010141900000000, -0.0002669700000000, 0.0001541800000000 ] - [ -0.0002529200000000, -0.0000155900000000, -0.0001733100000000 ] - [ -0.0014635200000000, -0.0011852400000000, 0.0022365900000000 ] - [ 0.0000515000000000, -0.0000030600000000, 0.0001144300000000 ] - [ -0.0003262700000000, -0.0001585600000000, 0.0000229900000000 ] - [ -0.0000430500000000, 0.0005164500000000, -0.0006508700000000 ] - [ 0.0000222300000000, -0.0009987300000000, 0.0006911000000000 ] - [ -0.0010783200000000, 0.0046088800000000, -0.0017464100000000 ] - [ -0.0000424000000000, -0.0001343800000000, 0.0000039600000000 ] - [ -0.0000040000000000, 0.0000644800000000, 0.0001187600000000 ] - [ -0.0002286000000000, -0.0000096000000000, 0.0000813500000000 ] - [ -0.0005074900000000, 0.0030762700000000, 0.0024765300000000 ] - [ 0.0000393600000000, -0.0000360600000000, 0.0001357300000000 ] - [ -0.0019495400000000, -0.0001447200000000, -0.0010666400000000 ] - [ 0.0001270800000000, 0.0001873600000000, 0.0001184300000000 ] - [ 0.0001804200000000, -0.0002179800000000, 0.0000925500000000 ] - [ 0.0001554600000000, -0.0002134400000000, -0.0004045600000000 ] - [ -0.0026686300000000, -0.0002233300000000, 0.0009668700000000 ] - [ 0.0003063000000000, 0.0000649300000000, 0.0001480700000000 ] - [ -0.0004134900000000, 0.0000031200000000, 0.0001064000000000 ] - [ 0.0001123600000000, -0.0001712400000000, 0.0001164900000000 ] - [ 0.0001486000000000, 0.0004322500000000, -0.0010901800000000 ] - [ 0.0001138000000000, -0.0000207700000000, 0.0001291200000000 ] - [ -0.0000599100000000, -0.0000596200000000, -0.0002381200000000 ] - [ -0.0000777100000000, 0.0001634300000000, -0.0000026400000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000512000000000, 0.0000876500000000, -0.0000431600000000 ] - [ 0.0012805300000000, -0.0022179500000000, -0.0026133100000000 ] - [ -0.0002392000000000, 0.0004143100000000, -0.0004482600000000 ] - [ -0.0001644300000000, -0.0002459600000000, 0.0004024500000000 ] - [ -0.0000874600000000, 0.0001514900000000, -0.0007470800000000 ] - [ 0.0000946500000000, -0.0003328500000000, -0.0001334500000000 ] - [ 0.0003118900000000, 0.0003593900000000, -0.0006804800000000 ] - [ -0.0000804400000000, -0.0001911500000000, -0.0007884100000000 ] - [ -0.0000880900000000, 0.0001525800000000, -0.0003292100000000 ] - [ -0.0002822500000000, -0.0000681500000000, -0.0003578500000000 ] - [ -0.0001991400000000, 0.0002317400000000, 0.0003879000000000 ] - [ -0.0000817100000000, -0.0002285900000000, -0.0004832100000000 ] - [ -0.0000427900000000, -0.0001703000000000, -0.0000818700000000 ] - [ -0.0000301000000000, -0.0000858100000000, -0.0001476000000000 ] - [ 0.0002388200000000, -0.0000435300000000, -0.0004832100000000 ] - [ 0.0016761400000000, 0.0023266000000000, -0.0007498600000000 ] - [ -0.0028529600000000, -0.0002882800000000, -0.0007498600000000 ] - [ 0.0004617700000000, -0.0000488700000000, 0.0003443800000000 ] - [ 0.0002988700000000, 0.0000742800000000, 0.0012772300000000 ] - [ -0.0002286900000000, 0.0000658900000000, -0.0000747400000000 ] - [ 0.0002409300000000, -0.0002483900000000, -0.0001334500000000 ] - [ 0.0003023600000000, 0.0005448300000000, 0.0008723100000000 ] - [ 0.0000731900000000, -0.0000959500000000, -0.0000474200000000 ] - [ 0.0004931000000000, 0.0000173000000000, -0.0004313800000000 ] - [ -0.0001009400000000, -0.0000157100000000, 0.0010600600000000 ] - [ -0.0001896300000000, 0.0007327500000000, -0.0003475400000000 ] - [ 0.0005112900000000, -0.0008855800000000, 0.0069915300000000 ] - [ -0.0000570500000000, -0.0000714600000000, -0.0001709600000000 ] - [ 0.0000529900000000, 0.0001034400000000, -0.0000380500000000 ] - [ -0.0000309000000000, 0.0000816500000000, -0.0001536300000000 ] - [ 0.0002723300000000, -0.0000281500000000, -0.0002634700000000 ] - [ 0.0002057600000000, -0.0000259100000000, -0.0007884100000000 ] - [ 0.0000904100000000, 0.0000136800000000, -0.0001709600000000 ] - [ 0.0000893600000000, -0.0000168400000000, -0.0001476000000000 ] - [ 0.0002082000000000, 0.0000649700000000, -0.0004603300000000 ] - [ -0.0001885600000000, -0.0004243400000000, 0.0003443800000000 ] - [ -0.0003142600000000, 0.0005443200000000, -0.0002388800000000 ] - [ -0.0000972600000000, 0.0002158100000000, -0.0004984800000000 ] - [ -0.0001117900000000, -0.0002499200000000, -0.0002634700000000 ] - [ -0.0000819300000000, -0.0001375500000000, -0.0003147100000000 ] - [ -0.0005397700000000, 0.0005306000000000, -0.0003475400000000 ] - [ 0.0002952200000000, 0.0000194200000000, 0.0004024500000000 ] - [ 0.0000394600000000, -0.0016216200000000, 0.0001044800000000 ] - [ 0.0002001400000000, 0.0002103600000000, -0.0003578500000000 ] - [ -0.0020068400000000, 0.0003802200000000, 0.0036344900000000 ] - [ 0.0000465000000000, -0.0001113600000000, -0.0000474200000000 ] - [ 0.0000572900000000, 0.0002310000000000, -0.0000747400000000 ] - [ -0.0006230200000000, 0.0000105600000000, 0.0008723100000000 ] - [ -0.0002137600000000, -0.0002216900000000, 0.0012772300000000 ] - [ 0.0013846300000000, -0.0008449900000000, 0.0001044800000000 ] - [ -0.0000552600000000, 0.0000675800000000, -0.0001536300000000 ] - [ -0.0001015100000000, -0.0000005200000000, -0.0000431600000000 ] - [ -0.0001011300000000, 0.0002883300000000, 0.0003879000000000 ] - [ -0.0001382600000000, 0.0001921400000000, -0.0004984800000000 ] - [ -0.0002615300000000, -0.0004183900000000, -0.0004313800000000 ] - [ 0.0006741400000000, 0.0019280900000000, 0.0036344900000000 ] - [ -0.0004671900000000, -0.0000904100000000, -0.0006804800000000 ] - [ -0.0001160800000000, 0.0000058200000000, -0.0000380500000000 ] - [ 0.0000640800000000, 0.0000795600000000, 0.0010600600000000 ] - [ -0.0002210600000000, 0.0003828900000000, 0.0013781600000000 ] - [ 0.0001688800000000, -0.0000481000000000, -0.0000818700000000 ] - [ -0.0001603700000000, -0.0001478200000000, -0.0004603300000000 ] - [ 0.0001600900000000, 0.0000021800000000, -0.0003147100000000 ] - [ 0.0002079600000000, -0.0003601900000000, -0.0007671100000000 ] - [ -0.0009364900000000, 0.0016220600000000, -0.0002951700000000 ] - [ -0.0000078100000000, 0.0003158000000000, -0.0006839900000000 ] - [ -0.0003174500000000, 0.0001723000000000, 0.0010453100000000 ] - [ 0.0040200100000000, 0.0014887600000000, 0.0010999400000000 ] - [ 0.0000095100000000, 0.0003610700000000, 0.0010453100000000 ] - [ 0.0000028700000000, -0.0000049700000000, -0.0011527100000000 ] - [ 0.0001054700000000, -0.0001826800000000, -0.0050415900000000 ] - [ 0.0001130400000000, 0.0000999200000000, -0.0013435200000000 ] - [ -0.0001430600000000, -0.0000479300000000, -0.0013435200000000 ] - [ -0.0032993100000000, -0.0027370500000000, 0.0010999400000000 ] - [ -0.0002695900000000, 0.0001646700000000, -0.0006839900000000 ] - [ 0.0000150800000000, -0.0000261200000000, -0.0015009200000000 ] - [ -0.0004216600000000, -0.0000089300000000, -0.0005953100000000 ] - [ 0.0002185600000000, 0.0003607100000000, -0.0005953100000000 ] - [ -0.0000625700000000, 0.0001083800000000, 0.0014773500000000 ] - [ 0.0019648000000000, 0.0006528400000000, -0.0001566100000000 ] - [ 0.0000015400000000, 0.0000119300000000, -0.0012783500000000 ] - [ -0.0000111100000000, 0.0000046300000000, -0.0012783500000000 ] - [ 0.0433868700000000, -0.0751482700000000, 0.1191269400000000 ] - [ -0.0015477700000000, -0.0013751400000000, -0.0001566100000000 ] - [ -0.0000212600000000, -0.0000058900000000, -0.0001176800000000 ] - [ 0.0000157300000000, 0.0000154700000000, -0.0001176800000000 ] - [ -0.0000935000000000, 0.0001619500000000, 0.0019421300000000 ] - [ -0.0588819900000000, 0.1019866000000000, -0.1239359700000000 ] - [ 0.0008337300000000, -0.0008409100000000, 0.0003197300000000 ] - [ 0.0005752000000000, -0.0000003900000000, 0.0005631200000000 ] - [ -0.0000025000000000, -0.0000025400000000, 0.0011490200000000 ] - [ 0.0000460700000000, -0.0002067900000000, -0.0000271800000000 ] - [ -0.0009193500000000, -0.0006481800000000, -0.0000658500000000 ] - [ 0.0010210200000000, 0.0004720900000000, -0.0000658500000000 ] - [ 0.0026134000000000, 0.0013504300000000, 0.0000325100000000 ] - [ 0.0217355100000000, -0.0376470100000000, 0.0237756900000000 ] - [ 0.0000568800000000, 0.0000084500000000, 0.0009665300000000 ] - [ -0.0001137200000000, 0.0002744200000000, 0.0005149100000000 ] - [ 0.0006943500000000, 0.0000021200000000, 0.0009776300000000 ] - [ -0.0010490000000000, -0.0000895500000000, -0.0010749100000000 ] - [ 0.0001103500000000, -0.0001744600000000, -0.0001629400000000 ] - [ -0.0001876900000000, -0.0003102300000000, 0.0004321500000000 ] - [ -0.0000628700000000, -0.0000236000000000, -0.0000887300000000 ] - [ 0.0006020500000000, 0.0008636800000000, -0.0010749100000000 ] - [ -0.0066111500000000, 0.0042195600000000, -0.0167664300000000 ] - [ 0.0000192600000000, 0.0001294200000000, 0.0002651500000000 ] - [ 0.0002814300000000, -0.0000355300000000, 0.0005157700000000 ] - [ -0.0006647600000000, 0.0011513900000000, 0.0014588200000000 ] - [ -0.0010733300000000, -0.0006481500000000, -0.0013378700000000 ] - [ 0.0000038600000000, 0.0002266500000000, -0.0006741500000000 ] - [ -0.0000177500000000, 0.0000307400000000, 0.0010416400000000 ] - [ 0.0004904400000000, -0.0008494600000000, -0.0005025900000000 ] - [ -0.0001825900000000, 0.0003162600000000, 0.0005732900000000 ] - [ 0.0000552500000000, -0.0000257300000000, 0.0005356200000000 ] - [ -0.0001807900000000, 0.0002357000000000, 0.0005149100000000 ] - [ 0.0000438500000000, -0.0001329400000000, -0.0002030500000000 ] - [ -0.0011402900000000, -0.0001050000000000, -0.0005949800000000 ] - [ -0.0003486700000000, 0.0078352000000000, -0.0167664300000000 ] - [ -0.0000325000000000, 0.0000073800000000, 0.0001713500000000 ] - [ 0.0000959100000000, -0.0001828000000000, -0.0001629400000000 ] - [ -0.0000636200000000, -0.0000629500000000, 0.0003660600000000 ] - [ 0.0000863300000000, 0.0000236200000000, 0.0003660600000000 ] - [ -0.0001982200000000, 0.0001099800000000, -0.0006741500000000 ] - [ -0.0002872600000000, -0.0004983300000000, 0.0005631200000000 ] - [ -0.0002859800000000, -0.0001177700000000, -0.0000011400000000 ] - [ 0.0003852600000000, -0.0006672800000000, -0.0003567300000000 ] - [ 0.0000118500000000, 0.0000177900000000, 0.0005116400000000 ] - [ 0.0001560500000000, -0.0001432900000000, -0.0000271800000000 ] - [ -0.0003001100000000, 0.0005198100000000, 0.0006086800000000 ] - [ 0.0007785500000000, 0.0012122800000000, 0.0005330800000000 ] - [ 0.0000699400000000, -0.0000390900000000, 0.0002907200000000 ] - [ 0.0006234500000000, 0.0006782800000000, -0.0004030000000000 ] - [ 0.0003113900000000, -0.0011424800000000, 0.0003197300000000 ] - [ -0.0003517000000000, 0.0006091700000000, 0.0009718200000000 ] - [ 0.0000320000000000, -0.0000554300000000, -0.0012165000000000 ] - [ 0.0000034500000000, 0.0000008900000000, 0.0011490200000000 ] - [ 0.0010979800000000, 0.0006054600000000, -0.0013378700000000 ] - [ 0.0000136900000000, -0.0000207800000000, 0.0005153800000000 ] - [ -0.0024762100000000, -0.0015880500000000, 0.0000325100000000 ] - [ 0.0000530000000000, -0.0000918000000000, 0.0002023800000000 ] - [ -0.0000119000000000, -0.0000049700000000, 0.0005104100000000 ] - [ -0.0000053400000000, -0.0000607100000000, 0.0005356200000000 ] - [ -0.0000056100000000, 0.0000097100000000, 0.0006169100000000 ] - [ -0.0003490100000000, -0.0006002600000000, 0.0009776300000000 ] - [ 0.0006906300000000, 0.0001034700000000, 0.0011743300000000 ] - [ 0.0008366100000000, 0.0006287200000000, 0.0002152800000000 ] - [ -0.0001967100000000, -0.0002610900000000, 0.0005598000000000 ] - [ -0.0004349300000000, -0.0005463700000000, 0.0011743300000000 ] - [ 0.0000098600000000, 0.0000318300000000, 0.0001713500000000 ] - [ 0.0002449800000000, 0.0001887900000000, -0.0000011400000000 ] - [ 0.0003625200000000, 0.0000074300000000, 0.0004321500000000 ] - [ 0.0006610700000000, 0.0009350200000000, -0.0005949800000000 ] - [ 0.0000932000000000, -0.0001044500000000, -0.0002030500000000 ] - [ 0.0006555300000000, -0.0009961400000000, -0.0010846600000000 ] - [ 0.0004361400000000, 0.0006267300000000, -0.0012004500000000 ] - [ -0.0000011200000000, -0.0000801200000000, 0.0002907200000000 ] - [ 0.0000518700000000, 0.0000426500000000, -0.0000887300000000 ] - [ -0.0007608300000000, -0.0000643400000000, -0.0012004500000000 ] - [ -0.0008991300000000, -0.0002007800000000, -0.0004030000000000 ] - [ 0.0005349100000000, -0.0010657800000000, -0.0010846600000000 ] - [ 0.0000102500000000, 0.0000078200000000, 0.0005104100000000 ] - [ 0.0003244600000000, 0.0000398100000000, 0.0005598000000000 ] - [ 0.0000111500000000, -0.0000222500000000, 0.0005153800000000 ] - [ -0.0000357600000000, -0.0000450300000000, 0.0009665300000000 ] - [ -0.0006248300000000, 0.0010822400000000, 0.0038647500000000 ] - [ -0.0001217100000000, 0.0000480300000000, 0.0002651500000000 ] - [ -0.0014391400000000, -0.0000681000000000, 0.0005330800000000 ] - [ -0.0000213300000000, -0.0000013700000000, 0.0005116400000000 ] - [ -0.0001099500000000, -0.0002614900000000, 0.0005157700000000 ] - [ 0.0001260900000000, -0.0002183900000000, 0.0000052800000000 ] - [ -0.0009627900000000, -0.0004101600000000, 0.0002152800000000 ] - [ 0.0019623200000000, -0.0033988300000000, -0.0004970100000000 ] - [ -0.0000251200000000, -0.0000484700000000, 0.0004601200000000 ] - [ -0.0000422900000000, 0.0000732500000000, 0.0003098000000000 ] - [ -0.0002231800000000, 0.0000103400000000, 0.0005511600000000 ] - [ -0.0012350400000000, 0.0021391500000000, -0.0005259700000000 ] - [ -0.0001237900000000, -0.0001184200000000, 0.0004831500000000 ] - [ 0.0003946300000000, 0.0000229900000000, -0.0007134300000000 ] - [ 0.0001026300000000, 0.0001984500000000, 0.0005511600000000 ] - [ -0.0001660000000000, 0.0000094100000000, -0.0005467600000000 ] - [ -0.0000141300000000, 0.0002151000000000, -0.0002940800000000 ] - [ 0.0000748500000000, 0.0001484600000000, -0.0005467600000000 ] - [ -0.0002172200000000, -0.0003302700000000, -0.0007134300000000 ] - [ -0.0001792100000000, 0.0001197800000000, -0.0002940800000000 ] - [ 0.0001157800000000, -0.0002005400000000, 0.0005247100000000 ] - [ 0.0004309300000000, -0.0007464000000000, 0.0005162900000000 ] - [ 0.0000545400000000, -0.0000024800000000, 0.0004601200000000 ] - [ 0.0001644500000000, 0.0000480000000000, 0.0004831500000000 ] - [ -0.0000315500000000, 0.0000546500000000, 0.0004598200000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000002300000000, 0.0003294000000000, 0.0004626800000000 ] - [ -0.0014140700000000, 0.0024492500000000, 0.0029649300000000 ] - [ 0.0001836600000000, -0.0003181000000000, 0.0007208600000000 ] - [ 0.0001899900000000, -0.0000435400000000, -0.0001504300000000 ] - [ -0.0001651800000000, 0.0002861000000000, 0.0003058500000000 ] - [ -0.0003125600000000, -0.0000597900000000, 0.0001257700000000 ] - [ 0.0001368500000000, -0.0003521000000000, 0.0006662700000000 ] - [ -0.0001773200000000, -0.0002486200000000, 0.0003482500000000 ] - [ -0.0000511400000000, 0.0000885700000000, 0.0004393100000000 ] - [ 0.0000476700000000, 0.0004542800000000, 0.0003453000000000 ] - [ 0.0002231100000000, 0.0000652300000000, -0.0001390600000000 ] - [ -0.0000483800000000, -0.0002009600000000, 0.0002328900000000 ] - [ -0.0001465300000000, -0.0002534500000000, -0.0005094000000000 ] - [ 0.0000608000000000, -0.0000782200000000, 0.0006441400000000 ] - [ 0.0001982300000000, -0.0000585800000000, 0.0002328900000000 ] - [ -0.0018158300000000, -0.0025486000000000, 0.0010907800000000 ] - [ 0.0031150700000000, 0.0002982500000000, 0.0010907800000000 ] - [ -0.0002208400000000, 0.0002037800000000, -0.0000911100000000 ] - [ -0.0003076200000000, 0.0002136300000000, -0.0011552900000000 ] - [ 0.0000389900000000, 0.0003679500000000, -0.0005161700000000 ] - [ 0.0002080600000000, 0.0002407900000000, 0.0001257700000000 ] - [ -0.0000384200000000, -0.0003971200000000, -0.0007609700000000 ] - [ -0.0000207900000000, -0.0003277100000000, 0.0004656800000000 ] - [ -0.0003748800000000, -0.0000138600000000, 0.0007004700000000 ] - [ 0.0003704200000000, 0.0000193100000000, -0.0004593600000000 ] - [ -0.0000768000000000, -0.0011063800000000, -0.0002489100000000 ] - [ -0.0005111300000000, 0.0008853000000000, -0.0067813000000000 ] - [ -0.0000934000000000, 0.0000135000000000, 0.0006682700000000 ] - [ 0.0002862900000000, 0.0001561400000000, 0.0004574100000000 ] - [ 0.0000547300000000, 0.0000823500000000, 0.0006485900000000 ] - [ 0.0004775100000000, 0.0000219500000000, 0.0003024900000000 ] - [ 0.0003039700000000, 0.0000292500000000, 0.0003482500000000 ] - [ 0.0000350100000000, 0.0000876400000000, 0.0006682700000000 ] - [ 0.0000373400000000, -0.0000917700000000, 0.0006441400000000 ] - [ 0.0002312600000000, 0.0000360400000000, 0.0002098100000000 ] - [ -0.0000660600000000, 0.0002931400000000, -0.0000911100000000 ] - [ -0.0000612300000000, 0.0001060600000000, 0.0002802100000000 ] - [ -0.0000275500000000, 0.0002101900000000, 0.0002438500000000 ] - [ -0.0002577600000000, -0.0004025600000000, 0.0003024900000000 ] - [ -0.0000587100000000, -0.0000941300000000, 0.0004283100000000 ] - [ 0.0009965500000000, -0.0004866800000000, -0.0002489100000000 ] - [ -0.0000572900000000, -0.0001863100000000, -0.0001504300000000 ] - [ -0.0001516100000000, 0.0014109200000000, -0.0004237500000000 ] - [ -0.0004172500000000, 0.0001858600000000, 0.0003453000000000 ] - [ 0.0019512200000000, -0.0006757300000000, -0.0034747400000000 ] - [ 0.0002942000000000, -0.0001458500000000, 0.0004656800000000 ] - [ -0.0003381500000000, 0.0001502100000000, -0.0005161700000000 ] - [ 0.0003631200000000, -0.0001652900000000, -0.0007609700000000 ] - [ -0.0000312000000000, 0.0003732200000000, -0.0011552900000000 ] - [ -0.0011460900000000, 0.0008367600000000, -0.0004237500000000 ] - [ -0.0000986800000000, -0.0000062300000000, 0.0006485900000000 ] - [ -0.0002853800000000, 0.0001645000000000, 0.0004626800000000 ] - [ -0.0001680400000000, -0.0001606000000000, -0.0001390600000000 ] - [ -0.0001682500000000, 0.0001289600000000, 0.0002438500000000 ] - [ 0.0001994400000000, 0.0003177300000000, 0.0007004700000000 ] - [ -0.0003904100000000, -0.0020276700000000, -0.0034747400000000 ] - [ 0.0002365000000000, -0.0002945700000000, 0.0006662700000000 ] - [ -0.0002783700000000, -0.0001698700000000, 0.0004574100000000 ] - [ -0.0002019300000000, -0.0003111400000000, -0.0004593600000000 ] - [ 0.0000801300000000, -0.0001388000000000, -0.0007758900000000 ] - [ 0.0002927600000000, 0.0000001800000000, -0.0005094000000000 ] - [ -0.0001468400000000, -0.0001822600000000, 0.0002098100000000 ] - [ 0.0001108700000000, 0.0000037800000000, 0.0004283100000000 ] - [ -0.0001556100000000, 0.0002695200000000, 0.0013541400000000 ] - [ 0.0008692000000000, -0.0015055100000000, 0.0005226700000000 ] - [ 0.0000114600000000, -0.0003095800000000, 0.0008487400000000 ] - [ 0.0003078100000000, -0.0001685900000000, -0.0020334700000000 ] - [ -0.0036986400000000, -0.0009917000000000, -0.0011935700000000 ] - [ -0.0000079000000000, -0.0003508600000000, -0.0020334700000000 ] - [ -0.0000027400000000, 0.0000047400000000, 0.0020509900000000 ] - [ -0.0001043200000000, 0.0001806800000000, 0.0043372300000000 ] - [ 0.0001237300000000, 0.0003075600000000, 0.0008770500000000 ] - [ -0.0003282200000000, 0.0000466300000000, 0.0008770500000000 ] - [ 0.0027081500000000, 0.0027072700000000, -0.0011935700000000 ] - [ 0.0002623700000000, -0.0001647200000000, 0.0008487400000000 ] - [ 0.0002165100000000, -0.0003750000000000, 0.0010286000000000 ] - [ 0.0003123800000000, 0.0000079500000000, 0.0011819600000000 ] - [ -0.0001630700000000, -0.0002665500000000, 0.0011819600000000 ] - [ 0.0003358600000000, -0.0005817200000000, -0.0015626500000000 ] - [ -0.0018324300000000, -0.0006598000000000, 0.0003873700000000 ] - [ 0.0000061300000000, -0.0000075500000000, 0.0006882400000000 ] - [ 0.0000034800000000, -0.0000090800000000, 0.0006882400000000 ] - [ -0.0441402100000000, 0.0764530900000000, -0.1179738500000000 ] - [ 0.0014876100000000, 0.0012570300000000, 0.0003873700000000 ] - [ 0.0000224600000000, 0.0000043200000000, -0.0001215800000000 ] - [ -0.0000149700000000, -0.0000172900000000, -0.0001215800000000 ] - [ 0.0000930300000000, -0.0001611300000000, -0.0016172800000000 ] - [ 0.0598772800000000, -0.1037104900000000, 0.1237981200000000 ] - [ -0.0004147000000000, 0.0010095100000000, 0.0002522100000000 ] - [ 0.0000590300000000, -0.0000017100000000, -0.0001525700000000 ] - [ 0.0000028200000000, 0.0000018800000000, -0.0001105600000000 ] - [ 0.0001494900000000, 0.0004750800000000, -0.0006233800000000 ] - [ 0.0010588900000000, 0.0009078800000000, -0.0000392800000000 ] - [ -0.0013157000000000, -0.0004630900000000, -0.0000392800000000 ] - [ -0.0023266900000000, -0.0011894600000000, -0.0005375500000000 ] - [ -0.0222120700000000, 0.0384724300000000, -0.0253746200000000 ] - [ 0.0000320000000000, -0.0000105000000000, -0.0005241800000000 ] - [ -0.0003824100000000, 0.0001075900000000, -0.0001564300000000 ] - [ 0.0004140200000000, 0.0000006700000000, -0.0001903200000000 ] - [ -0.0006148000000000, 0.0000357900000000, 0.0001227400000000 ] - [ 0.0000884200000000, -0.0001004000000000, -0.0004901600000000 ] - [ 0.0000998700000000, 0.0001512600000000, -0.0006290600000000 ] - [ -0.0002760800000000, 0.0000574500000000, -0.0005646500000000 ] - [ 0.0002764100000000, 0.0005503300000000, 0.0001227400000000 ] - [ 0.0065139400000000, -0.0043974700000000, 0.0170819800000000 ] - [ 0.0002649700000000, 0.0003287100000000, -0.0005067700000000 ] - [ 0.0002895200000000, 0.0002776600000000, -0.0001573600000000 ] - [ 0.0005372300000000, -0.0009305000000000, -0.0014424600000000 ] - [ 0.0009281900000000, 0.0004189900000000, 0.0009627500000000 ] - [ -0.0000084000000000, 0.0000717500000000, 0.0001560500000000 ] - [ -0.0000249900000000, 0.0000432900000000, -0.0005984500000000 ] - [ -0.0002658200000000, 0.0004604100000000, 0.0001869000000000 ] - [ 0.0000942400000000, -0.0001632300000000, -0.0007715300000000 ] - [ -0.0000552800000000, 0.0000269400000000, -0.0005686200000000 ] - [ 0.0000980300000000, 0.0003849700000000, -0.0001564300000000 ] - [ -0.0000425900000000, 0.0001279700000000, 0.0018249600000000 ] - [ 0.0006946200000000, 0.0001082300000000, 0.0002791700000000 ] - [ 0.0005513600000000, -0.0078399700000000, 0.0170819800000000 ] - [ -0.0001749400000000, -0.0000114900000000, -0.0004975900000000 ] - [ 0.0000427400000000, -0.0001267700000000, -0.0004901600000000 ] - [ -0.0004615700000000, 0.0000752900000000, -0.0006044000000000 ] - [ 0.0001655800000000, 0.0004373700000000, -0.0006044000000000 ] - [ -0.0000579400000000, 0.0000431500000000, 0.0001560500000000 ] - [ -0.0000280400000000, -0.0000519800000000, -0.0001525700000000 ] - [ 0.0004100500000000, 0.0001221600000000, -0.0005088800000000 ] - [ -0.0002279100000000, 0.0003947500000000, 0.0002475300000000 ] - [ -0.0000896300000000, -0.0001620800000000, -0.0002028500000000 ] - [ -0.0004861700000000, 0.0001080800000000, -0.0006233800000000 ] - [ -0.0000154300000000, 0.0000267200000000, -0.0001996600000000 ] - [ -0.0011488800000000, -0.0009295100000000, 0.0000349100000000 ] - [ 0.0001862600000000, -0.0004341800000000, -0.0005314500000000 ] - [ -0.0003569600000000, -0.0008130700000000, -0.0001104300000000 ] - [ -0.0006669100000000, 0.0008639000000000, 0.0002522100000000 ] - [ -0.0002040500000000, 0.0003534300000000, -0.0001842000000000 ] - [ -0.0001611200000000, 0.0002790600000000, 0.0008440200000000 ] - [ -0.0000030400000000, -0.0000015000000000, -0.0001105600000000 ] - [ -0.0008269500000000, -0.0005943400000000, 0.0009627500000000 ] - [ -0.0000956100000000, 0.0001695800000000, -0.0002085000000000 ] - [ 0.0021934500000000, 0.0014202500000000, -0.0005375500000000 ] - [ 0.0000548300000000, -0.0000949600000000, -0.0005296400000000 ] - [ 0.0001858000000000, 0.0000085000000000, -0.0002044600000000 ] - [ 0.0000043100000000, 0.0000613500000000, -0.0005686200000000 ] - [ 0.0000044700000000, -0.0000077300000000, -0.0014910100000000 ] - [ -0.0002075900000000, -0.0003582100000000, -0.0001903200000000 ] - [ -0.0004459000000000, -0.0001024800000000, -0.0011620200000000 ] - [ -0.0004176700000000, -0.0007978800000000, 0.0003558300000000 ] - [ 0.0001143000000000, -0.0003644200000000, -0.0002023400000000 ] - [ 0.0003116900000000, 0.0003349200000000, -0.0011620200000000 ] - [ 0.0000974200000000, 0.0001457600000000, -0.0004975900000000 ] - [ -0.0003108200000000, -0.0002940300000000, -0.0005088800000000 ] - [ -0.0001809300000000, -0.0000108600000000, -0.0006290600000000 ] - [ -0.0004410400000000, -0.0005474500000000, 0.0002791700000000 ] - [ -0.0000895300000000, 0.0001008700000000, 0.0018249600000000 ] - [ 0.0002216900000000, -0.0004254500000000, 0.0001324300000000 ] - [ 0.0003518800000000, 0.0008270800000000, 0.0002480800000000 ] - [ 0.0002828800000000, -0.0003784000000000, -0.0005314500000000 ] - [ 0.0000882800000000, 0.0002678200000000, -0.0005646500000000 ] - [ -0.0008922100000000, 0.0001088000000000, 0.0002480800000000 ] - [ 0.0008826200000000, -0.0000974000000000, -0.0001104300000000 ] - [ 0.0002576100000000, -0.0004047200000000, 0.0001324300000000 ] - [ -0.0001002600000000, -0.0001566600000000, -0.0002044600000000 ] - [ 0.0002584500000000, -0.0002812000000000, -0.0002023400000000 ] - [ -0.0000990600000000, 0.0001675900000000, -0.0002085000000000 ] - [ -0.0000069000000000, -0.0000329600000000, -0.0005241800000000 ] - [ 0.0006171400000000, -0.0010689100000000, -0.0039166300000000 ] - [ -0.0004171600000000, -0.0000651200000000, -0.0005067700000000 ] - [ 0.0013794200000000, 0.0005302000000000, 0.0000349100000000 ] - [ 0.0001851800000000, -0.0000034200000000, -0.0002028500000000 ] - [ -0.0003852200000000, -0.0001119100000000, -0.0001573600000000 ] - [ -0.0001901400000000, 0.0003293300000000, -0.0005131800000000 ] - [ 0.0008998200000000, -0.0000372300000000, 0.0003558300000000 ] - [ -0.0018966500000000, 0.0032850900000000, 0.0004579200000000 ] - [ -0.0000928100000000, -0.0001530000000000, -0.0002880100000000 ] - [ 0.0000504300000000, -0.0000873400000000, -0.0001502100000000 ] - [ -0.0002445900000000, -0.0000072500000000, -0.0002191600000000 ] - [ 0.0012659200000000, -0.0021926400000000, 0.0005834000000000 ] - [ 0.0001309700000000, 0.0001205700000000, -0.0003221500000000 ] - [ -0.0004348100000000, -0.0000219300000000, 0.0007826400000000 ] - [ 0.0001285700000000, 0.0002082000000000, -0.0002191600000000 ] - [ 0.0002016200000000, 0.0000534400000000, 0.0004907900000000 ] - [ 0.0000198500000000, -0.0001940900000000, -0.0004240400000000 ] - [ -0.0001470900000000, -0.0001478800000000, 0.0004907900000000 ] - [ 0.0002364000000000, 0.0003655900000000, 0.0007826400000000 ] - [ 0.0001581600000000, -0.0001142300000000, -0.0004240400000000 ] - [ 0.0001159400000000, -0.0002008100000000, -0.0001926900000000 ] - [ -0.0004216300000000, 0.0007302900000000, -0.0012267600000000 ] - [ 0.0001789000000000, 0.0000038800000000, -0.0002880100000000 ] - [ -0.0001699100000000, -0.0000531400000000, -0.0003221500000000 ] - [ -0.0000867600000000, 0.0001502700000000, -0.0002884800000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002934700000000, 0.0005693200000000, -0.0001838500000000 ] - [ -0.0001828100000000, 0.0004302900000000, 0.0000765000000000 ] - [ 0.0002621000000000, 0.0008771000000000, 0.0010974900000000 ] - [ -0.0004921500000000, -0.0014436700000000, -0.0001491000000000 ] - [ -0.0000916400000000, 0.0002344400000000, -0.0001511800000000 ] - [ -0.0000512500000000, -0.0001826000000000, 0.0000701400000000 ] - [ 0.0002279900000000, 0.0000430100000000, 0.0000541800000000 ] - [ -0.0001035100000000, -0.0002092500000000, -0.0001738500000000 ] - [ 0.0000651700000000, 0.0000929900000000, 0.0002451200000000 ] - [ -0.0001748700000000, 0.0001961800000000, 0.0000464400000000 ] - [ 0.0075594500000000, 0.0014236400000000, 0.0010205900000000 ] - [ -0.0001137100000000, -0.0002366300000000, -0.0000973900000000 ] - [ -0.0001921600000000, -0.0004433600000000, -0.0002003500000000 ] - [ 0.0002117600000000, 0.0001023900000000, 0.0002290500000000 ] - [ 0.0001933600000000, -0.0000800800000000, -0.0000744000000000 ] - [ -0.0028755900000000, 0.0022814500000000, 0.0006708800000000 ] - [ 0.0034936100000000, -0.0023716600000000, -0.0005067300000000 ] - [ 0.0005501300000000, -0.0004119600000000, -0.0001246000000000 ] - [ -0.0008833200000000, 0.0003447400000000, -0.0002336800000000 ] - [ -0.0000334700000000, 0.0000842400000000, 0.0002361400000000 ] - [ 0.0002482200000000, -0.0000004400000000, 0.0000170800000000 ] - [ -0.0006372500000000, 0.0000735700000000, -0.0032793400000000 ] - [ -0.0002439300000000, -0.0010655800000000, 0.0013777300000000 ] - [ -0.0002225500000000, 0.0001092700000000, 0.0002047400000000 ] - [ -0.0006446400000000, -0.0008313600000000, 0.0008552100000000 ] - [ 0.0000127400000000, 0.0000581000000000, -0.0000364600000000 ] - [ -0.0000868600000000, 0.0002091100000000, -0.0002443500000000 ] - [ -0.0001037000000000, -0.0000609500000000, 0.0003116800000000 ] - [ -0.0000840600000000, -0.0002565400000000, 0.0003241100000000 ] - [ 0.0000601400000000, -0.0000217400000000, 0.0001417400000000 ] - [ 0.0003555000000000, -0.0000504900000000, 0.0001021300000000 ] - [ 0.0002270400000000, 0.0000099300000000, -0.0001662800000000 ] - [ 0.0000980100000000, 0.0000996900000000, 0.0002919200000000 ] - [ 0.0000511600000000, -0.0000293300000000, 0.0005439400000000 ] - [ 0.0002789300000000, 0.0000724900000000, -0.0000820900000000 ] - [ 0.0000363700000000, 0.0015466700000000, -0.0001687800000000 ] - [ -0.0001486200000000, 0.0003429400000000, 0.0000753000000000 ] - [ -0.0000755700000000, 0.0001828300000000, -0.0000765300000000 ] - [ -0.0002417600000000, -0.0003271900000000, 0.0000627300000000 ] - [ -0.0001827700000000, -0.0001663500000000, 0.0001813000000000 ] - [ 0.0003483300000000, 0.0000150900000000, -0.0003415900000000 ] - [ -0.0013732700000000, -0.0000102800000000, 0.0002338800000000 ] - [ -0.0001110400000000, -0.0000667000000000, -0.0004227400000000 ] - [ -0.0001005500000000, 0.0001727600000000, 0.0000484500000000 ] - [ -0.0000868200000000, -0.0001497800000000, 0.0000275200000000 ] - [ 0.0015587000000000, 0.0006387500000000, -0.0002611000000000 ] - [ -0.0001951500000000, 0.0001594900000000, -0.0005162900000000 ] - [ 0.0022717000000000, -0.0005487100000000, 0.0014812400000000 ] - [ 0.0002235800000000, -0.0005735100000000, 0.0004143300000000 ] - [ 0.0003863400000000, -0.0000309000000000, -0.0000805100000000 ] - [ -0.0002135000000000, 0.0000788500000000, 0.0003682300000000 ] - [ -0.0003107400000000, -0.0003147600000000, 0.0002763200000000 ] - [ -0.0030386800000000, -0.0024590000000000, 0.0004831500000000 ] - [ -0.0001810000000000, 0.0001882100000000, -0.0000959400000000 ] - [ 0.0002887400000000, 0.0000384300000000, 0.0001913500000000 ] - [ 0.0001232800000000, 0.0004330500000000, 0.0000556400000000 ] - [ -0.0001198500000000, -0.0002006500000000, 0.0000444700000000 ] - [ -0.0007647600000000, -0.0002539600000000, -0.0002287100000000 ] - [ -0.0008865800000000, -0.0003074500000000, -0.0000504800000000 ] - [ 0.0007818000000000, 0.0007495400000000, 0.0003939700000000 ] - [ -0.0001523300000000, -0.0000211500000000, -0.0001602100000000 ] - [ -0.0001400100000000, -0.0001748500000000, -0.0000421600000000 ] - [ 0.0000299500000000, -0.0000643200000000, -0.0000827200000000 ] - [ 0.0007262300000000, -0.0005433300000000, 0.0000046900000000 ] - [ 0.1464538100000000, 0.1063024700000000, -0.0434335500000000 ] - [ -0.0000634900000000, 0.0000560400000000, 0.0003660300000000 ] - [ 0.0006391900000000, -0.0028996600000000, -0.0013340500000000 ] - [ -0.0000044200000000, 0.0002024900000000, 0.0000093900000000 ] - [ -0.0037663800000000, 0.0042073600000000, 0.0018230100000000 ] - [ 0.0000882000000000, 0.0002442200000000, 0.0007099100000000 ] - [ 0.0000274000000000, 0.0000284900000000, -0.0003741200000000 ] - [ 0.0000252700000000, 0.0002019500000000, 0.0000588400000000 ] - [ -0.0001949700000000, -0.0000251300000000, -0.0002845400000000 ] - [ -0.0007526800000000, -0.0001317200000000, 0.0001827800000000 ] - [ -0.0000178200000000, -0.0001014100000000, 0.0001792500000000 ] - [ 0.0001597600000000, -0.0001780800000000, -0.0000502000000000 ] - [ 0.0003950300000000, -0.0000351900000000, -0.0041772900000000 ] - [ -0.0014778200000000, 0.0000422500000000, 0.0026327600000000 ] - [ 0.0007307600000000, 0.0000340400000000, -0.0001669500000000 ] - [ -0.0026144500000000, 0.0001007400000000, -0.0003754900000000 ] - [ -0.0001060300000000, -0.0003120100000000, 0.0001493400000000 ] - [ 0.0000227200000000, 0.0001206300000000, -0.0008795900000000 ] - [ 0.0013270400000000, 0.0015181400000000, -0.0021101600000000 ] - [ -0.0004273300000000, -0.0010957100000000, 0.0000203600000000 ] - [ 0.0001245200000000, 0.0011741400000000, -0.0003750800000000 ] - [ 0.0018059000000000, -0.0011188100000000, 0.0011720100000000 ] - [ -0.0000201900000000, -0.0007662500000000, -0.0002157100000000 ] - [ 0.0000730400000000, -0.0007641800000000, 0.0007505800000000 ] - [ -0.1677936900000000, -0.1491873300000000, 0.0591764700000000 ] - [ 0.0007703100000000, 0.0000723300000000, 0.0011536700000000 ] - [ 0.0000737700000000, 0.0002012800000000, 0.0001918800000000 ] - [ 0.0001037900000000, 0.0001215900000000, -0.0004417600000000 ] - [ 0.0002181400000000, 0.0001851100000000, -0.0000651700000000 ] - [ 0.0000987700000000, 0.0001088500000000, -0.0001252100000000 ] - [ 0.0002772600000000, 0.0002224100000000, -0.0003283700000000 ] - [ 0.0000984700000000, -0.0012617300000000, 0.0009623200000000 ] - [ 0.0000166500000000, 0.0000062500000000, 0.0002926400000000 ] - [ -0.0007933400000000, 0.0009122200000000, 0.0012720200000000 ] - [ 0.0005090200000000, -0.0000592200000000, 0.0002723600000000 ] - [ 0.0011275100000000, -0.0007129900000000, -0.0003882600000000 ] - [ 0.0001012800000000, -0.0001042500000000, -0.0003296400000000 ] - [ 0.0012800000000000, -0.0001370700000000, -0.0018005500000000 ] - [ -0.0001277100000000, 0.0000078000000000, -0.0004309500000000 ] - [ 0.0007815600000000, 0.0020501500000000, -0.0006642000000000 ] - [ -0.0014542800000000, -0.0001815600000000, 0.0005714600000000 ] - [ 0.0001008100000000, 0.0002100300000000, -0.0001348300000000 ] - [ 0.0008979500000000, 0.0000978900000000, -0.0004055600000000 ] - [ -0.0000874300000000, 0.0001039100000000, -0.0000071600000000 ] - [ 0.0000371600000000, -0.0001253300000000, -0.0002189400000000 ] - [ -0.0003424100000000, -0.0001494800000000, -0.0002424300000000 ] - [ -0.0000462400000000, 0.0000277100000000, 0.0000966000000000 ] - [ -0.0164766400000000, -0.0117453900000000, 0.0002344100000000 ] - [ -0.0002846200000000, 0.0000950400000000, 0.0000782700000000 ] - [ 0.0000061100000000, 0.0000288200000000, -0.0000986300000000 ] - [ 0.0006497900000000, -0.0002616200000000, -0.0004095300000000 ] - [ 0.0005753800000000, -0.0007990100000000, -0.0006987300000000 ] - [ 0.0017454600000000, 0.0005538500000000, 0.0002536000000000 ] - [ -0.0001044900000000, -0.0007453500000000, 0.0007531600000000 ] - [ -0.0001094500000000, 0.0000155500000000, -0.0001769700000000 ] - [ 0.0000971700000000, -0.0001997400000000, -0.0004632800000000 ] - [ -0.0003107000000000, -0.0000158000000000, -0.0001894600000000 ] - [ 0.0001284000000000, 0.0002366500000000, -0.0001784000000000 ] - [ -0.0005549300000000, 0.0000650800000000, -0.0002808100000000 ] - [ 0.0004916400000000, 0.0002639900000000, -0.0003529000000000 ] - [ 0.0006553700000000, 0.0000769800000000, 0.0000462300000000 ] - [ -0.0001066100000000, -0.0001170000000000, 0.0000174000000000 ] - [ 0.0000326200000000, -0.0000464200000000, 0.0002988900000000 ] - [ -0.0001823400000000, 0.0000027700000000, -0.0003458200000000 ] - [ -0.0007054700000000, 0.0007804200000000, 0.0000916500000000 ] - [ 0.0000129700000000, 0.0000900600000000, 0.0003710700000000 ] - [ 0.0001916900000000, -0.0002865300000000, -0.0002152700000000 ] - [ 0.0003448400000000, -0.0001165600000000, -0.0002978100000000 ] - [ 0.0332373500000000, 0.0405717500000000, -0.0068112600000000 ] - [ -0.0003119500000000, 0.0003071900000000, 0.0002520700000000 ] - [ -0.0009611500000000, -0.0001581400000000, -0.0000147000000000 ] - [ -0.0000010900000000, -0.0000800900000000, 0.0010806400000000 ] - [ 0.0004227900000000, 0.0001247300000000, -0.0003386800000000 ] - [ -0.0000754200000000, 0.0002763400000000, 0.0000281100000000 ] - [ -0.0000682500000000, -0.0001580500000000, -0.0002731700000000 ] - [ 0.0000340600000000, -0.0001184900000000, -0.0002322200000000 ] - [ -0.0000950600000000, -0.0000518200000000, 0.0002855000000000 ] - [ 0.0000154600000000, -0.0000131600000000, -0.0001636800000000 ] - [ -0.0000102200000000, -0.0000454600000000, -0.0005968200000000 ] - [ -0.0003772500000000, -0.0005781000000000, 0.0003643600000000 ] - [ 0.0001278600000000, -0.0000077700000000, -0.0000119500000000 ] - [ -0.0000042300000000, 0.0006240000000000, 0.0004302400000000 ] - [ -0.0000846500000000, -0.0001809200000000, 0.0002124500000000 ] - [ -0.0000878400000000, -0.0001368800000000, -0.0000001300000000 ] - [ 0.0001085900000000, 0.0001343200000000, -0.0002534700000000 ] - [ 0.0000873900000000, 0.0001022700000000, -0.0001331500000000 ] - [ 0.0003339300000000, 0.0017423900000000, 0.0032933500000000 ] - [ 0.0008720500000000, 0.0008182400000000, -0.0002547000000000 ] - [ -0.0001395200000000, 0.0005260400000000, 0.0013318600000000 ] - [ 0.0039194400000000, -0.0026303200000000, -0.0035275200000000 ] - [ 0.0009420900000000, -0.0004376800000000, -0.0009914600000000 ] - [ 0.0001124000000000, -0.0001922500000000, -0.0001218100000000 ] - [ 0.0001029600000000, 0.0002331300000000, -0.0003697000000000 ] - [ -0.0011062900000000, 0.0005521400000000, -0.0003234500000000 ] - [ -0.0000077500000000, -0.0001035600000000, -0.0003025400000000 ] - [ 0.0002513200000000, 0.0012165200000000, 0.0007057800000000 ] - [ -0.0000070500000000, 0.0000446600000000, 0.0000171200000000 ] - [ -0.0000776700000000, -0.0001686300000000, 0.0001926500000000 ] - [ 0.0000383000000000, -0.0000634700000000, 0.0003027500000000 ] - [ 0.0000286900000000, -0.0000381100000000, 0.0000065200000000 ] - [ -0.0000297600000000, -0.0000246100000000, 0.0000151200000000 ] - [ -0.0002668000000000, -0.0000079800000000, -0.0002029000000000 ] - [ 0.0006880600000000, 0.0005816700000000, 0.0002457600000000 ] - [ 0.0002190900000000, 0.0000816500000000, 0.0000318600000000 ] - [ -0.0008741200000000, -0.0007698700000000, 0.0010833600000000 ] - [ -0.0113955900000000, 0.0086031500000000, -0.0078982500000000 ] - [ 0.0010976400000000, -0.0007115600000000, 0.0002148800000000 ] - [ -0.0001116900000000, -0.0002782800000000, -0.0000514400000000 ] - [ -0.0000368700000000, 0.0000071700000000, 0.0001115800000000 ] - [ -0.0000411000000000, -0.0000213400000000, 0.0000206300000000 ] - [ -0.0001802200000000, 0.0000254000000000, 0.0001401500000000 ] - [ -0.0001286900000000, -0.0002532500000000, 0.0001279600000000 ] - [ 0.0000112300000000, -0.0000051000000000, 0.0000305900000000 ] - [ 0.0012420600000000, 0.0054181800000000, -0.0020538300000000 ] - [ 0.0001286000000000, 0.0002011500000000, 0.0001390700000000 ] - [ 0.0004804800000000, 0.0000413400000000, 0.0004302100000000 ] - [ 0.0000616300000000, 0.0000099400000000, -0.0003142300000000 ] - [ -0.0001371700000000, 0.0004697300000000, -0.0007193500000000 ] - [ 0.0028089000000000, -0.0002416700000000, 0.0010738200000000 ] - [ -0.0000538800000000, 0.0000422300000000, -0.0005046100000000 ] - [ 0.0000548400000000, -0.0002256700000000, 0.0000271400000000 ] - [ -0.0000135600000000, -0.0000404400000000, -0.0003996800000000 ] - [ 0.0003525000000000, 0.0000286900000000, 0.0001391000000000 ] - [ 0.0000220200000000, 0.0000107000000000, 0.0000249300000000 ] - [ -0.0003238400000000, -0.0000912200000000, -0.0006438100000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003442000000000, -0.0001538400000000, 0.0006192200000000 ] - [ 0.0000678400000000, -0.0002011800000000, 0.0002609100000000 ] - [ -0.0003091100000000, -0.0007851500000000, -0.0008295600000000 ] - [ 0.0005104100000000, 0.0011735400000000, 0.0003996100000000 ] - [ -0.0001576100000000, 0.0002110300000000, -0.0002937300000000 ] - [ -0.0001705300000000, -0.0002021000000000, -0.0000781600000000 ] - [ 0.0002245100000000, -0.0000384100000000, -0.0000663800000000 ] - [ -0.0001566400000000, -0.0002404500000000, -0.0002676300000000 ] - [ -0.0001929600000000, 0.0001498900000000, -0.0001291700000000 ] - [ -0.0000594900000000, 0.0001939900000000, -0.0000591100000000 ] - [ -0.0081935500000000, -0.0013912000000000, -0.0008797500000000 ] - [ -0.0000253700000000, -0.0002001400000000, -0.0001531300000000 ] - [ -0.0000064100000000, 0.0000390500000000, -0.0003887100000000 ] - [ -0.0001831700000000, -0.0002596100000000, 0.0002728100000000 ] - [ 0.0002378400000000, -0.0000270000000000, -0.0001837400000000 ] - [ 0.0027567800000000, -0.0024730200000000, -0.0003294100000000 ] - [ -0.0032877100000000, 0.0023847000000000, 0.0008504300000000 ] - [ -0.0002978200000000, 0.0005964900000000, 0.0003668300000000 ] - [ 0.0008540700000000, -0.0000447700000000, 0.0003429900000000 ] - [ -0.0001622500000000, 0.0003446100000000, -0.0008275300000000 ] - [ 0.0002067800000000, -0.0000075500000000, -0.0000291400000000 ] - [ 0.0009157100000000, 0.0000537100000000, 0.0033790600000000 ] - [ 0.0003074400000000, 0.0006457700000000, -0.0009638300000000 ] - [ 0.0003395700000000, -0.0001000100000000, 0.0000754200000000 ] - [ 0.0009261200000000, 0.0008438300000000, -0.0002703000000000 ] - [ -0.0002667200000000, -0.0004340300000000, -0.0005518900000000 ] - [ -0.0000218300000000, -0.0000042300000000, -0.0000876300000000 ] - [ -0.0000460700000000, 0.0000107800000000, 0.0001899000000000 ] - [ 0.0004229800000000, 0.0005112800000000, 0.0001075400000000 ] - [ -0.0000439700000000, 0.0001789000000000, 0.0003576300000000 ] - [ 0.0003926800000000, 0.0000388800000000, -0.0000619400000000 ] - [ 0.0002832100000000, -0.0000027000000000, -0.0002783200000000 ] - [ 0.0000282400000000, -0.0000071900000000, 0.0002060500000000 ] - [ 0.0000800500000000, -0.0000779800000000, -0.0000479600000000 ] - [ 0.0001572300000000, 0.0000315800000000, -0.0001771500000000 ] - [ -0.0003074000000000, -0.0016837800000000, 0.0004167400000000 ] - [ -0.0002363100000000, 0.0002995000000000, -0.0000341900000000 ] - [ -0.0000529800000000, 0.0002476800000000, -0.0001827500000000 ] - [ -0.0001357900000000, -0.0003266200000000, -0.0000260200000000 ] - [ 0.0000524000000000, -0.0000604100000000, -0.0000591300000000 ] - [ 0.0001199100000000, 0.0000315500000000, -0.0002459200000000 ] - [ 0.0016081500000000, -0.0001720300000000, 0.0000108100000000 ] - [ 0.0000027900000000, -0.0001216900000000, 0.0000834100000000 ] - [ -0.0001221200000000, 0.0002218700000000, -0.0000606000000000 ] - [ 0.0000553700000000, -0.0001521700000000, 0.0000752300000000 ] - [ -0.0012364100000000, -0.0008956300000000, 0.0006908700000000 ] - [ -0.0000910300000000, 0.0002052000000000, -0.0000713300000000 ] - [ -0.0025265900000000, 0.0003581900000000, -0.0013830400000000 ] - [ -0.0004608800000000, 0.0007514600000000, -0.0003037100000000 ] - [ -0.0001553600000000, 0.0000390000000000, -0.0002529900000000 ] - [ 0.0000564600000000, -0.0000198600000000, 0.0001296400000000 ] - [ -0.0000741200000000, 0.0004877000000000, 0.0001531400000000 ] - [ 0.0027647700000000, 0.0025633600000000, -0.0002327100000000 ] - [ -0.0001277200000000, 0.0001317600000000, -0.0001617000000000 ] - [ -0.0003563200000000, -0.0001508100000000, 0.0000814600000000 ] - [ 0.0001447200000000, -0.0005512400000000, 0.0000544400000000 ] - [ -0.0001027200000000, -0.0001828900000000, -0.0000527800000000 ] - [ 0.0003651700000000, 0.0000864900000000, 0.0006612200000000 ] - [ 0.0007456600000000, 0.0000624800000000, 0.0006311100000000 ] - [ -0.0009229900000000, -0.0005011200000000, 0.0002123200000000 ] - [ 0.0006123800000000, -0.0000449300000000, -0.0004281300000000 ] - [ -0.0001693600000000, -0.0001638700000000, -0.0002089900000000 ] - [ 0.0002441600000000, 0.0000766500000000, 0.0002002600000000 ] - [ -0.0006843400000000, 0.0004628600000000, 0.0005735700000000 ] - [ -0.1456832200000000, -0.1022462300000000, 0.0420269400000000 ] - [ 0.0000692600000000, -0.0000612800000000, -0.0002055000000000 ] - [ -0.0006166800000000, 0.0028916500000000, 0.0003413100000000 ] - [ 0.0002841100000000, 0.0002833800000000, -0.0001111800000000 ] - [ 0.0037773200000000, -0.0042407200000000, -0.0028315700000000 ] - [ -0.0000870000000000, -0.0002454500000000, 0.0001898000000000 ] - [ -0.0000276300000000, -0.0000289200000000, -0.0003026900000000 ] - [ 0.0002121500000000, 0.0002081100000000, -0.0005291200000000 ] - [ -0.0002714400000000, 0.0000245500000000, -0.0001913700000000 ] - [ 0.0001880300000000, 0.0001344800000000, -0.0002848700000000 ] - [ 0.0000102800000000, 0.0001058800000000, -0.0000181600000000 ] - [ 0.0000711300000000, -0.0002242700000000, -0.0004285300000000 ] - [ -0.0005067800000000, 0.0000296200000000, 0.0047931100000000 ] - [ 0.0015517700000000, 0.0000546500000000, -0.0020190000000000 ] - [ -0.0004487000000000, -0.0005268600000000, 0.0000788700000000 ] - [ 0.0027620400000000, -0.0000896600000000, 0.0006149400000000 ] - [ 0.0001236800000000, 0.0003054600000000, -0.0007466400000000 ] - [ -0.0000408000000000, -0.0001126800000000, 0.0002905200000000 ] - [ -0.0013214400000000, -0.0015147000000000, 0.0028189100000000 ] - [ 0.0003520200000000, 0.0009712800000000, 0.0002191600000000 ] - [ -0.0001346500000000, -0.0011805200000000, 0.0001338700000000 ] - [ -0.0018238600000000, 0.0011277900000000, -0.0014242300000000 ] - [ 0.0000190900000000, 0.0007730300000000, 0.0005432400000000 ] - [ 0.0000439200000000, 0.0005637000000000, -0.0004995800000000 ] - [ 0.1674090300000000, 0.1450445800000000, -0.0569398000000000 ] - [ -0.0001445300000000, -0.0000764200000000, -0.0007330600000000 ] - [ -0.0000764100000000, -0.0002039400000000, 0.0008761500000000 ] - [ 0.0000932900000000, 0.0001532800000000, -0.0002067200000000 ] - [ -0.0000614500000000, 0.0000875400000000, -0.0000278300000000 ] - [ -0.0004046500000000, -0.0001017600000000, 0.0000335100000000 ] - [ -0.0000107600000000, -0.0000736900000000, -0.0001686000000000 ] - [ -0.0001023100000000, 0.0012575700000000, -0.0017840300000000 ] - [ 0.0000663400000000, -0.0000105000000000, 0.0001579000000000 ] - [ 0.0002949600000000, -0.0005245900000000, -0.0009021400000000 ] - [ 0.0005984400000000, 0.0000643200000000, 0.0005326400000000 ] - [ -0.0027952800000000, 0.0006664100000000, -0.0005800300000000 ] - [ 0.0000998700000000, -0.0001720500000000, -0.0003199000000000 ] - [ -0.0013738200000000, -0.0000236900000000, 0.0015900100000000 ] - [ -0.0002119100000000, 0.0000289900000000, -0.0002178600000000 ] - [ 0.0000830000000000, -0.0006416200000000, -0.0003057100000000 ] - [ 0.0012222900000000, 0.0001854900000000, -0.0003210800000000 ] - [ 0.0001696800000000, 0.0002355400000000, -0.0001122600000000 ] - [ -0.0003495200000000, 0.0001437300000000, 0.0007811600000000 ] - [ -0.0000368400000000, 0.0001106800000000, 0.0000125700000000 ] - [ -0.0001701500000000, -0.0001042400000000, -0.0001537400000000 ] - [ 0.0003407300000000, 0.0004596400000000, -0.0002577600000000 ] - [ 0.0000010700000000, 0.0000419500000000, 0.0003556900000000 ] - [ 0.0166390600000000, 0.0111085100000000, -0.0005048400000000 ] - [ 0.0001966800000000, 0.0000470200000000, -0.0002668100000000 ] - [ -0.0000044600000000, -0.0000261600000000, 0.0000678100000000 ] - [ -0.0007278300000000, 0.0008706500000000, 0.0007831700000000 ] - [ -0.0005795000000000, 0.0008021800000000, 0.0023377700000000 ] - [ -0.0022075700000000, -0.0005564800000000, -0.0005941100000000 ] - [ 0.0002168300000000, 0.0009421300000000, -0.0005025000000000 ] - [ -0.0001035400000000, -0.0000241100000000, -0.0001585400000000 ] - [ 0.0000374000000000, -0.0001027300000000, -0.0001824900000000 ] - [ -0.0002108400000000, 0.0000227500000000, -0.0000566000000000 ] - [ 0.0001212700000000, 0.0002192900000000, -0.0000680700000000 ] - [ 0.0002930600000000, 0.0001002200000000, -0.0002219500000000 ] - [ -0.0008111300000000, -0.0008096000000000, 0.0007776800000000 ] - [ -0.0005281400000000, -0.0000743700000000, -0.0005590700000000 ] - [ 0.0002670500000000, -0.0001443800000000, -0.0001134700000000 ] - [ -0.0001112400000000, -0.0001002800000000, 0.0000177400000000 ] - [ -0.0001477700000000, -0.0000377500000000, -0.0003003800000000 ] - [ 0.0003937000000000, -0.0002456800000000, 0.0003396000000000 ] - [ -0.0003797800000000, 0.0001889600000000, 0.0001766000000000 ] - [ 0.0000649200000000, -0.0001908400000000, -0.0000333400000000 ] - [ -0.0000734400000000, -0.0000258900000000, -0.0002015100000000 ] - [ -0.0325673200000000, -0.0398699700000000, 0.0073264500000000 ] - [ -0.0002387400000000, 0.0006568400000000, 0.0005537900000000 ] - [ 0.0008298700000000, 0.0003991100000000, -0.0003674700000000 ] - [ 0.0000017900000000, 0.0000797200000000, -0.0000194000000000 ] - [ -0.0001509300000000, -0.0001191100000000, -0.0000302200000000 ] - [ -0.0000120300000000, -0.0001221200000000, 0.0002867600000000 ] - [ -0.0001914900000000, 0.0000020300000000, -0.0002235700000000 ] - [ 0.0000651600000000, -0.0000703900000000, -0.0001028700000000 ] - [ 0.0002763400000000, 0.0000548000000000, 0.0000272400000000 ] - [ -0.0000141200000000, 0.0000166000000000, 0.0001326700000000 ] - [ 0.0000117000000000, 0.0000492800000000, -0.0002770700000000 ] - [ -0.0001743400000000, -0.0003771900000000, 0.0004405900000000 ] - [ 0.0001192500000000, 0.0000074600000000, 0.0000174900000000 ] - [ 0.0004314100000000, -0.0008072000000000, 0.0001166400000000 ] - [ 0.0000086500000000, -0.0004455400000000, 0.0001680700000000 ] - [ -0.0000343700000000, -0.0000746700000000, 0.0000053100000000 ] - [ -0.0000072700000000, 0.0000422500000000, -0.0000814700000000 ] - [ -0.0001464800000000, -0.0002043700000000, -0.0003782800000000 ] - [ -0.0001574900000000, -0.0017617400000000, -0.0035122800000000 ] - [ -0.0006429200000000, -0.0004203900000000, -0.0000868400000000 ] - [ 0.0001328300000000, -0.0005292200000000, 0.0002974600000000 ] - [ -0.0030785500000000, 0.0012222100000000, 0.0025859200000000 ] - [ -0.0001519900000000, 0.0019086900000000, 0.0000217200000000 ] - [ 0.0001546800000000, -0.0002571100000000, -0.0001249500000000 ] - [ 0.0000355800000000, 0.0000742000000000, -0.0002788200000000 ] - [ -0.0005669100000000, -0.0005132100000000, -0.0006531700000000 ] - [ 0.0000023100000000, -0.0002001100000000, -0.0001943000000000 ] - [ 0.0005297500000000, -0.0026742300000000, -0.0016694100000000 ] - [ -0.0000820700000000, -0.0001872400000000, 0.0003018700000000 ] - [ 0.0006740600000000, -0.0000711000000000, 0.0001880800000000 ] - [ -0.0001217500000000, 0.0001997500000000, 0.0000155600000000 ] - [ -0.0000739800000000, -0.0000388700000000, 0.0004457300000000 ] - [ 0.0000265400000000, 0.0000196100000000, -0.0000943600000000 ] - [ -0.0002763000000000, -0.0000078900000000, -0.0000458200000000 ] - [ -0.0007533000000000, -0.0001338500000000, 0.0003016500000000 ] - [ -0.0000625400000000, -0.0000865000000000, 0.0002886600000000 ] - [ 0.0003805200000000, 0.0004020000000000, -0.0007111800000000 ] - [ 0.0111437800000000, -0.0085427600000000, 0.0073948600000000 ] - [ -0.0011581600000000, 0.0002649100000000, 0.0003280500000000 ] - [ 0.0001555700000000, 0.0001918100000000, 0.0000004600000000 ] - [ -0.0000781700000000, -0.0002069300000000, 0.0000855300000000 ] - [ 0.0000378000000000, 0.0000041100000000, 0.0001370300000000 ] - [ -0.0002784200000000, -0.0000199400000000, 0.0001970800000000 ] - [ 0.0001654000000000, 0.0001945200000000, -0.0001005900000000 ] - [ -0.0000141800000000, 0.0000002800000000, 0.0001258700000000 ] - [ -0.0013121000000000, -0.0054583400000000, 0.0021091400000000 ] - [ 0.0001044500000000, 0.0002032700000000, 0.0001968700000000 ] - [ -0.0004391800000000, 0.0000322500000000, -0.0004823000000000 ] - [ -0.0000454000000000, 0.0000199400000000, -0.0003885700000000 ] - [ 0.0000427300000000, -0.0004768500000000, 0.0006728600000000 ] - [ -0.0027745700000000, 0.0002825000000000, -0.0010364400000000 ] - [ 0.0000391100000000, -0.0000345700000000, -0.0002029900000000 ] - [ 0.0001791100000000, -0.0001677400000000, 0.0003119700000000 ] - [ 0.0000272800000000, 0.0000312400000000, -0.0003082600000000 ] - [ -0.0001161300000000, -0.0000274400000000, 0.0000564500000000 ] - [ -0.0000359800000000, -0.0000224600000000, 0.0001327800000000 ] - [ 0.0002091200000000, 0.0003004800000000, 0.0008515800000000 ]- atom: 89 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0002761200000000, 0.0000016800000000, 0.0003319900000000 ] - [ 0.0007763700000000, -0.0011050500000000, 0.0000718800000000 ] - [ -0.0001023800000000, 0.0016353500000000, -0.0000678400000000 ] - [ -0.0009252700000000, -0.0012644000000000, -0.0002024600000000 ] - [ -0.0001330800000000, 0.0002796700000000, -0.0001499800000000 ] - [ -0.0001380900000000, -0.0001372800000000, 0.0000798000000000 ] - [ 0.0002609800000000, -0.0000461000000000, 0.0000565700000000 ] - [ -0.0001190600000000, -0.0002656700000000, -0.0001681700000000 ] - [ -0.0000415200000000, 0.0001118900000000, 0.0003675100000000 ] - [ -0.0000856100000000, 0.0002227800000000, 0.0000615800000000 ] - [ -0.0041715900000000, 0.0014335700000000, -0.0005039200000000 ] - [ -0.0000740500000000, -0.0001940500000000, -0.0000621900000000 ] - [ -0.0002607000000000, -0.0004093900000000, -0.0001859300000000 ] - [ 0.0000749300000000, 0.0001966000000000, 0.0002289800000000 ] - [ 0.0001952300000000, -0.0000794100000000, -0.0000649900000000 ] - [ 0.0014737100000000, 0.0008846100000000, -0.0002843800000000 ] - [ -0.0018418100000000, 0.0031996100000000, 0.0005248400000000 ] - [ -0.0005589300000000, -0.0036868300000000, 0.0004353800000000 ] - [ 0.0004099300000000, 0.0003802100000000, 0.0000135800000000 ] - [ -0.0002677700000000, 0.0004383800000000, -0.0001761500000000 ] - [ 0.0002273600000000, 0.0000472300000000, 0.0000578300000000 ] - [ 0.0002846900000000, 0.0011816500000000, 0.0001380300000000 ] - [ -0.0005949300000000, -0.0009330800000000, 0.0014216500000000 ] - [ 0.0004651900000000, -0.0000938000000000, -0.0000996200000000 ] - [ -0.0006929700000000, -0.0000130100000000, 0.0006478500000000 ] - [ -0.0000808900000000, -0.0002286700000000, -0.0005022200000000 ] - [ 0.0001322300000000, -0.0001737100000000, 0.0000355100000000 ] - [ -0.0000656600000000, -0.0001571300000000, 0.0003728800000000 ] - [ -0.0001183900000000, -0.0001802500000000, 0.0002725500000000 ] - [ 0.0000096700000000, -0.0000575800000000, 0.0001081800000000 ] - [ 0.0003448300000000, -0.0000054100000000, 0.0000882300000000 ] - [ 0.0002857700000000, -0.0000056400000000, -0.0001643000000000 ] - [ 0.0001745100000000, -0.0000498900000000, 0.0003718000000000 ] - [ -0.0000339800000000, 0.0000496800000000, 0.0004456100000000 ] - [ 0.0002202400000000, 0.0000869700000000, -0.0000404800000000 ] - [ 0.0033271900000000, -0.0014482300000000, 0.0003630000000000 ] - [ -0.0001974500000000, 0.0003349700000000, 0.0000560300000000 ] - [ -0.0000789700000000, 0.0001840100000000, -0.0000639000000000 ] - [ -0.0001916200000000, -0.0003348800000000, 0.0000782000000000 ] - [ -0.0000794200000000, -0.0001553000000000, 0.0001266200000000 ] - [ 0.0002445400000000, -0.0000349800000000, -0.0005026000000000 ] - [ 0.0004439700000000, -0.0000463800000000, -0.0000923700000000 ] - [ 0.0000723400000000, 0.0000966500000000, 0.0001446300000000 ] - [ -0.0001408000000000, 0.0001555900000000, 0.0000848700000000 ] - [ 0.0002763700000000, -0.0009176900000000, -0.0003089600000000 ] - [ 0.0008243200000000, 0.0005824500000000, 0.0012221200000000 ] - [ -0.0002083300000000, 0.0002794500000000, -0.0003321300000000 ] - [ -0.0017953700000000, 0.0017862000000000, 0.0015619900000000 ] - [ -0.0003909200000000, -0.0010367000000000, 0.0006551900000000 ] - [ 0.0000155800000000, -0.0000212300000000, 0.0004195800000000 ] - [ -0.0000505300000000, 0.0000898200000000, 0.0002898600000000 ] - [ -0.0004171400000000, -0.0003284600000000, 0.0003222300000000 ] - [ -0.0008374900000000, 0.0001538800000000, -0.0001534700000000 ] - [ -0.0001369400000000, 0.0001449400000000, -0.0000573900000000 ] - [ 0.0001342100000000, -0.0005945700000000, -0.0001872500000000 ] - [ 0.0006994200000000, -0.0007236900000000, -0.0002496400000000 ] - [ -0.0000881000000000, -0.0002391300000000, 0.0000509700000000 ] - [ -0.0002877000000000, 0.0002871600000000, 0.0003329300000000 ] - [ -0.0000548900000000, -0.0001594400000000, 0.0002552600000000 ] - [ 0.0004383700000000, -0.0006132500000000, -0.0030746200000000 ] - [ 0.0003462400000000, -0.0000162200000000, -0.0003265600000000 ] - [ -0.0001669700000000, -0.0001627200000000, -0.0000295100000000 ] - [ 0.0000239800000000, 0.0000040400000000, -0.0000572800000000 ] - [ 0.0007827900000000, -0.0013763900000000, 0.0026233800000000 ] - [ 0.0185819400000000, 0.1818685100000000, -0.0443142600000000 ] - [ 0.0000009500000000, 0.0000843800000000, 0.0002111900000000 ] - [ -0.0028136900000000, -0.0009086100000000, -0.0013342000000000 ] - [ 0.0002613600000000, -0.0002228100000000, 0.0001418000000000 ] - [ 0.0011508600000000, 0.0021908500000000, -0.0014999500000000 ] - [ 0.0000853600000000, 0.0001335300000000, 0.0003415200000000 ] - [ 0.0000388800000000, 0.0000012400000000, 0.0002457700000000 ] - [ 0.0001117900000000, 0.0002488800000000, -0.0000154300000000 ] - [ -0.0002820700000000, 0.0000294400000000, -0.0002651700000000 ] - [ -0.0002620200000000, -0.0001335300000000, 0.0000271800000000 ] - [ -0.0000890100000000, -0.0000596600000000, 0.0002128800000000 ] - [ 0.0001589000000000, -0.0002705600000000, 0.0000836800000000 ] - [ -0.0003189000000000, 0.0004177700000000, -0.0043576700000000 ] - [ -0.0007693300000000, 0.0004027900000000, 0.0000663000000000 ] - [ 0.0000945800000000, 0.0004023900000000, -0.0001984000000000 ] - [ -0.0006846700000000, -0.0008292800000000, -0.0001560800000000 ] - [ -0.0002090100000000, -0.0002708300000000, 0.0001695500000000 ] - [ 0.0001294800000000, 0.0001689900000000, 0.0001728600000000 ] - [ 0.0033950000000000, -0.0011260700000000, 0.0046154100000000 ] - [ 0.0014125300000000, -0.0024217100000000, -0.0004982700000000 ] - [ 0.0009682200000000, 0.0007144100000000, -0.0003593200000000 ] - [ -0.0010748500000000, -0.0004495800000000, -0.0005855000000000 ] - [ -0.0012075400000000, 0.0005098300000000, 0.0012480600000000 ] - [ -0.0012048700000000, 0.0014621700000000, -0.0009853500000000 ] - [ -0.0450887400000000, -0.2154551400000000, 0.0599879800000000 ] - [ 0.0012071100000000, -0.0001336100000000, 0.0013229900000000 ] - [ 0.0001433600000000, 0.0001725900000000, 0.0001809900000000 ] - [ 0.0000886300000000, 0.0001207100000000, -0.0003428200000000 ] - [ 0.0001303600000000, 0.0003211000000000, -0.0001348200000000 ] - [ -0.0000992800000000, 0.0000198200000000, -0.0001111500000000 ] - [ 0.0001074900000000, 0.0002149600000000, -0.0002757000000000 ] - [ -0.0024471000000000, 0.0014352500000000, -0.0027057300000000 ] - [ 0.0000581000000000, -0.0000191600000000, 0.0002821000000000 ] - [ -0.0004290800000000, 0.0006647500000000, 0.0011724300000000 ] - [ 0.0004722400000000, 0.0000005300000000, 0.0004513400000000 ] - [ -0.0012694800000000, -0.0004547300000000, -0.0004156600000000 ] - [ 0.0001274200000000, -0.0001464600000000, -0.0003582400000000 ] - [ 0.0000885500000000, -0.0002634800000000, 0.0000535100000000 ] - [ -0.0001981200000000, 0.0000014800000000, -0.0003611700000000 ] - [ 0.0014615900000000, 0.0016951500000000, -0.0006760100000000 ] - [ -0.0014702700000000, 0.0008774400000000, -0.0012806100000000 ] - [ 0.0001416700000000, 0.0001860800000000, -0.0001445500000000 ] - [ 0.0010224200000000, -0.0001123200000000, 0.0000579800000000 ] - [ -0.0000320000000000, 0.0000247300000000, -0.0001532300000000 ] - [ -0.0001083400000000, 0.0001665900000000, -0.0003011000000000 ] - [ -0.0000952200000000, -0.0003143400000000, -0.0002349500000000 ] - [ -0.0000477600000000, 0.0000767000000000, -0.0000116400000000 ] - [ 0.0176955600000000, 0.0469591100000000, -0.0067846900000000 ] - [ -0.0007436800000000, 0.0011506400000000, -0.0017703700000000 ] - [ 0.0000227700000000, 0.0000195700000000, -0.0001211000000000 ] - [ 0.0001119200000000, -0.0000445000000000, 0.0001722300000000 ] - [ -0.0001210300000000, -0.0004277800000000, 0.0013357100000000 ] - [ 0.0005705500000000, 0.0001585600000000, 0.0000325300000000 ] - [ -0.0009353900000000, -0.0005312500000000, -0.0008056900000000 ] - [ -0.0000654100000000, -0.0000078000000000, -0.0001754300000000 ] - [ 0.0001035000000000, -0.0002216400000000, -0.0003743600000000 ] - [ -0.0003370800000000, 0.0000280500000000, -0.0002255700000000 ] - [ 0.0001418400000000, 0.0003029100000000, -0.0002248800000000 ] - [ -0.0000054300000000, -0.0000812300000000, -0.0001830800000000 ] - [ -0.0000123000000000, -0.0002404100000000, 0.0002238500000000 ] - [ 0.0001769600000000, 0.0001652600000000, -0.0000797000000000 ] - [ 0.0002478700000000, -0.0004760100000000, -0.0001020200000000 ] - [ -0.0001121600000000, -0.0002507800000000, 0.0000201000000000 ] - [ -0.0001406500000000, -0.0000004800000000, -0.0003402300000000 ] - [ -0.0005032600000000, 0.0008265800000000, -0.0003941800000000 ] - [ -0.0011654500000000, 0.0008729900000000, 0.0002750200000000 ] - [ 0.0001421900000000, -0.0002914400000000, -0.0002028100000000 ] - [ 0.0000477500000000, -0.0000594000000000, -0.0002921600000000 ] - [ -0.0017516100000000, -0.0206016300000000, 0.0005734400000000 ] - [ -0.0002901800000000, 0.0003423000000000, 0.0004510000000000 ] - [ 0.0001479600000000, -0.0008175000000000, 0.0000355200000000 ] - [ -0.0000613000000000, -0.0001189800000000, 0.0001611200000000 ] - [ 0.0000892300000000, 0.0000751100000000, -0.0002237400000000 ] - [ -0.0000394900000000, 0.0002510200000000, 0.0000222000000000 ] - [ -0.0002639600000000, 0.0000717900000000, -0.0003031500000000 ] - [ 0.0000445600000000, -0.0000890200000000, -0.0002574800000000 ] - [ 0.0000640100000000, -0.0000763100000000, 0.0000019300000000 ] - [ -0.0000004000000000, -0.0000206400000000, -0.0001205400000000 ] - [ -0.0000102800000000, -0.0000262700000000, -0.0004372600000000 ] - [ -0.0003670300000000, -0.0004841800000000, 0.0005139400000000 ] - [ 0.0000035400000000, 0.0000054400000000, -0.0001636100000000 ] - [ -0.0002992700000000, 0.0019365600000000, 0.0007247300000000 ] - [ 0.0001169900000000, 0.0005442300000000, -0.0003922400000000 ] - [ -0.0000374900000000, -0.0000241900000000, -0.0001550200000000 ] - [ 0.0000577400000000, 0.0000959300000000, -0.0002328200000000 ] - [ -0.0002867000000000, 0.0005134900000000, 0.0001259000000000 ] - [ 0.0015490900000000, 0.0011047200000000, 0.0034315100000000 ] - [ 0.0000741600000000, 0.0010325100000000, -0.0001659100000000 ] - [ 0.0005192600000000, 0.0001442300000000, 0.0013131000000000 ] - [ 0.0003853700000000, -0.0019680200000000, -0.0000978400000000 ] - [ -0.0008774100000000, -0.0002818100000000, 0.0005829300000000 ] - [ 0.0001528700000000, -0.0002213700000000, -0.0001439500000000 ] - [ 0.0001275100000000, 0.0002253700000000, -0.0003818200000000 ] - [ 0.0009087800000000, 0.0008525700000000, 0.0007007800000000 ] - [ -0.0000399300000000, 0.0001366800000000, -0.0003408300000000 ] - [ 0.0009829300000000, -0.0006708500000000, -0.0002958600000000 ] - [ 0.0000441800000000, 0.0000267400000000, 0.0000093700000000 ] - [ -0.0005459900000000, 0.0001867000000000, -0.0004110300000000 ] - [ -0.0001055500000000, 0.0000964900000000, 0.0000264400000000 ] - [ -0.0000125700000000, -0.0000606200000000, 0.0000758800000000 ] - [ -0.0000448900000000, 0.0000055700000000, -0.0004880900000000 ] - [ -0.0002895400000000, -0.0000300800000000, -0.0002032600000000 ] - [ 0.0001225100000000, 0.0011498100000000, 0.0002646900000000 ] - [ 0.0002691800000000, 0.0000689200000000, 0.0000239400000000 ] - [ -0.0004413400000000, -0.0010817400000000, 0.0011160300000000 ] - [ 0.0132954400000000, -0.0046768100000000, -0.0085351400000000 ] - [ -0.0001789600000000, -0.0000664200000000, 0.0004408100000000 ] - [ -0.0002168600000000, 0.0003553400000000, 0.0004353300000000 ] - [ -0.0001546700000000, 0.0001110400000000, 0.0001287500000000 ] - [ 0.0000069700000000, -0.0000475300000000, 0.0000092300000000 ] - [ -0.0002359700000000, 0.0000139700000000, 0.0001316100000000 ] - [ -0.0014574800000000, 0.0021163700000000, 0.0009697700000000 ] - [ -0.0000027300000000, 0.0000304100000000, 0.0000143100000000 ] - [ 0.0043208700000000, 0.0044941900000000, -0.0022112400000000 ] - [ 0.0001094300000000, 0.0002576500000000, 0.0001331300000000 ] - [ -0.0001037800000000, -0.0001878500000000, -0.0000452300000000 ] - [ -0.0000111700000000, -0.0000305500000000, -0.0004159100000000 ] - [ 0.0004256700000000, 0.0001328900000000, -0.0007443900000000 ] - [ -0.0000791500000000, -0.0002515100000000, 0.0001948400000000 ] - [ 0.0000444500000000, -0.0000038300000000, -0.0005294100000000 ] - [ 0.0001302700000000, -0.0002691800000000, 0.0000147800000000 ] - [ -0.0000329200000000, 0.0000559700000000, -0.0003392200000000 ] - [ 0.0002237400000000, 0.0000579700000000, 0.0001118900000000 ] - [ -0.0000131600000000, 0.0000005500000000, 0.0000203400000000 ] - [ -0.0001332000000000, -0.0002112400000000, -0.0006867100000000 ]- atom: 89 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0002240600000000, 0.0004194600000000, 0.0000963000000000 ] - [ -0.0008922000000000, 0.0013354600000000, 0.0002681700000000 ] - [ 0.0000545100000000, -0.0015499400000000, 0.0003454800000000 ] - [ 0.0009457800000000, 0.0009919700000000, 0.0004538700000000 ] - [ -0.0001154500000000, 0.0001649500000000, -0.0002926700000000 ] - [ -0.0000830500000000, -0.0002474000000000, -0.0000877600000000 ] - [ 0.0001918100000000, 0.0000514800000000, -0.0000686400000000 ] - [ -0.0001401700000000, -0.0001827700000000, -0.0002705400000000 ] - [ -0.0000881200000000, 0.0001357900000000, -0.0002561000000000 ] - [ -0.0001493400000000, 0.0001667900000000, -0.0000739600000000 ] - [ 0.0042284800000000, -0.0011794900000000, 0.0007596700000000 ] - [ -0.0000649100000000, -0.0002422500000000, -0.0001875000000000 ] - [ 0.0000622000000000, 0.0000050500000000, -0.0004025800000000 ] - [ -0.0000456700000000, -0.0003550900000000, 0.0002712500000000 ] - [ 0.0002355400000000, -0.0000270000000000, -0.0001922400000000 ] - [ -0.0015972600000000, -0.0011178800000000, 0.0006261900000000 ] - [ 0.0022083800000000, -0.0037011500000000, -0.0002979500000000 ] - [ 0.0007981600000000, 0.0038395000000000, -0.0001866300000000 ] - [ -0.0004412300000000, -0.0000878100000000, 0.0001012200000000 ] - [ 0.0000732200000000, -0.0000110000000000, -0.0004126500000000 ] - [ 0.0002273400000000, -0.0000555000000000, -0.0000697800000000 ] - [ -0.0000081600000000, -0.0010654900000000, -0.0000050100000000 ] - [ 0.0006552300000000, 0.0005164000000000, -0.0010094700000000 ] - [ -0.0003548000000000, 0.0000995100000000, 0.0003805700000000 ] - [ 0.0009738700000000, 0.0000197000000000, -0.0000615500000000 ] - [ -0.0001713400000000, -0.0001442300000000, -0.0000863500000000 ] - [ -0.0002417900000000, 0.0003804800000000, -0.0003714500000000 ] - [ -0.0000855800000000, 0.0001055400000000, 0.0001285900000000 ] - [ 0.0004559000000000, 0.0004381000000000, 0.0001556500000000 ] - [ 0.0000066100000000, 0.0002161400000000, 0.0003902100000000 ] - [ 0.0004033200000000, -0.0000062500000000, -0.0000478300000000 ] - [ 0.0002228200000000, 0.0000129300000000, -0.0002781400000000 ] - [ -0.0000464200000000, 0.0001437100000000, 0.0001258300000000 ] - [ 0.0001652000000000, -0.0001573100000000, 0.0000481800000000 ] - [ 0.0002158200000000, 0.0000168400000000, -0.0002178700000000 ] - [ -0.0035620200000000, 0.0013293700000000, -0.0001110000000000 ] - [ -0.0001874200000000, 0.0003081100000000, -0.0000150200000000 ] - [ -0.0000496400000000, 0.0002458500000000, -0.0001942600000000 ] - [ -0.0001861300000000, -0.0003184100000000, -0.0000414100000000 ] - [ -0.0000521100000000, -0.0000722000000000, -0.0000087400000000 ] - [ 0.0002230900000000, 0.0000817800000000, -0.0000871800000000 ] - [ -0.0002068500000000, -0.0001358100000000, 0.0003365700000000 ] - [ -0.0001837500000000, -0.0002902300000000, -0.0004876500000000 ] - [ -0.0000815800000000, 0.0002395000000000, -0.0000971400000000 ] - [ -0.0003120300000000, 0.0006121300000000, 0.0004102100000000 ] - [ -0.0004984400000000, -0.0008330700000000, -0.0008075500000000 ] - [ -0.0000782800000000, 0.0000863800000000, -0.0002542300000000 ] - [ 0.0015441600000000, -0.0019790000000000, -0.0014607900000000 ] - [ 0.0001588900000000, 0.0012180800000000, -0.0005457400000000 ] - [ 0.0002200400000000, 0.0000293600000000, -0.0007585700000000 ] - [ -0.0001076600000000, -0.0000309800000000, 0.0002057700000000 ] - [ 0.0000308400000000, 0.0004993500000000, 0.0001042000000000 ] - [ 0.0005816300000000, -0.0000210000000000, 0.0003966500000000 ] - [ -0.0001715300000000, 0.0001754400000000, -0.0002000100000000 ] - [ -0.0001973800000000, 0.0004875100000000, 0.0004619400000000 ] - [ -0.0004269100000000, 0.0006120800000000, 0.0003590600000000 ] - [ -0.0001348900000000, -0.0001441200000000, -0.0000593200000000 ] - [ -0.0001130900000000, -0.0004584800000000, 0.0000925300000000 ] - [ -0.0000826000000000, -0.0000797700000000, 0.0003313700000000 ] - [ -0.0005695800000000, 0.0008671700000000, 0.0036479000000000 ] - [ 0.0001126500000000, -0.0000494900000000, -0.0002598600000000 ] - [ -0.0001419000000000, -0.0001757300000000, -0.0002208300000000 ] - [ 0.0002532000000000, 0.0000078000000000, 0.0001715900000000 ] - [ -0.0007409900000000, 0.0013022500000000, -0.0020147800000000 ] - [ -0.0155556700000000, -0.1787531400000000, 0.0427947100000000 ] - [ 0.0000055500000000, -0.0000889700000000, -0.0000491500000000 ] - [ 0.0027956700000000, 0.0009238300000000, 0.0003420900000000 ] - [ 0.0000205200000000, 0.0007135800000000, -0.0002434800000000 ] - [ -0.0011543100000000, -0.0021787100000000, 0.0005125600000000 ] - [ -0.0000842600000000, -0.0001356400000000, 0.0005605400000000 ] - [ -0.0000391900000000, -0.0000018300000000, -0.0009257200000000 ] - [ 0.0001249600000000, 0.0001610300000000, -0.0004558100000000 ] - [ -0.0001836300000000, -0.0000301200000000, -0.0002105100000000 ] - [ -0.0003057100000000, 0.0001322700000000, -0.0001280000000000 ] - [ 0.0000809500000000, 0.0000644000000000, -0.0000512300000000 ] - [ 0.0000719600000000, -0.0001308300000000, -0.0005606500000000 ] - [ 0.0002146000000000, -0.0004271900000000, 0.0049726600000000 ] - [ 0.0008364700000000, -0.0003083200000000, 0.0005158700000000 ] - [ 0.0001873000000000, -0.0008951300000000, 0.0001101400000000 ] - [ 0.0008132600000000, 0.0008175600000000, 0.0003945300000000 ] - [ 0.0002255000000000, 0.0002650400000000, -0.0007658200000000 ] - [ -0.0001463800000000, -0.0001601200000000, -0.0007691700000000 ] - [ -0.0034130500000000, 0.0011240300000000, -0.0039559500000000 ] - [ -0.0014770400000000, 0.0023248800000000, 0.0007404100000000 ] - [ -0.0009681500000000, -0.0007262300000000, 0.0001187900000000 ] - [ 0.0010755200000000, 0.0004445800000000, 0.0003460400000000 ] - [ 0.0012197900000000, -0.0005075900000000, -0.0009303300000000 ] - [ 0.0013268400000000, -0.0016660700000000, 0.0012489700000000 ] - [ 0.0421238300000000, 0.2122675200000000, -0.0576119200000000 ] - [ -0.0005851500000000, 0.0001313800000000, -0.0009028000000000 ] - [ -0.0001452100000000, -0.0001753200000000, 0.0008877200000000 ] - [ 0.0001084100000000, 0.0001539600000000, -0.0003058000000000 ] - [ 0.0000257000000000, -0.0000502600000000, 0.0000423400000000 ] - [ -0.0002060700000000, -0.0000114000000000, 0.0000195800000000 ] - [ 0.0001615300000000, -0.0000628300000000, -0.0002211500000000 ] - [ 0.0024695700000000, -0.0014507000000000, 0.0019114000000000 ] - [ 0.0000243700000000, 0.0000153000000000, 0.0001676700000000 ] - [ -0.0000724800000000, -0.0002746300000000, -0.0008006800000000 ] - [ 0.0006345100000000, 0.0000056100000000, 0.0003523200000000 ] - [ -0.0003937000000000, 0.0004007100000000, -0.0005552500000000 ] - [ 0.0000742000000000, -0.0001300200000000, -0.0002911300000000 ] - [ -0.0001891900000000, 0.0001056000000000, -0.0002404300000000 ] - [ -0.0001420200000000, 0.0000355100000000, -0.0002880100000000 ] - [ -0.0005907500000000, -0.0002900900000000, -0.0002941100000000 ] - [ 0.0012437000000000, -0.0008789700000000, 0.0015457800000000 ] - [ 0.0001281500000000, 0.0002593400000000, -0.0001025100000000 ] - [ -0.0004658200000000, 0.0003557000000000, 0.0003242400000000 ] - [ -0.0000923100000000, 0.0001902700000000, 0.0001593500000000 ] - [ -0.0000258400000000, -0.0003989000000000, -0.0000697600000000 ] - [ 0.0000927200000000, 0.0006260000000000, -0.0002646000000000 ] - [ 0.0000027100000000, -0.0000073700000000, 0.0004617700000000 ] - [ -0.0171492400000000, -0.0460261300000000, 0.0064182400000000 ] - [ 0.0006490600000000, -0.0010036900000000, 0.0015617000000000 ] - [ -0.0000209300000000, -0.0000167300000000, 0.0000898400000000 ] - [ -0.0001893600000000, 0.0006596500000000, 0.0002094200000000 ] - [ 0.0001179000000000, 0.0004221700000000, 0.0002898100000000 ] - [ -0.0010209000000000, -0.0001518900000000, -0.0003715500000000 ] - [ 0.0010567600000000, 0.0007426500000000, 0.0010645800000000 ] - [ -0.0001475800000000, -0.0000003400000000, -0.0001602400000000 ] - [ 0.0000309900000000, -0.0000808200000000, -0.0002716500000000 ] - [ -0.0001841800000000, -0.0000213300000000, -0.0000206100000000 ] - [ 0.0001078500000000, 0.0001526900000000, -0.0000217200000000 ] - [ -0.0002562400000000, 0.0002474300000000, -0.0003197000000000 ] - [ -0.0003064500000000, -0.0003081900000000, 0.0002086500000000 ] - [ -0.0000456500000000, -0.0001567900000000, -0.0004332900000000 ] - [ -0.0000870900000000, 0.0002132400000000, 0.0000068200000000 ] - [ 0.0000342800000000, 0.0001058600000000, 0.0002992200000000 ] - [ -0.0001892000000000, -0.0000344700000000, -0.0003055900000000 ] - [ 0.0001934900000000, -0.0002986800000000, 0.0008199300000000 ] - [ 0.0007898600000000, -0.0006013100000000, 0.0002706000000000 ] - [ 0.0001144200000000, -0.0001848400000000, -0.0000454500000000 ] - [ 0.0002248400000000, -0.0000817300000000, -0.0002071800000000 ] - [ 0.0012069700000000, 0.0201337500000000, 0.0000419200000000 ] - [ -0.0002599600000000, 0.0006217500000000, 0.0003536200000000 ] - [ -0.0002783000000000, 0.0010579600000000, -0.0004155000000000 ] - [ 0.0000614500000000, 0.0001183400000000, 0.0009081300000000 ] - [ 0.0001847700000000, -0.0000667500000000, -0.0001441900000000 ] - [ -0.0000469300000000, -0.0000974300000000, 0.0002932600000000 ] - [ 0.0000019200000000, -0.0002293000000000, -0.0001931300000000 ] - [ 0.0000546400000000, -0.0000998400000000, -0.0000781200000000 ] - [ 0.0001143200000000, 0.0000792500000000, 0.0003136400000000 ] - [ 0.0000015600000000, 0.0000241800000000, 0.0000889100000000 ] - [ 0.0000118700000000, 0.0000304600000000, -0.0004359000000000 ] - [ -0.0001841300000000, -0.0004694700000000, 0.0002893200000000 ] - [ 0.0002437500000000, -0.0000053100000000, 0.0001699900000000 ] - [ 0.0007236700000000, -0.0021327400000000, -0.0001793900000000 ] - [ -0.0001896700000000, -0.0011688600000000, 0.0007665100000000 ] - [ -0.0000846800000000, -0.0001868500000000, 0.0001609200000000 ] - [ 0.0000436100000000, 0.0000805500000000, -0.0001020100000000 ] - [ 0.0002253500000000, -0.0006218300000000, -0.0006397000000000 ] - [ -0.0013862900000000, -0.0011157600000000, -0.0036485000000000 ] - [ 0.0001459900000000, -0.0006513900000000, -0.0001732200000000 ] - [ -0.0005180300000000, -0.0001518100000000, 0.0003150600000000 ] - [ 0.0004855300000000, 0.0005494100000000, -0.0008774900000000 ] - [ 0.0016620000000000, 0.0017343100000000, -0.0015535200000000 ] - [ 0.0001135500000000, -0.0002271600000000, -0.0001026500000000 ] - [ 0.0000111600000000, 0.0000823100000000, -0.0002664300000000 ] - [ -0.0025582000000000, -0.0008100900000000, -0.0016648600000000 ] - [ 0.0000345900000000, -0.0004426800000000, -0.0001556200000000 ] - [ -0.0001934800000000, -0.0008074400000000, -0.0006803200000000 ] - [ -0.0001324300000000, -0.0001685200000000, 0.0003101800000000 ] - [ 0.0011367300000000, -0.0004296600000000, 0.0007847800000000 ] - [ 0.0000228800000000, 0.0000376400000000, 0.0002945400000000 ] - [ -0.0000323200000000, -0.0000158800000000, 0.0003765900000000 ] - [ 0.0000418100000000, -0.0000100000000000, 0.0004129500000000 ] - [ -0.0002522900000000, 0.0000146800000000, -0.0000450000000000 ] - [ -0.0001776800000000, -0.0006861300000000, 0.0002795400000000 ] - [ -0.0001129400000000, -0.0000738100000000, 0.0002971000000000 ] - [ -0.0000571700000000, 0.0007169400000000, -0.0007432000000000 ] - [ -0.0132941400000000, 0.0046028700000000, 0.0080155600000000 ] - [ 0.0001202300000000, -0.0003683500000000, 0.0001033900000000 ] - [ 0.0002595500000000, -0.0004429200000000, -0.0004819200000000 ] - [ 0.0000380300000000, -0.0003132100000000, 0.0000691900000000 ] - [ -0.0000107900000000, 0.0000311300000000, 0.0001478700000000 ] - [ -0.0002215500000000, -0.0000077300000000, 0.0002059900000000 ] - [ 0.0014772300000000, -0.0021581300000000, -0.0009347200000000 ] - [ -0.0000007300000000, -0.0000360300000000, 0.0001417100000000 ] - [ -0.0044035600000000, -0.0045312900000000, 0.0022637400000000 ] - [ 0.0001231600000000, 0.0001458800000000, 0.0002030500000000 ] - [ 0.0001455200000000, 0.0002632900000000, -0.0000120500000000 ] - [ 0.0000282200000000, 0.0000615600000000, -0.0002863500000000 ] - [ -0.0005241300000000, -0.0001375500000000, 0.0006969900000000 ] - [ 0.0000889100000000, 0.0003014500000000, -0.0001737900000000 ] - [ -0.0000602400000000, 0.0000120700000000, -0.0001764800000000 ] - [ 0.0001032100000000, -0.0001233300000000, 0.0003245400000000 ] - [ 0.0000469800000000, -0.0000657500000000, -0.0003666600000000 ] - [ 0.0000142400000000, -0.0000543600000000, 0.0000844800000000 ] - [ -0.0000000200000000, -0.0000117100000000, 0.0001367900000000 ] - [ 0.0000168900000000, 0.0004216600000000, 0.0008949000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000646600000000, 0.0003077200000000, 0.0003415200000000 ] - [ -0.0001745400000000, 0.0002716400000000, 0.0009926800000000 ] - [ 0.0012495000000000, -0.0019114700000000, -0.0019609000000000 ] - [ 0.0002733400000000, 0.0003002000000000, 0.0011792000000000 ] - [ -0.0001210100000000, 0.0002133800000000, -0.0006742900000000 ] - [ -0.0000692500000000, -0.0001297000000000, -0.0005626700000000 ] - [ 0.0002279600000000, 0.0000025400000000, -0.0003462400000000 ] - [ -0.0001406300000000, -0.0002455700000000, -0.0005819200000000 ] - [ -0.0002399800000000, 0.0003960000000000, -0.0006109100000000 ] - [ -0.0001269400000000, 0.0001926600000000, -0.0003464600000000 ] - [ 0.0021039200000000, 0.0006820900000000, 0.0032235900000000 ] - [ -0.0000570800000000, -0.0001958800000000, -0.0004795900000000 ] - [ 0.0000201000000000, 0.0000147400000000, -0.0005778600000000 ] - [ -0.0001208000000000, -0.0003447800000000, -0.0004312200000000 ] - [ 0.0002069900000000, -0.0000542300000000, -0.0004789700000000 ] - [ -0.0000438400000000, -0.0003809800000000, 0.0013723200000000 ] - [ -0.0004412500000000, 0.0018548000000000, 0.0036335200000000 ] - [ -0.0000676200000000, 0.0004563700000000, 0.0008631000000000 ] - [ -0.0000308300000000, 0.0001695000000000, 0.0003514900000000 ] - [ 0.0001887700000000, 0.0003265100000000, -0.0009345900000000 ] - [ 0.0001218100000000, -0.0000333500000000, -0.0005162400000000 ] - [ -0.0011559500000000, -0.0007794200000000, 0.0003222800000000 ] - [ 0.0013906400000000, 0.0021455000000000, -0.0017459400000000 ] - [ 0.0002170100000000, -0.0000035400000000, 0.0002228500000000 ] - [ 0.0009088900000000, 0.0005343500000000, 0.0003501100000000 ] - [ 0.0000121400000000, -0.0004206700000000, -0.0006238500000000 ] - [ -0.0001028500000000, 0.0001391400000000, -0.0004293000000000 ] - [ -0.0000892400000000, 0.0000142100000000, -0.0000087600000000 ] - [ 0.0003428500000000, 0.0001149300000000, 0.0003362500000000 ] - [ 0.0000336200000000, 0.0000326600000000, -0.0000434600000000 ] - [ 0.0004078200000000, 0.0000270700000000, -0.0003512900000000 ] - [ 0.0002793100000000, 0.0000048600000000, -0.0005804600000000 ] - [ 0.0000367200000000, 0.0000644500000000, -0.0000094100000000 ] - [ 0.0003996200000000, -0.0000851800000000, -0.0004098700000000 ] - [ 0.0001603700000000, 0.0000539200000000, -0.0005763100000000 ] - [ -0.0002534700000000, -0.0001639600000000, 0.0012629000000000 ] - [ -0.0001585900000000, 0.0002123200000000, -0.0004792700000000 ] - [ -0.0000563200000000, 0.0002099000000000, -0.0004796500000000 ] - [ -0.0001813900000000, -0.0003377700000000, -0.0003172400000000 ] - [ -0.0000309100000000, -0.0001069600000000, -0.0001969200000000 ] - [ 0.0001551500000000, -0.0002042700000000, -0.0004566300000000 ] - [ 0.0001795500000000, -0.0001326600000000, 0.0009002000000000 ] - [ -0.0002971600000000, -0.0000410800000000, -0.0004780100000000 ] - [ -0.0000947000000000, 0.0002426700000000, -0.0003686700000000 ] - [ -0.0001910500000000, -0.0000915500000000, 0.0003507100000000 ] - [ -0.0023539800000000, 0.0000438800000000, -0.0016960100000000 ] - [ -0.0002965000000000, 0.0000079600000000, -0.0004544100000000 ] - [ 0.0000677000000000, 0.0002198400000000, 0.0034719900000000 ] - [ -0.0000801000000000, 0.0009915600000000, 0.0000880500000000 ] - [ 0.0000172600000000, 0.0003265400000000, -0.0007980000000000 ] - [ -0.0000610800000000, 0.0000140000000000, -0.0000056200000000 ] - [ -0.0002879600000000, 0.0002289000000000, 0.0003360900000000 ] - [ 0.0003057100000000, 0.0000895700000000, 0.0008571100000000 ] - [ -0.0001437500000000, 0.0001361000000000, -0.0004804700000000 ] - [ -0.0000540000000000, -0.0002297600000000, 0.0002274900000000 ] - [ 0.0001745200000000, -0.0000974400000000, 0.0003459300000000 ] - [ -0.0001269400000000, -0.0001816400000000, -0.0003337500000000 ] - [ -0.0003494800000000, -0.0001576000000000, 0.0003499100000000 ] - [ 0.0000823700000000, -0.0002467700000000, 0.0005979100000000 ] - [ -0.0001649100000000, -0.0013362600000000, 0.0005938500000000 ] - [ 0.0003569200000000, -0.0000449400000000, -0.0005729500000000 ] - [ -0.0001373500000000, -0.0001324600000000, -0.0005651200000000 ] - [ 0.0000867300000000, -0.0000010900000000, -0.0002382500000000 ] - [ -0.0012629200000000, 0.0021326700000000, 0.0014394300000000 ] - [ -0.0422652600000000, -0.0742967400000000, 0.1178545600000000 ] - [ 0.0001725900000000, -0.0000543600000000, -0.0010767700000000 ] - [ 0.0002120300000000, 0.0003715300000000, -0.0000247600000000 ] - [ 0.0001838900000000, 0.0004648000000000, -0.0003234500000000 ] - [ 0.0028627900000000, -0.0032918000000000, -0.0015801600000000 ] - [ 0.0003387900000000, -0.0005305700000000, -0.0005574200000000 ] - [ -0.0001077300000000, 0.0001448000000000, -0.0015067200000000 ] - [ 0.0001676400000000, 0.0001978100000000, -0.0012967700000000 ] - [ -0.0002506100000000, -0.0000159500000000, -0.0013715900000000 ] - [ -0.0001045200000000, 0.0001426900000000, -0.0003569300000000 ] - [ -0.0000400900000000, -0.0000639400000000, -0.0009491700000000 ] - [ 0.0000834400000000, -0.0001760300000000, -0.0012979400000000 ] - [ -0.0013013500000000, -0.0021685900000000, -0.0000785000000000 ] - [ 0.0025229400000000, 0.0000222700000000, 0.0014235700000000 ] - [ -0.0001352600000000, -0.0004400200000000, -0.0042622800000000 ] - [ 0.0005053400000000, 0.0001417500000000, 0.0018483400000000 ] - [ 0.0002326700000000, 0.0003714500000000, -0.0013088800000000 ] - [ -0.0004642700000000, 0.0000189300000000, -0.0011907600000000 ] - [ -0.0032624400000000, 0.0011032400000000, 0.0008407500000000 ] - [ -0.0000994200000000, 0.0005020200000000, 0.0018232500000000 ] - [ -0.0003414500000000, -0.0005866800000000, -0.0006679000000000 ] - [ 0.0007945000000000, -0.0000886600000000, -0.0008139500000000 ] - [ -0.0005041800000000, 0.0006561500000000, -0.0002324900000000 ] - [ 0.0009048000000000, -0.0008302100000000, 0.0001713600000000 ] - [ 0.0578162100000000, 0.1006914200000000, -0.1191975800000000 ] - [ 0.0010430700000000, 0.0002752300000000, 0.0003575500000000 ] - [ -0.0001418500000000, -0.0002379600000000, 0.0011294700000000 ] - [ -0.0000324100000000, 0.0000479200000000, 0.0000944300000000 ] - [ 0.0000010400000000, 0.0000417800000000, 0.0001290900000000 ] - [ -0.0002898200000000, -0.0000735600000000, 0.0001500000000000 ] - [ 0.0000818900000000, -0.0000345900000000, -0.0000780400000000 ] - [ 0.0011676500000000, -0.0006908600000000, -0.0012072300000000 ] - [ 0.0000760100000000, 0.0000369100000000, 0.0009761000000000 ] - [ -0.0003750500000000, 0.0009708400000000, 0.0003488200000000 ] - [ 0.0004829200000000, 0.0000945600000000, 0.0006590500000000 ] - [ -0.0022521400000000, 0.0005608200000000, -0.0008758700000000 ] - [ 0.0000754400000000, 0.0000225200000000, 0.0000370700000000 ] - [ -0.0005161600000000, -0.0000643400000000, -0.0009397400000000 ] - [ -0.0001351300000000, 0.0000305400000000, 0.0000349800000000 ] - [ 0.0002219700000000, 0.0003383900000000, -0.0006523800000000 ] - [ 0.0018018400000000, -0.0011801000000000, 0.0003885300000000 ] - [ 0.0000859400000000, 0.0001190800000000, 0.0002981900000000 ] - [ -0.0017819600000000, 0.0002179100000000, 0.0003257300000000 ] - [ -0.0000617000000000, 0.0001294000000000, 0.0004275700000000 ] - [ -0.0001169400000000, -0.0002050000000000, -0.0000840200000000 ] - [ -0.0000786200000000, -0.0000360600000000, 0.0008082900000000 ] - [ -0.0000003500000000, 0.0000051400000000, 0.0009236600000000 ] - [ 0.0004581300000000, 0.0079962500000000, -0.0165838600000000 ] - [ 0.0002071700000000, -0.0003425100000000, -0.0009655800000000 ] - [ 0.0000017400000000, 0.0000042800000000, 0.0006834200000000 ] - [ -0.0006317900000000, 0.0006458700000000, 0.0000936300000000 ] - [ -0.0004756300000000, 0.0005784200000000, 0.0016047700000000 ] - [ -0.0008232200000000, -0.0001448600000000, -0.0009489700000000 ] - [ 0.0008344100000000, 0.0000630000000000, 0.0000662700000000 ] - [ 0.0000203800000000, -0.0000088500000000, 0.0002062300000000 ] - [ -0.0000966900000000, -0.0000110900000000, 0.0001252500000000 ] - [ -0.0001103400000000, 0.0000106500000000, 0.0002506500000000 ] - [ 0.0000563600000000, 0.0001082000000000, 0.0002445500000000 ] - [ 0.0007938200000000, 0.0001051300000000, 0.0008920400000000 ] - [ -0.0007339400000000, -0.0005836300000000, 0.0001108900000000 ] - [ -0.0000069100000000, -0.0000219400000000, -0.0013741000000000 ] - [ -0.0003236000000000, 0.0006918000000000, 0.0011952100000000 ] - [ 0.0001230300000000, 0.0000833200000000, 0.0004809400000000 ] - [ -0.0000146200000000, 0.0000324800000000, 0.0000367100000000 ] - [ 0.0009426400000000, -0.0014776900000000, 0.0003740800000000 ] - [ -0.0002976100000000, 0.0000071900000000, -0.0003377000000000 ] - [ 0.0000424100000000, -0.0001145200000000, 0.0002501300000000 ] - [ 0.0001042100000000, -0.0000816100000000, -0.0000871900000000 ] - [ 0.0065575400000000, 0.0040085500000000, -0.0167239500000000 ] - [ -0.0005677300000000, 0.0009583600000000, 0.0009252800000000 ] - [ 0.0005171700000000, 0.0011383800000000, 0.0032579700000000 ] - [ 0.0002595200000000, -0.0000154400000000, 0.0010362900000000 ] - [ 0.0000469700000000, -0.0000985900000000, -0.0000564500000000 ] - [ 0.0000335900000000, -0.0001572100000000, 0.0005069700000000 ] - [ -0.0001339800000000, -0.0000902500000000, -0.0000920900000000 ] - [ 0.0000198200000000, -0.0000281100000000, 0.0002134500000000 ] - [ 0.0003305100000000, -0.0000033000000000, 0.0005244800000000 ] - [ -0.0000197600000000, 0.0000118400000000, 0.0007413000000000 ] - [ -0.0000631700000000, 0.0001054200000000, 0.0002918100000000 ] - [ -0.0003470700000000, -0.0003841300000000, 0.0006725800000000 ] - [ 0.0003298500000000, -0.0000217400000000, 0.0004051800000000 ] - [ 0.0003709100000000, -0.0007080600000000, -0.0004988400000000 ] - [ -0.0000331800000000, -0.0009752400000000, 0.0000969500000000 ] - [ -0.0001276300000000, -0.0002791300000000, 0.0004005900000000 ] - [ -0.0000177000000000, -0.0000103900000000, 0.0001860000000000 ] - [ -0.0000161700000000, -0.0001438600000000, -0.0013708600000000 ] - [ 0.0009647300000000, 0.0015133200000000, -0.0000490700000000 ] - [ 0.0000956000000000, 0.0001083600000000, -0.0007042500000000 ] - [ -0.0000157500000000, -0.0000318600000000, 0.0006012600000000 ] - [ -0.0027158500000000, 0.0007099000000000, 0.0009951100000000 ] - [ -0.0001130800000000, 0.0017102300000000, -0.0005684300000000 ] - [ 0.0000646400000000, -0.0000952600000000, 0.0002682600000000 ] - [ 0.0000161300000000, 0.0000671900000000, 0.0000041200000000 ] - [ -0.0009957300000000, -0.0000174300000000, -0.0008587500000000 ] - [ 0.0000009500000000, -0.0003162000000000, -0.0000607500000000 ] - [ 0.0004450000000000, -0.0009036800000000, -0.0008661900000000 ] - [ -0.0001542200000000, -0.0002545500000000, 0.0005556300000000 ] - [ 0.0009119400000000, -0.0004541300000000, 0.0000930400000000 ] - [ 0.0001249500000000, -0.0001046900000000, 0.0004828600000000 ] - [ -0.0000807800000000, -0.0000446500000000, 0.0009251900000000 ] - [ 0.0000784000000000, -0.0000785300000000, 0.0007306600000000 ] - [ -0.0001780000000000, -0.0000091900000000, 0.0002685700000000 ] - [ -0.0000375300000000, 0.0001908000000000, -0.0002665100000000 ] - [ -0.0001658500000000, -0.0000465700000000, 0.0005092900000000 ] - [ 0.0006470700000000, 0.0014046100000000, 0.0005534400000000 ] - [ -0.0211691400000000, -0.0372395300000000, 0.0241520800000000 ] - [ -0.0000282000000000, -0.0003342800000000, -0.0003392400000000 ] - [ 0.0000650100000000, 0.0001367800000000, -0.0000289100000000 ] - [ -0.0000809500000000, -0.0000818300000000, 0.0001672600000000 ] - [ 0.0000069100000000, 0.0000083400000000, 0.0005841000000000 ] - [ -0.0002219800000000, -0.0000026000000000, 0.0004498000000000 ] - [ 0.0001611200000000, -0.0000165200000000, -0.0005365000000000 ] - [ -0.0000128500000000, -0.0000113300000000, 0.0004085000000000 ] - [ -0.0024271800000000, -0.0041748600000000, -0.0003991500000000 ] - [ 0.0001089400000000, 0.0002040900000000, 0.0004491500000000 ] - [ 0.0001129300000000, 0.0001493800000000, -0.0000347400000000 ] - [ 0.0001132400000000, 0.0000370600000000, -0.0000266800000000 ] - [ -0.0004554500000000, -0.0007142000000000, 0.0006619500000000 ] - [ -0.0000726600000000, 0.0001708400000000, -0.0005472800000000 ] - [ -0.0000700700000000, -0.0001192200000000, 0.0001135600000000 ] - [ 0.0001101000000000, -0.0001809200000000, 0.0007871400000000 ] - [ -0.0000121000000000, 0.0000696500000000, -0.0000419800000000 ] - [ 0.0001626600000000, -0.0000072700000000, 0.0001680700000000 ] - [ -0.0000022300000000, -0.0000157000000000, 0.0004109400000000 ] - [ 0.0000549000000000, 0.0001893700000000, 0.0022263500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001154100000000, 0.0001139200000000, 0.0000876600000000 ] - [ 0.0000588600000000, -0.0000414300000000, -0.0006554900000000 ] - [ -0.0013068500000000, 0.0020264200000000, 0.0022436900000000 ] - [ -0.0002534700000000, -0.0005701200000000, -0.0009253300000000 ] - [ -0.0001277600000000, 0.0002314100000000, 0.0002300700000000 ] - [ -0.0001515400000000, -0.0002537700000000, 0.0005526500000000 ] - [ 0.0002247100000000, 0.0000017600000000, 0.0003344600000000 ] - [ -0.0001183300000000, -0.0002022900000000, 0.0001411900000000 ] - [ 0.0001134400000000, -0.0001531800000000, 0.0007298500000000 ] - [ -0.0001071600000000, 0.0001970000000000, 0.0003343000000000 ] - [ -0.0020455000000000, -0.0003894700000000, -0.0029388700000000 ] - [ -0.0000816000000000, -0.0002405200000000, 0.0002280900000000 ] - [ -0.0002178700000000, -0.0004188900000000, -0.0000115300000000 ] - [ 0.0001521900000000, 0.0001891000000000, 0.0009367900000000 ] - [ 0.0002237400000000, -0.0000529400000000, 0.0002197200000000 ] - [ -0.0000626000000000, 0.0001572500000000, -0.0010320700000000 ] - [ 0.0006800400000000, -0.0018234200000000, -0.0032569800000000 ] - [ 0.0003138800000000, -0.0002728500000000, -0.0006246900000000 ] - [ 0.0000028100000000, 0.0001240200000000, -0.0002367300000000 ] - [ -0.0003808500000000, 0.0001043500000000, 0.0003407900000000 ] - [ 0.0003316100000000, 0.0000253600000000, 0.0005027100000000 ] - [ 0.0014160300000000, 0.0008888700000000, -0.0001903600000000 ] - [ -0.0013402400000000, -0.0025844900000000, 0.0021707200000000 ] - [ -0.0000967400000000, 0.0000109700000000, 0.0000556300000000 ] - [ -0.0006240500000000, -0.0005213000000000, 0.0002380900000000 ] - [ -0.0002640200000000, 0.0000426000000000, 0.0000345600000000 ] - [ -0.0000069000000000, 0.0000673400000000, 0.0000948900000000 ] - [ -0.0000616900000000, -0.0000658100000000, 0.0005132000000000 ] - [ -0.0000026200000000, 0.0001407600000000, 0.0000922100000000 ] - [ -0.0000167500000000, 0.0001254800000000, 0.0005444000000000 ] - [ 0.0003414800000000, -0.0000386100000000, 0.0003909700000000 ] - [ 0.0002297800000000, 0.0000024200000000, 0.0001360900000000 ] - [ 0.0000915200000000, 0.0000289000000000, 0.0005097400000000 ] - [ -0.0002707000000000, -0.0000225900000000, 0.0009109000000000 ] - [ 0.0002768100000000, 0.0000498900000000, 0.0003163000000000 ] - [ -0.0000145400000000, 0.0000444500000000, -0.0010135100000000 ] - [ -0.0002258000000000, 0.0004292400000000, 0.0005181800000000 ] - [ -0.0000719100000000, 0.0002198300000000, 0.0002198200000000 ] - [ -0.0001962600000000, -0.0003164600000000, 0.0003536300000000 ] - [ -0.0000997400000000, -0.0001191400000000, 0.0003209600000000 ] - [ 0.0003135500000000, 0.0002483200000000, -0.0001308000000000 ] - [ 0.0000576400000000, -0.0000497500000000, -0.0006540100000000 ] - [ 0.0001837000000000, -0.0001505300000000, 0.0001360300000000 ] - [ -0.0001276700000000, 0.0001520600000000, 0.0003566400000000 ] - [ 0.0001575100000000, -0.0002084300000000, -0.0002459000000000 ] - [ 0.0027039300000000, -0.0002937400000000, 0.0021256000000000 ] - [ 0.0000073600000000, 0.0003554400000000, -0.0001311300000000 ] - [ -0.0003885700000000, -0.0005313500000000, -0.0029674900000000 ] - [ -0.0001529100000000, -0.0008077600000000, 0.0000237800000000 ] - [ 0.0002153300000000, -0.0003147300000000, 0.0004595600000000 ] - [ -0.0000972900000000, 0.0000449500000000, 0.0005054600000000 ] - [ -0.0000997600000000, -0.0000563300000000, 0.0000899400000000 ] - [ -0.0005574000000000, 0.0000371500000000, -0.0006171900000000 ] - [ -0.0001645100000000, 0.0001831400000000, 0.0002208000000000 ] - [ -0.0000133900000000, 0.0001143300000000, 0.0000446300000000 ] - [ 0.0000930400000000, -0.0000177300000000, -0.0002336500000000 ] - [ -0.0000952200000000, -0.0002019800000000, 0.0003259700000000 ] - [ -0.0000530000000000, -0.0000145900000000, 0.0000767500000000 ] - [ -0.0002175100000000, 0.0000055800000000, -0.0000085000000000 ] - [ 0.0000261300000000, 0.0015682600000000, 0.0000157500000000 ] - [ 0.0001049200000000, -0.0000215300000000, -0.0000148500000000 ] - [ -0.0001719100000000, -0.0002066600000000, 0.0003137700000000 ] - [ 0.0001874600000000, 0.0000128800000000, 0.0003580700000000 ] - [ 0.0013178800000000, -0.0022306100000000, -0.0008683300000000 ] - [ 0.0429478400000000, 0.0757309100000000, -0.1171442800000000 ] - [ -0.0001641400000000, 0.0000488800000000, 0.0012358700000000 ] - [ -0.0002016600000000, -0.0003550200000000, -0.0009502200000000 ] - [ 0.0000975100000000, 0.0000250700000000, 0.0002263900000000 ] - [ -0.0028425500000000, 0.0032579000000000, 0.0005863200000000 ] - [ -0.0003393700000000, 0.0005331200000000, 0.0014543100000000 ] - [ 0.0001062900000000, -0.0001431900000000, 0.0008263500000000 ] - [ 0.0000685500000000, 0.0002120100000000, 0.0008248700000000 ] - [ -0.0002147000000000, 0.0000162200000000, 0.0008934400000000 ] - [ -0.0004596300000000, -0.0001406800000000, 0.0002599200000000 ] - [ 0.0000317900000000, 0.0000671700000000, 0.0011099900000000 ] - [ 0.0001484600000000, -0.0002272400000000, 0.0008190500000000 ] - [ 0.0012001600000000, 0.0021722100000000, 0.0006683900000000 ] - [ -0.0024756600000000, 0.0000741800000000, -0.0008483000000000 ] - [ 0.0004154400000000, -0.0000521100000000, 0.0041313600000000 ] - [ -0.0003645200000000, -0.0001410000000000, -0.0016131800000000 ] - [ -0.0002178500000000, -0.0003818400000000, 0.0007113200000000 ] - [ 0.0004506200000000, -0.0000102400000000, 0.0005931100000000 ] - [ 0.0032280400000000, -0.0010923500000000, -0.0001291300000000 ] - [ 0.0000297500000000, -0.0006098000000000, -0.0015862800000000 ] - [ 0.0003368600000000, 0.0005775200000000, 0.0004358300000000 ] - [ -0.0007936200000000, 0.0000875000000000, 0.0005768800000000 ] - [ 0.0005069500000000, -0.0006501800000000, 0.0005615100000000 ] - [ -0.0007771200000000, 0.0006208000000000, 0.0000791000000000 ] - [ -0.0582946000000000, -0.1021228100000000, 0.1194750600000000 ] - [ -0.0004186000000000, -0.0002806300000000, 0.0000698000000000 ] - [ 0.0001415600000000, 0.0002380900000000, -0.0000564900000000 ] - [ 0.0002288400000000, 0.0002270800000000, -0.0007428000000000 ] - [ 0.0001548200000000, 0.0002288300000000, -0.0002223400000000 ] - [ -0.0000164400000000, 0.0000803900000000, -0.0002419500000000 ] - [ 0.0001852800000000, 0.0001822200000000, -0.0004187900000000 ] - [ -0.0011585600000000, 0.0006860100000000, 0.0003696300000000 ] - [ 0.0000064000000000, -0.0000415700000000, -0.0005191100000000 ] - [ -0.0001272400000000, -0.0005822100000000, 0.0000295300000000 ] - [ 0.0006270100000000, -0.0000898500000000, 0.0001486100000000 ] - [ 0.0005762000000000, -0.0006069300000000, -0.0001008800000000 ] - [ 0.0001266500000000, -0.0002983100000000, -0.0006868500000000 ] - [ 0.0004199600000000, -0.0000950100000000, 0.0007539100000000 ] - [ -0.0002059200000000, 0.0000061900000000, -0.0006845600000000 ] - [ 0.0006428400000000, 0.0010629200000000, -0.0003222900000000 ] - [ -0.0020176200000000, 0.0011698800000000, -0.0001343800000000 ] - [ 0.0001839100000000, 0.0003257200000000, -0.0005452900000000 ] - [ 0.0023559400000000, 0.0000223000000000, 0.0000558400000000 ] - [ -0.0000627100000000, 0.0000860700000000, -0.0004208900000000 ] - [ -0.0000173000000000, -0.0000276700000000, -0.0002970900000000 ] - [ 0.0000740300000000, 0.0003421300000000, -0.0012964500000000 ] - [ -0.0000446000000000, 0.0000642700000000, -0.0004665400000000 ] - [ -0.0003123600000000, -0.0085839500000000, 0.0162841700000000 ] - [ -0.0002987000000000, 0.0004876600000000, 0.0007796100000000 ] - [ 0.0000003500000000, -0.0000014800000000, -0.0007114100000000 ] - [ 0.0005592400000000, -0.0000351700000000, 0.0002896900000000 ] - [ 0.0004690900000000, -0.0005759100000000, 0.0000299700000000 ] - [ 0.0003634800000000, 0.0001472500000000, 0.0006054400000000 ] - [ -0.0007089500000000, 0.0001422700000000, 0.0001820800000000 ] - [ -0.0002344400000000, 0.0000001600000000, -0.0005421200000000 ] - [ 0.0002304900000000, -0.0002916200000000, -0.0007707900000000 ] - [ -0.0004121600000000, -0.0000042500000000, -0.0004977600000000 ] - [ 0.0001942800000000, 0.0003481100000000, -0.0004919500000000 ] - [ -0.0010422100000000, 0.0000605000000000, -0.0013816300000000 ] - [ 0.0004200300000000, 0.0000375600000000, 0.0003226100000000 ] - [ 0.0001368800000000, 0.0000273500000000, 0.0008667200000000 ] - [ 0.0004782300000000, -0.0009429000000000, -0.0012764200000000 ] - [ -0.0002027700000000, -0.0002323200000000, -0.0001628700000000 ] - [ -0.0003151800000000, -0.0000668800000000, -0.0006833100000000 ] - [ -0.0012650100000000, 0.0020252000000000, 0.0000555400000000 ] - [ -0.0000741500000000, 0.0002664100000000, 0.0008822200000000 ] - [ 0.0002152000000000, -0.0003628800000000, -0.0004992400000000 ] - [ 0.0001676700000000, -0.0000593300000000, -0.0004121900000000 ] - [ -0.0070486600000000, -0.0044596100000000, 0.0173132300000000 ] - [ 0.0000181800000000, 0.0000037400000000, -0.0001182900000000 ] - [ -0.0006402100000000, -0.0008824800000000, -0.0036024600000000 ] - [ -0.0002607700000000, 0.0000143200000000, 0.0000364300000000 ] - [ 0.0002263000000000, 0.0001044500000000, -0.0003211700000000 ] - [ -0.0001215800000000, 0.0003151200000000, -0.0001927900000000 ] - [ -0.0001255700000000, -0.0000672900000000, -0.0004045300000000 ] - [ 0.0000796600000000, -0.0001608800000000, -0.0005494000000000 ] - [ -0.0001509500000000, 0.0000060800000000, -0.0002104900000000 ] - [ 0.0000207300000000, -0.0000084600000000, -0.0007681800000000 ] - [ 0.0000653600000000, -0.0001024300000000, -0.0011694600000000 ] - [ -0.0002053800000000, -0.0005738500000000, 0.0001352600000000 ] - [ -0.0000790000000000, 0.0000211700000000, -0.0003985700000000 ] - [ 0.0000567400000000, 0.0005157600000000, 0.0010416500000000 ] - [ -0.0000424500000000, 0.0003538300000000, 0.0002856500000000 ] - [ 0.0000041300000000, 0.0000642000000000, -0.0003942300000000 ] - [ 0.0001200400000000, 0.0001876200000000, -0.0005214400000000 ] - [ -0.0000440300000000, 0.0000371800000000, 0.0008635700000000 ] - [ -0.0007939600000000, -0.0015276400000000, -0.0001537000000000 ] - [ 0.0001284400000000, 0.0002811100000000, 0.0003620900000000 ] - [ 0.0000124700000000, 0.0000249000000000, 0.0010202600000000 ] - [ 0.0035518800000000, -0.0021156400000000, -0.0019554200000000 ] - [ 0.0009003500000000, -0.0002384200000000, -0.0004107900000000 ] - [ 0.0002023500000000, -0.0003546600000000, -0.0005153600000000 ] - [ 0.0001231100000000, 0.0002405900000000, -0.0006533900000000 ] - [ -0.0006731000000000, 0.0000523400000000, -0.0001250000000000 ] - [ -0.0000072700000000, 0.0000107100000000, -0.0004356300000000 ] - [ 0.0003393300000000, -0.0005737700000000, -0.0001170300000000 ] - [ 0.0000655700000000, 0.0001125200000000, -0.0002378200000000 ] - [ -0.0003222000000000, 0.0002159600000000, 0.0002896900000000 ] - [ -0.0002101700000000, 0.0002421800000000, -0.0001633200000000 ] - [ 0.0000367400000000, -0.0000320700000000, -0.0004669000000000 ] - [ -0.0000803900000000, 0.0000725700000000, -0.0008101700000000 ] - [ -0.0003636800000000, -0.0000063500000000, -0.0005175500000000 ] - [ -0.0000217300000000, 0.0002634600000000, 0.0008113600000000 ] - [ 0.0003269600000000, 0.0000419000000000, -0.0001895300000000 ] - [ -0.0011491100000000, -0.0017819300000000, -0.0001743900000000 ] - [ 0.0215650900000000, 0.0381725300000000, -0.0254564100000000 ] - [ -0.0000314300000000, -0.0001076500000000, 0.0008807500000000 ] - [ -0.0000208300000000, -0.0002222300000000, -0.0000256400000000 ] - [ -0.0000355300000000, -0.0001204100000000, 0.0000354100000000 ] - [ -0.0000103200000000, -0.0000250600000000, -0.0004261300000000 ] - [ -0.0002354700000000, 0.0000083400000000, -0.0001118100000000 ] - [ -0.0001236600000000, -0.0000438800000000, 0.0005550900000000 ] - [ 0.0000097800000000, 0.0000057500000000, -0.0002532700000000 ] - [ 0.0023498200000000, 0.0041370900000000, 0.0004301800000000 ] - [ 0.0001240100000000, 0.0001994200000000, -0.0001124800000000 ] - [ -0.0000705700000000, -0.0000738500000000, -0.0000257400000000 ] - [ -0.0000949600000000, -0.0000065700000000, -0.0006751900000000 ] - [ 0.0003552300000000, 0.0007012200000000, -0.0007082900000000 ] - [ 0.0000821000000000, -0.0001212900000000, 0.0005622700000000 ] - [ 0.0000543300000000, 0.0001254800000000, -0.0008182000000000 ] - [ 0.0001236100000000, -0.0002121900000000, -0.0004496400000000 ] - [ 0.0000258200000000, -0.0000782100000000, -0.0006644700000000 ] - [ 0.0000768800000000, 0.0000098200000000, 0.0000331600000000 ] - [ -0.0000108200000000, 0.0000039600000000, -0.0002540600000000 ] - [ -0.0001736000000000, 0.0000183300000000, -0.0020319900000000 ]- atom: 90 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0006844600000000, -0.0011246800000000, 0.0001327800000000 ] - [ 0.0004104300000000, 0.0000972400000000, 0.0002797500000000 ] - [ 0.0002091100000000, 0.0006687500000000, -0.0001256700000000 ] - [ -0.0008577300000000, -0.0003255000000000, 0.0011034000000000 ] - [ -0.0001724400000000, 0.0003245300000000, -0.0002641200000000 ] - [ -0.0001539200000000, -0.0001682400000000, 0.0000536800000000 ] - [ 0.0002572700000000, -0.0000413600000000, 0.0000430300000000 ] - [ -0.0000816400000000, -0.0002580300000000, -0.0004310300000000 ] - [ -0.0005031700000000, -0.0001380200000000, 0.0000324800000000 ] - [ -0.0000682800000000, 0.0002016400000000, 0.0000795600000000 ] - [ -0.0012961800000000, 0.0009840000000000, -0.0000813900000000 ] - [ 0.0000020500000000, -0.0001380500000000, 0.0004547600000000 ] - [ -0.0001258600000000, -0.0001813500000000, -0.0002177200000000 ] - [ -0.0010115100000000, 0.0003359600000000, 0.0003408100000000 ] - [ 0.0002237200000000, -0.0001178000000000, -0.0003712900000000 ] - [ 0.0003485000000000, -0.0000073000000000, 0.0002332500000000 ] - [ 0.0010437500000000, 0.0001939700000000, 0.0013502300000000 ] - [ -0.0001190400000000, 0.0003223100000000, 0.0001847100000000 ] - [ 0.0000978400000000, 0.0000827600000000, -0.0000872800000000 ] - [ -0.0001413600000000, 0.0002501700000000, -0.0002279600000000 ] - [ 0.0002369100000000, -0.0000063600000000, 0.0000480500000000 ] - [ 0.0001794200000000, 0.0000546000000000, 0.0001195100000000 ] - [ -0.0001794800000000, -0.0004787600000000, 0.0001081300000000 ] - [ 0.0014914100000000, 0.0002331700000000, -0.0001709700000000 ] - [ -0.0001242100000000, 0.0000825900000000, 0.0002667900000000 ] - [ -0.0001334300000000, -0.0002186000000000, -0.0002425700000000 ] - [ -0.0000208500000000, 0.0000997800000000, -0.0001080900000000 ] - [ 0.0003615100000000, 0.0006599500000000, 0.0006295800000000 ] - [ -0.0004578700000000, -0.0034634100000000, 0.0006749200000000 ] - [ 0.0004234100000000, -0.0006669400000000, -0.0031088400000000 ] - [ 0.0003361000000000, 0.0000429700000000, 0.0000985400000000 ] - [ 0.0005111700000000, 0.0000405700000000, -0.0001224500000000 ] - [ 0.0006097000000000, -0.0005986800000000, -0.0001149200000000 ] - [ 0.0000951200000000, -0.0001156500000000, 0.0002208000000000 ] - [ -0.0000129600000000, 0.0000376300000000, 0.0001801600000000 ] - [ -0.0002353200000000, -0.0004658600000000, -0.0001150700000000 ] - [ -0.0002293500000000, 0.0003058800000000, 0.0000834800000000 ] - [ -0.0001690400000000, 0.0004677800000000, -0.0000326900000000 ] - [ -0.0001625600000000, -0.0003800200000000, 0.0000769100000000 ] - [ 0.0002305000000000, -0.0009456900000000, -0.0002516900000000 ] - [ 0.0002086500000000, 0.0000388900000000, -0.0002433800000000 ] - [ 0.0004992200000000, -0.0004973600000000, -0.0001986200000000 ] - [ -0.0000224600000000, -0.0000907900000000, -0.0001127000000000 ] - [ -0.0001219700000000, 0.0002102700000000, 0.0000237800000000 ] - [ 0.0000452900000000, -0.0000558800000000, -0.0000602700000000 ] - [ -0.0013927400000000, -0.0009113700000000, -0.0002171600000000 ] - [ -0.0001353300000000, 0.0001544900000000, -0.0002329800000000 ] - [ -0.0001625800000000, 0.0000414000000000, 0.0002386000000000 ] - [ -0.0001292500000000, 0.0000608000000000, 0.0003562900000000 ] - [ 0.0001163300000000, 0.0000187800000000, -0.0000777200000000 ] - [ 0.0010477000000000, -0.0002874100000000, 0.0008401700000000 ] - [ 0.0003636400000000, 0.0043811100000000, -0.0005277600000000 ] - [ -0.0000918200000000, -0.0002402900000000, 0.0001915100000000 ] - [ -0.0000086600000000, -0.0001385400000000, 0.0000689800000000 ] - [ 0.0035700900000000, -0.0013501700000000, 0.0004713100000000 ] - [ 0.0002415100000000, -0.0001302900000000, 0.0001751500000000 ] - [ -0.0000944300000000, -0.0001673500000000, 0.0000583900000000 ] - [ -0.0035621400000000, 0.0046936700000000, 0.0009991300000000 ] - [ -0.0000460900000000, -0.0002630200000000, 0.0004105600000000 ] - [ -0.0001267700000000, 0.0001294200000000, 0.0003326500000000 ] - [ 0.0002598600000000, -0.0000628600000000, -0.0002471600000000 ] - [ -0.0002298600000000, -0.0002498800000000, -0.0001976500000000 ] - [ -0.0006545100000000, 0.0024050300000000, 0.0016734700000000 ] - [ 0.0011398500000000, 0.0001960600000000, 0.0000776400000000 ] - [ 0.0000560500000000, 0.0009222400000000, -0.0001448200000000 ] - [ -0.0000179800000000, -0.0000337500000000, 0.0006534200000000 ] - [ -0.0002609000000000, -0.0000489100000000, -0.0002292500000000 ] - [ 0.0001838300000000, 0.0001731700000000, 0.0002533000000000 ] - [ -0.0001569200000000, -0.0000095300000000, -0.0006017600000000 ] - [ 0.0022264100000000, 0.0020360100000000, -0.0003995300000000 ] - [ 0.0000983400000000, 0.0000405900000000, -0.0002230000000000 ] - [ 0.0004677300000000, -0.0001318800000000, -0.0000257300000000 ] - [ -0.0007920600000000, 0.0003582100000000, -0.0003992600000000 ] - [ -0.0002798700000000, 0.0000480600000000, -0.0000899100000000 ] - [ -0.0000418600000000, 0.0000109200000000, 0.0000618400000000 ] - [ 0.0002231100000000, -0.0002856100000000, -0.0001606900000000 ] - [ -0.1611353700000000, 0.0759205500000000, -0.0415961900000000 ] - [ 0.0013069300000000, -0.0023825800000000, -0.0002743300000000 ] - [ 0.0001065600000000, -0.0002181000000000, 0.0001488300000000 ] - [ -0.0001380200000000, 0.0004204200000000, -0.0044918900000000 ] - [ -0.0019598400000000, 0.0004175700000000, -0.0028091900000000 ] - [ -0.0007285000000000, -0.0035289700000000, 0.0039545100000000 ] - [ 0.0003315400000000, 0.0000553200000000, 0.0008015200000000 ] - [ 0.0007272300000000, -0.0013652200000000, 0.0024692400000000 ] - [ 0.0006746700000000, 0.0003659500000000, -0.0004949000000000 ] - [ 0.0001592800000000, 0.0012869000000000, 0.0009540200000000 ] - [ -0.0010869800000000, -0.0004737500000000, -0.0000770200000000 ] - [ -0.0000885100000000, -0.0000186000000000, -0.0000030600000000 ] - [ 0.0000477900000000, -0.0006596600000000, 0.0001478600000000 ] - [ 0.2061453200000000, -0.0714770600000000, 0.0567693400000000 ] - [ 0.0010393900000000, 0.0007144500000000, 0.0019303800000000 ] - [ 0.0001493200000000, 0.0002430000000000, -0.0004859000000000 ] - [ 0.0000929400000000, 0.0002138300000000, -0.0001445200000000 ] - [ -0.0001248500000000, -0.0000186200000000, -0.0000631900000000 ] - [ 0.0001167500000000, 0.0000403900000000, -0.0002520900000000 ] - [ -0.0002179600000000, -0.0000388700000000, -0.0007500400000000 ] - [ 0.0007276500000000, -0.0006457500000000, 0.0004495300000000 ] - [ -0.0499912800000000, 0.0085041600000000, -0.0065309800000000 ] - [ -0.0008273500000000, -0.0003864600000000, 0.0002144600000000 ] - [ -0.0007771000000000, 0.0000475500000000, -0.0003738100000000 ] - [ 0.0001061600000000, -0.0001323000000000, -0.0003450700000000 ] - [ -0.0003906900000000, 0.0004089800000000, 0.0002452800000000 ] - [ -0.0002486800000000, 0.0000353100000000, -0.0004775700000000 ] - [ 0.0006081000000000, 0.0007637500000000, -0.0006390300000000 ] - [ -0.0002383800000000, -0.0000255600000000, -0.0000167900000000 ] - [ 0.0002146400000000, 0.0000423700000000, -0.0000462100000000 ] - [ -0.0003973300000000, 0.0005748500000000, 0.0001695000000000 ] - [ -0.0000695600000000, 0.0000808300000000, -0.0000252900000000 ] - [ -0.0000907400000000, -0.0000732200000000, -0.0004111400000000 ] - [ 0.0000249900000000, 0.0001546300000000, -0.0003201900000000 ] - [ -0.0000634700000000, 0.0001179600000000, 0.0001856300000000 ] - [ 0.0003464300000000, -0.0004933900000000, -0.0001763400000000 ] - [ -0.0002606900000000, 0.0000578500000000, 0.0000647200000000 ] - [ 0.0000345200000000, -0.0000127200000000, 0.0000296500000000 ] - [ -0.0015397900000000, 0.0017685900000000, 0.0006299500000000 ] - [ 0.0000285800000000, -0.0000059200000000, 0.0008153800000000 ] - [ 0.0006350100000000, -0.0002662000000000, 0.0007492300000000 ] - [ -0.0000983600000000, -0.0000280700000000, -0.0000047900000000 ] - [ 0.0003538500000000, -0.0001534000000000, -0.0001634400000000 ] - [ 0.0001254600000000, -0.0002162600000000, -0.0004741300000000 ] - [ -0.0003709400000000, 0.0000897100000000, -0.0001514700000000 ] - [ 0.0000830700000000, 0.0001915400000000, -0.0001824500000000 ] - [ -0.0001395000000000, 0.0000812600000000, -0.0003094700000000 ] - [ -0.0002955500000000, 0.0009527900000000, 0.0001925400000000 ] - [ -0.0016298300000000, -0.0007035300000000, 0.0032377600000000 ] - [ 0.0001192600000000, -0.0001669000000000, -0.0001195500000000 ] - [ -0.0001223700000000, 0.0015737200000000, -0.0012729000000000 ] - [ -0.0001267300000000, -0.0000264500000000, -0.0003313200000000 ] - [ -0.0002186700000000, 0.0004607300000000, 0.0003501600000000 ] - [ -0.0009854700000000, 0.0004313500000000, -0.0003000400000000 ] - [ -0.0000922900000000, -0.0000674600000000, -0.0002079500000000 ] - [ 0.0001220800000000, -0.0000834000000000, -0.0002648200000000 ] - [ -0.0002741900000000, -0.0002422200000000, 0.0002916700000000 ] - [ -0.0006073900000000, -0.0000188000000000, 0.0005709500000000 ] - [ -0.0000501700000000, 0.0001022800000000, -0.0003203500000000 ] - [ -0.0000228400000000, 0.0028378800000000, -0.0017586800000000 ] - [ 0.0001443700000000, -0.0000197900000000, -0.0001207700000000 ] - [ 0.0007901400000000, -0.0010224000000000, 0.0006124500000000 ] - [ -0.0001996800000000, -0.0000554300000000, -0.0003416200000000 ] - [ 0.0000844100000000, -0.0000110200000000, -0.0002037100000000 ] - [ 0.0011412300000000, 0.0005511200000000, -0.0007752300000000 ] - [ 0.0000159500000000, 0.0000433100000000, -0.0004584800000000 ] - [ -0.0003912500000000, -0.0003844600000000, 0.0000820100000000 ] - [ -0.0019183000000000, -0.0015981100000000, 0.0016024100000000 ] - [ 0.0000333900000000, -0.0000124100000000, -0.0000499900000000 ] - [ -0.0000838100000000, 0.0004691600000000, -0.0003297700000000 ] - [ -0.0005731100000000, -0.0009080000000000, 0.0003753500000000 ] - [ -0.0000891100000000, -0.0001197600000000, -0.0000082600000000 ] - [ -0.0000176400000000, 0.0002820400000000, -0.0002186900000000 ] - [ -0.0006198900000000, 0.0010862800000000, -0.0019404600000000 ] - [ -0.0021593900000000, -0.0138898300000000, -0.0078881600000000 ] - [ 0.0002664400000000, 0.0010817000000000, -0.0007727000000000 ] - [ 0.0000469000000000, 0.0000124400000000, 0.0006490100000000 ] - [ 0.0005572700000000, -0.0007601300000000, -0.0004357600000000 ] - [ 0.0004322200000000, 0.0007957000000000, -0.0004367100000000 ] - [ 0.0003480100000000, -0.0005519500000000, -0.0001620900000000 ] - [ 0.0000859900000000, 0.0001360300000000, -0.0003396100000000 ] - [ -0.0006916800000000, -0.0000182300000000, -0.0005229600000000 ] - [ -0.0000049200000000, -0.0001475100000000, -0.0003327800000000 ] - [ 0.0004695200000000, -0.0007409200000000, -0.0006161400000000 ] - [ 0.0005260500000000, 0.0002614400000000, 0.0007925600000000 ] - [ -0.0006018800000000, 0.0002077300000000, 0.0001615400000000 ] - [ -0.0007840600000000, 0.0019401900000000, -0.0009469400000000 ] - [ -0.0002579300000000, 0.0001364900000000, 0.0000930500000000 ] - [ -0.0000279300000000, -0.0000119700000000, -0.0001327800000000 ] - [ -0.0004650500000000, 0.0000432300000000, -0.0002076900000000 ] - [ -0.0003778000000000, -0.0006088000000000, 0.0013820800000000 ] - [ 0.0008831700000000, 0.0002728600000000, 0.0007980400000000 ] - [ 0.0182382300000000, -0.0088521300000000, 0.0004713500000000 ] - [ 0.0000532500000000, -0.0001606800000000, -0.0000879000000000 ] - [ -0.0003418400000000, 0.0001554700000000, 0.0012411200000000 ] - [ 0.0000136900000000, -0.0000346400000000, -0.0000572200000000 ] - [ -0.0012099700000000, 0.0023353700000000, 0.0010769500000000 ] - [ 0.0000433800000000, -0.0000098300000000, 0.0000227800000000 ] - [ -0.0005903900000000, -0.0003119700000000, -0.0005362900000000 ] - [ -0.0000947100000000, -0.0000723500000000, 0.0000279700000000 ] - [ -0.0000289500000000, 0.0000559700000000, 0.0000971900000000 ] - [ 0.0002556000000000, -0.0001110000000000, -0.0007512200000000 ] - [ -0.0001235100000000, 0.0006092700000000, 0.0006268100000000 ] - [ -0.0000201000000000, 0.0000700600000000, -0.0000588900000000 ] - [ -0.0000215200000000, 0.0000301200000000, -0.0004093500000000 ] - [ 0.0000111100000000, -0.0000437000000000, -0.0001722700000000 ] - [ -0.0001253600000000, 0.0002028500000000, 0.0000511700000000 ] - [ 0.0000219600000000, -0.0000238200000000, -0.0004172600000000 ] - [ 0.0003896900000000, -0.0001932200000000, 0.0001495800000000 ] - [ 0.0000035000000000, 0.0000072700000000, -0.0004058500000000 ] - [ -0.0061778000000000, -0.0017694400000000, -0.0022630500000000 ] - [ -0.0000148900000000, -0.0000611000000000, -0.0000806600000000 ] - [ 0.0002233100000000, 0.0000812900000000, 0.0002434500000000 ]- atom: 90 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0006318400000000, 0.0015414200000000, 0.0002990500000000 ] - [ -0.0005209400000000, 0.0001263000000000, 0.0000525900000000 ] - [ -0.0002333600000000, -0.0005570900000000, 0.0004081300000000 ] - [ 0.0008678400000000, 0.0000404500000000, -0.0008460700000000 ] - [ -0.0000763900000000, 0.0001233400000000, -0.0001809600000000 ] - [ -0.0000679200000000, -0.0002159200000000, -0.0000604100000000 ] - [ 0.0001960900000000, 0.0000450800000000, -0.0000530800000000 ] - [ -0.0001776800000000, -0.0001933200000000, -0.0000077200000000 ] - [ 0.0003727400000000, 0.0003821200000000, 0.0000839700000000 ] - [ -0.0001655600000000, 0.0001888200000000, -0.0000901100000000 ] - [ 0.0012966700000000, -0.0006827700000000, 0.0003224500000000 ] - [ -0.0001407400000000, -0.0002978800000000, -0.0007028100000000 ] - [ -0.0000718700000000, -0.0002233100000000, -0.0003659700000000 ] - [ 0.0010401400000000, -0.0004849200000000, 0.0001404300000000 ] - [ 0.0002091500000000, 0.0000094000000000, 0.0001127200000000 ] - [ -0.0004625600000000, -0.0001969100000000, 0.0001049100000000 ] - [ -0.0007761800000000, -0.0001805200000000, -0.0010034900000000 ] - [ 0.0003612200000000, -0.0001633200000000, 0.0000548900000000 ] - [ -0.0001272200000000, 0.0002158000000000, 0.0001936100000000 ] - [ -0.0000526500000000, 0.0001776500000000, -0.0003561200000000 ] - [ 0.0002184900000000, -0.0000012500000000, -0.0000586200000000 ] - [ 0.0000955600000000, 0.0000685700000000, -0.0000112600000000 ] - [ 0.0002344800000000, 0.0000480700000000, 0.0003208100000000 ] - [ -0.0013693100000000, -0.0002244300000000, 0.0004518400000000 ] - [ 0.0004019700000000, -0.0000746100000000, 0.0003186200000000 ] - [ -0.0001181800000000, -0.0001550900000000, -0.0003418500000000 ] - [ -0.0000865300000000, 0.0001037400000000, -0.0002225700000000 ] - [ -0.0005124500000000, -0.0007097900000000, -0.0001273800000000 ] - [ 0.0008066700000000, 0.0037250900000000, -0.0002443200000000 ] - [ -0.0003989300000000, 0.0008220200000000, 0.0036187300000000 ] - [ 0.0004121900000000, -0.0000545800000000, -0.0000568100000000 ] - [ 0.0000027000000000, -0.0000332300000000, -0.0003223100000000 ] - [ -0.0004838700000000, 0.0006902400000000, 0.0006143900000000 ] - [ 0.0000391700000000, 0.0000084200000000, 0.0002735500000000 ] - [ 0.0004481400000000, 0.0000671100000000, -0.0004389200000000 ] - [ -0.0000149600000000, 0.0003416700000000, 0.0003576600000000 ] - [ -0.0001553700000000, 0.0003364500000000, -0.0000413000000000 ] - [ 0.0000399300000000, -0.0000365200000000, -0.0002271900000000 ] - [ -0.0002146400000000, -0.0002742500000000, -0.0000383700000000 ] - [ -0.0003564700000000, 0.0007205700000000, 0.0003780800000000 ] - [ 0.0002585500000000, 0.0000073400000000, -0.0003411900000000 ] - [ -0.0002632200000000, 0.0003136200000000, 0.0004367500000000 ] - [ -0.0000859800000000, -0.0000979400000000, -0.0002245200000000 ] - [ -0.0001008400000000, 0.0001837300000000, -0.0000343000000000 ] - [ -0.0000772000000000, -0.0002506000000000, 0.0001573300000000 ] - [ 0.0017085300000000, 0.0006722400000000, 0.0006471900000000 ] - [ -0.0001505600000000, 0.0002083200000000, -0.0003494300000000 ] - [ -0.0000871900000000, -0.0002214800000000, -0.0001387100000000 ] - [ -0.0001077200000000, 0.0001151900000000, -0.0002493200000000 ] - [ 0.0001134200000000, -0.0000102300000000, -0.0002516400000000 ] - [ -0.0012006000000000, 0.0003470700000000, -0.0003403800000000 ] - [ -0.0007736900000000, -0.0041673600000000, 0.0009495200000000 ] - [ -0.0001804800000000, 0.0003492500000000, 0.0000495800000000 ] - [ -0.0002995600000000, 0.0004572600000000, -0.0003252400000000 ] - [ -0.0036410900000000, 0.0012339700000000, -0.0002032000000000 ] - [ 0.0000314100000000, 0.0000125100000000, -0.0000699100000000 ] - [ -0.0001273400000000, -0.0002170400000000, -0.0000647600000000 ] - [ 0.0027152200000000, -0.0044685900000000, -0.0004444700000000 ] - [ -0.0000934300000000, 0.0000197300000000, 0.0001718200000000 ] - [ -0.0000071600000000, 0.0001173900000000, 0.0002527600000000 ] - [ 0.0001981500000000, -0.0000037500000000, -0.0003353600000000 ] - [ -0.0000794100000000, -0.0000891300000000, -0.0000545300000000 ] - [ 0.0009147900000000, -0.0023892700000000, -0.0015509400000000 ] - [ -0.0010986800000000, -0.0002843100000000, 0.0005097400000000 ] - [ -0.0001210300000000, -0.0007975300000000, 0.0003935600000000 ] - [ 0.0000242400000000, 0.0000293900000000, -0.0004862000000000 ] - [ 0.0002600000000000, 0.0000466600000000, -0.0007615300000000 ] - [ 0.0000976000000000, 0.0003132100000000, -0.0003508000000000 ] - [ 0.0001534700000000, 0.0000119100000000, -0.0003919900000000 ] - [ -0.0022216300000000, -0.0020587700000000, 0.0013026900000000 ] - [ -0.0000976900000000, -0.0000410600000000, -0.0004506700000000 ] - [ -0.0002275700000000, 0.0005413600000000, -0.0004405400000000 ] - [ 0.0003232900000000, -0.0003586500000000, -0.0000872600000000 ] - [ -0.0002866600000000, -0.0000475500000000, -0.0000080800000000 ] - [ 0.0000337900000000, -0.0000075500000000, 0.0001019700000000 ] - [ 0.0000067400000000, -0.0001169900000000, -0.0003132800000000 ] - [ 0.1649881400000000, -0.0747058100000000, 0.0438691200000000 ] - [ -0.0012315600000000, 0.0024724300000000, 0.0008652500000000 ] - [ 0.0001766100000000, -0.0002716800000000, -0.0002452200000000 ] - [ 0.0002624100000000, -0.0004182400000000, 0.0047026900000000 ] - [ 0.0019805700000000, -0.0004311100000000, 0.0022082900000000 ] - [ 0.0007007800000000, 0.0035234100000000, -0.0045068200000000 ] - [ -0.0003272800000000, -0.0000546300000000, -0.0000969400000000 ] - [ -0.0007860200000000, 0.0012323700000000, -0.0022496600000000 ] - [ -0.0006754900000000, -0.0003657100000000, 0.0002558500000000 ] - [ -0.0001580400000000, -0.0012804400000000, -0.0011831900000000 ] - [ 0.0010831500000000, 0.0004832700000000, 0.0004065000000000 ] - [ 0.0002042300000000, -0.0001789400000000, 0.0002542300000000 ] - [ 0.0003758500000000, 0.0008294300000000, 0.0003949900000000 ] - [ -0.2099109600000000, 0.0701323400000000, -0.0581027300000000 ] - [ -0.0010424700000000, -0.0007140800000000, -0.0008599400000000 ] - [ 0.0000482500000000, 0.0000318500000000, -0.0001643600000000 ] - [ 0.0000643700000000, 0.0000588300000000, 0.0000507000000000 ] - [ -0.0001799800000000, 0.0000261200000000, -0.0000293400000000 ] - [ 0.0001518600000000, 0.0001107600000000, -0.0002457400000000 ] - [ 0.0002143300000000, 0.0000364500000000, -0.0000687700000000 ] - [ -0.0006445900000000, 0.0006418100000000, 0.0000123900000000 ] - [ 0.0508237500000000, -0.0085138700000000, 0.0069329500000000 ] - [ 0.0019324100000000, 0.0003950500000000, 0.0005892300000000 ] - [ -0.0008840400000000, -0.0001004500000000, -0.0005943800000000 ] - [ 0.0000956700000000, -0.0001441800000000, -0.0003052400000000 ] - [ 0.0002938700000000, -0.0005677400000000, -0.0004374900000000 ] - [ -0.0000912500000000, 0.0000010600000000, -0.0001732200000000 ] - [ 0.0002628100000000, 0.0006468100000000, -0.0003326800000000 ] - [ 0.0000064200000000, 0.0000274400000000, 0.0002676600000000 ] - [ 0.0000556800000000, 0.0004010700000000, -0.0001986700000000 ] - [ 0.0009486100000000, -0.0003334700000000, 0.0002067700000000 ] - [ -0.0000541200000000, 0.0001325800000000, 0.0000301700000000 ] - [ -0.0000424600000000, -0.0001569600000000, 0.0000368700000000 ] - [ -0.0000277000000000, 0.0001534800000000, -0.0001781800000000 ] - [ 0.0000197400000000, -0.0000483700000000, 0.0002633800000000 ] - [ -0.0001144800000000, 0.0000993800000000, -0.0001650200000000 ] - [ 0.0001691700000000, 0.0000896100000000, -0.0002575700000000 ] - [ -0.0000323000000000, 0.0000156000000000, -0.0000618500000000 ] - [ 0.0014559100000000, -0.0011550400000000, -0.0002506700000000 ] - [ -0.0000307400000000, 0.0000014200000000, 0.0008127300000000 ] - [ -0.0010748500000000, 0.0002671300000000, -0.0010819400000000 ] - [ 0.0002120800000000, 0.0002261800000000, 0.0002549600000000 ] - [ -0.0005632800000000, 0.0001439900000000, -0.0001704600000000 ] - [ 0.0000101700000000, -0.0000875900000000, -0.0001735600000000 ] - [ -0.0001495500000000, -0.0000829300000000, -0.0000963300000000 ] - [ 0.0001678700000000, 0.0002645400000000, -0.0000657900000000 ] - [ -0.0001207700000000, 0.0000834900000000, -0.0001912200000000 ] - [ -0.0000247900000000, -0.0014984300000000, 0.0002376900000000 ] - [ 0.0017514600000000, 0.0007012300000000, -0.0037303500000000 ] - [ 0.0000408900000000, -0.0000946600000000, 0.0000262700000000 ] - [ 0.0000429100000000, -0.0017150000000000, 0.0015789400000000 ] - [ -0.0002026800000000, -0.0000084200000000, -0.0003155400000000 ] - [ -0.0000933000000000, 0.0000757800000000, 0.0000767900000000 ] - [ 0.0006123300000000, -0.0001514000000000, 0.0008517800000000 ] - [ 0.0003487900000000, -0.0004096700000000, -0.0000423400000000 ] - [ 0.0001508200000000, -0.0000597500000000, -0.0002354700000000 ] - [ -0.0000831700000000, -0.0000301200000000, 0.0002505500000000 ] - [ 0.0000488400000000, 0.0009908600000000, 0.0002398200000000 ] - [ -0.0000800900000000, 0.0001376700000000, -0.0000510100000000 ] - [ 0.0000236600000000, -0.0028121200000000, 0.0028034500000000 ] - [ 0.0001293300000000, 0.0000265900000000, -0.0002495600000000 ] - [ -0.0008752700000000, 0.0011791200000000, -0.0002946400000000 ] - [ -0.0000618900000000, -0.0001011500000000, -0.0001560300000000 ] - [ 0.0000158600000000, -0.0001781200000000, -0.0001329600000000 ] - [ -0.0009486600000000, -0.0005488800000000, 0.0010831300000000 ] - [ -0.0000140500000000, -0.0000403800000000, 0.0004231500000000 ] - [ 0.0003922600000000, 0.0003923300000000, -0.0009576800000000 ] - [ 0.0013725700000000, 0.0006507900000000, -0.0008043400000000 ] - [ 0.0002127900000000, 0.0000119700000000, 0.0000546300000000 ] - [ 0.0005018400000000, -0.0006391000000000, 0.0008797400000000 ] - [ 0.0005016000000000, 0.0002866600000000, 0.0000020700000000 ] - [ -0.0000325200000000, -0.0000908900000000, 0.0000126600000000 ] - [ 0.0001185100000000, -0.0001057900000000, -0.0001177500000000 ] - [ 0.0005589700000000, -0.0011902000000000, 0.0014404200000000 ] - [ 0.0021956600000000, 0.0140225000000000, 0.0076948500000000 ] - [ -0.0000428500000000, -0.0006871500000000, 0.0004374000000000 ] - [ -0.0000483900000000, -0.0000166900000000, 0.0009776500000000 ] - [ 0.0003109100000000, -0.0006584500000000, -0.0005345000000000 ] - [ 0.0003546200000000, 0.0006614800000000, -0.0005328100000000 ] - [ -0.0000819300000000, 0.0001046900000000, -0.0000826200000000 ] - [ 0.0000536700000000, 0.0001720100000000, -0.0003098600000000 ] - [ -0.0009671200000000, 0.0000597700000000, -0.0004473500000000 ] - [ 0.0000000900000000, -0.0001572100000000, -0.0001649500000000 ] - [ 0.0003162600000000, -0.0007251300000000, -0.0003539000000000 ] - [ -0.0006142500000000, -0.0004021100000000, -0.0004713000000000 ] - [ 0.0011969400000000, -0.0004470500000000, 0.0002176400000000 ] - [ 0.0006988100000000, -0.0017980100000000, 0.0012568400000000 ] - [ 0.0002116800000000, -0.0002132600000000, 0.0003567200000000 ] - [ 0.0000249400000000, 0.0000067900000000, 0.0000525000000000 ] - [ -0.0000789900000000, -0.0000589500000000, -0.0000426000000000 ] - [ 0.0003183000000000, 0.0010608300000000, -0.0008276700000000 ] - [ -0.0007299500000000, -0.0002767400000000, -0.0004757800000000 ] - [ -0.0189898800000000, 0.0084086500000000, -0.0001651300000000 ] - [ -0.0001153000000000, 0.0002688600000000, -0.0004335700000000 ] - [ 0.0002834400000000, -0.0005955500000000, -0.0006903000000000 ] - [ 0.0000291100000000, -0.0000512200000000, 0.0000087400000000 ] - [ 0.0010959600000000, -0.0025445600000000, -0.0008835800000000 ] - [ -0.0000463600000000, -0.0000080500000000, 0.0001341200000000 ] - [ 0.0001322200000000, 0.0003153800000000, 0.0008705900000000 ] - [ 0.0001219500000000, 0.0000244800000000, 0.0000088200000000 ] - [ 0.0000259200000000, -0.0000605500000000, 0.0000578400000000 ] - [ -0.0003071900000000, 0.0001095300000000, 0.0007775400000000 ] - [ 0.0003557200000000, -0.0002044100000000, -0.0002941000000000 ] - [ 0.0000618600000000, 0.0000033600000000, 0.0000045100000000 ] - [ 0.0000383200000000, -0.0000004600000000, -0.0002948900000000 ] - [ -0.0001058700000000, 0.0000374200000000, 0.0001223300000000 ] - [ 0.0001493300000000, -0.0001580100000000, -0.0000159600000000 ] - [ -0.0000360100000000, 0.0000311600000000, -0.0002915300000000 ] - [ -0.0001548100000000, -0.0002016800000000, 0.0001896000000000 ] - [ 0.0000103900000000, -0.0000160900000000, -0.0003026700000000 ] - [ 0.0063671200000000, 0.0017642000000000, 0.0024358500000000 ] - [ 0.0000017600000000, 0.0000489500000000, 0.0002371700000000 ] - [ -0.0003438400000000, 0.0001106900000000, -0.0000401900000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000448300000000, 0.0003870200000000, 0.0010347300000000 ] - [ -0.0001340700000000, 0.0002630400000000, 0.0002983100000000 ] - [ -0.0002371200000000, -0.0002949700000000, 0.0008884400000000 ] - [ 0.0010575100000000, 0.0019393400000000, -0.0019514700000000 ] - [ 0.0001024200000000, 0.0002708800000000, -0.0003851500000000 ] - [ -0.0000333100000000, -0.0001186400000000, -0.0005042200000000 ] - [ 0.0002272000000000, 0.0000208200000000, -0.0003354500000000 ] - [ 0.0001024200000000, -0.0002708800000000, -0.0003851500000000 ] - [ -0.0000636900000000, 0.0001561200000000, 0.0003523600000000 ] - [ -0.0001621500000000, 0.0002024200000000, -0.0003698300000000 ] - [ 0.0010575100000000, -0.0019393400000000, -0.0019514700000000 ] - [ -0.0002943300000000, 0.0000205200000000, -0.0007603300000000 ] - [ -0.0000957600000000, -0.0001989000000000, -0.0007450000000000 ] - [ 0.0013364700000000, 0.0006062300000000, 0.0005061500000000 ] - [ 0.0002898400000000, -0.0002925500000000, -0.0004403800000000 ] - [ -0.0001340700000000, -0.0002630400000000, 0.0002983100000000 ] - [ -0.0026134400000000, 0.0000000000000000, -0.0017641800000000 ] - [ 0.0002824800000000, 0.0001599500000000, 0.0002105200000000 ] - [ 0.0000113900000000, 0.0001069600000000, -0.0002476100000000 ] - [ -0.0000957600000000, 0.0001989000000000, -0.0007450000000000 ] - [ 0.0002272000000000, -0.0000208200000000, -0.0003354500000000 ] - [ 0.0001111000000000, 0.0000272800000000, -0.0002091000000000 ] - [ -0.0000448300000000, -0.0003870200000000, 0.0010347300000000 ] - [ -0.0004637700000000, 0.0000000000000000, 0.0012150900000000 ] - [ 0.0004360900000000, 0.0000000000000000, -0.0003812300000000 ] - [ -0.0001454500000000, -0.0002073000000000, -0.0006493600000000 ] - [ -0.0000517200000000, 0.0000903000000000, -0.0005135600000000 ] - [ -0.0008941800000000, -0.0004615200000000, 0.0002774200000000 ] - [ 0.0003751400000000, 0.0002569100000000, 0.0014047000000000 ] - [ 0.0013364700000000, -0.0006062300000000, 0.0005061500000000 ] - [ 0.0003081000000000, 0.0000000000000000, -0.0005402700000000 ] - [ 0.0000181100000000, 0.0000000000000000, -0.0005007900000000 ] - [ 0.0000984800000000, 0.0002284500000000, 0.0005466400000000 ] - [ 0.0000984800000000, -0.0002284500000000, 0.0005466400000000 ] - [ 0.0002898400000000, 0.0002925500000000, -0.0004403800000000 ] - [ -0.0001988900000000, -0.0002032900000000, 0.0002044100000000 ] - [ -0.0001882900000000, 0.0003240300000000, -0.0003159500000000 ] - [ -0.0002943300000000, -0.0000205200000000, -0.0007603300000000 ] - [ -0.0001882900000000, -0.0003240300000000, -0.0003159500000000 ] - [ -0.0000636900000000, -0.0001561200000000, 0.0003523600000000 ] - [ 0.0002565000000000, 0.0000261700000000, -0.0006530400000000 ] - [ 0.0002824800000000, -0.0001599500000000, 0.0002105200000000 ] - [ -0.0000517200000000, -0.0000903000000000, -0.0005135600000000 ] - [ -0.0000333100000000, 0.0001186400000000, -0.0005042200000000 ] - [ 0.0000113900000000, -0.0001069600000000, -0.0002476100000000 ] - [ 0.0003751400000000, -0.0002569100000000, 0.0014047000000000 ] - [ -0.0001454500000000, 0.0002073000000000, -0.0006493600000000 ] - [ -0.0002577500000000, -0.0003877700000000, -0.0006080300000000 ] - [ -0.0002577500000000, 0.0003877700000000, -0.0006080300000000 ] - [ 0.0000721700000000, 0.0000000000000000, -0.0006005700000000 ] - [ -0.0008941800000000, 0.0004615200000000, 0.0002774200000000 ] - [ -0.0016369500000000, -0.0014374000000000, 0.0036381100000000 ] - [ -0.0001988900000000, 0.0002032900000000, 0.0002044100000000 ] - [ -0.0001652600000000, 0.0002261500000000, -0.0003917600000000 ] - [ -0.0002371200000000, 0.0002949700000000, 0.0008884400000000 ] - [ 0.0001111000000000, -0.0000272800000000, -0.0002091000000000 ] - [ -0.0001621500000000, -0.0002024200000000, -0.0003698300000000 ] - [ -0.0016369500000000, 0.0014374000000000, 0.0036381100000000 ] - [ -0.0000662600000000, -0.0000934800000000, 0.0000366800000000 ] - [ -0.0000662600000000, 0.0000934800000000, 0.0000366800000000 ] - [ 0.0002565000000000, -0.0000261700000000, -0.0006530400000000 ] - [ -0.0001652600000000, -0.0002261500000000, -0.0003917600000000 ] - [ -0.0006008000000000, 0.0000000000000000, 0.0024232700000000 ] - [ -0.0003573100000000, -0.0003324300000000, 0.0020564000000000 ] - [ -0.0012577900000000, -0.0021172500000000, 0.0012984800000000 ] - [ -0.0000773700000000, 0.0001634400000000, -0.0010817500000000 ] - [ 0.0002930900000000, 0.0005475100000000, -0.0014931200000000 ] - [ 0.0001262200000000, 0.0002856900000000, -0.0010873400000000 ] - [ 0.0002930900000000, -0.0005475100000000, -0.0014931200000000 ] - [ -0.0004123100000000, 0.0000000000000000, 0.0009191200000000 ] - [ 0.0000750100000000, 0.0000000000000000, -0.0013651900000000 ] - [ -0.0000971100000000, 0.0002854200000000, -0.0005371100000000 ] - [ 0.0000256100000000, 0.0000000000000000, -0.0044100200000000 ] - [ -0.0002573200000000, 0.0000000000000000, -0.0011660000000000 ] - [ -0.0000773700000000, -0.0001634400000000, -0.0010817500000000 ] - [ -0.0000971100000000, -0.0002854200000000, -0.0005371100000000 ] - [ 0.0858022800000000, 0.0000000000000000, 0.1175130400000000 ] - [ -0.0003573100000000, 0.0003324300000000, 0.0020564000000000 ] - [ 0.0001262200000000, -0.0002856900000000, -0.0010873400000000 ] - [ 0.0025601100000000, 0.0000000000000000, -0.0003043400000000 ] - [ 0.0006961900000000, -0.0034160200000000, 0.0002270700000000 ] - [ 0.0006961900000000, 0.0034160200000000, 0.0002270700000000 ] - [ -0.0004373600000000, 0.0000000000000000, -0.0006521300000000 ] - [ -0.0012577900000000, 0.0021172500000000, 0.0012984800000000 ] - [ -0.0003150300000000, -0.0007718600000000, -0.0005116900000000 ] - [ -0.0003150300000000, 0.0007718600000000, -0.0005116900000000 ] - [ 0.0006762100000000, 0.0000000000000000, -0.0003952900000000 ] - [ 0.0002228400000000, -0.0002897300000000, 0.0004717300000000 ] - [ 0.0011594000000000, 0.0019279100000000, 0.0004123200000000 ] - [ -0.1154529900000000, 0.0000000000000000, -0.1175867900000000 ] - [ 0.0000111900000000, 0.0013408300000000, -0.0002674300000000 ] - [ 0.0000222000000000, -0.0000522700000000, 0.0000747900000000 ] - [ 0.0000037200000000, -0.0000028200000000, 0.0003305800000000 ] - [ -0.0000330300000000, 0.0000000000000000, 0.0003800300000000 ] - [ 0.0000634400000000, -0.0000411400000000, 0.0001300400000000 ] - [ 0.0002753900000000, 0.0000000000000000, 0.0001755300000000 ] - [ -0.0010990500000000, 0.0000000000000000, 0.0036113500000000 ] - [ -0.0077629500000000, 0.0041258900000000, -0.0166939100000000 ] - [ 0.0009778400000000, 0.0000000000000000, 0.0002398000000000 ] - [ -0.0008796600000000, 0.0000846700000000, -0.0002191300000000 ] - [ 0.0000222000000000, 0.0000522700000000, 0.0000747900000000 ] - [ 0.0000162000000000, -0.0001275900000000, -0.0012488300000000 ] - [ 0.0000127300000000, -0.0000065400000000, 0.0000706400000000 ] - [ 0.0001669400000000, 0.0002276400000000, 0.0000307600000000 ] - [ 0.0000947000000000, 0.0000000000000000, 0.0005182300000000 ] - [ -0.0003324200000000, -0.0005470300000000, 0.0010524000000000 ] - [ 0.0003356100000000, 0.0001346300000000, -0.0003486100000000 ] - [ -0.0001856100000000, 0.0002133900000000, 0.0003635300000000 ] - [ -0.0000394900000000, -0.0001553600000000, 0.0004954200000000 ] - [ -0.0000405400000000, 0.0000845700000000, 0.0001342100000000 ] - [ 0.0000902300000000, 0.0000547700000000, 0.0003505800000000 ] - [ 0.0001073500000000, 0.0004840600000000, -0.0002729300000000 ] - [ 0.0000162000000000, 0.0001275900000000, -0.0012488300000000 ] - [ 0.0000281900000000, 0.0001084200000000, 0.0007539900000000 ] - [ 0.0004022000000000, -0.0001261800000000, -0.0005854500000000 ] - [ -0.0000596300000000, 0.0001057300000000, 0.0015363300000000 ] - [ -0.0020573000000000, 0.0000000000000000, 0.0001918900000000 ] - [ 0.0002228400000000, 0.0002897300000000, 0.0004717300000000 ] - [ 0.0000691500000000, 0.0000000000000000, 0.0008684300000000 ] - [ 0.0000507000000000, -0.0001456700000000, 0.0000985300000000 ] - [ -0.0001460200000000, -0.0000006200000000, 0.0000494800000000 ] - [ 0.0002612800000000, 0.0003174300000000, 0.0000658700000000 ] - [ -0.0000034200000000, 0.0000811900000000, 0.0001069400000000 ] - [ -0.0000222600000000, -0.0002176700000000, -0.0003920800000000 ] - [ -0.0017472400000000, 0.0000000000000000, -0.0001580100000000 ] - [ 0.0000037200000000, 0.0000028200000000, 0.0003305800000000 ] - [ 0.0000180200000000, -0.0023812100000000, 0.0004310400000000 ] - [ 0.0000127300000000, 0.0000065400000000, 0.0000706400000000 ] - [ -0.0000222600000000, 0.0002176700000000, -0.0003920800000000 ] - [ 0.0003725700000000, -0.0001951000000000, 0.0001612500000000 ] - [ 0.0002612800000000, -0.0003174300000000, 0.0000658700000000 ] - [ 0.0000634400000000, 0.0000411400000000, 0.0001300400000000 ] - [ 0.0003725700000000, 0.0001951000000000, 0.0001612500000000 ] - [ -0.0001621400000000, 0.0003546700000000, 0.0000374300000000 ] - [ -0.0000394900000000, 0.0001553600000000, 0.0004954200000000 ] - [ 0.0000111900000000, -0.0013408300000000, -0.0002674300000000 ] - [ 0.0000802500000000, 0.0000000000000000, 0.0005519700000000 ] - [ 0.0000180200000000, 0.0023812100000000, 0.0004310400000000 ] - [ -0.0000034200000000, -0.0000811900000000, 0.0001069400000000 ] - [ 0.0000723100000000, -0.0000802700000000, -0.0000117500000000 ] - [ -0.0002796900000000, -0.0006863500000000, 0.0000979100000000 ] - [ 0.0000281900000000, -0.0001084200000000, 0.0007539900000000 ] - [ 0.0000300700000000, 0.0000000000000000, -0.0006488500000000 ] - [ -0.0001621400000000, -0.0003546700000000, 0.0000374300000000 ] - [ 0.0002279200000000, 0.0000000000000000, 0.0003305800000000 ] - [ 0.0011594000000000, -0.0019279100000000, 0.0004123200000000 ] - [ 0.0004022000000000, 0.0001261800000000, -0.0005854500000000 ] - [ -0.0001856100000000, -0.0002133900000000, 0.0003635300000000 ] - [ 0.0000723100000000, 0.0000802700000000, -0.0000117500000000 ] - [ 0.0001931300000000, -0.0004702600000000, -0.0011386100000000 ] - [ 0.0438118100000000, 0.0000000000000000, 0.0247403900000000 ] - [ 0.0001073500000000, -0.0004840600000000, -0.0002729300000000 ] - [ -0.0000596300000000, -0.0001057300000000, 0.0015363300000000 ] - [ 0.0001669400000000, -0.0002276400000000, 0.0000307600000000 ] - [ 0.0003484600000000, 0.0008403400000000, -0.0002331300000000 ] - [ -0.0003324200000000, 0.0005470300000000, 0.0010524000000000 ] - [ 0.0000507000000000, 0.0001456700000000, 0.0000985300000000 ] - [ -0.0008796600000000, -0.0000846700000000, -0.0002191300000000 ] - [ -0.0000405400000000, -0.0000845700000000, 0.0001342100000000 ] - [ 0.0003484600000000, -0.0008403400000000, -0.0002331300000000 ] - [ 0.0001736800000000, 0.0010331600000000, 0.0001982600000000 ] - [ 0.0003356100000000, -0.0001346300000000, -0.0003486100000000 ] - [ 0.0001736800000000, -0.0010331600000000, 0.0001982600000000 ] - [ 0.0000902300000000, -0.0000547700000000, 0.0003505800000000 ] - [ -0.0000045700000000, 0.0000000000000000, 0.0006527400000000 ] - [ -0.0001460200000000, 0.0000006200000000, 0.0000494800000000 ] - [ -0.0006348100000000, -0.0002668400000000, 0.0004283900000000 ] - [ -0.0002796900000000, 0.0006863500000000, 0.0000979100000000 ] - [ -0.0077629500000000, -0.0041258900000000, -0.0166939100000000 ] - [ 0.0001931300000000, 0.0004702600000000, -0.0011386100000000 ] - [ -0.0006348100000000, 0.0002668400000000, 0.0004283900000000 ] - [ 0.0000231100000000, -0.0000489900000000, 0.0002501400000000 ] - [ -0.0001444100000000, -0.0002062800000000, -0.0004306400000000 ] - [ -0.0000619000000000, -0.0000665500000000, 0.0003958300000000 ] - [ 0.0005471000000000, 0.0000000000000000, 0.0008318300000000 ] - [ 0.0000060200000000, -0.0000636000000000, 0.0000841900000000 ] - [ -0.0000619000000000, 0.0000665500000000, 0.0003958300000000 ] - [ -0.0001246300000000, 0.0000000000000000, 0.0021380100000000 ] - [ -0.0000392500000000, 0.0002390200000000, 0.0001682000000000 ] - [ 0.0000231100000000, 0.0000489900000000, 0.0002501400000000 ] - [ 0.0000184300000000, 0.0000197300000000, -0.0000235800000000 ] - [ -0.0000654200000000, 0.0000000000000000, 0.0005885200000000 ] - [ 0.0000060200000000, 0.0000636000000000, 0.0000841900000000 ] - [ -0.0000270100000000, 0.0000000000000000, 0.0001403200000000 ] - [ -0.0000392500000000, -0.0002390200000000, 0.0001682000000000 ] - [ 0.0000184300000000, -0.0000197300000000, -0.0000235800000000 ] - [ 0.0054248000000000, 0.0000000000000000, -0.0003107400000000 ] - [ 0.0001331400000000, 0.0000000000000000, 0.0005464200000000 ] - [ -0.0001444100000000, 0.0002062800000000, -0.0004306400000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001025700000000, 0.0000314400000000, -0.0006135100000000 ] - [ 0.0000152700000000, -0.0000405400000000, 0.0000533700000000 ] - [ 0.0002052500000000, 0.0004128100000000, -0.0006121500000000 ] - [ -0.0010403700000000, -0.0022190800000000, 0.0022031400000000 ] - [ -0.0003570800000000, 0.0001728100000000, -0.0000541600000000 ] - [ -0.0001880600000000, -0.0002717400000000, 0.0004964500000000 ] - [ 0.0002259800000000, -0.0000136300000000, 0.0003242200000000 ] - [ -0.0003570800000000, -0.0001728100000000, -0.0000541600000000 ] - [ -0.0000687000000000, 0.0000855300000000, -0.0002401600000000 ] - [ -0.0000663500000000, 0.0001832000000000, 0.0003610000000000 ] - [ -0.0010403700000000, 0.0022190800000000, 0.0022031400000000 ] - [ 0.0001648100000000, -0.0004536100000000, 0.0005150400000000 ] - [ -0.0001024800000000, -0.0002209000000000, 0.0001503000000000 ] - [ -0.0013297600000000, -0.0007687900000000, -0.0000336600000000 ] - [ 0.0001393100000000, 0.0001890100000000, 0.0001873900000000 ] - [ 0.0000152700000000, 0.0000405400000000, 0.0000533700000000 ] - [ 0.0028683800000000, 0.0000000000000000, 0.0021130400000000 ] - [ -0.0000410100000000, 0.0000102200000000, 0.0000397800000000 ] - [ -0.0000413800000000, 0.0001893400000000, 0.0003620200000000 ] - [ -0.0001024800000000, 0.0002209000000000, 0.0001503000000000 ] - [ 0.0002259800000000, 0.0000136300000000, 0.0003242200000000 ] - [ 0.0001561700000000, 0.0000904200000000, 0.0003276300000000 ] - [ 0.0001025700000000, -0.0000314400000000, -0.0006135100000000 ] - [ 0.0005834600000000, 0.0000000000000000, -0.0009444000000000 ] - [ -0.0001587600000000, 0.0000000000000000, 0.0009797500000000 ] - [ -0.0001259800000000, -0.0001654200000000, 0.0000558400000000 ] - [ -0.0000584300000000, 0.0001090100000000, 0.0001735600000000 ] - [ 0.0007451300000000, 0.0004054900000000, 0.0002155600000000 ] - [ -0.0000500400000000, -0.0000240000000000, -0.0009814300000000 ] - [ -0.0013297600000000, 0.0007687900000000, -0.0000336600000000 ] - [ 0.0004399900000000, 0.0000000000000000, 0.0005848400000000 ] - [ 0.0004912500000000, 0.0000000000000000, 0.0000613500000000 ] - [ 0.0000371400000000, -0.0001313100000000, -0.0000585900000000 ] - [ 0.0000371400000000, 0.0001313100000000, -0.0000585900000000 ] - [ 0.0001393100000000, -0.0001890100000000, 0.0001873900000000 ] - [ -0.0000630700000000, 0.0000835000000000, 0.0000489400000000 ] - [ -0.0001923100000000, 0.0003231400000000, 0.0003565500000000 ] - [ 0.0001648100000000, 0.0004536100000000, 0.0005150400000000 ] - [ -0.0001923100000000, -0.0003231400000000, 0.0003565500000000 ] - [ -0.0000687000000000, -0.0000855300000000, -0.0002401600000000 ] - [ 0.0002109600000000, 0.0000300900000000, 0.0000586700000000 ] - [ -0.0000410100000000, -0.0000102200000000, 0.0000397800000000 ] - [ -0.0000584300000000, -0.0001090100000000, 0.0001735600000000 ] - [ -0.0001880600000000, 0.0002717400000000, 0.0004964500000000 ] - [ -0.0000413800000000, -0.0001893400000000, 0.0003620200000000 ] - [ -0.0000500400000000, 0.0000240000000000, -0.0009814300000000 ] - [ -0.0001259800000000, 0.0001654200000000, 0.0000558400000000 ] - [ 0.0000187700000000, 0.0002117700000000, 0.0007204900000000 ] - [ 0.0000187700000000, -0.0002117700000000, 0.0007204900000000 ] - [ 0.0001618500000000, 0.0000000000000000, 0.0002643600000000 ] - [ 0.0007451300000000, -0.0004054900000000, 0.0002155600000000 ] - [ 0.0012540300000000, 0.0016267500000000, -0.0032602600000000 ] - [ -0.0000630700000000, -0.0000835000000000, 0.0000489400000000 ] - [ -0.0001416400000000, 0.0000990900000000, 0.0001427200000000 ] - [ 0.0002052500000000, -0.0004128100000000, -0.0006121500000000 ] - [ 0.0001561700000000, -0.0000904200000000, 0.0003276300000000 ] - [ -0.0000663500000000, -0.0001832000000000, 0.0003610000000000 ] - [ 0.0012540300000000, -0.0016267500000000, -0.0032602600000000 ] - [ -0.0000688300000000, -0.0001481400000000, 0.0005626100000000 ] - [ -0.0000688300000000, 0.0001481400000000, 0.0005626100000000 ] - [ 0.0002109600000000, -0.0000300900000000, 0.0000586700000000 ] - [ -0.0001416400000000, -0.0000990900000000, 0.0001427200000000 ] - [ 0.0007448600000000, 0.0000000000000000, -0.0026888200000000 ] - [ 0.0004193700000000, 0.0002429900000000, -0.0014643500000000 ] - [ 0.0011852100000000, 0.0022257800000000, -0.0010429400000000 ] - [ 0.0000765000000000, -0.0001701400000000, 0.0012483900000000 ] - [ -0.0002925800000000, -0.0005463000000000, 0.0004995400000000 ] - [ 0.0001543100000000, 0.0002034000000000, 0.0009842100000000 ] - [ -0.0002925800000000, 0.0005463000000000, 0.0004995400000000 ] - [ 0.0004335600000000, 0.0000000000000000, -0.0000299300000000 ] - [ -0.0000765100000000, 0.0000000000000000, 0.0006949400000000 ] - [ 0.0003346900000000, 0.0001216800000000, 0.0000681200000000 ] - [ -0.0004973200000000, 0.0000000000000000, 0.0039720800000000 ] - [ -0.0003081300000000, 0.0000000000000000, 0.0010632700000000 ] - [ 0.0000765000000000, 0.0001701400000000, 0.0012483900000000 ] - [ 0.0003346900000000, -0.0001216800000000, 0.0000681200000000 ] - [ -0.0844212400000000, 0.0000000000000000, -0.1174073000000000 ] - [ 0.0004193700000000, -0.0002429900000000, -0.0014643500000000 ] - [ 0.0001543100000000, -0.0002034000000000, 0.0009842100000000 ] - [ -0.0024224600000000, 0.0000000000000000, 0.0005380700000000 ] - [ -0.0007061500000000, 0.0034427300000000, -0.0008229900000000 ] - [ -0.0007061500000000, -0.0034427300000000, -0.0008229900000000 ] - [ 0.0004367200000000, 0.0000000000000000, 0.0013486300000000 ] - [ 0.0011852100000000, -0.0022257800000000, -0.0010429400000000 ] - [ 0.0003149000000000, 0.0007720900000000, 0.0002695400000000 ] - [ 0.0003149000000000, -0.0007720900000000, 0.0002695400000000 ] - [ -0.0006801800000000, 0.0000000000000000, 0.0007168700000000 ] - [ -0.0001066900000000, 0.0000900900000000, -0.0002078600000000 ] - [ -0.0007242700000000, -0.0017387000000000, 0.0001528700000000 ] - [ 0.1142822100000000, 0.0000000000000000, 0.1182573400000000 ] - [ -0.0000080800000000, -0.0013505900000000, 0.0013137400000000 ] - [ 0.0001759800000000, 0.0003270700000000, -0.0007278700000000 ] - [ 0.0001521300000000, 0.0002650700000000, -0.0004343700000000 ] - [ -0.0002671200000000, 0.0000000000000000, -0.0004829600000000 ] - [ 0.0002023600000000, 0.0001867600000000, -0.0006403900000000 ] - [ -0.0002759100000000, 0.0000000000000000, -0.0009680200000000 ] - [ 0.0012016600000000, 0.0000000000000000, -0.0031963700000000 ] - [ 0.0070383600000000, -0.0037099400000000, 0.0170117300000000 ] - [ 0.0001209800000000, 0.0000000000000000, 0.0005477600000000 ] - [ -0.0007831500000000, -0.0001322200000000, -0.0007312100000000 ] - [ 0.0001759800000000, -0.0003270700000000, -0.0007278700000000 ] - [ -0.0001121500000000, -0.0000271500000000, 0.0010443500000000 ] - [ -0.0003430100000000, 0.0000423900000000, -0.0007210000000000 ] - [ 0.0007018300000000, 0.0011847800000000, -0.0009809400000000 ] - [ -0.0003245600000000, 0.0000000000000000, -0.0002539500000000 ] - [ 0.0006129400000000, 0.0010067300000000, -0.0013015000000000 ] - [ 0.0002408400000000, 0.0001036400000000, 0.0007063200000000 ] - [ 0.0000665700000000, -0.0000066100000000, -0.0003587200000000 ] - [ -0.0000911500000000, -0.0000781300000000, -0.0008631700000000 ] - [ 0.0000383600000000, 0.0002185400000000, -0.0006437300000000 ] - [ -0.0001379700000000, 0.0000206800000000, 0.0000975100000000 ] - [ 0.0001227100000000, -0.0008757400000000, -0.0000489100000000 ] - [ -0.0001121500000000, 0.0000271500000000, 0.0010443500000000 ] - [ -0.0000267200000000, -0.0001097800000000, -0.0007879800000000 ] - [ -0.0004849300000000, 0.0007504800000000, 0.0009463500000000 ] - [ 0.0000570100000000, -0.0001049500000000, 0.0000947800000000 ] - [ 0.0016027100000000, 0.0000000000000000, -0.0005087000000000 ] - [ -0.0001066900000000, -0.0000900900000000, -0.0002078600000000 ] - [ -0.0002806400000000, 0.0000000000000000, -0.0012012500000000 ] - [ 0.0000844900000000, -0.0001555600000000, -0.0007495000000000 ] - [ -0.0003929200000000, 0.0000160600000000, -0.0002885800000000 ] - [ -0.0000097200000000, 0.0001555600000000, -0.0003056800000000 ] - [ -0.0002525000000000, 0.0000764800000000, -0.0006165700000000 ] - [ -0.0002998200000000, -0.0003304700000000, 0.0008027100000000 ] - [ 0.0018678800000000, 0.0000000000000000, -0.0003455600000000 ] - [ 0.0001521300000000, -0.0002650700000000, -0.0004343700000000 ] - [ -0.0001022900000000, 0.0022525600000000, -0.0001276900000000 ] - [ -0.0003430100000000, -0.0000423900000000, -0.0007210000000000 ] - [ -0.0002998200000000, 0.0003304700000000, 0.0008027100000000 ] - [ -0.0007384700000000, 0.0004727400000000, 0.0004012000000000 ] - [ -0.0000097200000000, -0.0001555600000000, -0.0003056800000000 ] - [ 0.0002023600000000, -0.0001867600000000, -0.0006403900000000 ] - [ -0.0007384700000000, -0.0004727400000000, 0.0004012000000000 ] - [ -0.0003999900000000, 0.0006094800000000, 0.0007599100000000 ] - [ -0.0000911500000000, 0.0000781300000000, -0.0008631700000000 ] - [ -0.0000080800000000, 0.0013505900000000, 0.0013137400000000 ] - [ 0.0001906500000000, 0.0000000000000000, -0.0009188100000000 ] - [ -0.0001022900000000, -0.0022525600000000, -0.0001276900000000 ] - [ -0.0002525000000000, -0.0000764800000000, -0.0006165700000000 ] - [ 0.0000280300000000, -0.0001028900000000, -0.0003131300000000 ] - [ 0.0004557600000000, 0.0006958200000000, 0.0002116600000000 ] - [ -0.0000267200000000, 0.0001097800000000, -0.0007879800000000 ] - [ -0.0000310700000000, 0.0000000000000000, -0.0002236100000000 ] - [ -0.0003999900000000, -0.0006094800000000, 0.0007599100000000 ] - [ 0.0000138800000000, 0.0000000000000000, -0.0003247200000000 ] - [ -0.0007242700000000, 0.0017387000000000, 0.0001528700000000 ] - [ -0.0004849300000000, -0.0007504800000000, 0.0009463500000000 ] - [ 0.0000665700000000, 0.0000066100000000, -0.0003587200000000 ] - [ 0.0000280300000000, 0.0001028900000000, -0.0003131300000000 ] - [ -0.0002536400000000, 0.0003651600000000, 0.0006175300000000 ] - [ -0.0427057700000000, 0.0000000000000000, -0.0241570600000000 ] - [ 0.0001227100000000, 0.0008757400000000, -0.0000489100000000 ] - [ 0.0000570100000000, 0.0001049500000000, 0.0000947800000000 ] - [ 0.0007018300000000, -0.0011847800000000, -0.0009809400000000 ] - [ 0.0004370500000000, 0.0006235200000000, -0.0007172500000000 ] - [ 0.0006129400000000, -0.0010067300000000, -0.0013015000000000 ] - [ 0.0000844900000000, 0.0001555600000000, -0.0007495000000000 ] - [ -0.0007831500000000, 0.0001322200000000, -0.0007312100000000 ] - [ 0.0000383600000000, -0.0002185400000000, -0.0006437300000000 ] - [ 0.0004370500000000, -0.0006235200000000, -0.0007172500000000 ] - [ -0.0002606000000000, -0.0011825300000000, 0.0001126700000000 ] - [ 0.0002408400000000, -0.0001036400000000, 0.0007063200000000 ] - [ -0.0002606000000000, 0.0011825300000000, 0.0001126700000000 ] - [ -0.0001379700000000, -0.0000206800000000, 0.0000975100000000 ] - [ 0.0000014500000000, 0.0000000000000000, -0.0007429800000000 ] - [ -0.0003929200000000, -0.0000160600000000, -0.0002885800000000 ] - [ 0.0005716600000000, 0.0007197300000000, 0.0001381600000000 ] - [ 0.0004557600000000, -0.0006958200000000, 0.0002116600000000 ] - [ 0.0070383600000000, 0.0037099400000000, 0.0170117300000000 ] - [ -0.0002536400000000, -0.0003651600000000, 0.0006175300000000 ] - [ 0.0005716600000000, -0.0007197300000000, 0.0001381600000000 ] - [ 0.0000184700000000, -0.0000297300000000, -0.0002983200000000 ] - [ 0.0000240900000000, 0.0000199900000000, 0.0006086400000000 ] - [ 0.0000606400000000, 0.0000583900000000, -0.0002344400000000 ] - [ -0.0010192200000000, 0.0000000000000000, -0.0005040500000000 ] - [ 0.0000180900000000, 0.0000204000000000, -0.0000230400000000 ] - [ 0.0000606400000000, -0.0000583900000000, -0.0002344400000000 ] - [ 0.0000720100000000, 0.0000000000000000, -0.0020698500000000 ] - [ 0.0002772900000000, 0.0001661100000000, 0.0001673100000000 ] - [ 0.0000184700000000, 0.0000297300000000, -0.0002983200000000 ] - [ -0.0000052600000000, -0.0000040200000000, -0.0006916500000000 ] - [ -0.0000292200000000, 0.0000000000000000, -0.0006330500000000 ] - [ 0.0000180900000000, -0.0000204000000000, -0.0000230400000000 ] - [ 0.0000170300000000, 0.0000000000000000, -0.0008588300000000 ] - [ 0.0002772900000000, -0.0001661100000000, 0.0001673100000000 ] - [ -0.0000052600000000, 0.0000040200000000, -0.0006916500000000 ] - [ -0.0052363700000000, 0.0000000000000000, 0.0004744500000000 ] - [ -0.0001510300000000, 0.0000000000000000, -0.0003862300000000 ] - [ 0.0000240900000000, -0.0000199900000000, 0.0006086400000000 ]- atom: 91 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008238200000000, 0.0003457200000000, -0.0000222700000000 ] - [ -0.0002546100000000, 0.0002343200000000, 0.0003608300000000 ] - [ 0.0000696900000000, -0.0002232100000000, 0.0002286300000000 ] - [ 0.0001623300000000, -0.0001125500000000, -0.0000253300000000 ] - [ -0.0000779300000000, 0.0000130800000000, -0.0003327100000000 ] - [ -0.0001334600000000, -0.0002729000000000, 0.0000028700000000 ] - [ 0.0000678600000000, -0.0000030400000000, -0.0000263300000000 ] - [ -0.0005594000000000, -0.0004310800000000, 0.0000202500000000 ] - [ -0.0015895900000000, -0.0009806200000000, -0.0006219900000000 ] - [ -0.0001431200000000, 0.0002695200000000, 0.0000044100000000 ] - [ 0.0000497900000000, 0.0000599900000000, 0.0000333000000000 ] - [ -0.0000301600000000, 0.0000034600000000, -0.0002277500000000 ] - [ -0.0000732700000000, -0.0002065400000000, -0.0002878800000000 ] - [ -0.0001775800000000, -0.0005708200000000, 0.0003052900000000 ] - [ -0.0001717200000000, -0.0000690400000000, 0.0021624100000000 ] - [ -0.0000124100000000, -0.0000142900000000, 0.0000842200000000 ] - [ 0.0000186400000000, -0.0000999600000000, 0.0000561500000000 ] - [ 0.0003238500000000, 0.0000794800000000, 0.0004119500000000 ] - [ -0.0000264300000000, 0.0001814200000000, 0.0000596600000000 ] - [ -0.0000921900000000, 0.0002044900000000, -0.0002929400000000 ] - [ 0.0003096900000000, -0.0000173100000000, -0.0000319900000000 ] - [ 0.0001704900000000, 0.0000634600000000, 0.0000592300000000 ] - [ 0.0025504400000000, 0.0000625400000000, 0.0006460900000000 ] - [ -0.0002255900000000, 0.0006366500000000, 0.0002892200000000 ] - [ 0.0001744100000000, 0.0000011500000000, 0.0002943700000000 ] - [ -0.0001523900000000, -0.0001904800000000, -0.0003031500000000 ] - [ -0.0000811200000000, 0.0001073400000000, -0.0001768400000000 ] - [ -0.0015710500000000, 0.0011347400000000, -0.0004167500000000 ] - [ 0.0033196100000000, 0.0001114100000000, -0.0004949700000000 ] - [ -0.0019977100000000, -0.0018919900000000, 0.0005786600000000 ] - [ 0.0004588200000000, -0.0000057200000000, 0.0000045100000000 ] - [ 0.0000656200000000, 0.0002089400000000, -0.0003540600000000 ] - [ -0.0009687700000000, 0.0000423500000000, 0.0001407500000000 ] - [ 0.0010330300000000, -0.0009143000000000, 0.0006062300000000 ] - [ 0.0000134800000000, -0.0001547400000000, -0.0002583700000000 ] - [ -0.0003114000000000, -0.0001689300000000, 0.0003250100000000 ] - [ -0.0002083900000000, 0.0003000100000000, -0.0001403600000000 ] - [ 0.0000198700000000, 0.0004979900000000, -0.0012694100000000 ] - [ -0.0001720400000000, -0.0002520100000000, 0.0001901900000000 ] - [ -0.0020177000000000, 0.0018668800000000, 0.0004292700000000 ] - [ 0.0002491700000000, 0.0000232700000000, -0.0003079900000000 ] - [ 0.0000205500000000, 0.0000128100000000, 0.0000065200000000 ] - [ -0.0000514800000000, -0.0000876100000000, -0.0001715200000000 ] - [ -0.0001109600000000, 0.0001282900000000, 0.0001666300000000 ] - [ -0.0000138600000000, -0.0001457800000000, 0.0000944900000000 ] - [ -0.0001231900000000, -0.0007400700000000, 0.0003768500000000 ] - [ -0.0001172100000000, 0.0001862100000000, -0.0002872800000000 ] - [ -0.0001359100000000, -0.0001239000000000, 0.0000543900000000 ] - [ -0.0001060700000000, 0.0000657800000000, 0.0000022900000000 ] - [ 0.0001076000000000, -0.0000156900000000, -0.0001615900000000 ] - [ -0.0002705800000000, 0.0005108600000000, 0.0003071800000000 ] - [ 0.0023087600000000, -0.0001843300000000, 0.0006247200000000 ] - [ 0.0000175600000000, 0.0000304100000000, -0.0000255600000000 ] - [ -0.0006069100000000, 0.0003784500000000, 0.0001021000000000 ] - [ -0.0009153700000000, -0.0002062000000000, -0.0000976700000000 ] - [ 0.0000682000000000, -0.0000587200000000, 0.0000426200000000 ] - [ -0.0001201000000000, -0.0001609200000000, -0.0001547000000000 ] - [ -0.0001220000000000, 0.0001534800000000, 0.0002969400000000 ] - [ -0.0000573700000000, -0.0000974900000000, 0.0002396700000000 ] - [ -0.0000655500000000, 0.0001155000000000, 0.0003361300000000 ] - [ 0.0002206400000000, -0.0000122800000000, -0.0002855500000000 ] - [ -0.0000571200000000, -0.0004596900000000, -0.0013067200000000 ] - [ 0.0010727400000000, 0.0008283300000000, 0.0003934500000000 ] - [ -0.0040747500000000, -0.0000672700000000, 0.0025866700000000 ] - [ 0.0001336600000000, -0.0002144700000000, 0.0007045600000000 ] - [ -0.0001538200000000, -0.0000435000000000, 0.0000794300000000 ] - [ 0.0001171100000000, 0.0000000300000000, -0.0005022300000000 ] - [ 0.0000859800000000, 0.0002349200000000, -0.0000493500000000 ] - [ -0.0000677300000000, -0.0000140400000000, -0.0004996400000000 ] - [ -0.0009537800000000, -0.0006962300000000, 0.0004561100000000 ] - [ -0.0001795800000000, -0.0001102000000000, -0.0003414900000000 ] - [ 0.0013077000000000, 0.0015758900000000, 0.0003344800000000 ] - [ 0.0009518300000000, -0.0013268400000000, 0.0004016900000000 ] - [ -0.0002669200000000, 0.0000420800000000, -0.0000556400000000 ] - [ 0.0002327900000000, 0.0000018200000000, 0.0000692800000000 ] - [ -0.0010484300000000, -0.0001739000000000, -0.0014401000000000 ] - [ 0.0017858300000000, -0.0034549000000000, -0.0008668700000000 ] - [ 0.0018562900000000, 0.0034744800000000, -0.0008336700000000 ] - [ 0.0001661100000000, -0.0002902500000000, -0.0000582000000000 ] - [ 0.0002302600000000, 0.0002679600000000, 0.0006796800000000 ] - [ 0.0883443700000000, 0.0000182400000000, 0.0006599800000000 ] - [ -0.0009374800000000, 0.0007313200000000, -0.0002878800000000 ] - [ -0.0000543500000000, 0.0000074400000000, 0.0003469100000000 ] - [ -0.0003410500000000, -0.0000628900000000, -0.0010399000000000 ] - [ -0.0015458400000000, -0.0000019100000000, -0.0001119800000000 ] - [ 0.0001569400000000, 0.0000593800000000, -0.0001195000000000 ] - [ 0.0002048000000000, -0.0000827700000000, 0.0001634600000000 ] - [ 0.0000890900000000, -0.0001125000000000, 0.0001252300000000 ] - [ 0.0002871700000000, 0.0002972600000000, 0.0001337400000000 ] - [ -0.0007061000000000, 0.0006146900000000, 0.0002193600000000 ] - [ -0.0785344300000000, 0.0000107400000000, -0.0002598400000000 ] - [ 0.0001799400000000, 0.0001829500000000, -0.0003098600000000 ] - [ 0.0000875200000000, 0.0001371400000000, -0.0000701700000000 ] - [ -0.0001716000000000, -0.0000020700000000, -0.0000413100000000 ] - [ 0.0001242200000000, 0.0000547100000000, -0.0002312400000000 ] - [ 0.0000312300000000, -0.0000013800000000, -0.0004050300000000 ] - [ -0.0002881900000000, 0.0005825900000000, -0.0002043100000000 ] - [ -0.0001480400000000, 0.0030529200000000, 0.0013784600000000 ] - [ 0.0011829500000000, -0.0000699300000000, 0.0005274300000000 ] - [ -0.0007893400000000, -0.0000423500000000, -0.0004653500000000 ] - [ -0.0000201500000000, -0.0000751500000000, -0.0002886200000000 ] - [ -0.0003803400000000, -0.0005985200000000, 0.0005347100000000 ] - [ -0.0000751200000000, -0.0000077700000000, -0.0003290700000000 ] - [ 0.0003839200000000, 0.0006884100000000, -0.0004689000000000 ] - [ -0.0000827400000000, 0.0000134000000000, 0.0001271200000000 ] - [ 0.0001222400000000, 0.0007474400000000, -0.0003006800000000 ] - [ -0.0007701200000000, -0.0004941500000000, 0.0001895700000000 ] - [ -0.0000337900000000, 0.0001451500000000, 0.0000026400000000 ] - [ -0.0000516400000000, -0.0001143700000000, -0.0001646800000000 ] - [ 0.0000028700000000, 0.0001788000000000, -0.0002471100000000 ] - [ 0.0006186200000000, 0.0000289100000000, 0.0010131600000000 ] - [ 0.0000443300000000, -0.0000762800000000, -0.0003130400000000 ] - [ 0.0005154700000000, 0.0000686100000000, -0.0013668700000000 ] - [ -0.0005687900000000, 0.0000001600000000, -0.0000062500000000 ] - [ -0.0000580500000000, -0.0009090100000000, 0.0000825100000000 ] - [ 0.0000145100000000, 0.0000012900000000, 0.0008159300000000 ] - [ -0.0004284300000000, -0.0000306100000000, -0.0002808700000000 ] - [ 0.0000660000000000, 0.0000993000000000, 0.0001305500000000 ] - [ -0.0009157800000000, -0.0000074900000000, -0.0001938900000000 ] - [ 0.0000936500000000, -0.0001537900000000, -0.0003309300000000 ] - [ 0.0006546700000000, 0.0000062300000000, 0.0002177100000000 ] - [ 0.0004551800000000, 0.0002221700000000, 0.0002236300000000 ] - [ -0.0001519500000000, 0.0000893100000000, -0.0002471600000000 ] - [ -0.0000568700000000, -0.0030356600000000, 0.0013753100000000 ] - [ 0.0000167800000000, -0.0002692000000000, -0.0006834300000000 ] - [ 0.0000687800000000, -0.0001080900000000, -0.0000240600000000 ] - [ 0.0000540800000000, -0.0003676400000000, 0.0001523700000000 ] - [ -0.0003996500000000, -0.0000105600000000, -0.0003876400000000 ] - [ 0.0022891000000000, 0.0001634000000000, -0.0009551900000000 ] - [ 0.0002515700000000, 0.0001440800000000, 0.0005534400000000 ] - [ 0.0001247900000000, -0.0007736200000000, -0.0002866100000000 ] - [ 0.0001417600000000, -0.0000953100000000, -0.0002491900000000 ] - [ -0.0003795700000000, -0.0000997700000000, 0.0001571500000000 ] - [ -0.0001636300000000, 0.0007505300000000, 0.0003542800000000 ] - [ -0.0000721300000000, 0.0001325300000000, -0.0001896700000000 ] - [ 0.0003056400000000, -0.0000759900000000, 0.0005273400000000 ] - [ 0.0001303200000000, -0.0000085400000000, -0.0001894200000000 ] - [ -0.0117556100000000, -0.0091391700000000, 0.0217495200000000 ] - [ -0.0000835600000000, -0.0000767400000000, -0.0002480000000000 ] - [ 0.0004294900000000, -0.0001316400000000, 0.0001900600000000 ] - [ 0.0006995000000000, 0.0000392200000000, 0.0000987800000000 ] - [ 0.0000895200000000, -0.0000053500000000, -0.0000145600000000 ] - [ 0.0002243800000000, 0.0001469600000000, -0.0004397000000000 ] - [ 0.0003920000000000, 0.0000726200000000, 0.0003150200000000 ] - [ 0.0002349000000000, -0.0000200800000000, 0.0000512700000000 ] - [ 0.0002117800000000, -0.0000192700000000, 0.0005362300000000 ] - [ 0.0024747400000000, -0.0001856300000000, -0.0010037100000000 ] - [ 0.0000586400000000, -0.0000249200000000, -0.0000429200000000 ] - [ -0.0001958100000000, -0.0009545200000000, -0.0004975400000000 ] - [ 0.0003993700000000, -0.0000483800000000, 0.0006232800000000 ] - [ -0.0002407100000000, 0.0005146400000000, 0.0005397100000000 ] - [ 0.0001079000000000, 0.0001204800000000, 0.0000924300000000 ] - [ -0.0000287600000000, -0.0000023500000000, 0.0008172100000000 ] - [ 0.0004463200000000, -0.0007073900000000, -0.0004878200000000 ] - [ 0.0004336600000000, 0.0007433400000000, -0.0004954800000000 ] - [ -0.0001006300000000, 0.0007262300000000, -0.0004034900000000 ] - [ -0.0000618400000000, 0.0000867000000000, -0.0002865900000000 ] - [ -0.0009044300000000, 0.0000213800000000, -0.0005074900000000 ] - [ 0.0000054600000000, -0.0001486400000000, -0.0002655400000000 ] - [ 0.0003430800000000, -0.0007177100000000, -0.0004689900000000 ] - [ -0.0113745700000000, 0.0093047400000000, 0.0225944500000000 ] - [ 0.0023612000000000, -0.0001065100000000, 0.0003899200000000 ] - [ 0.0005965600000000, -0.0005072400000000, 0.0002172400000000 ] - [ -0.0003817600000000, -0.0005830800000000, -0.0001411900000000 ] - [ 0.0000322600000000, 0.0000229100000000, -0.0000367900000000 ] - [ -0.0010557800000000, -0.0000186700000000, -0.0001897700000000 ] - [ -0.0001022800000000, 0.0001083300000000, 0.0001324700000000 ] - [ 0.0047751500000000, -0.0002544900000000, -0.0441692700000000 ] - [ -0.0002822900000000, 0.0010341500000000, 0.0000846900000000 ] - [ -0.0000806700000000, 0.0003334800000000, -0.0007016400000000 ] - [ 0.0000484700000000, -0.0004235400000000, 0.0001391600000000 ] - [ 0.0000353000000000, -0.0000423300000000, -0.0000342700000000 ] - [ 0.0020895900000000, -0.0001729700000000, 0.0004057200000000 ] - [ 0.0000049100000000, 0.0001243100000000, 0.0002621300000000 ] - [ 0.0001575000000000, -0.0007418400000000, 0.0004559100000000 ] - [ 0.0000682200000000, -0.0000266000000000, -0.0001273300000000 ] - [ 0.0002217900000000, -0.0000257400000000, -0.0002670300000000 ] - [ -0.0000489100000000, 0.0000469200000000, 0.0000941700000000 ] - [ 0.0018261000000000, 0.0002744000000000, -0.0004205400000000 ] - [ 0.0000135700000000, 0.0000239800000000, -0.0000195500000000 ] - [ -0.0000126000000000, -0.0000136100000000, -0.0003804600000000 ] - [ -0.0000567100000000, 0.0000100000000000, -0.0000169400000000 ] - [ -0.0000134800000000, -0.0000229200000000, 0.0000912500000000 ] - [ -0.0000266600000000, 0.0000345700000000, -0.0003909000000000 ] - [ 0.0004660800000000, 0.0006290800000000, 0.0004679900000000 ] - [ 0.0000386900000000, -0.0000046600000000, -0.0002838600000000 ] - [ 0.0002335100000000, -0.0011388700000000, -0.0000691600000000 ] - [ -0.0000259300000000, -0.0001408000000000, 0.0002443800000000 ] - [ 0.0001461800000000, 0.0012537400000000, -0.0000652800000000 ]- atom: 91 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008735600000000, 0.0000763400000000, 0.0004557800000000 ] - [ 0.0001425100000000, -0.0000091900000000, -0.0000270100000000 ] - [ -0.0001207600000000, 0.0003269300000000, 0.0000521900000000 ] - [ -0.0001467800000000, -0.0001667300000000, 0.0002722400000000 ] - [ -0.0001705200000000, 0.0004293200000000, -0.0001117500000000 ] - [ -0.0000875900000000, -0.0001122500000000, -0.0000128800000000 ] - [ 0.0003844500000000, 0.0000081900000000, 0.0000122900000000 ] - [ 0.0003000200000000, -0.0000172600000000, -0.0004591700000000 ] - [ 0.0014492900000000, 0.0012264400000000, 0.0007578700000000 ] - [ -0.0000919200000000, 0.0001203900000000, -0.0000187600000000 ] - [ -0.0000355700000000, 0.0002290200000000, 0.0002107300000000 ] - [ -0.0001084900000000, -0.0004377400000000, -0.0000223700000000 ] - [ -0.0001245100000000, -0.0001973600000000, -0.0003026100000000 ] - [ 0.0002066900000000, 0.0004114700000000, 0.0001983500000000 ] - [ 0.0006124400000000, -0.0000381100000000, -0.0024326400000000 ] - [ -0.0001054900000000, -0.0001899500000000, 0.0002543100000000 ] - [ 0.0002325300000000, 0.0001150400000000, 0.0002772100000000 ] - [ -0.0000764600000000, 0.0000775000000000, -0.0001716300000000 ] - [ -0.0000038600000000, 0.0001161600000000, 0.0000502500000000 ] - [ -0.0001015500000000, 0.0002226700000000, -0.0002968800000000 ] - [ 0.0001454300000000, 0.0000074200000000, 0.0000170100000000 ] - [ 0.0001021700000000, 0.0000596100000000, 0.0000505600000000 ] - [ -0.0025023900000000, -0.0005367200000000, -0.0001744800000000 ] - [ 0.0003406300000000, -0.0006323500000000, -0.0000084700000000 ] - [ 0.0001054200000000, 0.0000059900000000, 0.0002868200000000 ] - [ -0.0000988400000000, -0.0001829500000000, -0.0002870500000000 ] - [ -0.0000285000000000, 0.0000992300000000, -0.0001623500000000 ] - [ 0.0014075200000000, -0.0011893200000000, 0.0009369600000000 ] - [ -0.0027300900000000, 0.0001398200000000, 0.0010956200000000 ] - [ 0.0020147500000000, 0.0020506000000000, -0.0000694000000000 ] - [ 0.0002905100000000, -0.0000049100000000, 0.0000331600000000 ] - [ 0.0004415800000000, -0.0002004300000000, -0.0000901400000000 ] - [ 0.0010972500000000, 0.0000508500000000, 0.0003610000000000 ] - [ -0.0008967500000000, 0.0007907600000000, -0.0001016400000000 ] - [ 0.0004207100000000, 0.0002568200000000, -0.0000001400000000 ] - [ 0.0000654200000000, 0.0000478700000000, -0.0000764200000000 ] - [ -0.0001773400000000, 0.0003418200000000, 0.0001774200000000 ] - [ -0.0001510700000000, -0.0000557200000000, 0.0009878900000000 ] - [ -0.0002044900000000, -0.0004023800000000, -0.0001553500000000 ] - [ 0.0018886300000000, -0.0020939800000000, -0.0002934000000000 ] - [ 0.0002173400000000, 0.0000224400000000, -0.0002836200000000 ] - [ 0.0002109700000000, -0.0001952000000000, 0.0002393400000000 ] - [ -0.0000594800000000, -0.0001045600000000, -0.0001749900000000 ] - [ -0.0001100700000000, 0.0002667200000000, -0.0001803600000000 ] - [ -0.0000179700000000, -0.0001601400000000, 0.0000052500000000 ] - [ 0.0004645500000000, 0.0004932300000000, 0.0000537200000000 ] - [ -0.0001686200000000, 0.0001767900000000, -0.0003021800000000 ] - [ -0.0001125400000000, -0.0000570300000000, 0.0000454400000000 ] - [ -0.0001310700000000, 0.0001110500000000, 0.0001046400000000 ] - [ 0.0001255600000000, 0.0000242100000000, -0.0001767800000000 ] - [ 0.0001106400000000, -0.0004486300000000, 0.0001918600000000 ] - [ -0.0026976000000000, 0.0003905900000000, -0.0001555200000000 ] - [ -0.0002941800000000, 0.0000834000000000, 0.0002689400000000 ] - [ 0.0002984500000000, -0.0000592500000000, -0.0003586200000000 ] - [ 0.0008497700000000, 0.0000927900000000, 0.0003705800000000 ] - [ 0.0002035000000000, -0.0000575000000000, 0.0000650500000000 ] - [ -0.0001038600000000, -0.0002218000000000, 0.0001430600000000 ] - [ -0.0002797800000000, -0.0003242000000000, 0.0001335200000000 ] - [ -0.0000830700000000, -0.0001448800000000, 0.0003401400000000 ] - [ -0.0000672400000000, 0.0001310000000000, 0.0002451300000000 ] - [ 0.0002369400000000, -0.0000536600000000, -0.0003028400000000 ] - [ -0.0002543300000000, 0.0001086500000000, 0.0010339000000000 ] - [ -0.0007924700000000, -0.0007999700000000, -0.0002670200000000 ] - [ 0.0041511100000000, -0.0000223300000000, -0.0020049400000000 ] - [ -0.0002007300000000, 0.0003314900000000, -0.0004740700000000 ] - [ 0.0001600000000000, 0.0000384400000000, 0.0000796500000000 ] - [ -0.0001165200000000, -0.0000006700000000, -0.0005016500000000 ] - [ 0.0001950600000000, 0.0002523800000000, -0.0000599200000000 ] - [ 0.0000667300000000, 0.0000145600000000, -0.0004990500000000 ] - [ 0.0009530200000000, 0.0006933300000000, 0.0004553000000000 ] - [ 0.0001784700000000, 0.0001097200000000, -0.0003416500000000 ] - [ -0.0010634900000000, -0.0011682600000000, -0.0007987600000000 ] - [ -0.0014085900000000, 0.0013284200000000, -0.0008724800000000 ] - [ -0.0002996500000000, -0.0000414200000000, -0.0000534800000000 ] - [ -0.0002398500000000, 0.0000019700000000, 0.0000695000000000 ] - [ 0.0012617300000000, -0.0002276000000000, 0.0009687800000000 ] - [ -0.0018831800000000, 0.0034354100000000, 0.0014586400000000 ] - [ -0.0017938600000000, -0.0033595300000000, 0.0014314900000000 ] - [ 0.0001168600000000, -0.0002004600000000, -0.0000513900000000 ] - [ -0.0000968500000000, -0.0002739900000000, -0.0004497800000000 ] - [ -0.0883003200000000, -0.0000276800000000, 0.0006604000000000 ] - [ 0.0009204800000000, -0.0007186800000000, -0.0002878500000000 ] - [ 0.0000552500000000, -0.0000061700000000, 0.0003469900000000 ] - [ 0.0002703600000000, -0.0000544400000000, 0.0012687200000000 ] - [ 0.0015482100000000, -0.0000020400000000, -0.0001121700000000 ] - [ -0.0001594600000000, -0.0000631600000000, -0.0001194600000000 ] - [ -0.0002028400000000, 0.0000876200000000, 0.0001635600000000 ] - [ 0.0000270100000000, -0.0000849800000000, 0.0001303600000000 ] - [ 0.0001370800000000, -0.0001223100000000, 0.0004174200000000 ] - [ 0.0013292500000000, -0.0006140000000000, 0.0001999900000000 ] - [ 0.0778373800000000, 0.0000110600000000, -0.0002632900000000 ] - [ 0.0000175100000000, 0.0000918800000000, -0.0003371900000000 ] - [ 0.0000692700000000, 0.0001348900000000, -0.0000210000000000 ] - [ -0.0001333400000000, 0.0000095300000000, -0.0000486300000000 ] - [ 0.0001439600000000, 0.0000963000000000, -0.0002640600000000 ] - [ -0.0000328400000000, -0.0000012900000000, -0.0004049200000000 ] - [ 0.0003674600000000, -0.0005891800000000, 0.0006497500000000 ] - [ -0.0003486300000000, -0.0026465400000000, -0.0010009100000000 ] - [ -0.0000767400000000, 0.0000754700000000, 0.0002701200000000 ] - [ -0.0008705600000000, -0.0000103600000000, -0.0004998700000000 ] - [ 0.0002198600000000, -0.0001980300000000, -0.0003543800000000 ] - [ 0.0002871800000000, 0.0004349900000000, -0.0007321700000000 ] - [ -0.0002644000000000, 0.0000442900000000, -0.0003187100000000 ] - [ 0.0004844100000000, 0.0007188600000000, -0.0004950500000000 ] - [ -0.0001464200000000, -0.0000116000000000, 0.0001284000000000 ] - [ 0.0001461300000000, -0.0003038800000000, 0.0000546400000000 ] - [ 0.0013304800000000, 0.0007298000000000, 0.0001805800000000 ] - [ -0.0000897800000000, 0.0000689600000000, 0.0000046900000000 ] - [ -0.0000812000000000, -0.0001159900000000, -0.0002001200000000 ] - [ -0.0000056000000000, 0.0001294200000000, -0.0002485800000000 ] - [ -0.0006554900000000, 0.0000405600000000, -0.0005698800000000 ] - [ 0.0001829000000000, -0.0003125600000000, -0.0000207600000000 ] - [ -0.0006126800000000, 0.0000791400000000, 0.0011756900000000 ] - [ 0.0005674200000000, 0.0000026800000000, -0.0000064000000000 ] - [ -0.0000132900000000, 0.0015088200000000, 0.0002890400000000 ] - [ -0.0000173300000000, -0.0000052500000000, 0.0008159100000000 ] - [ -0.0000209900000000, 0.0000362400000000, -0.0000528800000000 ] - [ 0.0000481500000000, 0.0000984300000000, 0.0001239600000000 ] - [ 0.0006976600000000, -0.0000042800000000, -0.0001402900000000 ] - [ 0.0000411200000000, -0.0001490500000000, -0.0003136400000000 ] - [ -0.0011686100000000, 0.0000005300000000, -0.0004628000000000 ] - [ -0.0001974400000000, 0.0002350500000000, -0.0004685000000000 ] - [ -0.0001078300000000, 0.0000755700000000, -0.0002505500000000 ] - [ -0.0002530600000000, 0.0024746100000000, -0.0009463700000000 ] - [ 0.0001126500000000, 0.0002782300000000, 0.0001748800000000 ] - [ 0.0000907800000000, -0.0001523300000000, -0.0000659500000000 ] - [ -0.0001327500000000, 0.0002179400000000, 0.0001606000000000 ] - [ 0.0000720400000000, -0.0000243300000000, -0.0002525000000000 ] - [ -0.0026277400000000, 0.0003721400000000, 0.0013851500000000 ] - [ -0.0006201400000000, 0.0001326500000000, -0.0000003300000000 ] - [ 0.0001305000000000, 0.0002973800000000, 0.0000388900000000 ] - [ 0.0001307700000000, -0.0000476900000000, -0.0002488400000000 ] - [ 0.0000268600000000, -0.0001730800000000, 0.0003916800000000 ] - [ -0.0003846800000000, 0.0002110700000000, 0.0004438300000000 ] - [ -0.0000582600000000, 0.0001074800000000, -0.0001712900000000 ] - [ -0.0003057900000000, 0.0000735100000000, 0.0005271400000000 ] - [ 0.0001427100000000, 0.0000156800000000, -0.0001720700000000 ] - [ 0.0117950200000000, 0.0093954100000000, -0.0214259400000000 ] - [ -0.0001776800000000, -0.0000797300000000, -0.0002472200000000 ] - [ -0.0003218800000000, -0.0000586600000000, -0.0005232600000000 ] - [ -0.0005187900000000, -0.0000369100000000, 0.0002099100000000 ] - [ -0.0000877900000000, 0.0000085600000000, -0.0000147000000000 ] - [ -0.0002219600000000, -0.0001430700000000, -0.0004395500000000 ] - [ -0.0009411400000000, -0.0010233200000000, 0.0004823600000000 ] - [ 0.0000129200000000, 0.0000194600000000, -0.0000436100000000 ] - [ 0.0002145300000000, -0.0001627200000000, 0.0000163700000000 ] - [ -0.0025713100000000, -0.0004306000000000, 0.0013842800000000 ] - [ -0.0001801700000000, -0.0001862400000000, 0.0000498800000000 ] - [ 0.0002952700000000, 0.0011308600000000, 0.0001628100000000 ] - [ -0.0004562400000000, -0.0000554600000000, -0.0011289400000000 ] - [ 0.0004149200000000, -0.0005184400000000, -0.0007369200000000 ] - [ 0.0001186500000000, 0.0002690600000000, -0.0004270400000000 ] - [ 0.0000268100000000, -0.0000022000000000, 0.0008172000000000 ] - [ 0.0004185600000000, -0.0007072000000000, -0.0004779200000000 ] - [ 0.0003511100000000, 0.0007122000000000, -0.0004705700000000 ] - [ 0.0003654800000000, -0.0011754400000000, 0.0001572300000000 ] - [ 0.0001988700000000, 0.0002179600000000, -0.0003556400000000 ] - [ -0.0007528300000000, 0.0000203300000000, -0.0004561200000000 ] - [ -0.0000103000000000, -0.0001561000000000, -0.0002296700000000 ] - [ 0.0004413500000000, -0.0007463700000000, -0.0004939700000000 ] - [ 0.0114133000000000, -0.0095544200000000, -0.0222817400000000 ] - [ -0.0017851300000000, -0.0001331000000000, -0.0000189900000000 ] - [ -0.0006791900000000, 0.0006407200000000, 0.0000976600000000 ] - [ 0.0003340400000000, 0.0005084300000000, 0.0005878400000000 ] - [ -0.0000350700000000, -0.0000280000000000, -0.0000366000000000 ] - [ 0.0005088400000000, 0.0000055700000000, -0.0000580900000000 ] - [ 0.0000420900000000, 0.0003501500000000, 0.0004185300000000 ] - [ -0.0044406600000000, 0.0002437200000000, 0.0438865800000000 ] - [ -0.0002161300000000, -0.0014000700000000, 0.0002866200000000 ] - [ 0.0000196700000000, -0.0002204300000000, 0.0001935600000000 ] - [ -0.0001084000000000, -0.0000147700000000, 0.0004099400000000 ] - [ 0.0000074000000000, -0.0000442400000000, -0.0000113800000000 ] - [ -0.0021975700000000, -0.0000279400000000, -0.0002201100000000 ] - [ -0.0000072800000000, -0.0001394100000000, -0.0001014000000000 ] - [ -0.0006072600000000, 0.0007338500000000, -0.0001187800000000 ] - [ -0.0000421000000000, -0.0000211200000000, 0.0001638700000000 ] - [ -0.0002253100000000, 0.0000204800000000, 0.0004242600000000 ] - [ -0.0000053600000000, -0.0000469200000000, -0.0000580900000000 ] - [ -0.0015989200000000, 0.0001291200000000, 0.0007543000000000 ] - [ 0.0000292200000000, 0.0000500000000000, -0.0000322100000000 ] - [ 0.0000294900000000, 0.0000441400000000, -0.0003193900000000 ] - [ -0.0000394200000000, -0.0000158100000000, -0.0000288200000000 ] - [ 0.0000397100000000, 0.0000670300000000, -0.0000570700000000 ] - [ 0.0000114100000000, -0.0000275900000000, -0.0003135500000000 ] - [ -0.0002257800000000, -0.0010084400000000, -0.0001308400000000 ] - [ -0.0000242900000000, -0.0000045300000000, -0.0004197300000000 ] - [ 0.0000063900000000, 0.0011424500000000, 0.0002511200000000 ] - [ 0.0000132700000000, 0.0001270000000000, -0.0000836800000000 ] - [ -0.0002611700000000, -0.0010475900000000, 0.0002482200000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003425600000000, 0.0004279400000000, 0.0010249100000000 ] - [ 0.0001448200000000, -0.0000826500000000, -0.0001216800000000 ] - [ 0.0000169400000000, 0.0004291900000000, 0.0010595600000000 ] - [ -0.0007710000000000, -0.0014666600000000, -0.0011639800000000 ] - [ 0.0000067900000000, -0.0003165900000000, -0.0003439300000000 ] - [ -0.0000953100000000, -0.0002007800000000, -0.0006580100000000 ] - [ 0.0002215400000000, 0.0000178500000000, -0.0006580100000000 ] - [ 0.0002707800000000, 0.0001641700000000, -0.0003439300000000 ] - [ -0.0024738500000000, -0.0006914400000000, 0.0029348900000000 ] - [ -0.0001262300000000, 0.0001829300000000, -0.0006580100000000 ] - [ 0.0000521300000000, -0.0001024600000000, -0.0002258900000000 ] - [ 0.0000618800000000, 0.0003421800000000, -0.0001479200000000 ] - [ -0.0001094600000000, -0.0002226600000000, -0.0012515700000000 ] - [ -0.0001141000000000, -0.0002062100000000, 0.0017515400000000 ] - [ 0.0021573400000000, -0.0000473800000000, -0.0033546200000000 ] - [ -0.0000008300000000, 0.0001667500000000, -0.0001216800000000 ] - [ -0.0001439900000000, -0.0000840900000000, -0.0001216800000000 ] - [ 0.0016556600000000, 0.0000656300000000, -0.0011639800000000 ] - [ -0.0000577600000000, 0.0001886600000000, -0.0006239500000000 ] - [ -0.0001223900000000, 0.0002608400000000, -0.0009795300000000 ] - [ 0.0001871800000000, -0.0003023000000000, -0.0007953900000000 ] - [ 0.0001820100000000, 0.0002267700000000, -0.0007179600000000 ] - [ 0.0016230600000000, 0.0024835300000000, 0.0021299100000000 ] - [ 0.0003632200000000, -0.0002292600000000, 0.0010595600000000 ] - [ 0.0001786000000000, -0.0001874500000000, -0.0004650100000000 ] - [ -0.0001647000000000, -0.0002364200000000, -0.0009795300000000 ] - [ -0.0000473900000000, 0.0000712100000000, -0.0008474500000000 ] - [ -0.0023549100000000, 0.0007228900000000, 0.0032390000000000 ] - [ -0.0029623400000000, 0.0001638500000000, 0.0021299100000000 ] - [ 0.0018035000000000, 0.0016779700000000, 0.0032390000000000 ] - [ 0.0003661400000000, 0.0002871400000000, -0.0007756100000000 ] - [ -0.0002775700000000, 0.0001524100000000, -0.0003439300000000 ] - [ 0.0002356400000000, 0.0000042900000000, 0.0017515400000000 ] - [ 0.0005514200000000, -0.0024008600000000, 0.0032390000000000 ] - [ -0.0003272800000000, -0.0001175000000000, -0.0001479200000000 ] - [ 0.0000626600000000, 0.0000963800000000, -0.0002258900000000 ] - [ -0.0004317400000000, 0.0001735200000000, -0.0007756100000000 ] - [ -0.0010376300000000, 0.0018920000000000, -0.0033546200000000 ] - [ 0.0000656000000000, -0.0004606600000000, -0.0007756100000000 ] - [ 0.0018357300000000, -0.0017966900000000, 0.0029348900000000 ] - [ 0.0002475500000000, 0.0000165400000000, -0.0012515700000000 ] - [ -0.0001148000000000, 0.0000060800000000, -0.0002258900000000 ] - [ -0.0000379700000000, -0.0000766500000000, -0.0008474500000000 ] - [ 0.0001682100000000, 0.0003132500000000, -0.0007953900000000 ] - [ 0.0001053800000000, -0.0002710100000000, -0.0007179600000000 ] - [ 0.0005418900000000, 0.0000827000000000, 0.0010249100000000 ] - [ -0.0001381000000000, 0.0002061200000000, -0.0012515700000000 ] - [ -0.0001345100000000, -0.0001443500000000, -0.0006239500000000 ] - [ -0.0002873900000000, 0.0000442500000000, -0.0007179600000000 ] - [ 0.0000853700000000, 0.0000054400000000, -0.0008474500000000 ] - [ -0.0001215300000000, 0.0002019200000000, 0.0017515400000000 ] - [ 0.0013392700000000, -0.0026473800000000, 0.0021299100000000 ] - [ -0.0008846700000000, 0.0014010300000000, -0.0011639800000000 ] - [ 0.0002654000000000, -0.0002246800000000, -0.0001479200000000 ] - [ -0.0003801600000000, -0.0001999300000000, 0.0010595600000000 ] - [ 0.0001922600000000, -0.0000443100000000, -0.0006239500000000 ] - [ -0.0003553900000000, -0.0000109600000000, -0.0007953900000000 ] - [ -0.0001993300000000, -0.0005106400000000, 0.0010249100000000 ] - [ -0.0002516400000000, -0.0000609500000000, -0.0004650100000000 ] - [ 0.0000730400000000, 0.0002484000000000, -0.0004650100000000 ] - [ 0.0002870900000000, -0.0000244300000000, -0.0009795300000000 ] - [ -0.0011197000000000, -0.0018446200000000, -0.0033546200000000 ] - [ 0.0006381200000000, 0.0024881400000000, 0.0029348900000000 ] - [ 0.0036647200000000, 0.0000239000000000, 0.0010211500000000 ] - [ 0.0005692500000000, 0.0011189500000000, -0.0012151700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010926700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037471100000000 ] - [ 0.0002119700000000, 0.0002431800000000, -0.0021936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020548500000000 ] - [ 0.0011548600000000, -0.0018934700000000, 0.0000824500000000 ] - [ 0.0010623600000000, 0.0019468800000000, 0.0000824500000000 ] - [ -0.0003165800000000, 0.0000619900000000, -0.0021936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055165700000000 ] - [ -0.0022172200000000, -0.0000534100000000, 0.0000824500000000 ] - [ -0.0018116600000000, -0.0031857000000000, 0.0010211500000000 ] - [ -0.0018530600000000, 0.0031617900000000, 0.0010211500000000 ] - [ 0.0001046100000000, -0.0003051600000000, -0.0021936200000000 ] - [ 0.0006844200000000, -0.0010524600000000, -0.0012151700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3431700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033709400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012847800000000 ] - [ -0.0012536600000000, -0.0000664900000000, -0.0012151700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104227200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000539800000000 ] - [ 0.0001304600000000, -0.0002430600000000, 0.0007392000000000 ] - [ -0.0001298700000000, -0.0005136100000000, 0.0008667200000000 ] - [ 0.0011945700000000, 0.0021143500000000, -0.0005994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4300087100000000 ] - [ 0.0000776800000000, 0.0000621000000000, 0.0001794900000000 ] - [ -0.0001094500000000, -0.0001053600000000, 0.0007546100000000 ] - [ 0.0001459700000000, -0.0000421100000000, 0.0007546100000000 ] - [ 0.0000253300000000, -0.0001613500000000, 0.0005191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005668700000000 ] - [ -0.0005738000000000, -0.0010180100000000, -0.0004320400000000 ] - [ 0.0011170000000000, 0.0020731300000000, -0.0006119800000000 ] - [ 0.0003986800000000, -0.0000574800000000, -0.0006594700000000 ] - [ -0.0005949500000000, -0.0000332300000000, 0.0001296900000000 ] - [ -0.0002933200000000, 0.0005963300000000, 0.0012673500000000 ] - [ 0.0003572300000000, -0.0007580600000000, -0.0006119100000000 ] - [ -0.0000926200000000, 0.0000362200000000, 0.0001794900000000 ] - [ 0.0003352700000000, 0.0005356600000000, 0.0007362400000000 ] - [ -0.0002757300000000, 0.0000085500000000, 0.0007392000000000 ] - [ -0.0003165500000000, -0.0005242100000000, 0.0001153400000000 ] - [ 0.0012368800000000, -0.0020039200000000, -0.0006119800000000 ] - [ -0.0001720800000000, 0.0003445000000000, 0.0005639100000000 ] - [ -0.0000177500000000, -0.0001010800000000, 0.0012227200000000 ] - [ -0.0000882400000000, -0.0000225800000000, 0.0004547100000000 ] - [ 0.0011685300000000, 0.0000120800000000, -0.0004320400000000 ] - [ -0.0002574600000000, -0.0006146100000000, 0.0003364300000000 ] - [ -0.0008351200000000, 0.0000696600000000, -0.0006119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041507500000000 ] - [ 0.0008947200000000, -0.0012545300000000, -0.0008724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020723800000000 ] - [ -0.0004035300000000, 0.0005302700000000, 0.0003364300000000 ] - [ 0.0001452700000000, 0.0002345100000000, 0.0007392000000000 ] - [ -0.0009152700000000, -0.0009047400000000, 0.0000900000000000 ] - [ 0.0000149400000000, -0.0000983200000000, 0.0001794900000000 ] - [ 0.0006122500000000, -0.0000120400000000, 0.0001153400000000 ] - [ 0.0012182600000000, 0.0003776300000000, 0.0001087100000000 ] - [ 0.0001270600000000, 0.0001026100000000, 0.0005191300000000 ] - [ 0.0012337900000000, -0.0020917000000000, -0.0005994800000000 ] - [ -0.0003383700000000, 0.0007034900000000, 0.0004423300000000 ] - [ -0.0000365200000000, 0.0001474700000000, 0.0007546100000000 ] - [ -0.0002360300000000, -0.0005845200000000, -0.0010023700000000 ] - [ 0.0006631000000000, -0.0000441400000000, 0.0012673500000000 ] - [ -0.0024283700000000, -0.0000226500000000, -0.0005994800000000 ] - [ 0.0005097400000000, 0.0001443400000000, 0.0008667200000000 ] - [ -0.0002957000000000, 0.0005362500000000, 0.0001153400000000 ] - [ 0.0000245600000000, 0.0000877100000000, 0.0004547100000000 ] - [ -0.0003600700000000, -0.0006698500000000, 0.0007739500000000 ] - [ -0.0001495600000000, 0.0003740100000000, -0.0006594700000000 ] - [ -0.0000786600000000, 0.0000659200000000, 0.0012227200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018267300000000 ] - [ 0.0000964200000000, 0.0000351700000000, 0.0012227200000000 ] - [ 0.0075876200000000, -0.0135221500000000, 0.0243730000000000 ] - [ 0.0000636800000000, -0.0000651300000000, 0.0004547100000000 ] - [ 0.0012411600000000, -0.0003402800000000, 0.0000900000000000 ] - [ 0.0006242200000000, 0.0000878500000000, -0.0010023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018708700000000 ] - [ -0.0002491200000000, -0.0003165300000000, -0.0006594700000000 ] - [ 0.0003843900000000, -0.0000232300000000, 0.0005639100000000 ] - [ 0.0007601400000000, 0.0000231000000000, 0.0007739500000000 ] - [ -0.0023538800000000, -0.0000692100000000, -0.0006119800000000 ] - [ -0.0002123100000000, -0.0003212800000000, 0.0005639100000000 ] - [ -0.0003258900000000, 0.0012450200000000, 0.0000900000000000 ] - [ 0.0007784200000000, -0.0000587100000000, 0.0004423300000000 ] - [ 0.0004778800000000, 0.0006884000000000, -0.0006119100000000 ] - [ 0.0006609900000000, 0.0000843400000000, 0.0003364300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028365100000000 ] - [ 0.0003262500000000, -0.0004986200000000, 0.0001296900000000 ] - [ 0.0002686900000000, 0.0005318500000000, 0.0001296900000000 ] - [ -0.0002820900000000, -0.0012438600000000, 0.0001087100000000 ] - [ -0.0003697800000000, -0.0005521900000000, 0.0012673500000000 ] - [ -0.0006315300000000, 0.0000225300000000, 0.0007362400000000 ] - [ -0.0001524000000000, 0.0000587300000000, 0.0005191300000000 ] - [ 0.0002962600000000, -0.0005581900000000, 0.0007362400000000 ] - [ 0.0079167200000000, 0.0133321500000000, 0.0243730000000000 ] - [ -0.0015338200000000, -0.0001475900000000, -0.0008724200000000 ] - [ -0.0003881900000000, 0.0004966700000000, -0.0010023700000000 ] - [ -0.0005947200000000, 0.0010059400000000, -0.0004320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011456100000000 ] - [ -0.0009361700000000, 0.0008662300000000, 0.0001087100000000 ] - [ -0.0004000800000000, 0.0006467500000000, 0.0007739500000000 ] - [ -0.0155043400000000, 0.0001900100000000, 0.0243730000000000 ] - [ 0.0006391000000000, 0.0014021200000000, -0.0008724200000000 ] - [ -0.0004400500000000, -0.0006447800000000, 0.0004423300000000 ] - [ -0.0003798700000000, 0.0003692800000000, 0.0008667200000000 ] - [ -0.0000352200000000, -0.0000466300000000, 0.0006664000000000 ] - [ 0.0001442200000000, -0.0000868400000000, -0.0023515800000000 ] - [ 0.0002173000000000, 0.0003222500000000, 0.0008166800000000 ] - [ 0.0009717300000000, -0.0019540700000000, -0.0000565700000000 ] - [ -0.0002254800000000, -0.0000266400000000, 0.0006360700000000 ] - [ -0.0003877300000000, 0.0000270600000000, 0.0008166800000000 ] - [ 0.0000896700000000, 0.0002085900000000, 0.0006360700000000 ] - [ -0.0021781400000000, 0.0001354900000000, -0.0000565700000000 ] - [ 0.0000579900000000, -0.0000071900000000, 0.0006664000000000 ] - [ -0.0000554500000000, 0.0001394000000000, 0.0003593900000000 ] - [ -0.0000227700000000, 0.0000538200000000, 0.0006664000000000 ] - [ 0.0001358100000000, -0.0001819600000000, 0.0006360700000000 ] - [ -0.0000930000000000, -0.0001177200000000, 0.0003593900000000 ] - [ 0.0012064000000000, 0.0018185800000000, -0.0000565700000000 ] - [ 0.0001484400000000, -0.0000216800000000, 0.0003593900000000 ] - [ 0.0000031000000000, 0.0001683200000000, -0.0023515800000000 ] - [ 0.0001704300000000, -0.0003493100000000, 0.0008166800000000 ] - [ -0.0001473200000000, -0.0000814700000000, -0.0023515800000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003956200000000, -0.0000061700000000, -0.0006008900000000 ] - [ -0.0002700000000000, 0.0002996300000000, 0.0004655200000000 ] - [ -0.0000783700000000, -0.0003258400000000, -0.0007824700000000 ] - [ 0.0007978100000000, 0.0011854600000000, 0.0014149100000000 ] - [ -0.0002628500000000, 0.0007610800000000, -0.0000974000000000 ] - [ -0.0001262100000000, -0.0001908300000000, 0.0006509700000000 ] - [ 0.0002283700000000, -0.0000138900000000, 0.0006509700000000 ] - [ -0.0005276900000000, -0.0006081700000000, -0.0000974000000000 ] - [ 0.0023454900000000, 0.0009225800000000, -0.0028415900000000 ] - [ -0.0001021600000000, 0.0002047200000000, 0.0006509700000000 ] - [ -0.0000290700000000, 0.0003903000000000, 0.0004733300000000 ] - [ -0.0001907000000000, -0.0007751800000000, -0.0001101000000000 ] - [ -0.0000805800000000, -0.0002021300000000, 0.0006687700000000 ] - [ 0.0001395100000000, 0.0000465400000000, -0.0012583300000000 ] - [ -0.0017283700000000, -0.0000562500000000, 0.0031147300000000 ] - [ -0.0001244900000000, -0.0003836400000000, 0.0004655200000000 ] - [ 0.0003944900000000, 0.0000840100000000, 0.0004655200000000 ] - [ -0.0014255400000000, 0.0000982000000000, 0.0014149100000000 ] - [ 0.0000266100000000, 0.0001062200000000, 0.0007364100000000 ] - [ -0.0000675800000000, 0.0001632400000000, 0.0003952800000000 ] - [ 0.0002629200000000, 0.0003001800000000, 0.0007894500000000 ] - [ 0.0000889200000000, -0.0001069500000000, 0.0008307800000000 ] - [ -0.0016601600000000, -0.0030556100000000, -0.0016185900000000 ] - [ -0.0002430000000000, 0.0002307900000000, -0.0007824700000000 ] - [ 0.0000994900000000, 0.0001880300000000, 0.0010533200000000 ] - [ -0.0001075800000000, -0.0001401500000000, 0.0003952800000000 ] - [ -0.0000667900000000, 0.0001265400000000, 0.0005175400000000 ] - [ 0.0022095500000000, -0.0007773100000000, -0.0027640200000000 ] - [ 0.0034763100000000, 0.0000900600000000, -0.0016185900000000 ] - [ -0.0017779400000000, -0.0015248700000000, -0.0027640200000000 ] - [ 0.0003837500000000, -0.0002889900000000, 0.0008200600000000 ] - [ 0.0007905400000000, -0.0001529100000000, -0.0000974000000000 ] - [ -0.0001100600000000, 0.0000975500000000, -0.0012583300000000 ] - [ -0.0004316100000000, 0.0023021800000000, -0.0027640200000000 ] - [ 0.0007666700000000, 0.0002224400000000, -0.0001101000000000 ] - [ -0.0003234700000000, -0.0002203200000000, 0.0004733300000000 ] - [ 0.0000584000000000, 0.0004768300000000, 0.0008200600000000 ] - [ 0.0009129000000000, -0.0014686900000000, 0.0031147300000000 ] - [ -0.0004421400000000, -0.0001878400000000, 0.0008200600000000 ] - [ -0.0019717200000000, 0.0015699600000000, -0.0028415900000000 ] - [ 0.0002153300000000, 0.0000312800000000, 0.0006687700000000 ] - [ 0.0003525400000000, -0.0001699800000000, 0.0004733300000000 ] - [ -0.0000762000000000, -0.0001211100000000, 0.0005175400000000 ] - [ -0.0003914300000000, 0.0000776000000000, 0.0007894500000000 ] - [ -0.0001370800000000, -0.0000235300000000, 0.0008307800000000 ] - [ -0.0002031500000000, -0.0003395300000000, -0.0006008900000000 ] - [ -0.0001347600000000, 0.0001708400000000, 0.0006687700000000 ] - [ -0.0001052900000000, -0.0000300700000000, 0.0007364100000000 ] - [ 0.0000481700000000, 0.0001304800000000, 0.0008307800000000 ] - [ 0.0001429800000000, -0.0000054300000000, 0.0005175400000000 ] - [ -0.0000294500000000, -0.0001440900000000, -0.0012583300000000 ] - [ -0.0018161500000000, 0.0029655400000000, -0.0016185900000000 ] - [ 0.0006277300000000, -0.0012836500000000, 0.0014149100000000 ] - [ -0.0005759700000000, 0.0005527400000000, -0.0001101000000000 ] - [ 0.0003213700000000, 0.0000950500000000, -0.0007824700000000 ] - [ 0.0000786900000000, -0.0000761500000000, 0.0007364100000000 ] - [ 0.0001285100000000, -0.0003777900000000, 0.0007894500000000 ] - [ -0.0001924700000000, 0.0003457000000000, -0.0006008900000000 ] - [ 0.0001131000000000, -0.0001801700000000, 0.0010533200000000 ] - [ -0.0002125800000000, -0.0000078600000000, 0.0010533200000000 ] - [ 0.0001751600000000, -0.0000230900000000, 0.0003952800000000 ] - [ 0.0008154700000000, 0.0015249400000000, 0.0031147300000000 ] - [ -0.0003737700000000, -0.0024925400000000, -0.0028415900000000 ] - [ -0.0036372000000000, -0.0001166000000000, -0.0004220000000000 ] - [ -0.0006379700000000, -0.0010067800000000, 0.0014600700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027734700000000 ] - [ 0.0000693600000000, 0.0002461400000000, 0.0021037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017959500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013867100000000 ] - [ -0.0009282800000000, 0.0023129900000000, -0.0005617700000000 ] - [ -0.0015389700000000, -0.0019604100000000, -0.0005617700000000 ] - [ -0.0002478400000000, -0.0000630000000000, 0.0021037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0057081500000000 ] - [ 0.0024672500000000, -0.0003525800000000, -0.0005617700000000 ] - [ 0.0017176200000000, 0.0032082100000000, -0.0004220000000000 ] - [ 0.0019195800000000, -0.0030916100000000, -0.0004220000000000 ] - [ 0.0001784800000000, -0.0001831400000000, 0.0021037700000000 ] - [ -0.0005529100000000, 0.0010558900000000, 0.0014600700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3697528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019988600000000 ] - [ 0.0011908800000000, -0.0000491100000000, 0.0014600700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105827600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003814800000000 ] - [ -0.0000126800000000, 0.0000391300000000, -0.0004859200000000 ] - [ 0.0005536500000000, 0.0006946900000000, -0.0003200400000000 ] - [ -0.0005738300000000, -0.0021294800000000, 0.0010170800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4585563300000000 ] - [ 0.0001210700000000, 0.0002127600000000, -0.0008329400000000 ] - [ 0.0002624700000000, 0.0003698800000000, -0.0008519800000000 ] - [ -0.0004515600000000, 0.0000423700000000, -0.0008519800000000 ] - [ 0.0002416700000000, 0.0003060400000000, -0.0010223400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013976200000000 ] - [ 0.0006631100000000, 0.0010239400000000, 0.0008954000000000 ] - [ -0.0016230500000000, -0.0017102200000000, 0.0009788100000000 ] - [ 0.0007143100000000, 0.0000578100000000, 0.0014701400000000 ] - [ -0.0010701700000000, -0.0000144000000000, -0.0011021600000000 ] - [ 0.0004940100000000, -0.0008745500000000, -0.0019267400000000 ] - [ -0.0004486700000000, 0.0006065800000000, 0.0004051900000000 ] - [ -0.0002447900000000, -0.0000015300000000, -0.0008329400000000 ] - [ 0.0005383900000000, 0.0008821000000000, -0.0017107800000000 ] - [ 0.0000402300000000, -0.0000085800000000, -0.0004859200000000 ] - [ 0.0005951300000000, 0.0009829000000000, -0.0003638000000000 ] - [ -0.0006695700000000, 0.0022607100000000, 0.0009788100000000 ] - [ 0.0000475500000000, -0.0001291700000000, -0.0005602400000000 ] - [ -0.0001180800000000, -0.0001340200000000, -0.0016077800000000 ] - [ 0.0000794200000000, 0.0003254400000000, -0.0009573500000000 ] - [ -0.0012183100000000, 0.0000623000000000, 0.0008954000000000 ] - [ 0.0004858600000000, 0.0002224900000000, -0.0006745600000000 ] - [ 0.0007496500000000, 0.0000852700000000, 0.0004051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041958400000000 ] - [ -0.0009803900000000, 0.0018857600000000, 0.0012502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004419800000000 ] - [ -0.0000502500000000, -0.0005320200000000, -0.0006745600000000 ] - [ -0.0000275500000000, -0.0000305500000000, -0.0004859200000000 ] - [ 0.0007086700000000, 0.0009107000000000, -0.0004266100000000 ] - [ 0.0001237200000000, -0.0002112300000000, -0.0008329400000000 ] - [ -0.0011487800000000, 0.0000239500000000, -0.0003638000000000 ] - [ -0.0009703700000000, 0.0000868000000000, -0.0003576600000000 ] - [ -0.0003858700000000, 0.0000562700000000, -0.0010223400000000 ] - [ -0.0015572700000000, 0.0015616900000000, 0.0010170800000000 ] - [ 0.0004669300000000, -0.0007058500000000, -0.0009533200000000 ] - [ 0.0001890900000000, -0.0004122500000000, -0.0008519800000000 ] - [ 0.0001552300000000, 0.0004374100000000, 0.0013210900000000 ] - [ -0.0010043800000000, 0.0000094500000000, -0.0019267400000000 ] - [ 0.0021311000000000, 0.0005677900000000, 0.0010170800000000 ] - [ -0.0008784400000000, 0.0001321300000000, -0.0003200400000000 ] - [ 0.0005536500000000, -0.0010068500000000, -0.0003638000000000 ] - [ 0.0002421300000000, -0.0002315000000000, -0.0009573500000000 ] - [ -0.0000052500000000, 0.0003950900000000, -0.0002267400000000 ] - [ -0.0004072200000000, 0.0005897000000000, 0.0014701400000000 ] - [ -0.0000570300000000, 0.0001692800000000, -0.0016077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029071300000000 ] - [ 0.0001751100000000, -0.0000352500000000, -0.0016077800000000 ] - [ -0.0079138400000000, 0.0141068000000000, -0.0246254100000000 ] - [ -0.0003215500000000, -0.0000939400000000, -0.0009573500000000 ] - [ -0.0011430200000000, 0.0001583700000000, -0.0004266100000000 ] - [ -0.0004564300000000, -0.0000842700000000, 0.0013210900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006628200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009959500000000 ] - [ -0.0003070900000000, -0.0006475200000000, 0.0014701400000000 ] - [ -0.0001356400000000, 0.0000234100000000, -0.0005602400000000 ] - [ -0.0003395300000000, -0.0002020900000000, -0.0002267400000000 ] - [ 0.0022926200000000, -0.0005504900000000, 0.0009788100000000 ] - [ 0.0000880900000000, 0.0001057600000000, -0.0005602400000000 ] - [ 0.0004343500000000, -0.0010690700000000, -0.0004266100000000 ] - [ -0.0008447500000000, -0.0000514500000000, -0.0009533200000000 ] - [ -0.0003009800000000, -0.0006918500000000, 0.0004051900000000 ] - [ -0.0004356100000000, 0.0003095300000000, -0.0006745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012097100000000 ] - [ 0.0005475500000000, -0.0009196000000000, -0.0011021600000000 ] - [ 0.0005226200000000, 0.0009339900000000, -0.0011021600000000 ] - [ 0.0005603600000000, 0.0007969600000000, -0.0003576600000000 ] - [ 0.0005103700000000, 0.0008651000000000, -0.0019267400000000 ] - [ -0.0010331200000000, 0.0000252100000000, -0.0017107800000000 ] - [ 0.0001442000000000, -0.0003623100000000, -0.0010223400000000 ] - [ 0.0004947200000000, -0.0009073100000000, -0.0017107800000000 ] - [ -0.0082599300000000, -0.0139069900000000, -0.0246254100000000 ] - [ 0.0021233100000000, -0.0000938400000000, 0.0012502000000000 ] - [ 0.0003012000000000, -0.0003531400000000, 0.0013210900000000 ] - [ 0.0005552000000000, -0.0010862400000000, 0.0008954000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012401000000000 ] - [ 0.0004100100000000, -0.0008837600000000, -0.0003576600000000 ] - [ 0.0003447800000000, -0.0001930000000000, -0.0002267400000000 ] - [ 0.0161737700000000, -0.0001998100000000, -0.0246254100000000 ] - [ -0.0011429200000000, -0.0017919200000000, 0.0012502000000000 ] - [ 0.0003778200000000, 0.0007573000000000, -0.0009533200000000 ] - [ 0.0003247900000000, -0.0008268200000000, -0.0003200400000000 ] - [ 0.0000812700000000, -0.0000327500000000, -0.0007177300000000 ] - [ -0.0002669100000000, -0.0001163100000000, 0.0025511700000000 ] - [ -0.0002144500000000, -0.0003318100000000, -0.0006625600000000 ] - [ -0.0014450900000000, 0.0019697100000000, 0.0003912200000000 ] - [ 0.0002528400000000, -0.0000193200000000, -0.0005948600000000 ] - [ 0.0003945800000000, -0.0000198100000000, -0.0006625600000000 ] - [ -0.0001431500000000, -0.0002093100000000, -0.0005948600000000 ] - [ 0.0024283700000000, 0.0002666300000000, 0.0003912200000000 ] - [ -0.0000122700000000, 0.0000867600000000, -0.0007177300000000 ] - [ 0.0000659200000000, -0.0001228000000000, -0.0010760100000000 ] - [ -0.0000690000000000, -0.0000540100000000, -0.0007177300000000 ] - [ -0.0001096900000000, 0.0002286300000000, -0.0005948600000000 ] - [ 0.0000733900000000, 0.0001184900000000, -0.0010760100000000 ] - [ -0.0009832700000000, -0.0022363400000000, 0.0003912200000000 ] - [ -0.0001393100000000, 0.0000043200000000, -0.0010760100000000 ] - [ 0.0002341800000000, -0.0001730000000000, 0.0025511700000000 ] - [ -0.0001801300000000, 0.0003516300000000, -0.0006625600000000 ] - [ 0.0000327300000000, 0.0002893100000000, 0.0025511700000000 ]- atom: 92 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000393300000000, 0.0002668900000000, 0.0003151900000000 ] - [ -0.0000440900000000, 0.0000949200000000, 0.0002273200000000 ] - [ -0.0000454200000000, 0.0000636400000000, 0.0001927000000000 ] - [ 0.0000015300000000, -0.0001461600000000, 0.0001753300000000 ] - [ -0.0004939500000000, 0.0005343500000000, -0.0005457100000000 ] - [ -0.0003743900000000, 0.0018195600000000, -0.0004016800000000 ] - [ 0.0040646400000000, -0.0024928200000000, -0.0005132500000000 ] - [ 0.0002565300000000, -0.0001336100000000, -0.0001643800000000 ] - [ -0.0000492900000000, 0.0003100100000000, -0.0002306900000000 ] - [ -0.0025401100000000, -0.0027070800000000, 0.0002401300000000 ] - [ 0.0000488100000000, 0.0001609700000000, 0.0001856300000000 ] - [ -0.0002561800000000, -0.0015284100000000, 0.0010383500000000 ] - [ -0.0001451300000000, -0.0001963200000000, -0.0003093100000000 ] - [ 0.0001403100000000, -0.0000283900000000, 0.0002425500000000 ] - [ -0.0001407400000000, 0.0002318000000000, 0.0000514900000000 ] - [ -0.0001113000000000, -0.0001109900000000, 0.0002198800000000 ] - [ 0.0001355300000000, 0.0000458800000000, 0.0002317500000000 ] - [ 0.0001051100000000, 0.0000374900000000, 0.0002103700000000 ] - [ -0.0000694800000000, 0.0001214700000000, -0.0001629100000000 ] - [ 0.0007552000000000, 0.0008443500000000, -0.0001159500000000 ] - [ -0.0012580700000000, 0.0002308900000000, -0.0000600200000000 ] - [ -0.0002604900000000, 0.0000815600000000, 0.0002017400000000 ] - [ -0.0000114000000000, -0.0002100100000000, 0.0002493300000000 ] - [ 0.0000386000000000, -0.0000432300000000, 0.0001896100000000 ] - [ 0.0002544000000000, -0.0000037300000000, 0.0002591000000000 ] - [ 0.0022615800000000, -0.0005151600000000, 0.0003285200000000 ] - [ 0.0002855000000000, -0.0005044400000000, 0.0002348500000000 ] - [ -0.0001931600000000, -0.0002672700000000, 0.0001616000000000 ] - [ 0.0001444100000000, 0.0001467500000000, 0.0002694500000000 ] - [ 0.0000101700000000, 0.0001077800000000, 0.0003239400000000 ] - [ 0.0009079700000000, -0.0004578200000000, -0.0002331800000000 ] - [ -0.0000037300000000, -0.0006143400000000, -0.0001226500000000 ] - [ 0.0003290100000000, 0.0001673500000000, 0.0001728600000000 ] - [ -0.0001789200000000, -0.0000229600000000, 0.0003057200000000 ] - [ 0.0013318500000000, 0.0014405900000000, -0.0020876700000000 ] - [ -0.0000663300000000, -0.0000523300000000, 0.0002096200000000 ] - [ 0.0045291500000000, 0.0003945100000000, 0.0005327600000000 ] - [ -0.0002310900000000, -0.0002456900000000, -0.0001245000000000 ] - [ -0.0030801100000000, 0.0018677700000000, 0.0002400300000000 ] - [ -0.0000949500000000, 0.0000553000000000, 0.0003163500000000 ] - [ -0.0005112400000000, -0.0008091000000000, 0.0002627500000000 ] - [ 0.0001289200000000, -0.0000897200000000, 0.0001516600000000 ] - [ -0.0008198500000000, -0.0002311600000000, -0.0005488200000000 ] - [ -0.0002416600000000, 0.0006031400000000, -0.0001399000000000 ] - [ -0.0001096100000000, -0.0003993800000000, 0.0001504700000000 ] - [ 0.0002503300000000, -0.0000990700000000, 0.0003005700000000 ] - [ -0.0010062800000000, 0.0003650300000000, -0.0005728300000000 ] - [ 0.0000115100000000, 0.0001665600000000, 0.0003253900000000 ] - [ -0.0001642000000000, 0.0002043100000000, 0.0000157000000000 ] - [ 0.0000786700000000, 0.0004701700000000, -0.0001625500000000 ] - [ -0.0001333200000000, -0.0001415300000000, 0.0005161800000000 ] - [ -0.0002071100000000, 0.0000482200000000, 0.0002519200000000 ] - [ -0.0001947800000000, 0.0000647300000000, 0.0001766400000000 ] - [ 0.0002419400000000, 0.0014338800000000, 0.0012468200000000 ] - [ -0.0000053600000000, -0.0000493500000000, 0.0001763800000000 ] - [ 0.0004208700000000, -0.0000967900000000, 0.0001585000000000 ] - [ -0.0006134800000000, -0.0013690600000000, -0.0001890100000000 ] - [ -0.0002073100000000, -0.0001294900000000, 0.0003304900000000 ] - [ -0.0001268700000000, -0.0001036200000000, 0.0000769300000000 ] - [ -0.0000040700000000, -0.0000123500000000, 0.0008270100000000 ] - [ -0.0006406700000000, 0.0000299800000000, -0.0036004500000000 ] - [ -0.0009882700000000, -0.0001849600000000, -0.0007010100000000 ] - [ 0.0001673000000000, -0.0001514100000000, 0.0001862100000000 ] - [ 0.0000896300000000, -0.0000451200000000, 0.0003479600000000 ] - [ -0.0000942400000000, 0.0001133500000000, 0.0004451400000000 ] - [ 0.1412735800000000, 0.1011690300000000, -0.0405202600000000 ] - [ -0.0004510700000000, -0.0001192300000000, -0.0002682300000000 ] - [ 0.0014341000000000, 0.0024690100000000, -0.0011982900000000 ] - [ 0.0005496800000000, 0.0002495300000000, -0.0005833100000000 ] - [ -0.0000698900000000, -0.0001154300000000, 0.0004363900000000 ] - [ -0.0008120700000000, 0.0000812800000000, -0.0006208700000000 ] - [ -0.0026172800000000, 0.0005813600000000, 0.0011973400000000 ] - [ 0.0006455000000000, 0.0002544500000000, -0.0001741900000000 ] - [ 0.0004050300000000, -0.0029180900000000, -0.0008749400000000 ] - [ -0.0026511000000000, 0.0001978700000000, -0.0004115300000000 ] - [ 0.0014681700000000, -0.0034642600000000, -0.0022974400000000 ] - [ 0.0000123300000000, -0.0000094500000000, 0.0004727100000000 ] - [ -0.0000997400000000, 0.0000566700000000, 0.0005471300000000 ] - [ -0.0035714200000000, 0.0041171900000000, 0.0025021200000000 ] - [ 0.0000539200000000, -0.0001061000000000, 0.0002177200000000 ] - [ -0.0004512000000000, -0.0001535900000000, -0.0002895400000000 ] - [ 0.0006327100000000, 0.0003767900000000, 0.0005650600000000 ] - [ -0.0001797500000000, -0.0000871300000000, 0.0004922900000000 ] - [ 0.0000329600000000, -0.0000090600000000, 0.0002105600000000 ] - [ 0.0000212500000000, 0.0000066200000000, -0.0001639400000000 ] - [ -0.0000301600000000, -0.0000108100000000, -0.0001919700000000 ] - [ 0.0000060400000000, 0.0000057700000000, 0.0001227000000000 ] - [ 0.0000442300000000, -0.0000203000000000, 0.0000748000000000 ] - [ 0.0002179300000000, 0.0000806400000000, 0.0001435600000000 ] - [ 0.0002568400000000, 0.0000241700000000, 0.0001337000000000 ] - [ 0.0000805600000000, 0.0000337000000000, 0.0005106600000000 ] - [ -0.1544060000000000, -0.1383575500000000, 0.0557633500000000 ] - [ -0.0001188800000000, -0.0015566900000000, 0.0011334500000000 ] - [ -0.0004627700000000, 0.0005421700000000, 0.0001071800000000 ] - [ 0.0004754600000000, 0.0014059000000000, -0.0004495600000000 ] - [ 0.0000280800000000, 0.0000276700000000, -0.0005125400000000 ] - [ -0.0001210100000000, -0.0000664300000000, 0.0001814300000000 ] - [ -0.0002576300000000, 0.0001862400000000, 0.0001359200000000 ] - [ 0.0006200400000000, 0.0001061000000000, 0.0003864600000000 ] - [ -0.0012457700000000, -0.0000518700000000, -0.0005420300000000 ] - [ 0.0012017100000000, -0.0006320600000000, -0.0003441000000000 ] - [ -0.0000147400000000, -0.0000813900000000, -0.0002455300000000 ] - [ 0.0276894200000000, 0.0395960900000000, -0.0072093900000000 ] - [ 0.0005725400000000, 0.0008438000000000, -0.0005727000000000 ] - [ -0.0000037900000000, -0.0001028200000000, 0.0000385300000000 ] - [ -0.0003458800000000, -0.0001227700000000, 0.0000908100000000 ] - [ 0.0003457300000000, 0.0001155100000000, 0.0001163800000000 ] - [ 0.0003993400000000, -0.0002141800000000, 0.0000608200000000 ] - [ -0.0003621100000000, -0.0004426800000000, 0.0003524200000000 ] - [ 0.0005299900000000, -0.0010387500000000, -0.0007754400000000 ] - [ -0.0003663200000000, 0.0005684700000000, 0.0013882200000000 ] - [ 0.0001445300000000, -0.0002489100000000, -0.0003239100000000 ] - [ -0.0000633300000000, 0.0000819100000000, -0.0001665100000000 ] - [ 0.0006168500000000, 0.0000057600000000, 0.0002903300000000 ] - [ 0.0000250600000000, 0.0002777900000000, 0.0000698100000000 ] - [ -0.0009249600000000, -0.0002882900000000, 0.0009844100000000 ] - [ -0.0002437300000000, 0.0000228200000000, -0.0001934000000000 ] - [ 0.0002397000000000, 0.0001280000000000, 0.0001366400000000 ] - [ -0.0006469400000000, 0.0002518500000000, -0.0002589500000000 ] - [ -0.0166290500000000, -0.0140867400000000, 0.0004085300000000 ] - [ -0.0012027900000000, 0.0006516900000000, 0.0006534800000000 ] - [ 0.0001988600000000, 0.0012751800000000, 0.0000658800000000 ] - [ 0.0018813300000000, -0.0006912600000000, -0.0001805500000000 ] - [ -0.0001028300000000, -0.0002540100000000, 0.0001010000000000 ] - [ 0.0000706900000000, 0.0000339200000000, -0.0003378100000000 ] - [ 0.0037258400000000, -0.0021654400000000, -0.0032897100000000 ] - [ -0.0002610800000000, -0.0002677900000000, -0.0004083600000000 ] - [ 0.0017213700000000, 0.0004672400000000, 0.0000591100000000 ] - [ -0.0001828500000000, 0.0002525000000000, 0.0002151300000000 ] - [ -0.0002562100000000, 0.0001290200000000, 0.0002351500000000 ] - [ 0.0014657300000000, -0.0005314900000000, -0.0013171700000000 ] - [ -0.0000310300000000, 0.0018477500000000, 0.0009490100000000 ] - [ -0.0001421100000000, -0.0001461300000000, 0.0001547400000000 ] - [ -0.0002392900000000, 0.0005017200000000, 0.0004114900000000 ] - [ 0.0004853600000000, -0.0006622900000000, -0.0017223000000000 ] - [ -0.0001210100000000, -0.0000608400000000, 0.0001360100000000 ] - [ -0.0000223200000000, 0.0005260100000000, 0.0002922300000000 ] - [ 0.0000978700000000, 0.0001462000000000, 0.0001870100000000 ] - [ -0.0011753800000000, -0.0008071900000000, 0.0001725100000000 ] - [ -0.0001102000000000, 0.0018766800000000, 0.0021841900000000 ] - [ -0.0003298300000000, -0.0001726000000000, -0.0000248100000000 ] - [ -0.0117343500000000, 0.0088024900000000, -0.0074079000000000 ] - [ 0.0000380200000000, 0.0001016100000000, -0.0004191300000000 ] - [ -0.0002986900000000, -0.0004235300000000, 0.0003836100000000 ] - [ 0.0007607800000000, 0.0004352000000000, 0.0001568000000000 ] - [ 0.0002135600000000, -0.0001234000000000, 0.0002491800000000 ] - [ -0.0000361900000000, -0.0002867800000000, 0.0001961200000000 ] - [ -0.0001029100000000, -0.0000875100000000, 0.0000660900000000 ] - [ 0.0011345600000000, 0.0001722800000000, -0.0010653600000000 ] - [ -0.0000470800000000, -0.0000682400000000, -0.0003337400000000 ] - [ 0.0000714400000000, -0.0000097700000000, -0.0002185600000000 ] - [ 0.0001026000000000, 0.0001723300000000, -0.0001749300000000 ] - [ 0.0002774100000000, 0.0001093600000000, 0.0006673900000000 ] - [ 0.0002357200000000, -0.0006822500000000, -0.0004314500000000 ] - [ 0.0000644600000000, 0.0004429900000000, -0.0004760800000000 ] - [ -0.0000049200000000, -0.0003419400000000, -0.0001105800000000 ] - [ 0.0007950600000000, 0.0004613800000000, -0.0003440400000000 ] - [ -0.0005776200000000, 0.0001266700000000, -0.0005736000000000 ] - [ -0.0001219900000000, -0.0008135400000000, -0.0001785700000000 ] - [ 0.0005940200000000, -0.0007810800000000, -0.0005393200000000 ] - [ 0.0002181000000000, 0.0000149500000000, 0.0002755600000000 ] - [ 0.0002245100000000, -0.0001421600000000, 0.0001715600000000 ] - [ -0.0002622800000000, -0.0000505200000000, -0.0001951600000000 ] - [ 0.0004482100000000, -0.0000959200000000, -0.0006047400000000 ] - [ 0.0001966000000000, -0.0000063100000000, 0.0001147400000000 ] - [ 0.0011756800000000, -0.0001207600000000, 0.0000394800000000 ] - [ 0.0000034100000000, 0.0003081900000000, 0.0002257600000000 ] - [ 0.0003473600000000, -0.0000353400000000, 0.0000509700000000 ] - [ -0.0002753600000000, -0.0001762700000000, 0.0001259600000000 ] - [ -0.0000181200000000, 0.0000434100000000, -0.0004370900000000 ] - [ -0.0000298500000000, -0.0001853200000000, 0.0002662300000000 ] - [ -0.0000647000000000, 0.0004866100000000, -0.0007471500000000 ] - [ -0.0000742100000000, -0.0001577000000000, 0.0000108800000000 ] - [ 0.0026933400000000, -0.0013150500000000, 0.0015882000000000 ] - [ -0.0001187900000000, 0.0004226500000000, -0.0000238900000000 ] - [ -0.0000273100000000, 0.0000283000000000, -0.0001578200000000 ] - [ 0.0004245600000000, -0.0015750200000000, -0.0004781000000000 ] - [ -0.0000545300000000, -0.0000402300000000, -0.0000389400000000 ] - [ -0.0000541900000000, -0.0000441800000000, -0.0000394400000000 ] - [ 0.0005031900000000, 0.0000133500000000, 0.0004447500000000 ] - [ 0.0027256600000000, -0.0000573900000000, 0.0005352200000000 ] - [ -0.0001821600000000, -0.0002270400000000, -0.0000587500000000 ] - [ 0.0000784700000000, 0.0000207800000000, 0.0000573800000000 ] - [ -0.0001257200000000, -0.0002838700000000, -0.0002308700000000 ] - [ 0.0002503700000000, -0.0004283000000000, 0.0005851700000000 ] - [ 0.0008861800000000, 0.0049439200000000, -0.0018045700000000 ] - [ 0.0001448700000000, 0.0000970900000000, 0.0000038900000000 ] - [ 0.0000126100000000, 0.0014498200000000, -0.0001410800000000 ] - [ -0.0000687500000000, 0.0000671800000000, 0.0001104500000000 ]- atom: 92 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000137300000000, 0.0001497600000000, 0.0001083500000000 ] - [ -0.0000721300000000, 0.0001368100000000, 0.0001178200000000 ] - [ -0.0000062700000000, 0.0000408700000000, 0.0000850900000000 ] - [ 0.0000135200000000, -0.0001302600000000, 0.0000778900000000 ] - [ 0.0002469300000000, -0.0000869000000000, 0.0001062500000000 ] - [ 0.0001742400000000, -0.0021825900000000, 0.0003934900000000 ] - [ -0.0035655000000000, 0.0025194700000000, 0.0004975600000000 ] - [ -0.0005120600000000, -0.0003129800000000, -0.0002682000000000 ] - [ -0.0000785900000000, -0.0000624200000000, 0.0003457400000000 ] - [ 0.0023034600000000, 0.0031027700000000, -0.0002578800000000 ] - [ -0.0000366100000000, 0.0001296500000000, 0.0000613300000000 ] - [ 0.0001019000000000, 0.0010772900000000, -0.0012756800000000 ] - [ -0.0000563300000000, -0.0002152200000000, -0.0002894200000000 ] - [ -0.0001088900000000, -0.0001301900000000, 0.0002587100000000 ] - [ 0.0005682100000000, -0.0003409300000000, -0.0003035200000000 ] - [ -0.0000106200000000, -0.0000992000000000, 0.0001293200000000 ] - [ 0.0001229400000000, -0.0000301800000000, 0.0001136100000000 ] - [ 0.0001405900000000, 0.0001182600000000, 0.0000372500000000 ] - [ 0.0000386100000000, 0.0001686900000000, 0.0002857100000000 ] - [ -0.0009441900000000, -0.0004163400000000, -0.0005027600000000 ] - [ 0.0017077700000000, -0.0002383600000000, 0.0000475200000000 ] - [ 0.0005253200000000, 0.0000379400000000, -0.0000782200000000 ] - [ 0.0000667700000000, -0.0002198600000000, 0.0001713800000000 ] - [ 0.0000768000000000, 0.0000502400000000, 0.0000876000000000 ] - [ 0.0000223600000000, 0.0000103000000000, 0.0003359000000000 ] - [ -0.0025165400000000, 0.0001498000000000, -0.0009201900000000 ] - [ -0.0003946000000000, 0.0007113500000000, -0.0005749500000000 ] - [ 0.0000392600000000, 0.0002115700000000, 0.0003380200000000 ] - [ 0.0001882500000000, 0.0001077700000000, 0.0001533400000000 ] - [ 0.0000054300000000, 0.0000518500000000, 0.0001737600000000 ] - [ -0.0001704300000000, 0.0004178200000000, 0.0002750200000000 ] - [ 0.0005096800000000, 0.0006205100000000, -0.0003149400000000 ] - [ -0.0001966500000000, -0.0000721700000000, 0.0003239100000000 ] - [ 0.0003117500000000, -0.0000849300000000, 0.0001891600000000 ] - [ -0.0008790100000000, -0.0013223100000000, 0.0018217800000000 ] - [ -0.0001807400000000, -0.0000723300000000, 0.0000429100000000 ] - [ -0.0044100600000000, 0.0004211000000000, -0.0004084700000000 ] - [ 0.0001003800000000, 0.0006696900000000, -0.0001283400000000 ] - [ 0.0027044100000000, -0.0025317000000000, -0.0002049000000000 ] - [ -0.0000399700000000, -0.0002844500000000, -0.0001946300000000 ] - [ 0.0009789200000000, 0.0008503400000000, -0.0008568700000000 ] - [ 0.0001049400000000, -0.0000915500000000, 0.0000960700000000 ] - [ 0.0007071500000000, 0.0000381300000000, 0.0002007000000000 ] - [ 0.0000217500000000, -0.0002121300000000, 0.0001278500000000 ] - [ 0.0000774100000000, 0.0001006100000000, -0.0000376500000000 ] - [ 0.0000868400000000, -0.0001506600000000, 0.0001217200000000 ] - [ 0.0007162000000000, -0.0000006700000000, -0.0000217200000000 ] - [ -0.0002527400000000, -0.0003418700000000, -0.0002134100000000 ] - [ -0.0000668600000000, -0.0000315000000000, 0.0001027200000000 ] - [ 0.0001607400000000, -0.0004600000000000, -0.0001820500000000 ] - [ -0.0000295100000000, 0.0002024900000000, -0.0000199100000000 ] - [ -0.0001779700000000, 0.0001173600000000, 0.0001683600000000 ] - [ -0.0000803000000000, 0.0000476600000000, 0.0000715500000000 ] - [ -0.0005587600000000, -0.0011010700000000, -0.0014916200000000 ] - [ -0.0000597100000000, -0.0000633100000000, 0.0000947200000000 ] - [ -0.0001554200000000, -0.0000158200000000, -0.0000380800000000 ] - [ 0.0003878600000000, 0.0009811600000000, 0.0001804300000000 ] - [ -0.0001935000000000, -0.0000373400000000, 0.0000902100000000 ] - [ -0.0000136000000000, -0.0001375600000000, 0.0005176700000000 ] - [ -0.0001273300000000, 0.0002563500000000, -0.0002292600000000 ] - [ 0.0010962700000000, -0.0001013700000000, 0.0030153600000000 ] - [ 0.0006753400000000, -0.0001536900000000, 0.0004512700000000 ] - [ 0.0001095300000000, 0.0001614700000000, -0.0000692900000000 ] - [ -0.0000367700000000, -0.0000472800000000, 0.0002541900000000 ] - [ 0.0000239700000000, 0.0000023200000000, -0.0002177400000000 ] - [ -0.1417993900000000, -0.1046670400000000, 0.0420831600000000 ] - [ 0.0004487400000000, 0.0001162600000000, -0.0007332400000000 ] - [ -0.0011597400000000, -0.0019866700000000, 0.0010933900000000 ] - [ -0.0005493900000000, -0.0002462500000000, -0.0004322400000000 ] - [ 0.0000707600000000, 0.0001165900000000, 0.0004762900000000 ] - [ 0.0008164900000000, -0.0000774700000000, -0.0000457700000000 ] - [ 0.0028454100000000, -0.0001699700000000, -0.0016685400000000 ] - [ -0.0010993800000000, -0.0002636800000000, -0.0002891800000000 ] - [ -0.0009926300000000, 0.0029237300000000, 0.0007723900000000 ] - [ 0.0026248300000000, -0.0002059000000000, 0.0005654400000000 ] - [ -0.0012147900000000, 0.0030356300000000, 0.0018096200000000 ] - [ -0.0001185200000000, 0.0000080900000000, 0.0001298500000000 ] - [ 0.0001550600000000, 0.0000421800000000, 0.0000611200000000 ] - [ 0.0038410200000000, -0.0045681200000000, -0.0025886200000000 ] - [ 0.0000794900000000, 0.0001027300000000, 0.0000077000000000 ] - [ 0.0004637800000000, 0.0001405800000000, -0.0002789600000000 ] - [ -0.0006421100000000, -0.0003630900000000, -0.0011206000000000 ] - [ 0.0001815400000000, 0.0000898000000000, 0.0001831900000000 ] - [ -0.0001024800000000, -0.0001104400000000, 0.0000174700000000 ] - [ -0.0000229100000000, -0.0000105300000000, -0.0000787900000000 ] - [ 0.0000270400000000, 0.0000075600000000, -0.0000514200000000 ] - [ -0.0000041500000000, -0.0000018500000000, 0.0002070800000000 ] - [ 0.0000726900000000, -0.0001805400000000, 0.0001940900000000 ] - [ 0.0002144500000000, 0.0000960900000000, 0.0004321800000000 ] - [ 0.0003806100000000, -0.0000281300000000, 0.0002643100000000 ] - [ -0.0000810500000000, -0.0000341100000000, 0.0005021600000000 ] - [ 0.1552404300000000, 0.1425467200000000, -0.0578312300000000 ] - [ 0.0002766400000000, 0.0018281200000000, -0.0012412500000000 ] - [ 0.0001735200000000, -0.0005312400000000, -0.0002070900000000 ] - [ -0.0002076600000000, -0.0012542000000000, -0.0000632800000000 ] - [ -0.0000303200000000, -0.0000308700000000, -0.0002521900000000 ] - [ 0.0002039800000000, 0.0000629600000000, 0.0002546500000000 ] - [ -0.0002481400000000, 0.0002119600000000, 0.0002119600000000 ] - [ 0.0004912000000000, -0.0001005900000000, 0.0003933400000000 ] - [ -0.0004165400000000, -0.0000020200000000, -0.0003972900000000 ] - [ -0.0009998800000000, 0.0003648500000000, -0.0003054200000000 ] - [ -0.0000789900000000, -0.0000811900000000, 0.0000271400000000 ] - [ -0.0289206400000000, -0.0405126800000000, 0.0065881600000000 ] - [ 0.0002994800000000, 0.0005675800000000, -0.0003706300000000 ] - [ -0.0002298800000000, 0.0001032900000000, 0.0002305700000000 ] - [ 0.0006152400000000, 0.0005717000000000, -0.0003312800000000 ] - [ 0.0002258800000000, 0.0001240000000000, 0.0002320100000000 ] - [ -0.0005200200000000, 0.0004165600000000, -0.0000566100000000 ] - [ 0.0002308100000000, 0.0002157000000000, -0.0007156700000000 ] - [ -0.0005373100000000, 0.0013267700000000, 0.0002636800000000 ] - [ 0.0003145500000000, -0.0004922800000000, -0.0009386300000000 ] - [ 0.0000858700000000, -0.0001434800000000, 0.0000145200000000 ] - [ -0.0000326700000000, 0.0000682600000000, -0.0000501000000000 ] - [ -0.0006109500000000, 0.0000002600000000, -0.0003220300000000 ] - [ -0.0001027000000000, 0.0003363700000000, 0.0002780600000000 ] - [ 0.0009216100000000, 0.0002832700000000, 0.0006549800000000 ] - [ -0.0002102600000000, -0.0000187400000000, -0.0001145600000000 ] - [ -0.0001243600000000, 0.0000710500000000, 0.0001305200000000 ] - [ 0.0004255300000000, -0.0002524400000000, -0.0000711900000000 ] - [ 0.0168120200000000, 0.0140257400000000, -0.0011296400000000 ] - [ 0.0006630000000000, -0.0006405800000000, -0.0008865900000000 ] - [ 0.0000473000000000, -0.0008062400000000, -0.0002994200000000 ] - [ -0.0021305800000000, 0.0008453600000000, -0.0003344600000000 ] - [ -0.0002171300000000, -0.0003009000000000, 0.0002991100000000 ] - [ 0.0000576300000000, -0.0000275500000000, -0.0001619400000000 ] - [ -0.0035402800000000, 0.0018957700000000, 0.0031519400000000 ] - [ 0.0001789200000000, 0.0001164900000000, 0.0007034500000000 ] - [ -0.0020314500000000, -0.0004952800000000, -0.0007035500000000 ] - [ -0.0001411400000000, 0.0002974100000000, 0.0001839500000000 ] - [ -0.0001180000000000, 0.0001539100000000, 0.0003424000000000 ] - [ -0.0012045800000000, 0.0000459000000000, 0.0010838000000000 ] - [ 0.0003019000000000, -0.0019955000000000, -0.0014684400000000 ] - [ -0.0002132800000000, -0.0001316900000000, 0.0004190500000000 ] - [ -0.0003126300000000, 0.0004626900000000, 0.0003683300000000 ] - [ -0.0006137200000000, 0.0008923100000000, 0.0013527600000000 ] - [ 0.0001188700000000, 0.0000587300000000, 0.0008715800000000 ] - [ 0.0002968200000000, -0.0005196300000000, -0.0006533900000000 ] - [ -0.0001858900000000, 0.0000132600000000, 0.0001123800000000 ] - [ 0.0009196700000000, 0.0006522200000000, -0.0006812800000000 ] - [ 0.0002065800000000, -0.0020501000000000, -0.0024864900000000 ] - [ 0.0005063700000000, 0.0001726300000000, 0.0003211900000000 ] - [ 0.0119312100000000, -0.0087358900000000, 0.0073686700000000 ] - [ -0.0000372300000000, -0.0000983200000000, -0.0004585200000000 ] - [ -0.0002557300000000, -0.0005350900000000, 0.0003958800000000 ] - [ -0.0005249600000000, -0.0004363800000000, -0.0001526400000000 ] - [ 0.0002179700000000, -0.0000586200000000, 0.0003286300000000 ] - [ -0.0000434300000000, -0.0003402000000000, 0.0001523400000000 ] - [ -0.0000184800000000, -0.0001184100000000, -0.0000619700000000 ] - [ -0.0010266900000000, 0.0000065300000000, 0.0007452400000000 ] - [ -0.0000122800000000, -0.0000341500000000, -0.0001670100000000 ] - [ 0.0001057000000000, 0.0000024300000000, 0.0000014300000000 ] - [ 0.0001253900000000, 0.0002228500000000, -0.0001351500000000 ] - [ -0.0002779300000000, -0.0001122700000000, 0.0009582400000000 ] - [ 0.0006300000000000, -0.0007348200000000, -0.0005079700000000 ] - [ 0.0007181000000000, 0.0010133600000000, -0.0004642500000000 ] - [ 0.0002740100000000, -0.0001051000000000, -0.0001247200000000 ] - [ -0.0006518800000000, -0.0001493100000000, -0.0003067900000000 ] - [ -0.0010827000000000, -0.0000829600000000, -0.0003696500000000 ] - [ 0.0001179100000000, 0.0005165400000000, -0.0003317600000000 ] - [ 0.0001923600000000, -0.0006864400000000, -0.0004034400000000 ] - [ -0.0003046800000000, -0.0001561400000000, 0.0000296900000000 ] - [ 0.0003711100000000, -0.0000968000000000, 0.0001766200000000 ] - [ 0.0001770000000000, 0.0001854200000000, 0.0004951100000000 ] - [ -0.0004922200000000, 0.0000163300000000, 0.0010500400000000 ] - [ -0.0002011400000000, -0.0000004800000000, -0.0002011000000000 ] - [ -0.0017174500000000, 0.0000995500000000, -0.0002740700000000 ] - [ -0.0000668800000000, 0.0001551000000000, 0.0003507500000000 ] - [ -0.0001858300000000, 0.0000319000000000, 0.0002541700000000 ] - [ -0.0002290500000000, -0.0002062800000000, 0.0002217900000000 ] - [ -0.0000411200000000, 0.0000706400000000, -0.0000631400000000 ] - [ -0.0000336700000000, -0.0002597700000000, 0.0003087400000000 ] - [ 0.0001034900000000, -0.0005685500000000, 0.0007012300000000 ] - [ -0.0000401700000000, -0.0000407100000000, 0.0001440000000000 ] - [ -0.0026684600000000, 0.0012786700000000, -0.0014085200000000 ] - [ -0.0003441800000000, -0.0004135600000000, 0.0003544300000000 ] - [ 0.0000502000000000, -0.0000709700000000, 0.0002377500000000 ] - [ -0.0004242100000000, 0.0015730000000000, 0.0006429300000000 ] - [ 0.0000046600000000, 0.0000392700000000, 0.0001198600000000 ] - [ 0.0002907100000000, 0.0004530800000000, 0.0003689100000000 ] - [ -0.0004608700000000, 0.0000582800000000, -0.0004953400000000 ] - [ -0.0027192300000000, 0.0000837600000000, -0.0012546300000000 ] - [ 0.0000874900000000, 0.0002211200000000, 0.0000188900000000 ] - [ -0.0000547800000000, 0.0000191200000000, 0.0000204800000000 ] - [ 0.0001043200000000, 0.0003028200000000, -0.0004832800000000 ] - [ -0.0000136200000000, 0.0000248700000000, -0.0002497400000000 ] - [ -0.0008624800000000, -0.0049098100000000, 0.0010680200000000 ] - [ 0.0000902400000000, -0.0000934000000000, 0.0001491500000000 ] - [ -0.0000210700000000, -0.0014593000000000, 0.0003076200000000 ] - [ -0.0000472300000000, 0.0001368400000000, 0.0000435800000000 ]- atom: 92 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000056900000000, 0.0003002600000000, 0.0003122900000000 ] - [ -0.0000836900000000, 0.0000785700000000, 0.0002597000000000 ] - [ 0.0000029200000000, 0.0000430100000000, 0.0002007800000000 ] - [ 0.0000313900000000, -0.0001878000000000, 0.0001781500000000 ] - [ 0.0002983800000000, 0.0000812500000000, -0.0001152800000000 ] - [ 0.0034881600000000, -0.0011418200000000, 0.0001812200000000 ] - [ -0.0020470000000000, 0.0038629100000000, 0.0003449200000000 ] - [ 0.0003182600000000, -0.0010260500000000, -0.0007913400000000 ] - [ -0.0000960700000000, 0.0004431200000000, -0.0000324100000000 ] - [ -0.0010707800000000, 0.0001125700000000, -0.0002322800000000 ] - [ 0.0000031300000000, 0.0001562000000000, 0.0001541000000000 ] - [ -0.0011702300000000, -0.0011833000000000, 0.0010810000000000 ] - [ 0.0001729800000000, -0.0009923200000000, -0.0006440200000000 ] - [ 0.0001819000000000, -0.0000208400000000, 0.0005191900000000 ] - [ 0.0006640000000000, -0.0002311200000000, -0.0005301700000000 ] - [ -0.0000699900000000, -0.0001207300000000, 0.0002254500000000 ] - [ 0.0001692600000000, -0.0000354800000000, 0.0002278500000000 ] - [ 0.0000932900000000, 0.0000790600000000, 0.0001876000000000 ] - [ -0.0000865300000000, 0.0002475700000000, 0.0000129700000000 ] - [ 0.0003694600000000, -0.0005216700000000, -0.0037361700000000 ] - [ 0.0005521900000000, 0.0000498700000000, -0.0001259000000000 ] - [ 0.0002558400000000, 0.0000788600000000, 0.0000218300000000 ] - [ 0.0000167800000000, -0.0001897700000000, 0.0002571500000000 ] - [ 0.0000288500000000, -0.0000322100000000, 0.0001829800000000 ] - [ 0.0001474400000000, -0.0000551900000000, 0.0000792200000000 ] - [ -0.0016672500000000, 0.0016757800000000, 0.0006520900000000 ] - [ -0.0003996900000000, -0.0009832100000000, 0.0005184700000000 ] - [ -0.0002416800000000, -0.0002659000000000, 0.0001544300000000 ] - [ 0.0001881000000000, 0.0001171500000000, 0.0002722600000000 ] - [ 0.0001581900000000, -0.0001332700000000, 0.0003065600000000 ] - [ -0.0005097500000000, -0.0038414500000000, 0.0002919000000000 ] - [ -0.0000762400000000, -0.0004193100000000, -0.0002519300000000 ] - [ 0.0002266200000000, 0.0001699200000000, -0.0000445200000000 ] - [ 0.0000859300000000, -0.0000309800000000, 0.0003339400000000 ] - [ 0.0012572400000000, 0.0010994400000000, 0.0012178500000000 ] - [ -0.0001440400000000, -0.0000035600000000, 0.0002159400000000 ] - [ -0.0041492000000000, 0.0020888300000000, -0.0004988800000000 ] - [ -0.0004694600000000, -0.0003549200000000, -0.0000009900000000 ] - [ 0.0013803600000000, 0.0008593700000000, -0.0003745700000000 ] - [ -0.0000862900000000, 0.0000410500000000, 0.0000550500000000 ] - [ -0.0005534200000000, 0.0000229300000000, 0.0000594600000000 ] - [ 0.0001086000000000, -0.0000445900000000, 0.0001898800000000 ] - [ -0.0000663300000000, -0.0001617300000000, -0.0002191900000000 ] - [ 0.0007803300000000, -0.0011030300000000, -0.0000801400000000 ] - [ -0.0001901100000000, -0.0003671400000000, 0.0001580600000000 ] - [ 0.0002196100000000, -0.0000810000000000, 0.0003246100000000 ] - [ 0.0002917000000000, 0.0004299600000000, -0.0003209700000000 ] - [ -0.0000698200000000, -0.0001311900000000, -0.0001704700000000 ] - [ 0.0000954600000000, -0.0002644300000000, 0.0002139100000000 ] - [ 0.0007100500000000, -0.0006597100000000, -0.0005021900000000 ] - [ -0.0002370300000000, -0.0000335700000000, 0.0003991300000000 ] - [ -0.0002246500000000, 0.0000422500000000, 0.0002678300000000 ] - [ -0.0001071400000000, 0.0000839900000000, 0.0001918200000000 ] - [ 0.0005066500000000, 0.0019723600000000, -0.0023046200000000 ] - [ -0.0000028600000000, -0.0000855000000000, 0.0001750700000000 ] - [ -0.0000275100000000, -0.0000820200000000, 0.0006398700000000 ] - [ -0.0010373600000000, -0.0012313300000000, -0.0002243100000000 ] - [ -0.0002389800000000, -0.0001175900000000, 0.0003443900000000 ] - [ 0.0000777700000000, 0.0001392100000000, 0.0005734300000000 ] - [ -0.0002384500000000, 0.0003499900000000, 0.0004172200000000 ] - [ 0.0003408700000000, 0.0011333200000000, -0.0003134000000000 ] - [ -0.0002715200000000, 0.0002153000000000, -0.0000493800000000 ] - [ 0.0000097900000000, -0.0001531500000000, 0.0003461400000000 ] - [ -0.0000074400000000, 0.0000184600000000, 0.0003532000000000 ] - [ -0.0000240200000000, 0.0001407600000000, 0.0002285200000000 ] - [ 0.0166863400000000, 0.1898482000000000, -0.0455870300000000 ] - [ 0.0000419600000000, -0.0001374600000000, -0.0004149100000000 ] - [ 0.0059430100000000, -0.0009723100000000, 0.0024665300000000 ] - [ -0.0000509900000000, 0.0006429700000000, -0.0006095600000000 ] - [ 0.0001007400000000, -0.0003556000000000, 0.0002962400000000 ] - [ -0.0001133100000000, -0.0026898600000000, -0.0003930700000000 ] - [ -0.0002093300000000, 0.0012226900000000, -0.0000247400000000 ] - [ 0.0013712600000000, -0.0024380200000000, 0.0012547000000000 ] - [ -0.0031681400000000, -0.0009843900000000, -0.0010051900000000 ] - [ -0.0008096000000000, -0.0008312000000000, -0.0001606500000000 ] - [ -0.0039641800000000, -0.0004854100000000, -0.0025912600000000 ] - [ 0.0000285000000000, -0.0001146700000000, 0.0005650700000000 ] - [ -0.0000189900000000, 0.0001022600000000, 0.0004969600000000 ] - [ 0.0013546300000000, 0.0020078500000000, -0.0010246600000000 ] - [ -0.0000245600000000, -0.0000695000000000, 0.0002291400000000 ] - [ -0.0000433200000000, -0.0001736300000000, -0.0002300900000000 ] - [ 0.0000039400000000, 0.0008173500000000, 0.0006681900000000 ] - [ 0.0002151000000000, -0.0006420300000000, 0.0005888000000000 ] - [ 0.0000521400000000, -0.0000798500000000, 0.0004676100000000 ] - [ -0.0000039500000000, 0.0000043400000000, -0.0001666500000000 ] - [ 0.0000046800000000, -0.0000328500000000, -0.0001992100000000 ] - [ -0.0000046400000000, 0.0000253000000000, 0.0001175300000000 ] - [ -0.0000071500000000, 0.0003584500000000, -0.0001433500000000 ] - [ 0.0001961100000000, 0.0000684000000000, 0.0002621200000000 ] - [ 0.0002535000000000, 0.0000407300000000, 0.0000858300000000 ] - [ -0.0000019300000000, 0.0000287400000000, 0.0004784500000000 ] - [ -0.0422440000000000, -0.2264195000000000, 0.0626386400000000 ] - [ -0.0013211000000000, 0.0000429300000000, -0.0006296700000000 ] - [ 0.0016800800000000, 0.0008979300000000, 0.0012415700000000 ] - [ 0.0012167200000000, 0.0011123100000000, -0.0004508700000000 ] - [ -0.0000505300000000, 0.0001140800000000, -0.0005677200000000 ] - [ -0.0002516200000000, 0.0004027600000000, -0.0006285900000000 ] - [ -0.0002906600000000, 0.0002507300000000, 0.0001114200000000 ] - [ 0.0005637400000000, 0.0001115400000000, 0.0004117900000000 ] - [ -0.0007189600000000, -0.0001894800000000, -0.0004263500000000 ] - [ -0.0000192200000000, 0.0000199300000000, -0.0001806700000000 ] - [ -0.0000422600000000, -0.0000969100000000, -0.0002310800000000 ] - [ 0.0001538600000000, -0.0190427300000000, -0.0001135000000000 ] - [ 0.0003983600000000, 0.0008522800000000, -0.0005088200000000 ] - [ -0.0002537200000000, 0.0002444400000000, 0.0001082900000000 ] - [ -0.0003845600000000, 0.0013724900000000, -0.0011731200000000 ] - [ 0.0002793400000000, 0.0001113800000000, 0.0001303000000000 ] - [ -0.0007274400000000, 0.0013321000000000, 0.0002811800000000 ] - [ -0.0010908600000000, -0.0000488900000000, -0.0017523300000000 ] - [ -0.0013103400000000, -0.0008983800000000, 0.0008394500000000 ] - [ 0.0006830500000000, -0.0000041700000000, 0.0015347200000000 ] - [ 0.0001445700000000, -0.0002640700000000, -0.0002157200000000 ] - [ -0.0000313400000000, 0.0000625400000000, -0.0001734500000000 ] - [ 0.0001792100000000, 0.0001979800000000, 0.0001612800000000 ] - [ 0.0000225800000000, 0.0002644600000000, 0.0000989100000000 ] - [ 0.0002105600000000, -0.0009847900000000, 0.0010178900000000 ] - [ -0.0001943300000000, 0.0000209800000000, -0.0001779400000000 ] - [ 0.0000861600000000, 0.0003227700000000, 0.0001533000000000 ] - [ -0.0009664000000000, 0.0010067600000000, -0.0012764200000000 ] - [ 0.0164117700000000, 0.0460403800000000, -0.0073598500000000 ] - [ 0.0019000600000000, 0.0010953700000000, 0.0027121000000000 ] - [ 0.0011467400000000, 0.0008555700000000, 0.0000958600000000 ] - [ -0.0005911000000000, -0.0003453200000000, -0.0001982900000000 ] - [ -0.0001323000000000, -0.0002891200000000, 0.0001439600000000 ] - [ 0.0000912200000000, 0.0000252000000000, -0.0003475500000000 ] - [ 0.0000217900000000, -0.0014257400000000, 0.0002950600000000 ] - [ -0.0001030200000000, -0.0003918800000000, -0.0004776400000000 ] - [ 0.0006220200000000, 0.0001307200000000, -0.0001562400000000 ] - [ -0.0001423800000000, 0.0001933300000000, 0.0001946300000000 ] - [ -0.0002519400000000, 0.0001343500000000, 0.0001109700000000 ] - [ 0.0007235900000000, -0.0006049800000000, -0.0003175000000000 ] - [ 0.0007448000000000, 0.0000206100000000, -0.0000357500000000 ] - [ -0.0002056800000000, -0.0001491400000000, 0.0002410100000000 ] - [ -0.0004095400000000, 0.0006628500000000, 0.0004306900000000 ] - [ -0.0001880400000000, -0.0003280200000000, 0.0003408800000000 ] - [ 0.0000065400000000, -0.0001480700000000, 0.0000905200000000 ] - [ 0.0006568000000000, 0.0001690900000000, 0.0003340800000000 ] - [ 0.0000420900000000, 0.0002459100000000, 0.0001053100000000 ] - [ -0.0036649700000000, 0.0020506800000000, -0.0034989700000000 ] - [ 0.0011243100000000, -0.0007309700000000, 0.0005640900000000 ] - [ 0.0000819200000000, -0.0002721200000000, -0.0002338000000000 ] - [ 0.0134300000000000, -0.0042791900000000, -0.0083027900000000 ] - [ -0.0000913700000000, 0.0002401200000000, -0.0003143100000000 ] - [ -0.0003150800000000, -0.0002986900000000, 0.0004383800000000 ] - [ 0.0003199500000000, 0.0006770400000000, 0.0000965600000000 ] - [ 0.0001833800000000, -0.0000681500000000, 0.0001482600000000 ] - [ -0.0000149700000000, -0.0002978400000000, 0.0001978100000000 ] - [ -0.0000046600000000, 0.0017724500000000, -0.0000874400000000 ] - [ 0.0000337000000000, -0.0005809300000000, 0.0000033000000000 ] - [ -0.0000519500000000, -0.0000506400000000, -0.0004513500000000 ] - [ 0.0000674200000000, 0.0000241700000000, -0.0002585100000000 ] - [ 0.0001017100000000, 0.0001957900000000, -0.0003093400000000 ] - [ -0.0000721100000000, 0.0000748600000000, 0.0007714300000000 ] - [ 0.0006263500000000, -0.0010839900000000, -0.0005389000000000 ] - [ 0.0003039300000000, 0.0002624300000000, -0.0004739300000000 ] - [ -0.0006652900000000, 0.0010793200000000, 0.0000597100000000 ] - [ 0.0002507800000000, 0.0010905900000000, -0.0003443900000000 ] - [ -0.0007880100000000, 0.0000389700000000, -0.0005541300000000 ] - [ -0.0016527200000000, 0.0012647100000000, -0.0001522700000000 ] - [ 0.0002921400000000, -0.0007229200000000, -0.0005217200000000 ] - [ 0.0000421600000000, -0.0000631000000000, 0.0001833700000000 ] - [ 0.0002872000000000, -0.0001537300000000, 0.0001902100000000 ] - [ 0.0000275800000000, -0.0004130800000000, -0.0000474800000000 ] - [ 0.0000199900000000, -0.0002340800000000, 0.0001510800000000 ] - [ -0.0000438600000000, 0.0006760400000000, -0.0000032100000000 ] - [ -0.0002464500000000, -0.0002052800000000, -0.0001210800000000 ] - [ 0.0000287000000000, 0.0003013700000000, 0.0002206500000000 ] - [ 0.0000819500000000, 0.0000605900000000, 0.0001447700000000 ] - [ -0.0002639900000000, -0.0001234400000000, 0.0000654900000000 ] - [ -0.0000359500000000, 0.0000349900000000, -0.0003448800000000 ] - [ -0.0000004100000000, -0.0002230700000000, 0.0002451600000000 ] - [ 0.0005827300000000, 0.0000972000000000, -0.0007736200000000 ] - [ -0.0000843500000000, -0.0001324100000000, 0.0001101700000000 ] - [ -0.0013804000000000, -0.0007718500000000, -0.0003774600000000 ] - [ 0.0001019700000000, 0.0003328600000000, -0.0000340200000000 ] - [ 0.0000740000000000, -0.0000270200000000, -0.0001724900000000 ] - [ -0.0027235300000000, 0.0013746500000000, 0.0015594000000000 ] - [ -0.0000677700000000, 0.0000563900000000, 0.0000545900000000 ] - [ -0.0001612200000000, 0.0002246300000000, 0.0006205500000000 ] - [ -0.0001124700000000, -0.0002260700000000, -0.0000514600000000 ] - [ 0.0000521300000000, -0.0002264400000000, -0.0001620000000000 ] - [ -0.0002890300000000, 0.0004354100000000, 0.0004619800000000 ] - [ -0.0000050000000000, -0.0000234100000000, -0.0000416000000000 ] - [ -0.0017637800000000, 0.0022449200000000, 0.0005631300000000 ] - [ -0.0000427900000000, -0.0004433000000000, -0.0000476500000000 ] - [ 0.0036447100000000, 0.0042441000000000, -0.0020529400000000 ] - [ 0.0001887100000000, 0.0000843200000000, -0.0000057900000000 ] - [ 0.0012287700000000, 0.0009732000000000, -0.0001934600000000 ] - [ -0.0001028300000000, 0.0000504300000000, 0.0000050200000000 ]- atom: 92 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000489000000000, 0.0001164500000000, 0.0001046300000000 ] - [ -0.0000327000000000, 0.0001534400000000, 0.0000893100000000 ] - [ -0.0000569500000000, 0.0000665700000000, 0.0000670900000000 ] - [ -0.0000135000000000, -0.0000845600000000, 0.0000831600000000 ] - [ -0.0005416900000000, 0.0003495700000000, -0.0003138500000000 ] - [ -0.0037195700000000, 0.0007489800000000, -0.0001913200000000 ] - [ 0.0023331400000000, -0.0033086700000000, -0.0002813000000000 ] - [ -0.0005718300000000, 0.0005826300000000, 0.0003601200000000 ] - [ -0.0000340000000000, -0.0001925900000000, 0.0001369900000000 ] - [ 0.0008194000000000, 0.0002510000000000, 0.0002208300000000 ] - [ 0.0000111600000000, 0.0001294000000000, 0.0001008700000000 ] - [ 0.0010290600000000, 0.0007308700000000, -0.0013130800000000 ] - [ -0.0003726900000000, 0.0005832600000000, 0.0000429400000000 ] - [ -0.0001491500000000, -0.0001383900000000, -0.0000207900000000 ] - [ -0.0002347400000000, 0.0001268000000000, 0.0002798600000000 ] - [ -0.0000514000000000, -0.0000901100000000, 0.0001277200000000 ] - [ 0.0000896200000000, 0.0000504600000000, 0.0001215400000000 ] - [ 0.0001473600000000, 0.0000774400000000, 0.0000682500000000 ] - [ 0.0000563900000000, 0.0000408700000000, 0.0001131700000000 ] - [ -0.0005680400000000, 0.0009472800000000, 0.0031465900000000 ] - [ -0.0001009900000000, -0.0000605800000000, 0.0001139500000000 ] - [ 0.0000098500000000, 0.0000403700000000, 0.0001037600000000 ] - [ 0.0000406900000000, -0.0002396000000000, 0.0001565500000000 ] - [ 0.0000920000000000, 0.0000390900000000, 0.0000849300000000 ] - [ 0.0001302900000000, 0.0000620700000000, 0.0005250900000000 ] - [ 0.0014190900000000, -0.0020481500000000, -0.0012481700000000 ] - [ 0.0002830100000000, 0.0011937000000000, -0.0008588900000000 ] - [ 0.0000881600000000, 0.0002137100000000, 0.0003436000000000 ] - [ 0.0001445000000000, 0.0001388300000000, 0.0001444300000000 ] - [ -0.0001398700000000, 0.0002919200000000, 0.0001871700000000 ] - [ 0.0012665500000000, 0.0038361700000000, -0.0002585500000000 ] - [ 0.0005714600000000, 0.0004221400000000, -0.0001775100000000 ] - [ -0.0000978700000000, -0.0000732200000000, 0.0005377400000000 ] - [ 0.0000439300000000, -0.0000786300000000, 0.0001606800000000 ] - [ -0.0008091400000000, -0.0009994500000000, -0.0014574500000000 ] - [ -0.0001008900000000, -0.0001161400000000, 0.0000445100000000 ] - [ 0.0037378000000000, -0.0014059200000000, 0.0005312600000000 ] - [ 0.0003436300000000, 0.0007791500000000, -0.0002477900000000 ] - [ -0.0017537000000000, -0.0014865500000000, 0.0004105800000000 ] - [ -0.0000481300000000, -0.0002709700000000, 0.0000551100000000 ] - [ 0.0010255500000000, 0.0000247000000000, -0.0006631300000000 ] - [ 0.0001204500000000, -0.0001374100000000, 0.0000649100000000 ] - [ -0.0000509300000000, -0.0000396400000000, -0.0001359800000000 ] - [ -0.0009980500000000, 0.0014954800000000, 0.0000681500000000 ] - [ 0.0001583700000000, 0.0000684000000000, -0.0000413800000000 ] - [ 0.0001162000000000, -0.0001703100000000, 0.0000901100000000 ] - [ -0.0005821100000000, -0.0000560300000000, -0.0002830600000000 ] - [ -0.0001732800000000, -0.0000466500000000, 0.0002876500000000 ] - [ -0.0003260300000000, 0.0004361400000000, -0.0000878100000000 ] - [ -0.0004708200000000, 0.0006661100000000, 0.0001592400000000 ] - [ 0.0000756900000000, 0.0000902900000000, 0.0000963900000000 ] - [ -0.0001610000000000, 0.0001220900000000, 0.0001479400000000 ] - [ -0.0001654700000000, 0.0000240600000000, 0.0000636100000000 ] - [ -0.0008113500000000, -0.0016356100000000, 0.0020434500000000 ] - [ -0.0000651200000000, -0.0000321800000000, 0.0000862300000000 ] - [ 0.0002912400000000, -0.0000305800000000, -0.0005136000000000 ] - [ 0.0008106400000000, 0.0008466200000000, 0.0002166100000000 ] - [ -0.0001625100000000, -0.0000481500000000, 0.0000722800000000 ] - [ -0.0002166300000000, -0.0003773200000000, 0.0000282800000000 ] - [ 0.0001066300000000, -0.0001049100000000, 0.0001854100000000 ] - [ 0.0001179800000000, -0.0011941900000000, -0.0003090400000000 ] - [ -0.0000350600000000, -0.0005479100000000, -0.0001892900000000 ] - [ 0.0002722400000000, 0.0001628100000000, -0.0002418500000000 ] - [ 0.0000591300000000, -0.0001099600000000, 0.0002453400000000 ] - [ -0.0000455700000000, -0.0000266300000000, 0.0000004300000000 ] - [ -0.0200625700000000, -0.1935212100000000, 0.0477274300000000 ] - [ -0.0000405300000000, 0.0001384700000000, -0.0005825600000000 ] - [ -0.0056316300000000, 0.0014635300000000, -0.0025564600000000 ] - [ 0.0000511800000000, -0.0006403600000000, -0.0004029400000000 ] - [ -0.0001015700000000, 0.0003535600000000, 0.0006108300000000 ] - [ 0.0001010100000000, 0.0026722900000000, -0.0002747100000000 ] - [ 0.0004345100000000, -0.0007974900000000, -0.0004286100000000 ] - [ -0.0018366800000000, 0.0024297500000000, -0.0017308600000000 ] - [ 0.0026226600000000, 0.0009678800000000, 0.0009003600000000 ] - [ 0.0008047600000000, 0.0008445600000000, 0.0003181300000000 ] - [ 0.0041635300000000, 0.0000920400000000, 0.0021089200000000 ] - [ -0.0001339300000000, 0.0001123500000000, 0.0000330300000000 ] - [ 0.0000752000000000, -0.0000033700000000, 0.0001082800000000 ] - [ -0.0010703200000000, -0.0025092500000000, 0.0009135800000000 ] - [ 0.0001576200000000, 0.0000661300000000, -0.0000007500000000 ] - [ 0.0000595500000000, 0.0001653400000000, -0.0003456400000000 ] - [ -0.0000192700000000, -0.0008012700000000, -0.0012328700000000 ] - [ -0.0002159900000000, 0.0006392200000000, 0.0000946300000000 ] - [ -0.0001209300000000, -0.0000380300000000, -0.0002355100000000 ] - [ 0.0000021300000000, -0.0000082900000000, -0.0000760500000000 ] - [ -0.0000073200000000, 0.0000294800000000, -0.0000440800000000 ] - [ 0.0000067900000000, -0.0000212900000000, 0.0002116000000000 ] - [ 0.0001243300000000, -0.0005553800000000, 0.0004106200000000 ] - [ 0.0002322900000000, 0.0001039900000000, 0.0003107300000000 ] - [ 0.0003779600000000, -0.0000446500000000, 0.0003155500000000 ] - [ 0.0000008600000000, -0.0000299500000000, 0.0005374200000000 ] - [ 0.0462217600000000, 0.2306779800000000, -0.0653220000000000 ] - [ 0.0014681300000000, 0.0002180500000000, 0.0005197500000000 ] - [ -0.0019944700000000, -0.0008908300000000, -0.0013553200000000 ] - [ -0.0009562000000000, -0.0009594600000000, -0.0000612700000000 ] - [ 0.0000490100000000, -0.0001159500000000, -0.0001981500000000 ] - [ 0.0003368200000000, -0.0004052800000000, 0.0010695100000000 ] - [ -0.0002125000000000, 0.0001438000000000, 0.0002400200000000 ] - [ 0.0005472700000000, -0.0001055000000000, 0.0003693300000000 ] - [ -0.0009410700000000, 0.0001346600000000, -0.0005134000000000 ] - [ 0.0002159400000000, -0.0002942800000000, -0.0004687200000000 ] - [ -0.0000516900000000, -0.0000658300000000, 0.0000199300000000 ] - [ -0.0003168100000000, 0.0192981000000000, -0.0006025600000000 ] - [ 0.0004706600000000, 0.0005553400000000, -0.0004358000000000 ] - [ 0.0000240900000000, -0.0002411600000000, 0.0001591200000000 ] - [ 0.0006609100000000, -0.0009201900000000, 0.0009403700000000 ] - [ 0.0002872200000000, 0.0001278900000000, 0.0002207300000000 ] - [ 0.0006095600000000, -0.0011191400000000, -0.0002767700000000 ] - [ 0.0009533500000000, -0.0001818800000000, 0.0013838400000000 ] - [ 0.0013084700000000, 0.0012058300000000, -0.0013509800000000 ] - [ -0.0007234600000000, 0.0000735600000000, -0.0010904700000000 ] - [ 0.0000824500000000, -0.0001218500000000, -0.0000954200000000 ] - [ -0.0000639500000000, 0.0000873300000000, -0.0000356300000000 ] - [ -0.0001779700000000, -0.0001973800000000, -0.0001983500000000 ] - [ -0.0000980600000000, 0.0003453400000000, 0.0002516500000000 ] - [ -0.0002138700000000, 0.0009810900000000, 0.0006218200000000 ] - [ -0.0002526800000000, -0.0000167800000000, -0.0001329400000000 ] - [ 0.0000292900000000, -0.0001220200000000, 0.0001146700000000 ] - [ 0.0007477600000000, -0.0010116300000000, 0.0009581900000000 ] - [ -0.0165594900000000, -0.0477164500000000, 0.0067581700000000 ] - [ -0.0024085500000000, -0.0010769900000000, -0.0029251800000000 ] - [ -0.0008917000000000, -0.0003931200000000, -0.0003300300000000 ] - [ 0.0003375300000000, 0.0005086500000000, -0.0003138000000000 ] - [ -0.0001851700000000, -0.0002614200000000, 0.0002590700000000 ] - [ 0.0000380600000000, -0.0000189400000000, -0.0001594400000000 ] - [ 0.0001314100000000, 0.0011686900000000, -0.0003975100000000 ] - [ 0.0000225600000000, 0.0002414700000000, 0.0007746500000000 ] - [ -0.0009419100000000, -0.0001681000000000, -0.0004889400000000 ] - [ -0.0001779600000000, 0.0003509100000000, 0.0002071700000000 ] - [ -0.0001158400000000, 0.0001470700000000, 0.0004623900000000 ] - [ -0.0004571100000000, 0.0001169600000000, 0.0000707600000000 ] - [ -0.0004822600000000, -0.0001470100000000, -0.0004709400000000 ] - [ -0.0001432600000000, -0.0001271000000000, 0.0003300500000000 ] - [ -0.0001416900000000, 0.0003022000000000, 0.0003504000000000 ] - [ 0.0000588500000000, 0.0005677100000000, -0.0006933900000000 ] - [ -0.0000070200000000, 0.0001453100000000, 0.0009209000000000 ] - [ -0.0003900300000000, -0.0001585900000000, -0.0006903200000000 ] - [ -0.0001297100000000, -0.0000892000000000, 0.0001955200000000 ] - [ 0.0033910800000000, -0.0021871800000000, 0.0029597700000000 ] - [ -0.0010178200000000, 0.0005262000000000, -0.0008892000000000 ] - [ 0.0000975000000000, 0.0002725200000000, 0.0005291000000000 ] - [ -0.0134980200000000, 0.0044795100000000, 0.0082778300000000 ] - [ 0.0000935400000000, -0.0002348200000000, -0.0005611800000000 ] - [ -0.0002372400000000, -0.0006569900000000, 0.0003425000000000 ] - [ -0.0000760600000000, -0.0006717800000000, -0.0000923000000000 ] - [ 0.0002441000000000, -0.0001094600000000, 0.0004250800000000 ] - [ -0.0000619200000000, -0.0003249500000000, 0.0001533900000000 ] - [ -0.0001078700000000, -0.0019613100000000, 0.0000886200000000 ] - [ 0.0000722600000000, 0.0007517300000000, -0.0003291400000000 ] - [ -0.0000075300000000, -0.0000523900000000, -0.0000568700000000 ] - [ 0.0001098200000000, -0.0000311400000000, 0.0000494500000000 ] - [ 0.0001225900000000, 0.0001926200000000, -0.0000037000000000 ] - [ 0.0000690900000000, -0.0000805100000000, 0.0008536400000000 ] - [ 0.0002386800000000, -0.0003294600000000, -0.0004016500000000 ] - [ 0.0004798600000000, 0.0011916900000000, -0.0004674200000000 ] - [ 0.0009355900000000, -0.0015251800000000, -0.0002919100000000 ] - [ -0.0001195200000000, -0.0007962400000000, -0.0003022700000000 ] - [ -0.0008720800000000, 0.0000034100000000, -0.0003901900000000 ] - [ 0.0016413600000000, -0.0015626100000000, -0.0003602300000000 ] - [ 0.0004920300000000, -0.0007448600000000, -0.0004220400000000 ] - [ -0.0001303200000000, -0.0000803100000000, 0.0001209900000000 ] - [ 0.0003046300000000, -0.0000850700000000, 0.0001610800000000 ] - [ -0.0001104700000000, 0.0005447700000000, 0.0003513000000000 ] - [ -0.0000642300000000, 0.0001515300000000, 0.0002825100000000 ] - [ 0.0000432600000000, -0.0006769400000000, -0.0000795200000000 ] - [ -0.0002962700000000, 0.0001822500000000, -0.0001172500000000 ] - [ -0.0000939300000000, 0.0001555200000000, 0.0003524700000000 ] - [ 0.0000763100000000, -0.0000655400000000, 0.0001621100000000 ] - [ -0.0002372900000000, -0.0002542400000000, 0.0002854000000000 ] - [ -0.0000233700000000, 0.0000797300000000, -0.0001618500000000 ] - [ -0.0000648200000000, -0.0002159000000000, 0.0003262800000000 ] - [ -0.0005392500000000, -0.0001831500000000, 0.0007296600000000 ] - [ -0.0000299700000000, -0.0000662700000000, 0.0000552200000000 ] - [ 0.0013739900000000, 0.0007537400000000, 0.0005408300000000 ] - [ -0.0005644500000000, -0.0003232200000000, 0.0003639800000000 ] - [ -0.0000491400000000, -0.0000172900000000, 0.0002446100000000 ] - [ 0.0026950500000000, -0.0013645600000000, -0.0013834300000000 ] - [ 0.0000160400000000, -0.0000563100000000, 0.0000158100000000 ] - [ 0.0003958400000000, 0.0001827000000000, -0.0002866300000000 ] - [ 0.0001546200000000, 0.0002961100000000, 0.0000068800000000 ] - [ -0.0000217200000000, 0.0002493700000000, -0.0005466000000000 ] - [ 0.0001949100000000, -0.0004403100000000, -0.0005062100000000 ] - [ 0.0000287900000000, 0.0000644400000000, 0.0001119200000000 ] - [ 0.0017629800000000, -0.0022440900000000, -0.0012862700000000 ] - [ 0.0002781800000000, 0.0000444900000000, 0.0003773300000000 ] - [ -0.0036112900000000, -0.0042143600000000, 0.0013172500000000 ] - [ 0.0000466500000000, -0.0000808500000000, 0.0001685200000000 ] - [ -0.0012507800000000, -0.0009770800000000, 0.0003597600000000 ] - [ -0.0000130700000000, 0.0001542700000000, 0.0001571700000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001149500000000, 0.0000660900000000, -0.0003160500000000 ] - [ -0.0000331900000000, 0.0001309700000000, -0.0001986400000000 ] - [ -0.0000429700000000, 0.0000563200000000, -0.0001983500000000 ] - [ -0.0000028100000000, -0.0001284800000000, -0.0002046900000000 ] - [ -0.0002972900000000, 0.0003483400000000, 0.0001005700000000 ] - [ -0.0002302500000000, -0.0003548400000000, 0.0012160700000000 ] - [ -0.0004885200000000, 0.0015280300000000, 0.0031052200000000 ] - [ -0.0000506400000000, -0.0005269700000000, 0.0001354200000000 ] - [ -0.0003811700000000, 0.0000072500000000, -0.0003643000000000 ] - [ 0.0003125300000000, 0.0002698700000000, 0.0007460700000000 ] - [ 0.0000318500000000, 0.0000513400000000, -0.0003708500000000 ] - [ 0.0015316800000000, 0.0025144400000000, -0.0006572900000000 ] - [ -0.0002938700000000, -0.0001312200000000, -0.0000101300000000 ] - [ -0.0002668900000000, 0.0000965000000000, -0.0001044400000000 ] - [ 0.0004555000000000, -0.0001427400000000, 0.0001248700000000 ] - [ -0.0000379700000000, -0.0000900600000000, -0.0001632800000000 ] - [ 0.0001054200000000, 0.0000014900000000, -0.0001745900000000 ] - [ 0.0001447200000000, 0.0001071600000000, -0.0002436500000000 ] - [ -0.0001699500000000, -0.0000382700000000, -0.0001068500000000 ] - [ -0.0001772600000000, -0.0011985200000000, 0.0000037800000000 ] - [ 0.0003382100000000, -0.0000225400000000, 0.0007618900000000 ] - [ 0.0002551200000000, 0.0000318500000000, -0.0002302900000000 ] - [ 0.0000170100000000, -0.0002004500000000, -0.0001349800000000 ] - [ 0.0000813600000000, 0.0000124400000000, -0.0001969100000000 ] - [ 0.0000637000000000, -0.0002128100000000, 0.0001257800000000 ] - [ -0.0004283200000000, -0.0005090800000000, 0.0054481400000000 ] - [ 0.0000558300000000, 0.0009697200000000, -0.0002040900000000 ] - [ -0.0001005300000000, -0.0000458000000000, -0.0000381500000000 ] - [ 0.0001593200000000, 0.0001158700000000, -0.0001301600000000 ] - [ 0.0000323900000000, 0.0000659600000000, 0.0000099600000000 ] - [ 0.0001751600000000, 0.0003717900000000, 0.0007895700000000 ] - [ 0.0005056600000000, 0.0000503500000000, 0.0000934900000000 ] - [ 0.0001219600000000, -0.0002703300000000, -0.0001829600000000 ] - [ 0.0000434900000000, -0.0000591300000000, 0.0000116300000000 ] - [ -0.0029321800000000, 0.0005342100000000, -0.0013443100000000 ] - [ -0.0000855400000000, -0.0000010800000000, -0.0004178600000000 ] - [ 0.0015805900000000, 0.0006676200000000, 0.0031750500000000 ] - [ -0.0001619400000000, 0.0004967300000000, 0.0001089200000000 ] - [ -0.0002234100000000, -0.0005150200000000, 0.0012338800000000 ] - [ 0.0002424100000000, -0.0002720500000000, -0.0002873900000000 ] - [ 0.0009180700000000, 0.0005396400000000, -0.0002021800000000 ] - [ 0.0000234100000000, -0.0001145200000000, -0.0003706600000000 ] - [ 0.0000739700000000, -0.0002511800000000, 0.0000588900000000 ] - [ -0.0002261900000000, 0.0002709300000000, 0.0007731000000000 ] - [ 0.0001039000000000, 0.0000768100000000, -0.0002347300000000 ] - [ 0.0000015400000000, -0.0001211400000000, -0.0003164300000000 ] - [ -0.0001975300000000, 0.0001958800000000, -0.0000165400000000 ] - [ 0.0000167400000000, -0.0003228300000000, -0.0002736700000000 ] - [ -0.0001870700000000, 0.0002023600000000, -0.0002361200000000 ] - [ 0.0001778300000000, -0.0000023600000000, 0.0000496800000000 ] - [ 0.0002401000000000, 0.0001748100000000, -0.0001349500000000 ] - [ -0.0001881300000000, 0.0000916400000000, -0.0001297000000000 ] - [ -0.0001414600000000, 0.0000487000000000, -0.0002173700000000 ] - [ 0.0019063300000000, -0.0023061600000000, -0.0014776300000000 ] - [ -0.0000223700000000, -0.0000749800000000, -0.0002067400000000 ] - [ 0.0000942000000000, 0.0002645900000000, -0.0005921400000000 ] - [ 0.0001742500000000, 0.0001841800000000, 0.0008617400000000 ] - [ -0.0001229000000000, 0.0000515700000000, -0.0003168100000000 ] - [ -0.0003347300000000, -0.0001290900000000, -0.0000490500000000 ] - [ 0.0002176700000000, 0.0002292100000000, -0.0003341500000000 ] - [ -0.0010165100000000, -0.0009159600000000, -0.0000512700000000 ] - [ -0.0004632600000000, -0.0002808700000000, 0.0001477100000000 ] - [ 0.0001019200000000, 0.0003705900000000, -0.0003193300000000 ] - [ -0.0000496600000000, -0.0001926700000000, -0.0008314500000000 ] - [ 0.0001063900000000, 0.0000173000000000, -0.0010315300000000 ] - [ -0.0417068500000000, -0.0784117600000000, 0.1175298700000000 ] - [ 0.0001513800000000, 0.0001363700000000, -0.0008490900000000 ] - [ -0.0041206000000000, 0.0010464600000000, -0.0012086100000000 ] - [ -0.0001481000000000, -0.0002648600000000, -0.0047838100000000 ] - [ 0.0000412200000000, -0.0000556700000000, 0.0002534100000000 ] - [ 0.0001731200000000, 0.0003156400000000, 0.0012702100000000 ] - [ 0.0017154500000000, 0.0000947800000000, -0.0004172100000000 ] - [ -0.0012815000000000, 0.0012552100000000, -0.0004114400000000 ] - [ -0.0000440500000000, 0.0003336100000000, 0.0003824300000000 ] - [ 0.0004178600000000, 0.0001616500000000, 0.0017960700000000 ] - [ -0.0013865100000000, -0.0025539500000000, -0.0009809100000000 ] - [ -0.0001705100000000, 0.0001507200000000, -0.0007598100000000 ] - [ 0.0002183100000000, 0.0000387900000000, -0.0007556900000000 ] - [ 0.0027679100000000, -0.0034272800000000, -0.0012713200000000 ] - [ 0.0000470500000000, -0.0000541900000000, -0.0009055700000000 ] - [ -0.0000747300000000, 0.0000007600000000, -0.0009560500000000 ] - [ -0.0001817100000000, -0.0003117400000000, -0.0033617800000000 ] - [ 0.0000332300000000, 0.0002875200000000, -0.0004594600000000 ] - [ -0.0001553800000000, 0.0000369900000000, -0.0010358300000000 ] - [ 0.0000005600000000, -0.0000090300000000, 0.0001602100000000 ] - [ 0.0000040600000000, 0.0000085600000000, 0.0003414000000000 ] - [ -0.0000046900000000, 0.0000016100000000, 0.0004456900000000 ] - [ 0.0001068000000000, -0.0004276800000000, 0.0004373600000000 ] - [ 0.0001015000000000, -0.0000029600000000, 0.0007179000000000 ] - [ 0.0005027200000000, -0.0000836600000000, 0.0005884400000000 ] - [ 0.0000134600000000, -0.0000024700000000, 0.0009888700000000 ] - [ 0.0572719000000000, 0.1075452700000000, -0.1227709300000000 ] - [ 0.0012024400000000, 0.0001538600000000, -0.0001225000000000 ] - [ -0.0003317800000000, -0.0000363600000000, -0.0004362000000000 ] - [ -0.0000812100000000, -0.0002551400000000, -0.0003976300000000 ] - [ -0.0000006200000000, -0.0000568100000000, 0.0002081400000000 ] - [ 0.0002375000000000, -0.0002472900000000, 0.0003718700000000 ] - [ -0.0002596600000000, 0.0002296600000000, 0.0004861900000000 ] - [ 0.0005100300000000, 0.0000092900000000, 0.0005317700000000 ] - [ 0.0000861300000000, 0.0000447200000000, 0.0007446400000000 ] - [ 0.0000808800000000, -0.0002918000000000, -0.0009409900000000 ] - [ -0.0000719300000000, -0.0000784500000000, 0.0006077700000000 ] - [ 0.0061819300000000, 0.0046279700000000, -0.0171821200000000 ] - [ 0.0003970400000000, 0.0005878700000000, -0.0002700600000000 ] - [ -0.0002435300000000, -0.0000420200000000, 0.0003773500000000 ] - [ 0.0006367100000000, -0.0004902000000000, -0.0002334500000000 ] - [ 0.0003148800000000, 0.0001151000000000, 0.0004853300000000 ] - [ 0.0000363600000000, -0.0001445100000000, -0.0006039300000000 ] - [ 0.0006632300000000, -0.0002080200000000, 0.0006338400000000 ] - [ -0.0004608700000000, 0.0010889800000000, -0.0003091400000000 ] - [ 0.0001972500000000, 0.0003911500000000, 0.0007502800000000 ] - [ -0.0000330000000000, -0.0000557500000000, 0.0003054800000000 ] - [ -0.0000446600000000, 0.0000902500000000, 0.0006559000000000 ] - [ -0.0000507500000000, -0.0000213200000000, -0.0011101000000000 ] - [ -0.0002093700000000, 0.0004220600000000, 0.0005644200000000 ] - [ 0.0005586200000000, 0.0010399000000000, 0.0044057000000000 ] - [ -0.0000802500000000, 0.0000488500000000, 0.0002198600000000 ] - [ 0.0000222800000000, 0.0000934600000000, 0.0003031000000000 ] - [ 0.0005503300000000, -0.0008504400000000, -0.0002086600000000 ] - [ 0.0003525600000000, 0.0077759600000000, -0.0171797100000000 ] - [ 0.0006223800000000, 0.0016801400000000, 0.0005622300000000 ] - [ 0.0007312900000000, 0.0012141000000000, -0.0006382800000000 ] - [ -0.0014717400000000, 0.0006843500000000, -0.0005622300000000 ] - [ -0.0003140400000000, -0.0003770300000000, 0.0005843300000000 ] - [ 0.0000571600000000, -0.0000003900000000, 0.0004473500000000 ] - [ -0.0029994900000000, 0.0012644000000000, 0.0014326100000000 ] - [ 0.0000016200000000, 0.0000023600000000, 0.0016025000000000 ] - [ -0.0007049900000000, -0.0001398300000000, -0.0010531100000000 ] - [ -0.0001776300000000, 0.0004595500000000, 0.0006113300000000 ] - [ 0.0000058800000000, 0.0000934300000000, 0.0007479000000000 ] - [ -0.0008776500000000, -0.0001575500000000, -0.0002168600000000 ] - [ 0.0001683100000000, -0.0002022300000000, -0.0006054500000000 ] - [ -0.0001345600000000, -0.0001385000000000, 0.0006593900000000 ] - [ -0.0002713100000000, 0.0004991800000000, 0.0005341800000000 ] - [ -0.0004962200000000, 0.0006558700000000, 0.0006048800000000 ] - [ 0.0000328000000000, 0.0000585800000000, 0.0020818800000000 ] - [ 0.0001225500000000, -0.0000147800000000, -0.0003584100000000 ] - [ 0.0000440100000000, -0.0000562200000000, 0.0003445600000000 ] - [ 0.0026485200000000, -0.0020869400000000, 0.0012839200000000 ] - [ 0.0009577800000000, 0.0013235900000000, 0.0003922500000000 ] - [ 0.0001613000000000, 0.0000320700000000, 0.0013152100000000 ] - [ -0.0209043900000000, -0.0394530500000000, 0.0249849800000000 ] - [ -0.0000220000000000, 0.0000382600000000, -0.0003813600000000 ] - [ -0.0002940000000000, -0.0004303900000000, 0.0005338800000000 ] - [ -0.0002108300000000, -0.0001277700000000, -0.0006099200000000 ] - [ 0.0002119600000000, -0.0000457400000000, 0.0006627800000000 ] - [ -0.0000707300000000, -0.0003528600000000, 0.0005155000000000 ] - [ 0.0000119900000000, -0.0001705900000000, -0.0006508600000000 ] - [ -0.0008497600000000, 0.0001052700000000, -0.0002259400000000 ] - [ -0.0000138700000000, -0.0000521800000000, 0.0005088900000000 ] - [ 0.0001114500000000, -0.0000197900000000, 0.0006099500000000 ] - [ 0.0000996200000000, 0.0000440900000000, 0.0002813600000000 ] - [ -0.0000575300000000, -0.0001009000000000, 0.0009624800000000 ] - [ 0.0000085900000000, 0.0001185700000000, 0.0007515500000000 ] - [ 0.0002719700000000, 0.0005223200000000, 0.0006189800000000 ] - [ 0.0005470900000000, -0.0008514600000000, -0.0004654700000000 ] - [ 0.0000491400000000, 0.0001198500000000, -0.0008619200000000 ] - [ -0.0009545900000000, -0.0000551600000000, -0.0002487300000000 ] - [ 0.0011957800000000, -0.0010632300000000, -0.0005980000000000 ] - [ 0.0003758200000000, -0.0007384300000000, -0.0002795000000000 ] - [ 0.0000827700000000, 0.0000282800000000, 0.0003492500000000 ] - [ 0.0004674800000000, -0.0000324200000000, 0.0005880200000000 ] - [ -0.0000552700000000, 0.0001413800000000, 0.0013154400000000 ] - [ -0.0003308700000000, -0.0000290200000000, 0.0003672900000000 ] - [ -0.0000596300000000, -0.0001416300000000, -0.0010453300000000 ] - [ -0.0010154000000000, 0.0000239100000000, -0.0004599500000000 ] - [ -0.0000925800000000, 0.0001455400000000, 0.0006293100000000 ] - [ -0.0000105000000000, 0.0000153700000000, 0.0003185100000000 ] - [ -0.0002540600000000, -0.0003790700000000, 0.0005598200000000 ] - [ -0.0000374900000000, 0.0000610000000000, 0.0005064200000000 ] - [ -0.0000719200000000, -0.0000784200000000, 0.0006592700000000 ] - [ -0.0004889500000000, -0.0008510900000000, 0.0006998400000000 ] - [ -0.0001414600000000, 0.0000158000000000, 0.0004335100000000 ] - [ 0.0006315900000000, 0.0000086100000000, -0.0010711000000000 ] - [ -0.0004726600000000, -0.0003805500000000, 0.0003446300000000 ] - [ -0.0000519400000000, -0.0001482200000000, 0.0005348700000000 ] - [ -0.0003523600000000, 0.0005189600000000, -0.0010573400000000 ] - [ -0.0000533000000000, 0.0000887500000000, 0.0003746300000000 ] - [ -0.0001537200000000, 0.0005631100000000, 0.0002949000000000 ] - [ 0.0001507800000000, 0.0001765600000000, -0.0000138500000000 ] - [ -0.0000778500000000, 0.0001279900000000, -0.0009049400000000 ] - [ 0.0000054600000000, 0.0001485500000000, -0.0000258900000000 ] - [ 0.0001044800000000, 0.0000516900000000, 0.0003749300000000 ] - [ 0.0001531100000000, 0.0000080400000000, -0.0009144800000000 ] - [ 0.0005549900000000, -0.0002611300000000, 0.0002833900000000 ] - [ -0.0015296000000000, -0.0030851600000000, -0.0013258600000000 ] - [ 0.0000553800000000, -0.0001224500000000, 0.0004408600000000 ] - [ -0.0002760500000000, -0.0005273300000000, -0.0006667900000000 ] - [ 0.0000847900000000, 0.0001009700000000, 0.0004314700000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000629900000000, 0.0003539000000000, 0.0007459900000000 ] - [ -0.0000785500000000, 0.0000931100000000, 0.0005364200000000 ] - [ -0.0000118000000000, 0.0000532500000000, 0.0004843800000000 ] - [ 0.0000205700000000, -0.0001443300000000, 0.0004512000000000 ] - [ 0.0000475600000000, 0.0000989600000000, -0.0005384500000000 ] - [ 0.0000302100000000, -0.0000287300000000, -0.0012238500000000 ] - [ 0.0009629300000000, -0.0015531800000000, -0.0031478800000000 ] - [ -0.0002082000000000, 0.0000757500000000, -0.0005694900000000 ] - [ 0.0002543700000000, 0.0002335700000000, 0.0004912100000000 ] - [ -0.0005668400000000, 0.0001004100000000, -0.0007521700000000 ] - [ -0.0000177400000000, 0.0002371500000000, 0.0006126200000000 ] - [ -0.0016685300000000, -0.0029488100000000, 0.0004240900000000 ] - [ 0.0000966900000000, -0.0002788600000000, -0.0005862500000000 ] - [ 0.0002962200000000, -0.0002515600000000, 0.0006110400000000 ] - [ -0.0000245500000000, 0.0000356300000000, -0.0003789900000000 ] - [ -0.0000792000000000, -0.0001123500000000, 0.0005042500000000 ] - [ 0.0001446100000000, 0.0000138700000000, 0.0005123900000000 ] - [ 0.0000966200000000, 0.0000487100000000, 0.0004848500000000 ] - [ 0.0001399900000000, 0.0003351800000000, 0.0002149000000000 ] - [ -0.0000117000000000, 0.0016398800000000, -0.0006199800000000 ] - [ 0.0001123000000000, 0.0000164600000000, -0.0007741400000000 ] - [ 0.0000143900000000, 0.0000892900000000, 0.0003407400000000 ] - [ 0.0000362300000000, -0.0002339900000000, 0.0005631600000000 ] - [ 0.0000409300000000, -0.0000050100000000, 0.0004829900000000 ] - [ 0.0002166300000000, 0.0002222900000000, 0.0004630900000000 ] - [ 0.0002897500000000, 0.0003098100000000, -0.0065470600000000 ] - [ -0.0001650300000000, -0.0007740300000000, -0.0001321800000000 ] - [ -0.0000499800000000, -0.0000061900000000, 0.0005443800000000 ] - [ 0.0001791200000000, 0.0001388300000000, 0.0005606500000000 ] - [ -0.0000158600000000, 0.0000908100000000, 0.0004928400000000 ] - [ 0.0005699300000000, -0.0004117600000000, -0.0007422700000000 ] - [ 0.0000049300000000, -0.0000450100000000, -0.0005298400000000 ] - [ 0.0000065000000000, 0.0003617400000000, 0.0006847800000000 ] - [ 0.0000862300000000, -0.0000477400000000, 0.0004901800000000 ] - [ 0.0033606600000000, -0.0004275600000000, 0.0010918700000000 ] - [ -0.0001602200000000, -0.0001209100000000, 0.0006661400000000 ] - [ -0.0019989900000000, -0.0000236100000000, -0.0031667300000000 ] - [ 0.0000329600000000, -0.0000682200000000, -0.0003627900000000 ] - [ -0.0001669900000000, -0.0001209600000000, -0.0011960200000000 ] - [ -0.0003701600000000, 0.0000477700000000, 0.0004202700000000 ] - [ -0.0004552400000000, -0.0004990700000000, -0.0003910200000000 ] - [ 0.0002081600000000, -0.0000668400000000, 0.0006141300000000 ] - [ -0.0001870200000000, 0.0000621400000000, -0.0004069100000000 ] - [ 0.0000057400000000, 0.0001196500000000, -0.0007849400000000 ] - [ -0.0001382900000000, -0.0003825900000000, 0.0003354300000000 ] - [ 0.0003391800000000, -0.0001289400000000, 0.0007446400000000 ] - [ -0.0000908900000000, 0.0001710800000000, -0.0005782300000000 ] - [ -0.0002638300000000, 0.0001448200000000, 0.0003741800000000 ] - [ -0.0000460700000000, -0.0000271700000000, 0.0003448700000000 ] - [ 0.0000542600000000, 0.0000102900000000, -0.0003898700000000 ] - [ -0.0003962000000000, -0.0001155400000000, 0.0006368600000000 ] - [ -0.0001993800000000, 0.0000789200000000, 0.0005574700000000 ] - [ -0.0001309200000000, 0.0000601500000000, 0.0004599400000000 ] - [ -0.0022083400000000, 0.0026193600000000, 0.0012253500000000 ] - [ -0.0000453600000000, -0.0000427200000000, 0.0004858800000000 ] - [ 0.0001760500000000, -0.0003818600000000, 0.0007043100000000 ] - [ -0.0003994600000000, -0.0005741700000000, -0.0008702200000000 ] - [ -0.0002794700000000, -0.0002215300000000, 0.0007438700000000 ] - [ 0.0001973900000000, -0.0001127600000000, 0.0006384700000000 ] - [ -0.0003533300000000, 0.0000157100000000, 0.0009295500000000 ] - [ 0.0014849200000000, 0.0008631500000000, -0.0005618200000000 ] - [ 0.0001527800000000, -0.0000573900000000, -0.0003946100000000 ] - [ 0.0001688500000000, -0.0003572500000000, 0.0004463900000000 ] - [ 0.0001016400000000, 0.0000990000000000, 0.0014376300000000 ] - [ -0.0001785700000000, 0.0000985000000000, 0.0012565000000000 ] - [ 0.0410708600000000, 0.0771884300000000, -0.1179003800000000 ] - [ -0.0001528300000000, -0.0001385200000000, -0.0001615500000000 ] - [ 0.0044410400000000, -0.0005624000000000, 0.0011104600000000 ] - [ 0.0001489100000000, 0.0002685300000000, 0.0038047500000000 ] - [ -0.0000405300000000, 0.0000559300000000, 0.0006679800000000 ] - [ -0.0001769100000000, -0.0003228200000000, -0.0019426600000000 ] - [ -0.0014803900000000, 0.0003214500000000, -0.0000400200000000 ] - [ 0.0008131000000000, -0.0012591800000000, -0.0000526200000000 ] - [ -0.0005311100000000, -0.0003516200000000, -0.0005001200000000 ] - [ -0.0004355400000000, -0.0001608600000000, -0.0016377600000000 ] - [ 0.0016173200000000, 0.0021454100000000, 0.0005075600000000 ] - [ 0.0000633000000000, -0.0001508700000000, 0.0013652400000000 ] - [ -0.0001598600000000, 0.0000605400000000, 0.0013674500000000 ] - [ -0.0025058000000000, 0.0029729600000000, 0.0011733100000000 ] - [ 0.0000878300000000, 0.0000522600000000, 0.0011276200000000 ] - [ 0.0000896600000000, -0.0000105500000000, 0.0003910200000000 ] - [ 0.0001650400000000, 0.0003181700000000, 0.0027872000000000 ] - [ -0.0000329700000000, -0.0002897700000000, 0.0011318100000000 ] - [ 0.0000876100000000, -0.0001578800000000, 0.0012624800000000 ] - [ -0.0000021600000000, 0.0000052900000000, -0.0004010300000000 ] - [ -0.0000065900000000, -0.0000117400000000, -0.0005831200000000 ] - [ 0.0000070300000000, 0.0000024200000000, -0.0001182900000000 ] - [ 0.0000116000000000, 0.0002291700000000, -0.0001719500000000 ] - [ 0.0003318300000000, 0.0001810300000000, -0.0001493400000000 ] - [ 0.0001349500000000, 0.0000789400000000, -0.0001835200000000 ] - [ -0.0000141100000000, 0.0000015500000000, 0.0000281800000000 ] - [ -0.0563216100000000, -0.1057865400000000, 0.1225495600000000 ] - [ -0.0010584300000000, 0.0001087300000000, 0.0000233900000000 ] - [ 0.0000387400000000, 0.0000513900000000, 0.0003440800000000 ] - [ 0.0003510800000000, 0.0004150800000000, -0.0001105300000000 ] - [ -0.0000009300000000, 0.0000547300000000, -0.0009785200000000 ] - [ -0.0001519300000000, 0.0002431600000000, 0.0000630800000000 ] - [ -0.0002448700000000, 0.0001668600000000, -0.0001326300000000 ] - [ 0.0006002800000000, -0.0000040600000000, 0.0002514500000000 ] - [ -0.0017585000000000, -0.0000989500000000, -0.0017015600000000 ] - [ 0.0001219100000000, 0.0000175100000000, 0.0002912600000000 ] - [ -0.0000219100000000, -0.0000837900000000, -0.0008218800000000 ] - [ -0.0064005900000000, -0.0044100200000000, 0.0164819000000000 ] - [ 0.0004733600000000, 0.0008221700000000, -0.0006774600000000 ] - [ 0.0000102800000000, 0.0000442400000000, -0.0001112400000000 ] - [ -0.0003602600000000, 0.0009409300000000, -0.0000125300000000 ] - [ 0.0002543000000000, 0.0001249200000000, -0.0001318200000000 ] - [ -0.0001581900000000, 0.0003557800000000, 0.0006100300000000 ] - [ -0.0008027600000000, -0.0000204700000000, -0.0010018500000000 ] - [ 0.0004578300000000, -0.0007984200000000, -0.0001941600000000 ] - [ -0.0002434600000000, -0.0003185800000000, -0.0003094200000000 ] - [ 0.0002644500000000, -0.0003356500000000, -0.0006217700000000 ] - [ -0.0000503600000000, 0.0000599900000000, -0.0008684300000000 ] - [ 0.0000547300000000, 0.0000247900000000, 0.0010768200000000 ] - [ 0.0001318200000000, 0.0001914600000000, -0.0002104100000000 ] - [ -0.0005695100000000, -0.0010588000000000, -0.0028077700000000 ] - [ -0.0003725500000000, -0.0000455700000000, -0.0005343000000000 ] - [ 0.0000954000000000, 0.0001093100000000, -0.0000369600000000 ] - [ -0.0007639600000000, 0.0008414500000000, -0.0001238200000000 ] - [ -0.0001361600000000, -0.0078770900000000, 0.0164840300000000 ] - [ -0.0011470000000000, -0.0016630900000000, -0.0007952200000000 ] - [ -0.0004796400000000, -0.0007486200000000, 0.0003988500000000 ] - [ 0.0012286600000000, -0.0005296400000000, 0.0000551400000000 ] - [ -0.0000065300000000, -0.0001777400000000, -0.0001776100000000 ] - [ 0.0000717300000000, 0.0000063400000000, -0.0009504500000000 ] - [ 0.0031874400000000, -0.0015349400000000, -0.0015494800000000 ] - [ -0.0000821300000000, -0.0001512500000000, -0.0012916200000000 ] - [ 0.0003872500000000, 0.0001069800000000, 0.0004089100000000 ] - [ -0.0001448400000000, 0.0000901900000000, -0.0002062800000000 ] - [ -0.0003808700000000, 0.0001894900000000, -0.0001783400000000 ] - [ 0.0011363800000000, -0.0003291800000000, -0.0000325600000000 ] - [ 0.0001014500000000, 0.0000720500000000, 0.0001054300000000 ] - [ -0.0002193000000000, -0.0001382200000000, -0.0000914500000000 ] - [ -0.0002795000000000, 0.0004647700000000, 0.0002488900000000 ] - [ 0.0003705500000000, -0.0004240200000000, -0.0009678700000000 ] - [ -0.0000329600000000, -0.0000592900000000, -0.0010608100000000 ] - [ 0.0001496600000000, 0.0000242900000000, 0.0000065500000000 ] - [ -0.0001322600000000, 0.0002135300000000, -0.0000432800000000 ] - [ -0.0029312600000000, 0.0019543300000000, -0.0018063600000000 ] - [ -0.0008545200000000, -0.0015102300000000, -0.0007149800000000 ] - [ 0.0000205900000000, -0.0000297000000000, -0.0010112000000000 ] - [ 0.0204603300000000, 0.0386141800000000, -0.0242049800000000 ] - [ 0.0000237000000000, -0.0000345400000000, -0.0005010300000000 ] - [ -0.0002585700000000, -0.0005262800000000, 0.0002488900000000 ] - [ 0.0004561600000000, 0.0001310700000000, 0.0006158400000000 ] - [ 0.0002184400000000, -0.0001359300000000, -0.0000919300000000 ] - [ -0.0000070200000000, -0.0002723600000000, -0.0001619100000000 ] - [ -0.0001303100000000, -0.0000309100000000, 0.0006559700000000 ] - [ 0.0009528900000000, 0.0000714400000000, -0.0001048100000000 ] - [ -0.0000455400000000, -0.0000501100000000, -0.0010138600000000 ] - [ 0.0000659600000000, 0.0000123100000000, -0.0008220400000000 ] - [ 0.0001272500000000, 0.0003507900000000, -0.0005987000000000 ] - [ 0.0000563200000000, 0.0000977400000000, 0.0006689500000000 ] - [ 0.0008628700000000, -0.0015441600000000, -0.0017091700000000 ] - [ 0.0005132200000000, 0.0009356500000000, -0.0015749200000000 ] - [ -0.0002744200000000, 0.0003999700000000, 0.0002249000000000 ] - [ 0.0000909400000000, 0.0001896600000000, 0.0002120100000000 ] - [ -0.0007036200000000, 0.0000987600000000, -0.0006989500000000 ] - [ -0.0012110900000000, 0.0007702000000000, 0.0000931800000000 ] - [ 0.0004098600000000, -0.0007285700000000, -0.0006675600000000 ] - [ -0.0001701200000000, -0.0001707300000000, -0.0000435100000000 ] - [ 0.0001280700000000, -0.0002060200000000, -0.0002340400000000 ] - [ -0.0000283300000000, -0.0000035400000000, -0.0010056200000000 ] - [ 0.0002853600000000, -0.0000511800000000, 0.0000683500000000 ] - [ 0.0000576700000000, 0.0001386500000000, 0.0009613400000000 ] - [ 0.0004678500000000, -0.0000437700000000, 0.0002170100000000 ] - [ 0.0000301600000000, 0.0003168500000000, -0.0000590700000000 ] - [ 0.0001701600000000, -0.0000191700000000, -0.0000112700000000 ] - [ -0.0002488300000000, -0.0000024100000000, -0.0002059600000000 ] - [ -0.0000211200000000, 0.0000535300000000, -0.0010104100000000 ] - [ 0.0000091900000000, -0.0003671300000000, -0.0000911200000000 ] - [ 0.0005349700000000, 0.0007754300000000, -0.0007480200000000 ] - [ 0.0000268700000000, -0.0002134700000000, -0.0002691900000000 ] - [ -0.0006384000000000, -0.0000321200000000, 0.0012322200000000 ] - [ 0.0000073100000000, 0.0003853300000000, -0.0000152400000000 ] - [ 0.0000773100000000, 0.0001056300000000, -0.0004662900000000 ] - [ 0.0003512900000000, -0.0005277600000000, 0.0012166000000000 ] - [ 0.0000030500000000, -0.0000903800000000, -0.0003040500000000 ] - [ 0.0003892800000000, -0.0001526100000000, 0.0000339200000000 ] - [ -0.0001096800000000, -0.0001076200000000, -0.0000308600000000 ] - [ 0.0001101400000000, -0.0001052700000000, 0.0001990700000000 ] - [ -0.0000998200000000, -0.0001552000000000, -0.0000129600000000 ] - [ -0.0000814700000000, -0.0000106700000000, -0.0003064100000000 ] - [ -0.0001747300000000, 0.0000124000000000, 0.0002043400000000 ] - [ -0.0003167100000000, -0.0001390600000000, 0.0000466200000000 ] - [ 0.0015557700000000, 0.0031125300000000, 0.0006086800000000 ] - [ 0.0001798100000000, 0.0001246900000000, -0.0002781200000000 ] - [ 0.0002649200000000, 0.0005253400000000, 0.0008205800000000 ] - [ -0.0001993600000000, 0.0001038300000000, -0.0002681600000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000370500000000, 0.0002456300000000, 0.0003223800000000 ] - [ -0.0001796000000000, 0.0000484900000000, 0.0004016100000000 ] - [ -0.0000279800000000, 0.0000164700000000, 0.0001937000000000 ] - [ 0.0001926200000000, -0.0000506200000000, 0.0000384700000000 ] - [ -0.0001758300000000, 0.0000589700000000, -0.0002416100000000 ] - [ -0.0001737500000000, -0.0002191300000000, -0.0000176400000000 ] - [ -0.0000872000000000, -0.0000110200000000, -0.0033846800000000 ] - [ 0.0000434200000000, -0.0001882700000000, -0.0003986600000000 ] - [ -0.0001316700000000, 0.0001380200000000, 0.0000986500000000 ] - [ 0.0002111300000000, -0.0003532700000000, 0.0002182300000000 ] - [ -0.0000035600000000, 0.0002013400000000, 0.0002322500000000 ] - [ 0.0000379300000000, -0.0001445400000000, -0.0001362600000000 ] - [ -0.0000340600000000, 0.0015230900000000, -0.0006738400000000 ] - [ 0.0000053400000000, -0.0000782800000000, 0.0003075400000000 ] - [ 0.0005272100000000, 0.0000942200000000, 0.0002647700000000 ] - [ -0.0001297400000000, -0.0002790200000000, 0.0001560700000000 ] - [ 0.0001914900000000, -0.0001072500000000, 0.0003171100000000 ] - [ -0.0001131000000000, 0.0000955700000000, 0.0000412800000000 ] - [ 0.0002922300000000, -0.0003587400000000, -0.0004002700000000 ] - [ -0.0002107900000000, 0.0005022300000000, -0.0004340000000000 ] - [ -0.0005491000000000, -0.0007600300000000, 0.0004663500000000 ] - [ -0.0004461300000000, -0.0004558700000000, -0.0005996600000000 ] - [ -0.0000120300000000, -0.0002375400000000, 0.0002586300000000 ] - [ 0.0000312600000000, -0.0000158100000000, 0.0001957500000000 ] - [ 0.0002337400000000, 0.0003392800000000, 0.0002307200000000 ] - [ -0.0030931400000000, 0.0022704000000000, -0.0003398300000000 ] - [ -0.0029014500000000, -0.0025833700000000, 0.0000380600000000 ] - [ -0.0001333000000000, -0.0000424900000000, 0.0002918800000000 ] - [ 0.0002588400000000, 0.0001421700000000, 0.0003125100000000 ] - [ 0.0000568800000000, 0.0000972300000000, 0.0003281900000000 ] - [ 0.0003608800000000, 0.0004662300000000, 0.0000111300000000 ] - [ 0.0001516000000000, -0.0001362100000000, -0.0002851600000000 ] - [ 0.0001033100000000, 0.0000495300000000, 0.0002713800000000 ] - [ 0.0000088600000000, -0.0000934100000000, 0.0003640600000000 ] - [ 0.0000726500000000, 0.0001047400000000, -0.0001905300000000 ] - [ -0.0002510100000000, 0.0000068900000000, 0.0003707800000000 ] - [ -0.0010525200000000, 0.0005108500000000, -0.0002322100000000 ] - [ -0.0002741700000000, 0.0004307800000000, 0.0000736900000000 ] - [ 0.0020551200000000, -0.0009211900000000, 0.0018822300000000 ] - [ 0.0000133900000000, -0.0000785700000000, 0.0001889100000000 ] - [ -0.0012294000000000, 0.0001628600000000, -0.0004181800000000 ] - [ 0.0002970800000000, -0.0000079700000000, 0.0001382500000000 ] - [ -0.0005686800000000, -0.0014591600000000, -0.0002593400000000 ] - [ 0.0009668300000000, 0.0009372800000000, 0.0001163600000000 ] - [ -0.0006808600000000, -0.0003147300000000, 0.0003034200000000 ] - [ 0.0001435500000000, -0.0001196100000000, 0.0002699700000000 ] - [ 0.0060833300000000, 0.0009719500000000, 0.0003856000000000 ] - [ -0.0001925200000000, -0.0002180900000000, -0.0000006600000000 ] - [ 0.0009943200000000, -0.0006829200000000, 0.0003807500000000 ] - [ 0.0005398200000000, -0.0005644100000000, -0.0003993500000000 ] - [ -0.0000491800000000, -0.0000195600000000, 0.0003396300000000 ] - [ -0.0002205200000000, 0.0001174600000000, 0.0002610500000000 ] - [ -0.0000137100000000, 0.0000530200000000, -0.0001581500000000 ] - [ 0.0001315300000000, 0.0001772400000000, -0.0002031000000000 ] - [ -0.0000296600000000, -0.0000777800000000, 0.0002421100000000 ] - [ -0.0008386500000000, 0.0000289300000000, 0.0022812200000000 ] - [ -0.0008344800000000, -0.0003371800000000, -0.0002732300000000 ] - [ -0.0001806800000000, -0.0000693500000000, 0.0002741000000000 ] - [ 0.0016982200000000, 0.0005247800000000, -0.0018266500000000 ] - [ -0.0007654200000000, 0.0003185100000000, 0.0005082500000000 ] - [ 0.0036278000000000, -0.0029570100000000, -0.0006533200000000 ] - [ -0.0004690300000000, -0.0003305100000000, 0.0001823400000000 ] - [ 0.0001360900000000, 0.0000460000000000, 0.0001297600000000 ] - [ -0.0000799300000000, -0.0000388700000000, 0.0005414300000000 ] - [ -0.0004718900000000, -0.0000582800000000, 0.0001373500000000 ] - [ 0.0013646300000000, 0.0022923100000000, -0.0009536100000000 ] - [ -0.0009467800000000, 0.0017356100000000, -0.0049678700000000 ] - [ 0.1465990100000000, 0.1059687900000000, -0.0496296100000000 ] - [ 0.0009376100000000, 0.0013662500000000, 0.0013186000000000 ] - [ -0.0000094200000000, -0.0000859500000000, 0.0004636800000000 ] - [ -0.0005377600000000, -0.0019707900000000, -0.0017112700000000 ] - [ 0.0002957300000000, -0.0003994300000000, 0.0004672700000000 ] - [ -0.0000533200000000, 0.0002987200000000, -0.0000723700000000 ] - [ -0.0006107400000000, -0.0012489100000000, -0.0002842300000000 ] - [ -0.0037522500000000, 0.0043997100000000, 0.0025089700000000 ] - [ -0.0005389700000000, -0.0001825100000000, -0.0004965300000000 ] - [ -0.0000010600000000, -0.0000046600000000, 0.0005041300000000 ] - [ 0.0000824400000000, 0.0000464200000000, 0.0004014700000000 ] - [ -0.0027445200000000, -0.0000024500000000, -0.0005431300000000 ] - [ -0.0000093800000000, -0.0000906600000000, 0.0001823800000000 ] - [ -0.0000574200000000, 0.0000471800000000, 0.0000565200000000 ] - [ 0.0000594800000000, 0.0000459600000000, -0.0001607100000000 ] - [ -0.0000032100000000, -0.0028267600000000, 0.0010792600000000 ] - [ 0.0005243100000000, 0.0003556700000000, 0.0009478900000000 ] - [ -0.0000220800000000, -0.0000284700000000, -0.0000662600000000 ] - [ -0.0000056900000000, -0.0000490800000000, -0.0002137500000000 ] - [ 0.0000195900000000, 0.0000494000000000, 0.0000749200000000 ] - [ 0.0000525700000000, 0.0016492000000000, -0.0008653700000000 ] - [ 0.0003523100000000, 0.0002294800000000, 0.0001966200000000 ] - [ 0.0002602100000000, -0.0000167300000000, 0.0001391700000000 ] - [ 0.0000085000000000, -0.0000110300000000, 0.0003493200000000 ] - [ -0.0001010300000000, -0.0015892600000000, 0.0008064500000000 ] - [ -0.1646977200000000, -0.1445522300000000, 0.0657395600000000 ] - [ 0.0000458900000000, 0.0000188500000000, 0.0001111300000000 ] - [ 0.0008586000000000, 0.0007571500000000, -0.0002567500000000 ] - [ -0.0000169700000000, 0.0005293900000000, -0.0008494200000000 ] - [ 0.0000104600000000, -0.0000502100000000, 0.0001125300000000 ] - [ -0.0002721000000000, 0.0001844900000000, 0.0001099300000000 ] - [ 0.0005707300000000, 0.0000346200000000, 0.0003784500000000 ] - [ -0.0018196800000000, -0.0003516100000000, -0.0007506900000000 ] - [ 0.0037206900000000, -0.0021682700000000, -0.0034043300000000 ] - [ -0.0000783800000000, -0.0000817400000000, -0.0001373800000000 ] - [ -0.0012633000000000, -0.0006789300000000, 0.0000087600000000 ] - [ -0.0001548000000000, -0.0003087700000000, 0.0004498500000000 ] - [ -0.0000208700000000, 0.0007771700000000, -0.0000504400000000 ] - [ 0.0000700700000000, 0.0000928300000000, -0.0000845600000000 ] - [ 0.0002518200000000, 0.0001376800000000, 0.0001338800000000 ] - [ -0.0002273900000000, 0.0011130400000000, 0.0004021800000000 ] - [ -0.0119858900000000, 0.0078802500000000, -0.0076952700000000 ] - [ 0.0007397300000000, 0.0005040700000000, -0.0002637500000000 ] - [ 0.0000917600000000, 0.0000328700000000, 0.0003349200000000 ] - [ 0.0003193300000000, -0.0002082700000000, -0.0001970900000000 ] - [ 0.0000159800000000, 0.0000703900000000, -0.0002837200000000 ] - [ 0.0005601900000000, -0.0008134900000000, -0.0015282800000000 ] - [ -0.0000473400000000, 0.0003137600000000, 0.0001459300000000 ] - [ 0.0000602400000000, -0.0011479000000000, -0.0002714400000000 ] - [ -0.0002110500000000, -0.0000519400000000, -0.0001602100000000 ] - [ 0.0005531300000000, 0.0014991500000000, 0.0004304200000000 ] - [ -0.0002158100000000, -0.0001645100000000, -0.0002662600000000 ] - [ -0.0000765600000000, -0.0007900800000000, -0.0002688600000000 ] - [ 0.0000342500000000, -0.0000004700000000, 0.0002418200000000 ] - [ 0.0003942500000000, 0.0002786000000000, -0.0000683600000000 ] - [ 0.0019416200000000, 0.0005839300000000, 0.0001284700000000 ] - [ -0.0001907400000000, -0.0002854800000000, 0.0001557100000000 ] - [ 0.0000771700000000, 0.0000261400000000, -0.0003046700000000 ] - [ 0.0012458100000000, -0.0007086100000000, -0.0000650000000000 ] - [ -0.0000902500000000, -0.0001227000000000, 0.0001086700000000 ] - [ 0.0018306600000000, -0.0008152500000000, -0.0001920100000000 ] - [ -0.0000991800000000, 0.0002224400000000, 0.0001346500000000 ] - [ -0.0004827800000000, 0.0000617800000000, -0.0002306000000000 ] - [ -0.0000077900000000, 0.0000181700000000, -0.0002470100000000 ] - [ -0.0001582800000000, 0.0007329300000000, -0.0001423500000000 ] - [ 0.0000790400000000, -0.0000341200000000, 0.0004065400000000 ] - [ -0.0002790500000000, 0.0005340200000000, 0.0003811600000000 ] - [ 0.0005795300000000, 0.0001271200000000, 0.0001573200000000 ] - [ -0.0000113100000000, -0.0000112000000000, 0.0004222400000000 ] - [ 0.0002236900000000, 0.0002166800000000, -0.0000291900000000 ] - [ -0.0000096300000000, 0.0000559300000000, 0.0000292700000000 ] - [ 0.0313219900000000, 0.0389218200000000, -0.0096180400000000 ] - [ 0.0003341500000000, -0.0001662000000000, -0.0001277400000000 ] - [ 0.0000886000000000, -0.0000159800000000, 0.0001379000000000 ] - [ -0.0003231400000000, -0.0003557000000000, 0.0005189600000000 ] - [ 0.0000071700000000, 0.0000624100000000, -0.0004141100000000 ] - [ -0.0002747600000000, -0.0004414700000000, 0.0003689500000000 ] - [ 0.0006098600000000, 0.0004732400000000, 0.0003347100000000 ] - [ 0.0000266200000000, -0.0001773100000000, -0.0001244300000000 ] - [ 0.0000215800000000, -0.0002680900000000, 0.0001095100000000 ] - [ -0.0000089200000000, 0.0009593300000000, 0.0005645700000000 ] - [ -0.0000388400000000, 0.0003825200000000, -0.0006362200000000 ] - [ -0.0001363700000000, -0.0001329100000000, -0.0006515800000000 ] - [ 0.0000568400000000, 0.0000036300000000, -0.0002407000000000 ] - [ -0.0002088500000000, -0.0000802700000000, -0.0003112200000000 ] - [ 0.0018079700000000, -0.0012256600000000, 0.0036863200000000 ] - [ 0.0005253700000000, -0.0013178800000000, -0.0009907000000000 ] - [ 0.0003088400000000, -0.0000768600000000, -0.0009547600000000 ] - [ 0.0000090900000000, -0.0004080300000000, -0.0002197000000000 ] - [ 0.0006930000000000, -0.0010585600000000, -0.0008695400000000 ] - [ 0.0005310300000000, -0.0002148100000000, 0.0005774100000000 ] - [ -0.0165890400000000, -0.0112368100000000, 0.0007234100000000 ] - [ 0.0008061100000000, -0.0012706200000000, 0.0007398300000000 ] - [ -0.0000107100000000, -0.0001051800000000, 0.0000122200000000 ] - [ 0.0003212100000000, -0.0001225100000000, 0.0001174400000000 ] - [ -0.0001010100000000, 0.0000666800000000, 0.0001214200000000 ] - [ -0.0000423200000000, 0.0000723800000000, -0.0001653900000000 ] - [ 0.0000741200000000, 0.0011551900000000, 0.0008077500000000 ] - [ -0.0003626400000000, 0.0002295000000000, -0.0004764500000000 ] - [ 0.0001052300000000, 0.0002753100000000, 0.0002303700000000 ] - [ 0.0001158600000000, -0.0000310800000000, -0.0000050600000000 ] - [ -0.0002466700000000, -0.0001677300000000, 0.0001254300000000 ] - [ 0.0000542500000000, 0.0000750900000000, -0.0002795000000000 ] - [ -0.0000419600000000, -0.0001736200000000, 0.0002736600000000 ] - [ 0.0023162600000000, -0.0002156800000000, -0.0009626500000000 ] - [ -0.0000960100000000, -0.0001111800000000, 0.0000036400000000 ] - [ 0.0003798500000000, 0.0001519300000000, 0.0000204500000000 ] - [ -0.0002012300000000, 0.0000145400000000, 0.0001167300000000 ] - [ 0.0003989200000000, -0.0000288500000000, -0.0003672000000000 ] - [ -0.0015056500000000, -0.0003510000000000, 0.0001219800000000 ] - [ -0.0001959500000000, -0.0000127100000000, -0.0000445000000000 ] - [ -0.0000121200000000, 0.0001585500000000, 0.0001137700000000 ] - [ 0.0008118100000000, 0.0042865800000000, 0.0026717500000000 ] - [ 0.0006822000000000, 0.0030261000000000, -0.0018014100000000 ] - [ -0.0003137100000000, -0.0000195100000000, 0.0001031100000000 ] - [ -0.0001266800000000, 0.0001696900000000, 0.0005653900000000 ] - [ -0.0002013400000000, -0.0002202500000000, -0.0002408600000000 ] - [ 0.0002077200000000, -0.0001663100000000, 0.0001009000000000 ] - [ 0.0022885600000000, -0.0000958800000000, 0.0009353400000000 ] - [ 0.0001273700000000, -0.0000024500000000, 0.0000388800000000 ] - [ 0.0001167900000000, -0.0000747100000000, 0.0000715800000000 ] - [ -0.0000298200000000, 0.0001156000000000, 0.0000391300000000 ]- atom: 93 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000145300000000, 0.0001724400000000, 0.0001049300000000 ] - [ 0.0000677600000000, 0.0001797600000000, -0.0000638100000000 ] - [ -0.0000220400000000, 0.0000853300000000, 0.0000812000000000 ] - [ -0.0001793300000000, -0.0002260600000000, 0.0002092100000000 ] - [ -0.0000723700000000, 0.0003868400000000, -0.0001987600000000 ] - [ -0.0000450400000000, -0.0001619700000000, 0.0000117500000000 ] - [ 0.0005493900000000, 0.0000206300000000, 0.0033631200000000 ] - [ -0.0003012200000000, -0.0002594500000000, -0.0000374800000000 ] - [ 0.0000037000000000, 0.0001072100000000, 0.0000126900000000 ] - [ -0.0004483900000000, 0.0007446000000000, -0.0002313900000000 ] - [ 0.0000156900000000, 0.0000890800000000, 0.0000090000000000 ] - [ -0.0001787100000000, -0.0002938900000000, -0.0001124800000000 ] - [ -0.0001886100000000, -0.0019432300000000, 0.0000887400000000 ] - [ 0.0000251800000000, -0.0000790900000000, 0.0001902900000000 ] - [ -0.0000990900000000, -0.0002024400000000, -0.0005212800000000 ] - [ 0.0000107900000000, 0.0000734900000000, 0.0001866400000000 ] - [ 0.0000624800000000, 0.0001245000000000, 0.0000193600000000 ] - [ 0.0003589800000000, 0.0000601800000000, 0.0002024100000000 ] - [ -0.0003252900000000, 0.0006568100000000, 0.0005165500000000 ] - [ 0.0000145400000000, -0.0000718500000000, -0.0001524400000000 ] - [ 0.0010074100000000, 0.0007559100000000, -0.0004812600000000 ] - [ 0.0007211100000000, 0.0005815500000000, 0.0007180800000000 ] - [ 0.0000659800000000, -0.0001946100000000, 0.0001661800000000 ] - [ 0.0000818200000000, 0.0000232300000000, 0.0000789000000000 ] - [ 0.0000416200000000, -0.0003336600000000, 0.0003544400000000 ] - [ 0.0028400300000000, -0.0026304200000000, -0.0002453900000000 ] - [ 0.0027907900000000, 0.0027819300000000, -0.0003669100000000 ] - [ -0.0000182900000000, -0.0000102900000000, 0.0002053700000000 ] - [ 0.0000767200000000, 0.0001116900000000, 0.0001150900000000 ] - [ -0.0000406400000000, 0.0000612500000000, 0.0001662800000000 ] - [ 0.0003843500000000, -0.0004803300000000, 0.0000312200000000 ] - [ 0.0003587800000000, 0.0001433000000000, -0.0001566200000000 ] - [ 0.0000261200000000, 0.0000441800000000, 0.0002228000000000 ] - [ 0.0001225900000000, -0.0000144800000000, 0.0001285100000000 ] - [ 0.0003656800000000, -0.0000006000000000, -0.0000662700000000 ] - [ 0.0000059600000000, -0.0001316300000000, -0.0001240500000000 ] - [ 0.0006693700000000, 0.0001341400000000, 0.0002715400000000 ] - [ 0.0001450500000000, -0.0000016900000000, -0.0003321400000000 ] - [ -0.0024432500000000, 0.0002551200000000, -0.0018527300000000 ] - [ -0.0001454500000000, -0.0001497200000000, -0.0000709000000000 ] - [ 0.0016981500000000, -0.0001179200000000, -0.0001689000000000 ] - [ -0.0000644900000000, -0.0001755000000000, 0.0001039600000000 ] - [ 0.0004597500000000, 0.0012732100000000, -0.0000813800000000 ] - [ -0.0011954900000000, -0.0005421700000000, -0.0001071800000000 ] - [ 0.0006496700000000, 0.0000074500000000, -0.0001975500000000 ] - [ 0.0001957700000000, -0.0001299300000000, 0.0001549500000000 ] - [ -0.0069800500000000, -0.0008282200000000, -0.0010393100000000 ] - [ -0.0000544900000000, 0.0000406900000000, 0.0001026100000000 ] - [ -0.0012452700000000, 0.0008724400000000, -0.0002872800000000 ] - [ -0.0002968600000000, 0.0006013200000000, 0.0000655900000000 ] - [ -0.0001103800000000, 0.0000794900000000, 0.0001529800000000 ] - [ -0.0001652800000000, 0.0000510000000000, 0.0001636300000000 ] - [ -0.0002628400000000, 0.0000586100000000, 0.0004029600000000 ] - [ -0.0004399900000000, 0.0001421900000000, -0.0000516700000000 ] - [ -0.0000333200000000, -0.0000314400000000, 0.0000256100000000 ] - [ 0.0011327400000000, -0.0001446400000000, -0.0021668000000000 ] - [ 0.0006112500000000, -0.0000487000000000, 0.0002641200000000 ] - [ -0.0002208800000000, -0.0001001100000000, 0.0001502200000000 ] - [ -0.0018612900000000, -0.0007788300000000, 0.0024102700000000 ] - [ 0.0006352400000000, -0.0000712600000000, 0.0000808200000000 ] - [ -0.0032254100000000, 0.0029012200000000, 0.0000788000000000 ] - [ 0.0001607300000000, -0.0000081200000000, -0.0004329700000000 ] - [ 0.0001394300000000, -0.0000349300000000, -0.0000169600000000 ] - [ 0.0001320800000000, -0.0000515800000000, 0.0000464500000000 ] - [ 0.0004055900000000, 0.0001739800000000, 0.0000998500000000 ] - [ -0.0013528500000000, -0.0022940200000000, 0.0011197600000000 ] - [ 0.0009453300000000, -0.0017544300000000, 0.0040174400000000 ] - [ -0.1454364100000000, -0.1015994400000000, 0.0477284600000000 ] - [ -0.0009343600000000, -0.0013700400000000, -0.0023100600000000 ] - [ 0.0000104600000000, 0.0000874800000000, 0.0004356500000000 ] - [ 0.0005451000000000, 0.0019742100000000, 0.0010374500000000 ] - [ -0.0000618000000000, 0.0008099800000000, -0.0009390700000000 ] - [ -0.0004153100000000, -0.0002983500000000, -0.0004009700000000 ] - [ 0.0000345600000000, 0.0012444600000000, 0.0001881200000000 ] - [ 0.0037563500000000, -0.0044314200000000, -0.0023628800000000 ] - [ 0.0007733000000000, -0.0002201000000000, 0.0000188400000000 ] - [ -0.0001038300000000, 0.0000044100000000, 0.0000826200000000 ] - [ -0.0000270100000000, 0.0000497300000000, 0.0001920000000000 ] - [ 0.0030449300000000, -0.0004752400000000, 0.0004482500000000 ] - [ 0.0001400600000000, 0.0000873200000000, 0.0000538000000000 ] - [ 0.0000722100000000, -0.0000568600000000, -0.0006515200000000 ] - [ -0.0000748700000000, -0.0000373700000000, -0.0004333900000000 ] - [ 0.0000274600000000, 0.0028341600000000, -0.0003812300000000 ] - [ -0.0005957400000000, -0.0004767800000000, -0.0007217100000000 ] - [ 0.0000210400000000, 0.0000247800000000, -0.0001733600000000 ] - [ 0.0000028100000000, 0.0000463800000000, -0.0000250900000000 ] - [ -0.0000179900000000, -0.0000460600000000, 0.0002537600000000 ] - [ 0.0000545100000000, -0.0018455200000000, 0.0011155600000000 ] - [ 0.0000716100000000, -0.0000563700000000, 0.0003562900000000 ] - [ 0.0003648700000000, 0.0000120700000000, 0.0002840300000000 ] - [ -0.0000093400000000, 0.0000100400000000, 0.0007138000000000 ] - [ 0.0002955900000000, 0.0018625900000000, -0.0014557300000000 ] - [ 0.1640334200000000, 0.1405878300000000, -0.0639613100000000 ] - [ -0.0003473300000000, -0.0000097600000000, -0.0002070500000000 ] - [ -0.0005863600000000, -0.0005995100000000, -0.0002456400000000 ] - [ 0.0000105300000000, -0.0005333000000000, 0.0000406200000000 ] - [ 0.0000730700000000, 0.0000453800000000, 0.0003328400000000 ] - [ -0.0002285500000000, 0.0002035200000000, 0.0002635700000000 ] - [ 0.0005324000000000, -0.0000298300000000, 0.0004215100000000 ] - [ 0.0001590100000000, 0.0003031700000000, -0.0002133300000000 ] - [ -0.0035452100000000, 0.0019006200000000, 0.0027823900000000 ] - [ -0.0000140000000000, -0.0000782500000000, -0.0000574700000000 ] - [ 0.0009209700000000, 0.0007172500000000, -0.0006614500000000 ] - [ 0.0010331500000000, 0.0017278400000000, -0.0014231100000000 ] - [ -0.0002201000000000, -0.0007833900000000, 0.0003107300000000 ] - [ 0.0002001300000000, 0.0003497000000000, -0.0001604500000000 ] - [ 0.0003103100000000, 0.0001030700000000, 0.0002399000000000 ] - [ 0.0001019300000000, -0.0009023100000000, -0.0003971000000000 ] - [ 0.0116493000000000, -0.0081726000000000, 0.0073477900000000 ] - [ -0.0007483900000000, -0.0002051800000000, -0.0002363500000000 ] - [ -0.0001376900000000, 0.0000368600000000, 0.0001121200000000 ] - [ -0.0000929000000000, -0.0001788800000000, -0.0001359800000000 ] - [ -0.0001108700000000, 0.0000775700000000, 0.0000898500000000 ] - [ -0.0005590400000000, 0.0008232200000000, 0.0015058500000000 ] - [ -0.0000252500000000, 0.0002930800000000, 0.0002277500000000 ] - [ -0.0000659200000000, 0.0011442900000000, 0.0018933400000000 ] - [ -0.0002361800000000, 0.0000562800000000, -0.0001719200000000 ] - [ -0.0004472500000000, -0.0013102300000000, -0.0001801100000000 ] - [ 0.0000061100000000, 0.0001561800000000, -0.0000664800000000 ] - [ 0.0002123500000000, 0.0004834900000000, -0.0003790600000000 ] - [ -0.0005564600000000, 0.0000078200000000, -0.0004850200000000 ] - [ -0.0001471900000000, 0.0001757900000000, -0.0001742200000000 ] - [ -0.0022155500000000, -0.0004260000000000, -0.0006342000000000 ] - [ -0.0001230700000000, -0.0002579500000000, 0.0002693700000000 ] - [ 0.0000532500000000, -0.0000200200000000, -0.0002082500000000 ] - [ -0.0010877300000000, 0.0004405800000000, -0.0000323400000000 ] - [ 0.0000129700000000, -0.0000219600000000, 0.0002095400000000 ] - [ -0.0021665200000000, 0.0007870200000000, -0.0004534900000000 ] - [ -0.0002177800000000, 0.0003165600000000, 0.0002886500000000 ] - [ 0.0001141200000000, 0.0002163600000000, 0.0007903400000000 ] - [ 0.0002639000000000, -0.0004948200000000, 0.0000021300000000 ] - [ 0.0004342500000000, -0.0008782200000000, -0.0003616400000000 ] - [ -0.0004312900000000, -0.0002388500000000, 0.0001427200000000 ] - [ -0.0002688100000000, 0.0004239300000000, 0.0004188100000000 ] - [ -0.0007136500000000, 0.0001094400000000, -0.0005243900000000 ] - [ 0.0000107100000000, 0.0000099600000000, 0.0006412600000000 ] - [ 0.0000510100000000, -0.0002085600000000, -0.0003375800000000 ] - [ -0.0000760500000000, 0.0000973300000000, 0.0002855400000000 ] - [ -0.0305977200000000, -0.0381327600000000, 0.0090160000000000 ] - [ -0.0002372400000000, -0.0000209200000000, -0.0002038700000000 ] - [ 0.0000872000000000, 0.0000181900000000, 0.0001762100000000 ] - [ 0.0003237300000000, 0.0003579400000000, -0.0005523100000000 ] - [ -0.0000058300000000, -0.0000595600000000, -0.0004534300000000 ] - [ -0.0002754500000000, -0.0005112100000000, 0.0004312500000000 ] - [ -0.0003685400000000, -0.0004745700000000, -0.0003304700000000 ] - [ 0.0003991500000000, -0.0000025900000000, 0.0006834700000000 ] - [ -0.0000954500000000, -0.0003514300000000, 0.0002640200000000 ] - [ -0.0001192600000000, -0.0011710400000000, -0.0005595500000000 ] - [ 0.0001411000000000, -0.0002073800000000, 0.0003052800000000 ] - [ 0.0000767600000000, 0.0000297900000000, 0.0001445200000000 ] - [ 0.0001185400000000, -0.0000115000000000, 0.0000469500000000 ] - [ 0.0004356300000000, 0.0004717500000000, -0.0000189800000000 ] - [ -0.0018264400000000, 0.0012345300000000, -0.0020892200000000 ] - [ 0.0003386100000000, -0.0000958200000000, 0.0000264700000000 ] - [ 0.0004722400000000, 0.0015339800000000, -0.0000114100000000 ] - [ 0.0002591100000000, -0.0000402200000000, -0.0000256200000000 ] - [ -0.0005493000000000, 0.0013809700000000, 0.0002213300000000 ] - [ -0.0021932500000000, 0.0002584700000000, -0.0015529800000000 ] - [ 0.0165073000000000, 0.0106777500000000, -0.0011496700000000 ] - [ -0.0000225000000000, -0.0001901400000000, -0.0017159000000000 ] - [ -0.0000757300000000, -0.0000335100000000, 0.0003066600000000 ] - [ 0.0002645500000000, -0.0001170400000000, 0.0002559600000000 ] - [ 0.0000187500000000, 0.0000664500000000, 0.0001982800000000 ] - [ -0.0000022000000000, -0.0001500700000000, 0.0006141100000000 ] - [ -0.0000836500000000, -0.0011590100000000, -0.0008860600000000 ] - [ -0.0001763000000000, -0.0002471300000000, 0.0002328700000000 ] - [ -0.0001664500000000, 0.0001810400000000, 0.0003213700000000 ] - [ 0.0000403700000000, 0.0000268000000000, 0.0003252500000000 ] - [ -0.0002529900000000, -0.0002060100000000, 0.0002482400000000 ] - [ -0.0001147200000000, 0.0000403700000000, -0.0002330300000000 ] - [ -0.0000183700000000, -0.0002653700000000, 0.0002766100000000 ] - [ -0.0022692800000000, 0.0001275200000000, 0.0009074400000000 ] - [ -0.0000195900000000, -0.0000889700000000, 0.0001928700000000 ] - [ -0.0003849500000000, -0.0001718100000000, 0.0001383400000000 ] - [ -0.0002565700000000, -0.0000086700000000, 0.0002206700000000 ] - [ -0.0003759600000000, -0.0000189000000000, 0.0004035800000000 ] - [ 0.0015028900000000, 0.0003463200000000, 0.0000225100000000 ] - [ 0.0001433200000000, 0.0000107400000000, 0.0000851200000000 ] - [ 0.0002453000000000, 0.0002456200000000, 0.0002208100000000 ] - [ -0.0007681800000000, -0.0042428100000000, -0.0027478800000000 ] - [ -0.0006743800000000, -0.0030172200000000, 0.0011090800000000 ] - [ 0.0002284600000000, 0.0000019900000000, -0.0001450700000000 ] - [ 0.0001539600000000, -0.0001253400000000, -0.0005326500000000 ] - [ 0.0001955900000000, 0.0002170800000000, -0.0004774800000000 ] - [ 0.0000255700000000, -0.0002278300000000, 0.0002365600000000 ] - [ -0.0022682500000000, 0.0000849100000000, -0.0016379200000000 ] - [ 0.0001104700000000, 0.0000049400000000, 0.0001561300000000 ] - [ -0.0001303500000000, 0.0000639600000000, 0.0000864000000000 ] - [ -0.0000871900000000, 0.0000915700000000, 0.0001564200000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000953900000000, 0.0000706800000000, -0.0002997800000000 ] - [ 0.0002476200000000, 0.0002688300000000, -0.0002028700000000 ] - [ -0.0000266500000000, 0.0000687400000000, -0.0002042300000000 ] - [ -0.0002992500000000, 0.0000380800000000, -0.0002177300000000 ] - [ -0.0000750300000000, 0.0003454700000000, -0.0003432800000000 ] - [ -0.0002914300000000, -0.0000720800000000, 0.0002766800000000 ] - [ -0.0015575000000000, -0.0011498300000000, 0.0002263100000000 ] - [ -0.0004250200000000, -0.0007361600000000, -0.0006171500000000 ] - [ -0.0000713800000000, 0.0001422900000000, -0.0003071400000000 ] - [ -0.0000449100000000, 0.0010215700000000, 0.0000738200000000 ] - [ -0.0000052600000000, 0.0001627100000000, -0.0000796100000000 ] - [ -0.0000948700000000, 0.0000047600000000, -0.0004720900000000 ] - [ -0.0003466100000000, -0.0003770400000000, 0.0008882000000000 ] - [ -0.0000015100000000, -0.0000887500000000, -0.0001014600000000 ] - [ 0.0005508200000000, -0.0003117400000000, -0.0010292700000000 ] - [ -0.0000536500000000, -0.0000929300000000, -0.0000845800000000 ] - [ 0.0001090000000000, 0.0003488600000000, -0.0002028700000000 ] - [ 0.0001435400000000, 0.0000768000000000, -0.0000796100000000 ] - [ 0.0000970900000000, -0.0002228800000000, 0.0002507800000000 ] - [ -0.0001895300000000, 0.0002978100000000, 0.0004668400000000 ] - [ 0.0009071600000000, 0.0004718900000000, 0.0000738200000000 ] - [ -0.0002415600000000, -0.0000273600000000, 0.0002507800000000 ] - [ 0.0000399000000000, -0.0001996700000000, -0.0001451000000000 ] - [ 0.0000728600000000, 0.0000113000000000, -0.0002042300000000 ] - [ -0.0001067900000000, 0.0001040700000000, 0.0005227800000000 ] - [ -0.0001532300000000, -0.0004886900000000, 0.0008882000000000 ] - [ 0.0004776700000000, 0.0002833200000000, 0.0005414100000000 ] - [ -0.0000761100000000, -0.0000456900000000, -0.0001014600000000 ] - [ 0.0000135200000000, 0.0001179500000000, -0.0002997800000000 ] - [ 0.0000104500000000, 0.0000360300000000, -0.0002039700000000 ] - [ 0.0003552000000000, -0.0000312400000000, 0.0002808400000000 ] - [ 0.0003367000000000, 0.0001077600000000, -0.0003432800000000 ] - [ 0.0000259700000000, 0.0000270700000000, -0.0002039700000000 ] - [ 0.0001591700000000, -0.0000403700000000, -0.0001637900000000 ] - [ 0.0000571900000000, 0.0000822300000000, -0.0004037900000000 ] - [ 0.0001826000000000, -0.0002401200000000, -0.0002177300000000 ] - [ -0.0002046500000000, 0.0002919900000000, 0.0002808400000000 ] - [ 0.0000426100000000, 0.0000906400000000, -0.0004037900000000 ] - [ 0.0003554600000000, 0.0006156800000000, 0.0016145500000000 ] - [ -0.0000883100000000, -0.0001529600000000, -0.0004902500000000 ] - [ 0.0003526800000000, -0.0000152300000000, 0.0004668400000000 ] - [ 0.0001266900000000, -0.0004291000000000, -0.0002603500000000 ] - [ 0.0001104300000000, 0.0001912700000000, 0.0008919900000000 ] - [ -0.0002170300000000, -0.0019237500000000, 0.0002263100000000 ] - [ 0.0002355400000000, -0.0000115200000000, 0.0002665600000000 ] - [ 0.0001491300000000, -0.0001251800000000, -0.0001411300000000 ] - [ 0.0018007800000000, 0.0006930900000000, 0.0028216900000000 ] - [ -0.0001277500000000, 0.0001982300000000, 0.0002665600000000 ] - [ -0.0019143500000000, 0.0028047100000000, -0.0005468900000000 ] - [ 0.0000065200000000, 0.0005553300000000, 0.0005414100000000 ] - [ -0.0001145500000000, 0.0001176600000000, -0.0001637900000000 ] - [ -0.0001829800000000, 0.0000665600000000, -0.0001411300000000 ] - [ -0.0004349600000000, -0.0001048300000000, -0.0002603500000000 ] - [ -0.0005453900000000, 0.0003211500000000, -0.0010292700000000 ] - [ 0.0000208200000000, 0.0000360500000000, -0.0003675200000000 ] - [ 0.0033861300000000, -0.0002555200000000, -0.0005468900000000 ] - [ 0.0000832900000000, -0.0002884300000000, 0.0002766800000000 ] - [ -0.0001928700000000, -0.0000652900000000, -0.0001451000000000 ] - [ -0.0016755200000000, -0.0029020900000000, -0.0025261200000000 ] - [ 0.0001435200000000, -0.0000404500000000, 0.0005227800000000 ] - [ -0.0003001500000000, 0.0019060700000000, 0.0028216900000000 ] - [ 0.0000515600000000, -0.0000797800000000, -0.0004720900000000 ] - [ 0.0001589200000000, 0.0000093300000000, -0.0003071400000000 ] - [ 0.0001660500000000, -0.0000663900000000, -0.0007836500000000 ] - [ -0.0000876600000000, 0.0000780900000000, -0.0005071000000000 ] - [ -0.0043772200000000, 0.0007759100000000, -0.0010922700000000 ] - [ -0.0020512900000000, 0.0004219300000000, 0.0012847300000000 ] - [ -0.0481246500000000, -0.0833543400000000, 0.1254668200000000 ] - [ 0.0013910500000000, -0.0015655000000000, 0.0012847300000000 ] - [ -0.0000023100000000, -0.0000039900000000, -0.0004162100000000 ] - [ 0.0000080800000000, 0.0000139900000000, 0.0013198800000000 ] - [ 0.0008746300000000, 0.0015149000000000, -0.0017419000000000 ] - [ -0.0001811000000000, -0.0004830800000000, -0.0010875900000000 ] - [ -0.0003563000000000, 0.0005266100000000, 0.0015930300000000 ] - [ 0.0028605600000000, -0.0034028300000000, -0.0010922700000000 ] - [ -0.0003278100000000, -0.0003983800000000, -0.0010875900000000 ] - [ -0.0001405200000000, 0.0001106100000000, -0.0007836500000000 ] - [ -0.0000230100000000, -0.0000398500000000, -0.0008395700000000 ] - [ 0.0006342100000000, -0.0000452600000000, 0.0015930300000000 ] - [ 0.0001114500000000, -0.0000368700000000, -0.0005071000000000 ] - [ 0.0001871300000000, -0.0000675300000000, -0.0015215000000000 ] - [ -0.0001520500000000, 0.0001282900000000, -0.0015215000000000 ] - [ 0.0009238600000000, 0.0016001700000000, -0.0000219100000000 ] - [ -0.0001288100000000, -0.0002231000000000, -0.0027832700000000 ] - [ 0.0001267400000000, -0.0000034900000000, 0.0001758900000000 ] - [ -0.0000663900000000, 0.0001080200000000, 0.0001758900000000 ] - [ -0.0000449400000000, -0.0000778300000000, 0.0004651900000000 ] - [ -0.0005366700000000, -0.0010127900000000, 0.0001218100000000 ] - [ 0.0001967400000000, -0.0000256000000000, 0.0004643500000000 ] - [ 0.0004889000000000, -0.0000165200000000, 0.0005779700000000 ] - [ -0.0000251600000000, 0.0000094700000000, 0.0013196900000000 ] - [ 0.0012849600000000, 0.0001517400000000, -0.0003960400000000 ] - [ 0.0642580200000000, 0.1112981500000000, -0.1265736500000000 ] - [ -0.0002829100000000, -0.0000987100000000, -0.0006740900000000 ] - [ 0.0000905900000000, -0.0000132600000000, -0.0007784000000000 ] - [ -0.0001711000000000, -0.0002963500000000, -0.0001385800000000 ] - [ 0.0000337300000000, 0.0000945800000000, 0.0008416600000000 ] - [ -0.0002510400000000, 0.0002246000000000, 0.0005723200000000 ] - [ 0.0006517600000000, -0.0000139800000000, 0.0007188100000000 ] - [ -0.0017815200000000, 0.0008511700000000, -0.0007312300000000 ] - [ -0.0031417200000000, 0.0013390900000000, 0.0011767300000000 ] - [ -0.0000054100000000, -0.0000093700000000, 0.0006521100000000 ] - [ 0.0027305500000000, -0.0020512700000000, 0.0011767300000000 ] - [ 0.0014610600000000, 0.0007812900000000, -0.0008231200000000 ] - [ -0.0006087700000000, -0.0009711700000000, 0.0001218100000000 ] - [ 0.0001998400000000, 0.0003195000000000, 0.0000402700000000 ] - [ 0.0004457300000000, 0.0001180600000000, 0.0005749300000000 ] - [ -0.0000479700000000, -0.0001029400000000, -0.0003637600000000 ] - [ -0.0207998700000000, -0.0360264400000000, 0.0250177100000000 ] - [ -0.0000567800000000, 0.0000718200000000, -0.0007784000000000 ] - [ 0.0000650400000000, 0.0000765000000000, 0.0008416600000000 ] - [ 0.0000555500000000, -0.0001202000000000, 0.0000154700000000 ] - [ -0.0001445200000000, 0.0000819400000000, 0.0006181600000000 ] - [ -0.0004600000000000, 0.0005993600000000, 0.0007934900000000 ] - [ -0.0001206200000000, 0.0004450400000000, 0.0005749300000000 ] - [ -0.0002744100000000, 0.0004483500000000, -0.0006958400000000 ] - [ -0.0001318700000000, -0.0000119900000000, 0.0000154700000000 ] - [ -0.0003107300000000, -0.0005381900000000, -0.0001710600000000 ] - [ -0.0000607300000000, 0.0000833700000000, 0.0000881500000000 ] - [ 0.0013642700000000, -0.0010727400000000, -0.0007102300000000 ] - [ 0.0002420400000000, 0.0001414900000000, 0.0002453100000000 ] - [ 0.0001767700000000, 0.0003328200000000, 0.0000402700000000 ] - [ -0.0006582700000000, -0.0000695500000000, -0.0010312100000000 ] - [ -0.0001773000000000, -0.0003070900000000, 0.0006284300000000 ] - [ 0.0000551400000000, 0.0000080300000000, 0.0002130500000000 ] - [ 0.0000559700000000, -0.0002943600000000, -0.0006740900000000 ] - [ 0.0000610700000000, -0.0000049900000000, 0.0005685900000000 ] - [ -0.0016111500000000, 0.0006451200000000, -0.0007102300000000 ] - [ -0.0002587600000000, 0.0004151400000000, 0.0005779700000000 ] - [ -0.0001974500000000, 0.0002102400000000, 0.0015219900000000 ] - [ 0.0000086500000000, -0.0006345200000000, 0.0002441700000000 ] - [ 0.0002689100000000, -0.0006048500000000, -0.0010312100000000 ] - [ -0.0000315100000000, -0.0001305000000000, 0.0004834200000000 ] - [ -0.0003379900000000, 0.0005574500000000, 0.0007188100000000 ] - [ -0.0001549100000000, 0.0001031500000000, -0.0012477100000000 ] - [ 0.0000207900000000, -0.0000170500000000, 0.0013196900000000 ] - [ 0.0001667900000000, -0.0000825800000000, -0.0012477100000000 ] - [ -0.0000379600000000, 0.0000193200000000, 0.0005411400000000 ] - [ 0.0046869400000000, 0.0026204800000000, -0.0170513600000000 ] - [ 0.0001025600000000, -0.0000109100000000, 0.0000881500000000 ] - [ 0.0000357100000000, -0.0000232200000000, 0.0005411400000000 ] - [ 0.0007490600000000, -0.0000986900000000, 0.0007934900000000 ] - [ 0.0000047800000000, 0.0000082800000000, 0.0001035500000000 ] - [ -0.0003103600000000, -0.0005375700000000, 0.0007461500000000 ] - [ -0.0000651600000000, -0.0000930100000000, -0.0003637600000000 ] - [ 0.0002808000000000, -0.0000658800000000, 0.0015219900000000 ] - [ -0.0001438200000000, -0.0004382100000000, 0.0005500800000000 ] - [ 0.0001636500000000, 0.0002834600000000, -0.0005584600000000 ] - [ -0.0004545800000000, -0.0007873500000000, 0.0009267800000000 ] - [ -0.0000113100000000, -0.0000195900000000, 0.0012720700000000 ] - [ 0.0001432200000000, -0.0000841900000000, 0.0006181600000000 ] - [ 0.0001377800000000, 0.0002386400000000, 0.0009558600000000 ] - [ 0.0005254900000000, -0.0000134700000000, -0.0006958400000000 ] - [ 0.0000746300000000, -0.0002258500000000, -0.0007421100000000 ] - [ -0.0000539100000000, 0.0016559700000000, -0.0008231200000000 ] - [ 0.0000015200000000, 0.0002803600000000, 0.0002453100000000 ] - [ -0.0005110700000000, 0.0011886800000000, -0.0003960400000000 ] - [ -0.0002329100000000, -0.0000483000000000, -0.0007421100000000 ] - [ -0.0000740700000000, 0.0053692500000000, -0.0170513600000000 ] - [ 0.0016279000000000, -0.0011172600000000, -0.0007312300000000 ] - [ -0.0000348600000000, 0.0000503900000000, 0.0005685900000000 ] - [ 0.0003200300000000, -0.0001051000000000, 0.0005723200000000 ] - [ 0.0001184700000000, -0.0001249000000000, 0.0006486200000000 ] - [ -0.0001777400000000, -0.0003078600000000, 0.0012530800000000 ] - [ -0.0000934900000000, -0.0001619400000000, -0.0012010800000000 ] - [ -0.0005538400000000, -0.0003097600000000, 0.0002441700000000 ] - [ -0.0001205400000000, 0.0001575800000000, 0.0004643500000000 ] - [ -0.0001674000000000, 0.0000401500000000, 0.0006486200000000 ] - [ -0.0003075900000000, -0.0003436600000000, 0.0005500800000000 ] - [ -0.0000206200000000, 0.0000517700000000, 0.0002130500000000 ] - [ -0.0000972600000000, -0.0000925400000000, 0.0004834200000000 ] - [ -0.0003255100000000, -0.0000049200000000, -0.0006625000000000 ] - [ -0.0000480900000000, -0.0000832900000000, 0.0005951000000000 ] - [ -0.0000807000000000, -0.0001500600000000, 0.0000498100000000 ] - [ -0.0002367100000000, -0.0000470500000000, 0.0004410200000000 ] - [ -0.0004258100000000, -0.0000047200000000, 0.0002215700000000 ] - [ 0.0010087500000000, 0.0017472100000000, 0.0034497500000000 ] - [ 0.0002088200000000, -0.0003711300000000, 0.0002215700000000 ] - [ 0.0001888500000000, 0.0003270900000000, 0.0009000900000000 ] - [ 0.0014084600000000, 0.0024395200000000, -0.0009680400000000 ] - [ -0.0015089400000000, -0.0026135600000000, -0.0005095200000000 ] - [ 0.0001585000000000, -0.0002843600000000, -0.0006625000000000 ] - [ 0.0002194400000000, 0.0003800800000000, 0.0003020900000000 ] - [ 0.0002717200000000, -0.0000666700000000, -0.0009932600000000 ] - [ 0.0000776100000000, -0.0002285200000000, 0.0004410200000000 ] - [ -0.0001935900000000, 0.0002019800000000, -0.0009932600000000 ] - [ 0.0001169700000000, -0.0000072900000000, 0.0004171700000000 ] - [ -0.0000896000000000, -0.0001449100000000, 0.0000498100000000 ] - [ -0.0000648000000000, 0.0000976600000000, 0.0004171700000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000422200000000, 0.0003460500000000, 0.0007237500000000 ] - [ -0.0003649000000000, -0.0000380700000000, 0.0005464000000000 ] - [ -0.0000246600000000, 0.0000350500000000, 0.0004796500000000 ] - [ 0.0003163500000000, -0.0003153700000000, 0.0004680200000000 ] - [ -0.0001705700000000, 0.0000967500000000, -0.0000935000000000 ] - [ 0.0000700800000000, -0.0003086600000000, -0.0002806100000000 ] - [ 0.0019928600000000, 0.0011405500000000, -0.0002178300000000 ] - [ 0.0001654400000000, 0.0002865400000000, 0.0001824900000000 ] - [ -0.0000577700000000, 0.0001052200000000, 0.0004155400000000 ] - [ -0.0001889800000000, -0.0006253200000000, -0.0000850300000000 ] - [ 0.0000180500000000, 0.0001280400000000, 0.0003238900000000 ] - [ -0.0000435300000000, -0.0004377700000000, 0.0002248400000000 ] - [ 0.0001226800000000, -0.0000284900000000, -0.0014772300000000 ] - [ 0.0000314600000000, -0.0000709600000000, 0.0005994100000000 ] - [ -0.0001189400000000, 0.0002017500000000, 0.0007696400000000 ] - [ -0.0000675300000000, -0.0001169700000000, 0.0004328600000000 ] - [ 0.0001494800000000, -0.0003350500000000, 0.0005464000000000 ] - [ 0.0001018600000000, 0.0000796500000000, 0.0003238900000000 ] - [ -0.0001251100000000, 0.0005151700000000, -0.0001321800000000 ] - [ -0.0000095800000000, 0.0001374600000000, -0.0010577100000000 ] - [ -0.0004470500000000, -0.0004763200000000, -0.0000850300000000 ] - [ 0.0005087100000000, 0.0001492300000000, -0.0001321800000000 ] - [ 0.0000161300000000, -0.0002301600000000, 0.0005652500000000 ] - [ 0.0000426800000000, -0.0000038400000000, 0.0004796500000000 ] - [ 0.0003802700000000, -0.0000961700000000, 0.0000746900000000 ] - [ -0.0000860100000000, 0.0000920000000000, -0.0014772300000000 ] - [ -0.0005645200000000, -0.0000578600000000, -0.0008805100000000 ] - [ -0.0000771900000000, -0.0000082300000000, 0.0005994100000000 ] - [ 0.0003208000000000, 0.0001364600000000, 0.0007237500000000 ] - [ 0.0000058500000000, 0.0001240700000000, 0.0006978800000000 ] - [ 0.0003904500000000, 0.0000198000000000, -0.0002364300000000 ] - [ 0.0001690700000000, -0.0000993500000000, -0.0000935000000000 ] - [ 0.0001045300000000, 0.0000671000000000, 0.0006978800000000 ] - [ -0.0000245900000000, -0.0000680900000000, 0.0006563300000000 ] - [ 0.0003759100000000, 0.0000217600000000, 0.0001492600000000 ] - [ -0.0004312900000000, 0.0001162800000000, 0.0004680200000000 ] - [ -0.0001780800000000, 0.0003480400000000, -0.0002364300000000 ] - [ -0.0001691100000000, 0.0003364200000000, 0.0001492600000000 ] - [ -0.0007930200000000, -0.0013735600000000, -0.0012538300000000 ] - [ -0.0000445000000000, -0.0000770800000000, 0.0006031800000000 ] - [ 0.0001238300000000, 0.0000604400000000, -0.0010577100000000 ] - [ 0.0001071300000000, 0.0002487700000000, 0.0005072500000000 ] - [ -0.0002188200000000, -0.0003790100000000, -0.0012325800000000 ] - [ -0.0000086900000000, 0.0022961400000000, -0.0002178300000000 ] - [ -0.0002646400000000, -0.0002862200000000, -0.0001595900000000 ] - [ 0.0001870100000000, -0.0001248300000000, 0.0005617600000000 ] - [ -0.0020436600000000, -0.0003249100000000, -0.0033792100000000 ] - [ -0.0001155500000000, -0.0003723000000000, -0.0001595900000000 ] - [ 0.0016891000000000, -0.0026415200000000, 0.0006497700000000 ] - [ 0.0002321500000000, -0.0005178200000000, -0.0008805100000000 ] - [ -0.0000466700000000, -0.0000553400000000, 0.0006563300000000 ] - [ -0.0002016100000000, 0.0000995400000000, 0.0005617600000000 ] - [ 0.0001618800000000, 0.0002171600000000, 0.0005072500000000 ] - [ 0.0002341900000000, -0.0000021300000000, 0.0007696400000000 ] - [ -0.0000854400000000, -0.0001479800000000, 0.0006370100000000 ] - [ -0.0031321700000000, 0.0001420400000000, 0.0006497700000000 ] - [ -0.0003023500000000, -0.0000936400000000, -0.0002806100000000 ] - [ -0.0002073900000000, -0.0001011100000000, 0.0005652500000000 ] - [ 0.0015423500000000, 0.0026714400000000, 0.0031210900000000 ] - [ -0.0002734300000000, 0.0002812400000000, 0.0000746900000000 ] - [ 0.0007404600000000, -0.0019323200000000, -0.0033792100000000 ] - [ -0.0003573600000000, -0.0002565800000000, 0.0002248400000000 ] - [ 0.0001200100000000, 0.0000025800000000, 0.0004155400000000 ] - [ -0.0001147100000000, -0.0000253600000000, 0.0013703500000000 ] - [ 0.0000201000000000, 0.0000357500000000, 0.0007383200000000 ] - [ 0.0043457800000000, -0.0007805900000000, 0.0012536400000000 ] - [ 0.0020562400000000, -0.0004262200000000, -0.0022877900000000 ] - [ 0.0495473400000000, 0.0858185100000000, -0.1254044000000000 ] - [ -0.0013972400000000, 0.0015676500000000, -0.0022877900000000 ] - [ 0.0000029000000000, 0.0000050200000000, 0.0013167600000000 ] - [ -0.0000007200000000, -0.0000012500000000, -0.0019690900000000 ] - [ -0.0006302800000000, -0.0010916800000000, 0.0012728800000000 ] - [ -0.0002860400000000, 0.0004789300000000, 0.0006194500000000 ] - [ -0.0002119000000000, -0.0005171600000000, -0.0016990800000000 ] - [ -0.0028489000000000, 0.0033732700000000, 0.0012536400000000 ] - [ 0.0005577800000000, -0.0000082600000000, 0.0006194500000000 ] - [ 0.0000354000000000, -0.0001120200000000, 0.0013703500000000 ] - [ 0.0000804400000000, 0.0001393300000000, 0.0014314600000000 ] - [ -0.0003419300000000, -0.0004420900000000, -0.0016990800000000 ] - [ 0.0000209100000000, 0.0000352800000000, 0.0007383200000000 ] - [ -0.0001693300000000, 0.0000579100000000, 0.0009278400000000 ] - [ 0.0001348100000000, -0.0001176900000000, 0.0009278400000000 ] - [ -0.0009209500000000, -0.0015951400000000, 0.0007098100000000 ] - [ 0.0000626600000000, 0.0001085200000000, 0.0030283600000000 ] - [ -0.0001287000000000, -0.0000002900000000, -0.0004145700000000 ] - [ 0.0000641000000000, -0.0001116000000000, -0.0004145700000000 ] - [ 0.0000475000000000, 0.0000822700000000, -0.0001366800000000 ] - [ 0.0006580200000000, 0.0008071800000000, 0.0001517500000000 ] - [ 0.0002316200000000, 0.0002013400000000, 0.0001015300000000 ] - [ 0.0001420200000000, 0.0000120200000000, -0.0001653200000000 ] - [ 0.0000238500000000, -0.0000104400000000, -0.0002679100000000 ] - [ -0.0010758100000000, 0.0001311800000000, -0.0002630700000000 ] - [ -0.0654377800000000, -0.1133415500000000, 0.1265431700000000 ] - [ -0.0000108200000000, 0.0001039000000000, 0.0005763000000000 ] - [ 0.0001695800000000, 0.0001561400000000, 0.0002747600000000 ] - [ 0.0001692000000000, 0.0002930700000000, -0.0006605000000000 ] - [ 0.0000510100000000, -0.0000981200000000, -0.0003902500000000 ] - [ -0.0002504100000000, 0.0001684800000000, -0.0002114000000000 ] - [ 0.0004613600000000, 0.0000188000000000, 0.0000739700000000 ] - [ 0.0001182600000000, -0.0009058100000000, -0.0002217100000000 ] - [ 0.0033143900000000, -0.0016055700000000, -0.0018189300000000 ] - [ -0.0000883700000000, -0.0001530700000000, -0.0008497400000000 ] - [ -0.0030476600000000, 0.0020675600000000, -0.0018189300000000 ] - [ -0.0005904900000000, 0.0006323700000000, -0.0001293700000000 ] - [ 0.0003700300000000, 0.0009734500000000, 0.0001517500000000 ] - [ 0.0000784500000000, 0.0001332100000000, -0.0002861100000000 ] - [ 0.0001190500000000, 0.0001208700000000, -0.0002135400000000 ] - [ -0.0000747000000000, 0.0003091300000000, 0.0003646500000000 ] - [ 0.0211413100000000, 0.0366178300000000, -0.0262625900000000 ] - [ 0.0000504300000000, 0.0002249300000000, 0.0002747600000000 ] - [ -0.0001104800000000, -0.0000048900000000, -0.0003902500000000 ] - [ 0.0001725700000000, -0.0002670500000000, -0.0003337700000000 ] - [ 0.0000500500000000, 0.0000678900000000, -0.0008150700000000 ] - [ 0.0004588000000000, -0.0005902800000000, -0.0008180200000000 ] - [ 0.0000451500000000, 0.0001635400000000, -0.0002135400000000 ] - [ 0.0002713300000000, -0.0004478400000000, 0.0023414300000000 ] - [ -0.0003175500000000, 0.0000159200000000, -0.0003337700000000 ] - [ 0.0004264300000000, 0.0007386000000000, 0.0004369100000000 ] - [ -0.0001548300000000, -0.0000913400000000, -0.0004189500000000 ] - [ -0.0012173200000000, 0.0007627200000000, 0.0000560100000000 ] - [ -0.0007695900000000, -0.0001305800000000, -0.0004892800000000 ] - [ 0.0000761400000000, 0.0001345500000000, -0.0002861100000000 ] - [ 0.0003992800000000, 0.0002304900000000, 0.0005230700000000 ] - [ -0.0001404200000000, -0.0002432200000000, -0.0002136500000000 ] - [ 0.0000745600000000, -0.0000020100000000, -0.0007208500000000 ] - [ 0.0000953900000000, 0.0000425900000000, 0.0005763000000000 ] - [ -0.0001405200000000, -0.0001445300000000, -0.0002603500000000 ] - [ 0.0012692000000000, -0.0006728600000000, 0.0000560100000000 ] - [ -0.0000606000000000, 0.0001290100000000, -0.0001653200000000 ] - [ -0.0001742700000000, 0.0000691200000000, -0.0009610500000000 ] - [ 0.0002503200000000, 0.0001428600000000, -0.0004893900000000 ] - [ -0.0000000300000000, 0.0004610300000000, 0.0005230700000000 ] - [ -0.0003209300000000, -0.0001440900000000, 0.0000799300000000 ] - [ -0.0002143900000000, 0.0004089500000000, 0.0000739700000000 ] - [ 0.0000230700000000, 0.0001356100000000, 0.0008772200000000 ] - [ -0.0000209600000000, 0.0000154300000000, -0.0002679100000000 ] - [ 0.0001059100000000, 0.0000877900000000, 0.0008772200000000 ] - [ -0.0000510200000000, 0.0001395800000000, -0.0002372000000000 ] - [ -0.0050896700000000, -0.0029518500000000, 0.0166355100000000 ] - [ -0.0000016800000000, -0.0001797600000000, -0.0004189500000000 ] - [ 0.0001463900000000, 0.0000256000000000, -0.0002372000000000 ] - [ -0.0007406000000000, 0.0001021900000000, -0.0008180200000000 ] - [ -0.0000029200000000, -0.0000050500000000, -0.0009938700000000 ] - [ -0.0002439500000000, -0.0004225300000000, 0.0000467800000000 ] - [ 0.0003050700000000, 0.0000898700000000, 0.0003646500000000 ] - [ 0.0001470000000000, -0.0001163600000000, -0.0009610500000000 ] - [ 0.0000672000000000, -0.0001831900000000, -0.0001889200000000 ] - [ -0.0002869900000000, -0.0004970700000000, 0.0005541800000000 ] - [ 0.0005541300000000, 0.0009597800000000, -0.0012494400000000 ] - [ -0.0000484600000000, -0.0000839400000000, -0.0017849800000000 ] - [ 0.0000337700000000, 0.0000772900000000, -0.0008150700000000 ] - [ 0.0000875700000000, 0.0001516700000000, -0.0012785000000000 ] - [ -0.0005235100000000, 0.0000110600000000, 0.0023414300000000 ] - [ 0.0007955100000000, -0.0011951700000000, -0.0002108100000000 ] - [ 0.0008429000000000, -0.0001951900000000, -0.0001293700000000 ] - [ 0.0002717100000000, -0.0007317700000000, -0.0004892800000000 ] - [ 0.0006515100000000, -0.0008660900000000, -0.0002630700000000 ] - [ -0.0014328100000000, 0.0000913500000000, -0.0002108100000000 ] - [ -0.0000115400000000, -0.0058837100000000, 0.0166355100000000 ] - [ -0.0008435800000000, -0.0003504900000000, -0.0002217100000000 ] - [ -0.0000549100000000, -0.0001939600000000, -0.0002603500000000 ] - [ 0.0002711100000000, -0.0001326200000000, -0.0002114000000000 ] - [ -0.0002021900000000, 0.0002613600000000, -0.0003379800000000 ] - [ 0.0001308600000000, 0.0002266500000000, -0.0007958200000000 ] - [ 0.0000848300000000, 0.0001469300000000, 0.0010955000000000 ] - [ -0.0000014500000000, 0.0002882200000000, -0.0004893900000000 ] - [ 0.0000585600000000, 0.0003012600000000, 0.0001015300000000 ] - [ 0.0003274400000000, -0.0000444300000000, -0.0003379800000000 ] - [ -0.0001922500000000, -0.0000334000000000, -0.0001889200000000 ] - [ -0.0000390200000000, 0.0000635700000000, -0.0007208500000000 ] - [ 0.0000356800000000, -0.0003499800000000, 0.0000799300000000 ] - [ 0.0003541100000000, -0.0000769300000000, 0.0006278000000000 ] - [ -0.0000657500000000, -0.0001138900000000, -0.0004253600000000 ] - [ 0.0000783400000000, 0.0001277900000000, 0.0001112300000000 ] - [ -0.0002282400000000, 0.0000523000000000, -0.0001099600000000 ] - [ 0.0004528800000000, -0.0000401600000000, -0.0001537800000000 ] - [ -0.0009970300000000, -0.0017269100000000, -0.0032469300000000 ] - [ -0.0002612200000000, 0.0003721300000000, -0.0001537800000000 ] - [ 0.0000485500000000, 0.0000840900000000, -0.0005664200000000 ] - [ -0.0013725500000000, -0.0023773300000000, 0.0009162000000000 ] - [ 0.0015105900000000, 0.0026164100000000, -0.0002003400000000 ] - [ -0.0002436800000000, 0.0002682000000000, 0.0006278000000000 ] - [ -0.0001956800000000, -0.0003389300000000, -0.0002386600000000 ] - [ -0.0002733200000000, 0.0000639400000000, 0.0002624400000000 ] - [ 0.0001594100000000, -0.0001715100000000, -0.0001099600000000 ] - [ 0.0001920300000000, -0.0002047300000000, 0.0002624400000000 ] - [ 0.0001177500000000, 0.0000099100000000, -0.0002488800000000 ] - [ 0.0000715000000000, 0.0001317400000000, 0.0001112300000000 ] - [ -0.0000502900000000, 0.0001069300000000, -0.0002488800000000 ]- atom: 95 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000237400000000, 0.0001728600000000, 0.0002715500000000 ] - [ 0.0000778300000000, 0.0000907300000000, -0.0001028500000000 ] - [ -0.0000524700000000, 0.0000802400000000, 0.0001868700000000 ] - [ -0.0001229200000000, -0.0000586200000000, 0.0003702100000000 ] - [ -0.0003093100000000, 0.0003783900000000, 0.0000619100000000 ] - [ -0.0008957700000000, -0.0003637600000000, -0.0002646000000000 ] - [ -0.0005439000000000, -0.0006952700000000, 0.0004867900000000 ] - [ -0.0003967100000000, -0.0003289400000000, 0.0001135200000000 ] - [ -0.0000376800000000, 0.0000702600000000, 0.0001469000000000 ] - [ 0.0009972900000000, 0.0008892300000000, 0.0000758100000000 ] - [ -0.0001374700000000, 0.0000726200000000, 0.0003803800000000 ] - [ 0.0000859100000000, -0.0002285900000000, -0.0002899600000000 ] - [ -0.0030065700000000, 0.0022472700000000, -0.0002737000000000 ] - [ -0.0000442000000000, -0.0000962500000000, 0.0002830200000000 ] - [ 0.0000756300000000, 0.0000052100000000, -0.0001852700000000 ] - [ 0.0001534600000000, 0.0000228800000000, 0.0000977700000000 ] - [ -0.0001425200000000, 0.0000178000000000, 0.0001192500000000 ] - [ 0.0003061400000000, 0.0001598400000000, 0.0001251300000000 ] - [ 0.0012917400000000, -0.0006074900000000, 0.0003468000000000 ] - [ -0.0029351000000000, -0.0024369300000000, -0.0002252900000000 ] - [ 0.0002560400000000, 0.0004573900000000, -0.0000241800000000 ] - [ 0.0002289300000000, 0.0003945000000000, -0.0000277100000000 ] - [ 0.0000477800000000, -0.0002001000000000, 0.0002715300000000 ] - [ 0.0001450300000000, 0.0000196700000000, 0.0002404600000000 ] - [ -0.0009520600000000, 0.0001489400000000, 0.0023318900000000 ] - [ -0.0006634200000000, -0.0015960500000000, -0.0003876900000000 ] - [ 0.0048472000000000, 0.0004409700000000, 0.0002750000000000 ] - [ 0.0000051900000000, 0.0000106000000000, 0.0003642000000000 ] - [ 0.0001412900000000, 0.0001325500000000, 0.0002686900000000 ] - [ -0.0000577800000000, 0.0000962900000000, 0.0002833600000000 ] - [ -0.0003906900000000, 0.0000988800000000, -0.0031693400000000 ] - [ 0.0005872900000000, 0.0001392200000000, 0.0002682300000000 ] - [ 0.0000080700000000, 0.0000022700000000, 0.0003541800000000 ] - [ 0.0000636400000000, -0.0000150300000000, 0.0003137900000000 ] - [ 0.0000874200000000, -0.0000911400000000, -0.0001720800000000 ] - [ -0.0001821300000000, -0.0002350200000000, 0.0001037900000000 ] - [ 0.0001708600000000, -0.0003577400000000, 0.0003407600000000 ] - [ 0.0001980900000000, 0.0002820200000000, -0.0002306600000000 ] - [ -0.0002195000000000, -0.0003429300000000, 0.0000024800000000 ] - [ -0.0000720700000000, -0.0001137900000000, 0.0001132000000000 ] - [ 0.0035105400000000, -0.0031102000000000, -0.0004879800000000 ] - [ 0.0001824500000000, -0.0002243500000000, 0.0002940100000000 ] - [ 0.0000324300000000, 0.0016395200000000, -0.0005294600000000 ] - [ -0.0009408500000000, 0.0003777600000000, -0.0002030400000000 ] - [ 0.0019240500000000, 0.0003915300000000, -0.0025282300000000 ] - [ 0.0001429200000000, -0.0001455100000000, 0.0002720300000000 ] - [ -0.0002434500000000, 0.0004735700000000, -0.0004398800000000 ] - [ -0.0007864600000000, -0.0002852900000000, 0.0002838600000000 ] - [ -0.0008294600000000, 0.0003232600000000, 0.0002406600000000 ] - [ -0.0013949100000000, 0.0001294800000000, -0.0003599600000000 ] - [ -0.0000253000000000, 0.0000454700000000, 0.0003176900000000 ] - [ -0.0001824600000000, 0.0001234100000000, 0.0003200300000000 ] - [ -0.0001426400000000, 0.0001093100000000, 0.0002280500000000 ] - [ -0.0001901000000000, -0.0000142300000000, -0.0001125300000000 ] - [ -0.0000703300000000, -0.0000745300000000, 0.0001809100000000 ] - [ -0.0004329900000000, -0.0006350200000000, -0.0006113300000000 ] - [ 0.0025911700000000, -0.0003546400000000, 0.0017641800000000 ] - [ -0.0002028900000000, -0.0001144700000000, 0.0003221900000000 ] - [ -0.0001175500000000, -0.0002570800000000, 0.0002397400000000 ] - [ 0.0002135200000000, -0.0003623100000000, -0.0001837000000000 ] - [ 0.0006921400000000, -0.0006346700000000, -0.0005380400000000 ] - [ -0.0000491100000000, -0.0000953900000000, -0.0001256700000000 ] - [ 0.0001739300000000, 0.0000108900000000, 0.0000687900000000 ] - [ 0.0000826400000000, -0.0000452600000000, 0.0003889400000000 ] - [ -0.0001313000000000, -0.0000348300000000, 0.0001745900000000 ] - [ 0.0006690600000000, -0.0029842800000000, -0.0007621200000000 ] - [ 0.0010075900000000, 0.0013319700000000, 0.0012744500000000 ] - [ -0.0026607200000000, 0.0004369300000000, -0.0005730700000000 ] - [ -0.0004073600000000, -0.0021869000000000, 0.0005180500000000 ] - [ -0.0000376000000000, 0.0000432500000000, 0.0010210200000000 ] - [ -0.0036537200000000, 0.0008042000000000, 0.0033310200000000 ] - [ 0.0002828700000000, 0.0004988700000000, -0.0000461200000000 ] - [ -0.0008599300000000, 0.0000269100000000, -0.0004689900000000 ] - [ 0.1521900600000000, 0.1131790600000000, -0.0437101300000000 ] - [ 0.0013726200000000, 0.0020957500000000, -0.0008744900000000 ] - [ 0.0002332400000000, -0.0007931200000000, 0.0004972000000000 ] - [ -0.0001629800000000, 0.0000048900000000, 0.0005410400000000 ] - [ 0.0000815700000000, 0.0000407900000000, 0.0005046400000000 ] - [ -0.0001874300000000, -0.0015605000000000, -0.0003650300000000 ] - [ 0.0007049100000000, 0.0004927800000000, 0.0010115700000000 ] - [ 0.0000683800000000, 0.0000533200000000, -0.0001643200000000 ] - [ -0.0000246600000000, -0.0001098000000000, -0.0001654300000000 ] - [ -0.0023484800000000, 0.0034451800000000, -0.0015149800000000 ] - [ -0.0005017600000000, -0.0001765500000000, 0.0001324200000000 ] - [ -0.0000061500000000, -0.0000519500000000, -0.0002104500000000 ] - [ 0.0000250800000000, 0.0000724000000000, -0.0002177100000000 ] - [ -0.0000175000000000, -0.0000123500000000, 0.0002101900000000 ] - [ 0.0021552500000000, -0.0018415600000000, 0.0025844800000000 ] - [ 0.0003566200000000, 0.0001408700000000, 0.0002234500000000 ] - [ 0.0003441300000000, -0.0000040600000000, 0.0001418000000000 ] - [ -0.0000105300000000, -0.0000144700000000, 0.0004243000000000 ] - [ 0.0004354800000000, 0.0015852900000000, -0.0005387500000000 ] - [ 0.0007983400000000, 0.0004741100000000, -0.0000849600000000 ] - [ 0.0314155200000000, 0.0389339900000000, -0.0048906400000000 ] - [ -0.1712828000000000, -0.1532733700000000, 0.0581441800000000 ] - [ 0.0003572000000000, -0.0006636100000000, 0.0007666200000000 ] - [ 0.0001588600000000, -0.0000073800000000, 0.0003290500000000 ] - [ -0.0001887100000000, 0.0001434700000000, 0.0001079300000000 ] - [ 0.0004767600000000, -0.0000167700000000, 0.0002473000000000 ] - [ -0.0007802200000000, 0.0005757000000000, -0.0007043900000000 ] - [ -0.0000682100000000, -0.0007478700000000, -0.0002901200000000 ] - [ -0.0000790200000000, -0.0000714700000000, -0.0002373300000000 ] - [ -0.0004078300000000, 0.0006154900000000, -0.0001343000000000 ] - [ 0.0003279200000000, -0.0001051500000000, -0.0009183600000000 ] - [ 0.0011924400000000, -0.0005771300000000, 0.0001882400000000 ] - [ 0.0004053400000000, 0.0002804000000000, -0.0000779600000000 ] - [ 0.0002247300000000, 0.0001063700000000, 0.0001127000000000 ] - [ 0.0012133600000000, -0.0012469500000000, -0.0010174900000000 ] - [ 0.0005575600000000, -0.0000762700000000, 0.0001661100000000 ] - [ 0.0007539600000000, 0.0008623300000000, -0.0002258800000000 ] - [ -0.0000343700000000, 0.0001299800000000, -0.0001731600000000 ] - [ 0.0001065900000000, -0.0001420800000000, -0.0001635000000000 ] - [ -0.0000804300000000, 0.0000737800000000, -0.0001278200000000 ] - [ -0.0003203700000000, -0.0003191300000000, 0.0004623800000000 ] - [ -0.0000593300000000, 0.0002961700000000, 0.0001097500000000 ] - [ 0.0000718500000000, 0.0011871200000000, 0.0002352300000000 ] - [ -0.0005499500000000, -0.0000902200000000, -0.0007295100000000 ] - [ 0.0000819600000000, -0.0008745800000000, 0.0006145100000000 ] - [ 0.0001970400000000, -0.0000141000000000, 0.0001606200000000 ] - [ -0.0000753900000000, 0.0018637800000000, 0.0008831400000000 ] - [ -0.0003328400000000, 0.0002105900000000, -0.0004728900000000 ] - [ 0.0000440200000000, 0.0005324700000000, -0.0006303800000000 ] - [ 0.0000699100000000, 0.0000911000000000, -0.0000808800000000 ] - [ -0.0001536000000000, -0.0002531000000000, 0.0001514200000000 ] - [ -0.0000498700000000, -0.0000904100000000, -0.0006725100000000 ] - [ -0.0002148500000000, 0.0007349000000000, 0.0000892000000000 ] - [ -0.0000486400000000, -0.0000360900000000, 0.0001493300000000 ] - [ -0.0012472300000000, -0.0007243000000000, 0.0000318900000000 ] - [ -0.0001711700000000, 0.0002799900000000, 0.0001729500000000 ] - [ 0.0000849900000000, 0.0002494100000000, 0.0004148600000000 ] - [ 0.0000028300000000, -0.0004304900000000, -0.0002416700000000 ] - [ -0.0163777700000000, -0.0119233300000000, 0.0001355000000000 ] - [ -0.0001510100000000, -0.0001946300000000, 0.0002864200000000 ] - [ -0.0002039400000000, 0.0003797500000000, 0.0002427700000000 ] - [ 0.0000183000000000, 0.0003719100000000, -0.0000014600000000 ] - [ 0.0000049600000000, 0.0000247500000000, 0.0004238100000000 ] - [ -0.0104312200000000, 0.0103419000000000, -0.0093183100000000 ] - [ -0.0000963900000000, 0.0000659200000000, 0.0001256400000000 ] - [ 0.0018797900000000, 0.0004294900000000, 0.0001333000000000 ] - [ -0.0000701700000000, 0.0001615800000000, -0.0003039400000000 ] - [ 0.0001294700000000, 0.0000487400000000, 0.0001198800000000 ] - [ -0.0001408600000000, 0.0005398000000000, 0.0004795700000000 ] - [ 0.0000509300000000, -0.0000284600000000, -0.0008924200000000 ] - [ -0.0002076900000000, -0.0004186700000000, 0.0002473200000000 ] - [ 0.0018624600000000, -0.0009449200000000, -0.0017067700000000 ] - [ 0.0004213400000000, -0.0001105900000000, 0.0002439400000000 ] - [ -0.0000731200000000, -0.0003250000000000, 0.0001314700000000 ] - [ 0.0010697400000000, 0.0005032900000000, -0.0008715400000000 ] - [ -0.0000202800000000, -0.0000399700000000, -0.0001427100000000 ] - [ 0.0000593300000000, -0.0000346400000000, -0.0002808300000000 ] - [ 0.0001534400000000, -0.0000066200000000, -0.0002825200000000 ] - [ 0.0002575600000000, 0.0003421300000000, -0.0002482400000000 ] - [ 0.0000369000000000, -0.0011520000000000, -0.0002439300000000 ] - [ 0.0005093100000000, 0.0003241800000000, -0.0008397000000000 ] - [ 0.0009785000000000, 0.0019938700000000, -0.0007508300000000 ] - [ 0.0004199100000000, -0.0003048100000000, -0.0000914000000000 ] - [ -0.0001911600000000, -0.0014907600000000, 0.0007245200000000 ] - [ -0.0018496300000000, -0.0002809200000000, -0.0007250700000000 ] - [ 0.0011389500000000, -0.0007088900000000, -0.0002247900000000 ] - [ 0.0004495100000000, -0.0013291300000000, -0.0009770600000000 ] - [ -0.0000966400000000, -0.0001240800000000, 0.0001065100000000 ] - [ 0.0002632000000000, -0.0001034600000000, 0.0001348100000000 ] - [ -0.0000538700000000, 0.0001522400000000, 0.0001063300000000 ] - [ -0.0000497100000000, -0.0000827500000000, 0.0001016700000000 ] - [ 0.0024733300000000, -0.0011144200000000, -0.0021971500000000 ] - [ -0.0003909500000000, -0.0001613900000000, -0.0002343400000000 ] - [ -0.0003890100000000, -0.0000856300000000, 0.0001508800000000 ] - [ 0.0000805000000000, -0.0000226700000000, 0.0001398000000000 ] - [ -0.0001906400000000, -0.0001411200000000, 0.0001083000000000 ] - [ -0.0000144500000000, 0.0000819100000000, -0.0003061700000000 ] - [ -0.0002340100000000, -0.0003288100000000, -0.0001630900000000 ] - [ 0.0007857900000000, 0.0037037300000000, 0.0021023400000000 ] - [ -0.0000303300000000, -0.0000861000000000, 0.0000417000000000 ] - [ 0.0001249800000000, -0.0000410600000000, 0.0000549300000000 ] - [ -0.0003754100000000, -0.0000424600000000, 0.0001486500000000 ] - [ -0.0001387400000000, 0.0001417900000000, 0.0005850800000000 ] - [ 0.0003225000000000, 0.0001484700000000, 0.0000170500000000 ] - [ 0.0003651600000000, -0.0000121700000000, -0.0003569700000000 ] - [ 0.0002105600000000, 0.0002295400000000, 0.0000987200000000 ] - [ -0.0002536100000000, 0.0000417500000000, 0.0001208800000000 ] - [ -0.0002141800000000, -0.0002986000000000, -0.0002411500000000 ] - [ 0.0023447100000000, -0.0001940200000000, -0.0011158000000000 ] - [ -0.0001774400000000, 0.0000050000000000, -0.0000301500000000 ] - [ 0.0019992600000000, -0.0001325400000000, 0.0005693500000000 ] - [ 0.0001505700000000, -0.0001929500000000, 0.0001109300000000 ] - [ 0.0012486800000000, 0.0043361700000000, -0.0028125500000000 ] - [ 0.0000812100000000, -0.0000096700000000, 0.0000076400000000 ] - [ -0.0013071200000000, -0.0002988400000000, 0.0006306700000000 ] - [ -0.0000482400000000, 0.0001011900000000, 0.0000407900000000 ]- atom: 95 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000276500000000, 0.0002465100000000, 0.0001583200000000 ] - [ -0.0001927300000000, 0.0001365400000000, 0.0004422600000000 ] - [ 0.0000007400000000, 0.0000239900000000, 0.0000893700000000 ] - [ 0.0001434400000000, -0.0002143700000000, -0.0001225500000000 ] - [ 0.0000596900000000, 0.0000668600000000, -0.0005080400000000 ] - [ 0.0006754600000000, -0.0000234800000000, 0.0002555400000000 ] - [ 0.0009987800000000, 0.0007044600000000, -0.0005005800000000 ] - [ 0.0001371400000000, -0.0001203500000000, -0.0005562600000000 ] - [ -0.0000884300000000, 0.0001713000000000, -0.0000302500000000 ] - [ -0.0012381300000000, -0.0004996400000000, -0.0000672200000000 ] - [ 0.0001548300000000, 0.0002150500000000, -0.0001385300000000 ] - [ -0.0002241600000000, -0.0002091200000000, 0.0000415200000000 ] - [ 0.0028077800000000, -0.0026370800000000, -0.0003094500000000 ] - [ 0.0000748600000000, -0.0000618400000000, 0.0002136100000000 ] - [ 0.0003578000000000, -0.0001120000000000, -0.0000724300000000 ] - [ -0.0002746700000000, -0.0002298700000000, 0.0002441700000000 ] - [ 0.0003974400000000, -0.0000025000000000, 0.0002198000000000 ] - [ -0.0000662100000000, -0.0000039300000000, 0.0001150100000000 ] - [ -0.0013372500000000, 0.0009120800000000, -0.0002468500000000 ] - [ 0.0027413700000000, 0.0028558300000000, -0.0003555800000000 ] - [ 0.0001950800000000, -0.0004687100000000, 0.0000138500000000 ] - [ 0.0000398000000000, -0.0002749400000000, 0.0001428600000000 ] - [ 0.0000058700000000, -0.0002326400000000, 0.0001552800000000 ] - [ -0.0000293500000000, -0.0000126000000000, 0.0000351300000000 ] - [ 0.0012511100000000, -0.0001423800000000, -0.0017421500000000 ] - [ 0.0004144900000000, 0.0012291700000000, -0.0001980600000000 ] - [ -0.0055069700000000, -0.0004334400000000, -0.0006836200000000 ] - [ -0.0001577700000000, -0.0000635800000000, 0.0001325100000000 ] - [ 0.0001960100000000, 0.0001216400000000, 0.0001610400000000 ] - [ 0.0000746300000000, 0.0000629800000000, 0.0002094700000000 ] - [ 0.0011452400000000, -0.0001057600000000, 0.0031964300000000 ] - [ -0.0000787500000000, -0.0001329100000000, -0.0007133700000000 ] - [ 0.0001215600000000, 0.0000918800000000, 0.0001387400000000 ] - [ 0.0000677200000000, -0.0000935200000000, 0.0001784000000000 ] - [ 0.0003511700000000, 0.0001950100000000, -0.0000866200000000 ] - [ -0.0000632700000000, 0.0001156100000000, 0.0001430200000000 ] - [ -0.0005574600000000, 0.0010013700000000, -0.0003013000000000 ] - [ -0.0003265000000000, 0.0001488400000000, -0.0000260600000000 ] - [ -0.0001571900000000, -0.0003080000000000, 0.0000363200000000 ] - [ -0.0000573200000000, -0.0001106300000000, 0.0000084500000000 ] - [ -0.0031008000000000, 0.0031692800000000, -0.0000921000000000 ] - [ 0.0000470600000000, 0.0000434700000000, -0.0000523200000000 ] - [ -0.0001662700000000, -0.0018478400000000, 0.0001856900000000 ] - [ 0.0007210000000000, 0.0000196800000000, 0.0001905000000000 ] - [ -0.0019809900000000, -0.0007055900000000, 0.0026348300000000 ] - [ 0.0001971700000000, -0.0001041800000000, 0.0001551900000000 ] - [ -0.0000439300000000, -0.0001083700000000, -0.0001434900000000 ] - [ 0.0005407800000000, 0.0001026200000000, -0.0001763200000000 ] - [ 0.0005967300000000, -0.0001443300000000, -0.0001255600000000 ] - [ 0.0016309000000000, -0.0001213800000000, 0.0000268900000000 ] - [ -0.0001344700000000, 0.0000144400000000, 0.0001744000000000 ] - [ -0.0002036400000000, 0.0000455100000000, 0.0001074200000000 ] - [ -0.0001303000000000, -0.0000017200000000, 0.0000147700000000 ] - [ -0.0001190500000000, 0.0003359200000000, -0.0001453700000000 ] - [ 0.0000054100000000, -0.0000378000000000, 0.0000883800000000 ] - [ 0.0007063700000000, 0.0005240800000000, 0.0007297400000000 ] - [ -0.0028252900000000, -0.0000395000000000, -0.0017812200000000 ] - [ -0.0001984500000000, -0.0000549300000000, 0.0001048300000000 ] - [ -0.0000210200000000, 0.0000188800000000, 0.0003454900000000 ] - [ -0.0003477000000000, 0.0006082900000000, 0.0007765000000000 ] - [ -0.0002265900000000, 0.0005950500000000, -0.0000439700000000 ] - [ -0.0002616400000000, -0.0002453700000000, -0.0001239400000000 ] - [ 0.0000987500000000, 0.0000007400000000, 0.0000472400000000 ] - [ -0.0000320500000000, -0.0000457900000000, 0.0002004400000000 ] - [ 0.0000620800000000, 0.0001466200000000, 0.0000615400000000 ] - [ -0.0006388900000000, 0.0029715300000000, 0.0009250300000000 ] - [ -0.0010029200000000, -0.0013367600000000, -0.0022682300000000 ] - [ 0.0029567900000000, 0.0000637800000000, 0.0004764400000000 ] - [ 0.0004215800000000, 0.0021973000000000, -0.0015061200000000 ] - [ 0.0000375700000000, -0.0000425400000000, -0.0001231700000000 ] - [ 0.0036601500000000, -0.0008118200000000, -0.0040435200000000 ] - [ -0.0000478200000000, -0.0000878300000000, -0.0004202400000000 ] - [ 0.0003963000000000, -0.0000270900000000, -0.0000080000000000 ] - [ -0.1515769600000000, -0.1087488000000000, 0.0419032300000000 ] - [ -0.0013711300000000, -0.0020880400000000, 0.0010417400000000 ] - [ -0.0000042100000000, 0.0003901500000000, -0.0009744300000000 ] - [ 0.0000597500000000, -0.0000056800000000, 0.0000471100000000 ] - [ -0.0000257900000000, 0.0000564700000000, 0.0000889900000000 ] - [ 0.0004622000000000, 0.0010644600000000, 0.0002679700000000 ] - [ -0.0005778300000000, -0.0004985000000000, -0.0007861700000000 ] - [ -0.0000527200000000, -0.0000627700000000, -0.0004289600000000 ] - [ 0.0000099900000000, 0.0001191300000000, -0.0004281400000000 ] - [ 0.0023585900000000, -0.0034754800000000, 0.0022303700000000 ] - [ 0.0004367800000000, 0.0000620400000000, 0.0001054200000000 ] - [ 0.0000043800000000, 0.0000483800000000, -0.0000279100000000 ] - [ -0.0000280600000000, -0.0000761800000000, -0.0000208600000000 ] - [ 0.0000199700000000, 0.0000164600000000, 0.0001176400000000 ] - [ -0.0020578600000000, 0.0016596200000000, -0.0023539700000000 ] - [ 0.0000669800000000, 0.0000326700000000, 0.0003302200000000 ] - [ 0.0002775000000000, -0.0000005900000000, 0.0002795400000000 ] - [ 0.0000095800000000, 0.0000134800000000, 0.0006376800000000 ] - [ -0.0002420600000000, -0.0013085300000000, -0.0001111700000000 ] - [ -0.0006463600000000, -0.0002100800000000, -0.0000115900000000 ] - [ -0.0307443400000000, -0.0379818000000000, 0.0048163500000000 ] - [ 0.1703656400000000, 0.1485665100000000, -0.0569325800000000 ] - [ -0.0003595300000000, 0.0006671800000000, -0.0015835900000000 ] - [ -0.0000762100000000, 0.0000027900000000, 0.0001167200000000 ] - [ -0.0003110900000000, 0.0002428600000000, 0.0002634200000000 ] - [ 0.0006263000000000, 0.0000217700000000, 0.0005516900000000 ] - [ -0.0008876400000000, -0.0006344300000000, -0.0002586800000000 ] - [ 0.0002705400000000, 0.0004666500000000, -0.0003622500000000 ] - [ -0.0000132800000000, -0.0000890300000000, 0.0000479500000000 ] - [ 0.0000512000000000, -0.0005821200000000, -0.0005235600000000 ] - [ 0.0005363800000000, 0.0015123700000000, -0.0000460200000000 ] - [ -0.0014199400000000, 0.0005842200000000, 0.0000620100000000 ] - [ -0.0001362300000000, 0.0001623000000000, -0.0001643300000000 ] - [ 0.0003351100000000, 0.0001344200000000, 0.0002590800000000 ] - [ -0.0013396600000000, 0.0014687500000000, 0.0010317700000000 ] - [ -0.0006935600000000, -0.0001569100000000, -0.0005346100000000 ] - [ -0.0007510900000000, -0.0005466900000000, -0.0002782900000000 ] - [ -0.0000105900000000, -0.0000600200000000, 0.0006183500000000 ] - [ 0.0001192800000000, -0.0002406800000000, -0.0001665000000000 ] - [ -0.0000132800000000, 0.0000744300000000, -0.0000619900000000 ] - [ 0.0003209600000000, 0.0003207800000000, -0.0004950500000000 ] - [ -0.0000116600000000, 0.0003083100000000, 0.0002620800000000 ] - [ -0.0000826200000000, -0.0011918300000000, 0.0013813700000000 ] - [ 0.0001069800000000, 0.0000947300000000, 0.0004059900000000 ] - [ 0.0000345800000000, 0.0010801400000000, -0.0003643600000000 ] - [ -0.0004087700000000, 0.0000051700000000, -0.0004918700000000 ] - [ 0.0002071800000000, -0.0021595900000000, -0.0015245100000000 ] - [ -0.0001853900000000, -0.0002035500000000, 0.0002316600000000 ] - [ 0.0002058300000000, -0.0000773200000000, 0.0003875300000000 ] - [ -0.0003266600000000, 0.0000750200000000, -0.0004239100000000 ] - [ -0.0001593900000000, -0.0002891600000000, 0.0002719000000000 ] - [ 0.0001809700000000, 0.0000970300000000, 0.0001594400000000 ] - [ 0.0003785500000000, -0.0009977900000000, -0.0001861600000000 ] - [ -0.0000282500000000, -0.0001079700000000, 0.0001694100000000 ] - [ 0.0009109400000000, 0.0006927100000000, -0.0006836300000000 ] - [ -0.0001440400000000, 0.0002569400000000, 0.0002484200000000 ] - [ -0.0004530000000000, 0.0000269600000000, 0.0001392900000000 ] - [ 0.0002539500000000, -0.0000463500000000, -0.0000051800000000 ] - [ 0.0165680400000000, 0.0115221300000000, -0.0005768900000000 ] - [ -0.0001961600000000, -0.0000766600000000, 0.0002659500000000 ] - [ -0.0003430400000000, 0.0005778200000000, 0.0005562600000000 ] - [ -0.0001466000000000, -0.0001312400000000, -0.0003624500000000 ] - [ -0.0000055300000000, -0.0000262000000000, 0.0006385200000000 ] - [ 0.0104971800000000, -0.0103574100000000, 0.0089243900000000 ] - [ 0.0000112200000000, 0.0000865500000000, 0.0001891700000000 ] - [ -0.0021547600000000, -0.0005915300000000, -0.0006367500000000 ] - [ 0.0001686600000000, -0.0003482000000000, -0.0000275200000000 ] - [ 0.0000447800000000, -0.0000462900000000, 0.0001951700000000 ] - [ 0.0001374600000000, -0.0005353200000000, -0.0005100500000000 ] - [ -0.0000487600000000, 0.0000318300000000, 0.0000301000000000 ] - [ -0.0003411400000000, -0.0005322600000000, 0.0005515600000000 ] - [ -0.0016155700000000, 0.0009527500000000, 0.0017280600000000 ] - [ 0.0000011900000000, -0.0000691300000000, 0.0003107700000000 ] - [ 0.0000013900000000, -0.0002917400000000, 0.0002398500000000 ] - [ -0.0011930700000000, -0.0007163900000000, 0.0008837100000000 ] - [ 0.0001210700000000, 0.0002135200000000, -0.0001895000000000 ] - [ -0.0001197700000000, -0.0000696400000000, -0.0002366700000000 ] - [ 0.0000211000000000, -0.0000008400000000, 0.0000931200000000 ] - [ -0.0000358100000000, 0.0000423400000000, -0.0000823800000000 ] - [ -0.0000417200000000, 0.0011480500000000, 0.0018633300000000 ] - [ 0.0003495200000000, -0.0017409600000000, -0.0001258700000000 ] - [ -0.0001992100000000, -0.0005462200000000, -0.0002138400000000 ] - [ -0.0001542400000000, -0.0001425700000000, -0.0001506900000000 ] - [ 0.0003284700000000, 0.0017974300000000, -0.0013747100000000 ] - [ 0.0001936000000000, 0.0003266600000000, -0.0002377300000000 ] - [ -0.0011434800000000, 0.0003959200000000, -0.0002785300000000 ] - [ 0.0003337300000000, -0.0001328100000000, 0.0000148400000000 ] - [ 0.0000108300000000, -0.0000135600000000, 0.0002123400000000 ] - [ 0.0003214800000000, -0.0001360300000000, 0.0002365200000000 ] - [ -0.0000277900000000, -0.0000208300000000, 0.0002142800000000 ] - [ 0.0000054600000000, 0.0000051800000000, 0.0003427600000000 ] - [ -0.0024975400000000, 0.0011207000000000, 0.0021418500000000 ] - [ -0.0001480500000000, 0.0001450200000000, -0.0000112900000000 ] - [ 0.0003291600000000, 0.0005407600000000, 0.0004059500000000 ] - [ 0.0000738700000000, 0.0000178600000000, 0.0001807600000000 ] - [ -0.0003077700000000, -0.0002301500000000, 0.0002632700000000 ] - [ -0.0000452400000000, 0.0000341900000000, -0.0002110200000000 ] - [ 0.0001736100000000, -0.0001070400000000, 0.0007197700000000 ] - [ -0.0007452700000000, -0.0038165300000000, -0.0021667200000000 ] - [ -0.0000854300000000, -0.0001143800000000, 0.0001510900000000 ] - [ -0.0001273400000000, 0.0000244800000000, 0.0001035200000000 ] - [ -0.0000820100000000, 0.0000483400000000, 0.0001872300000000 ] - [ 0.0001666600000000, -0.0001894600000000, -0.0005480900000000 ] - [ -0.0003264200000000, -0.0001551900000000, 0.0001399500000000 ] - [ -0.0004228900000000, 0.0000114200000000, 0.0003950600000000 ] - [ 0.0000222900000000, 0.0001738300000000, 0.0002368900000000 ] - [ 0.0003060400000000, 0.0000209400000000, -0.0001682200000000 ] - [ 0.0002404000000000, 0.0003202500000000, -0.0004720500000000 ] - [ -0.0024360200000000, 0.0001856000000000, 0.0010592200000000 ] - [ 0.0002050200000000, 0.0000390700000000, 0.0000697400000000 ] - [ -0.0020071700000000, 0.0001377300000000, -0.0012746500000000 ] - [ 0.0000835300000000, -0.0002004000000000, 0.0002260700000000 ] - [ -0.0012473800000000, -0.0043708600000000, 0.0021226100000000 ] - [ 0.0001569400000000, 0.0000121800000000, 0.0001843200000000 ] - [ 0.0012896800000000, 0.0002857900000000, -0.0004818900000000 ] - [ -0.0000684300000000, 0.0001062700000000, 0.0001515200000000 ]- atom: 95 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000225000000000, 0.0001769700000000, 0.0002605100000000 ] - [ -0.0000919700000000, 0.0003054900000000, 0.0001712100000000 ] - [ -0.0000058000000000, 0.0000270900000000, 0.0001725900000000 ] - [ 0.0000055800000000, 0.0000701200000000, 0.0000189700000000 ] - [ -0.0000080700000000, 0.0001267100000000, -0.0003253000000000 ] - [ -0.0000705500000000, -0.0002913000000000, -0.0000074400000000 ] - [ -0.0004336900000000, -0.0000431400000000, 0.0002357800000000 ] - [ -0.0001256100000000, -0.0001004700000000, -0.0002804600000000 ] - [ -0.0000739000000000, 0.0000538000000000, 0.0001534900000000 ] - [ 0.0000357500000000, -0.0000893100000000, -0.0033254400000000 ] - [ -0.0001293200000000, 0.0001443400000000, 0.0002835200000000 ] - [ -0.0001388800000000, -0.0000689800000000, -0.0002690800000000 ] - [ 0.0014167000000000, 0.0007306700000000, -0.0005764700000000 ] - [ 0.0000173500000000, -0.0000858700000000, 0.0002892500000000 ] - [ 0.0005016600000000, -0.0001239400000000, 0.0000604400000000 ] - [ 0.0000537300000000, -0.0001656200000000, 0.0003785800000000 ] - [ 0.0001886100000000, 0.0000213000000000, 0.0002495500000000 ] - [ 0.0000467500000000, 0.0001722800000000, -0.0001939800000000 ] - [ 0.0006053400000000, -0.0005604700000000, 0.0022588300000000 ] - [ -0.0008420400000000, 0.0002903200000000, -0.0005354100000000 ] - [ 0.0007631900000000, -0.0006452300000000, -0.0001901400000000 ] - [ 0.0006553100000000, -0.0004565900000000, 0.0002670700000000 ] - [ 0.0000273800000000, -0.0002594400000000, 0.0002409000000000 ] - [ 0.0000720000000000, 0.0000319800000000, 0.0002208500000000 ] - [ -0.0010125600000000, 0.0006764400000000, 0.0006497900000000 ] - [ -0.0010396500000000, -0.0013028100000000, -0.0003027800000000 ] - [ -0.0039963300000000, 0.0016365900000000, -0.0005466700000000 ] - [ -0.0000836600000000, 0.0000559200000000, 0.0003524800000000 ] - [ 0.0002112600000000, 0.0001187500000000, 0.0002445800000000 ] - [ 0.0000417600000000, 0.0000992800000000, 0.0003038800000000 ] - [ 0.0004487200000000, 0.0009362400000000, 0.0000921900000000 ] - [ 0.0001318900000000, 0.0002610300000000, -0.0003894600000000 ] - [ 0.0000104800000000, 0.0000432200000000, 0.0003220000000000 ] - [ 0.0001127200000000, -0.0001037600000000, 0.0002735900000000 ] - [ 0.0000877200000000, -0.0000644800000000, -0.0001215600000000 ] - [ -0.0002421700000000, -0.0001984500000000, 0.0001047800000000 ] - [ -0.0005431100000000, -0.0006821100000000, 0.0005602800000000 ] - [ -0.0000971200000000, 0.0005668900000000, 0.0002286800000000 ] - [ 0.0000685100000000, -0.0010705400000000, -0.0002775600000000 ] - [ -0.0000511200000000, -0.0001751000000000, 0.0000814600000000 ] - [ -0.0025033900000000, 0.0071502400000000, 0.0003248500000000 ] - [ 0.0001338400000000, -0.0002335200000000, 0.0003706800000000 ] - [ 0.0034422500000000, -0.0013635700000000, 0.0000473100000000 ] - [ 0.0003237700000000, 0.0003763300000000, -0.0000019800000000 ] - [ -0.0005769000000000, 0.0017399400000000, -0.0023932700000000 ] - [ 0.0001389000000000, -0.0001444900000000, 0.0002577500000000 ] - [ 0.0007047400000000, -0.0010260400000000, -0.0003722800000000 ] - [ -0.0002346900000000, -0.0001932400000000, 0.0000117000000000 ] - [ 0.0001210000000000, 0.0003280400000000, 0.0000124900000000 ] - [ 0.0004051400000000, 0.0000503600000000, -0.0002082600000000 ] - [ -0.0000958300000000, 0.0000649200000000, 0.0002503000000000 ] - [ -0.0002223200000000, 0.0001678300000000, 0.0002875600000000 ] - [ -0.0000005200000000, -0.0001474100000000, 0.0000234100000000 ] - [ -0.0002126100000000, -0.0000128400000000, -0.0001804900000000 ] - [ -0.0000272400000000, -0.0000280000000000, 0.0001740700000000 ] - [ -0.0004425100000000, -0.0000432400000000, -0.0003690700000000 ] - [ -0.0015549700000000, 0.0020093500000000, 0.0016795500000000 ] - [ -0.0002213900000000, -0.0000950400000000, 0.0003017400000000 ] - [ 0.0001453700000000, -0.0007721000000000, 0.0005624600000000 ] - [ -0.0002670800000000, -0.0006412900000000, -0.0003814400000000 ] - [ -0.0006077800000000, -0.0038071100000000, -0.0003404100000000 ] - [ -0.0001390200000000, -0.0005097700000000, 0.0001612200000000 ] - [ 0.0001299300000000, 0.0000594900000000, 0.0001158800000000 ] - [ -0.0000064400000000, -0.0000006900000000, 0.0003491900000000 ] - [ 0.0000742300000000, -0.0003856900000000, 0.0000944300000000 ] - [ -0.0028274500000000, -0.0009222600000000, -0.0007401400000000 ] - [ 0.0022449500000000, -0.0000690800000000, -0.0050622500000000 ] - [ -0.0007728900000000, -0.0006938300000000, -0.0001513600000000 ] - [ -0.0016759700000000, -0.0014005400000000, 0.0006680300000000 ] - [ 0.0000109900000000, 0.0000650400000000, 0.0003982100000000 ] - [ 0.0015567300000000, 0.0007809100000000, -0.0021627000000000 ] - [ 0.0004550600000000, -0.0003706700000000, -0.0005244400000000 ] - [ -0.0000722500000000, 0.0003143300000000, -0.0001109300000000 ] - [ 0.0209760900000000, 0.1819442100000000, -0.0416171600000000 ] - [ 0.0055989800000000, -0.0011416900000000, 0.0023894500000000 ] - [ -0.0004292700000000, -0.0003804500000000, 0.0004149000000000 ] - [ -0.0000756800000000, 0.0000413000000000, 0.0004560400000000 ] - [ 0.0000830000000000, -0.0000393700000000, 0.0004960500000000 ] - [ 0.0016982500000000, -0.0026116100000000, -0.0005475100000000 ] - [ 0.0001979800000000, 0.0007447100000000, 0.0008597700000000 ] - [ 0.0000807600000000, -0.0000288600000000, 0.0000004400000000 ] - [ -0.0000925100000000, -0.0000582100000000, -0.0002035100000000 ] - [ 0.0011476100000000, 0.0018696500000000, 0.0011308000000000 ] - [ -0.0000542700000000, -0.0001767600000000, 0.0001560600000000 ] - [ -0.0000166400000000, -0.0000307900000000, -0.0000460000000000 ] - [ 0.0000457100000000, 0.0000528400000000, -0.0002086200000000 ] - [ -0.0000240500000000, -0.0000147900000000, 0.0000924000000000 ] - [ -0.0000386700000000, -0.0011493500000000, -0.0000049200000000 ] - [ 0.0002689900000000, 0.0002749400000000, 0.0002068300000000 ] - [ 0.0003176600000000, -0.0000247000000000, 0.0001510000000000 ] - [ -0.0000132500000000, 0.0000011600000000, 0.0003860000000000 ] - [ 0.0010818100000000, 0.0011114400000000, -0.0005082700000000 ] - [ 0.0003074400000000, 0.0011309100000000, -0.0001018600000000 ] - [ -0.0015806400000000, -0.0199704900000000, -0.0000491800000000 ] - [ -0.0468398100000000, -0.2200151100000000, 0.0567798000000000 ] - [ -0.0001600300000000, -0.0003695900000000, -0.0008181900000000 ] - [ 0.0000154600000000, -0.0000530200000000, 0.0001416600000000 ] - [ -0.0002415700000000, 0.0001455400000000, 0.0001297100000000 ] - [ 0.0005628200000000, -0.0000317800000000, 0.0003938300000000 ] - [ 0.0000141300000000, 0.0005415900000000, -0.0008941800000000 ] - [ -0.0014747600000000, 0.0012102100000000, -0.0002242300000000 ] - [ -0.0000792700000000, -0.0000277700000000, -0.0002519600000000 ] - [ 0.0016003700000000, 0.0009004300000000, 0.0008796100000000 ] - [ -0.0002390800000000, -0.0003252700000000, 0.0004743400000000 ] - [ -0.0005629100000000, -0.0003464600000000, 0.0001346400000000 ] - [ 0.0000551300000000, 0.0000952000000000, -0.0000686600000000 ] - [ 0.0002161600000000, 0.0001502600000000, 0.0001254400000000 ] - [ -0.0004853300000000, 0.0003120500000000, 0.0004146900000000 ] - [ 0.0000706600000000, 0.0001019000000000, -0.0000659100000000 ] - [ -0.0000473500000000, 0.0009939700000000, -0.0002833600000000 ] - [ 0.0000723900000000, 0.0000628200000000, -0.0001331200000000 ] - [ 0.0000806300000000, 0.0000909600000000, -0.0000210900000000 ] - [ -0.0000288600000000, 0.0000493400000000, -0.0001044000000000 ] - [ -0.0010030900000000, 0.0001080900000000, -0.0015157000000000 ] - [ -0.0000521400000000, 0.0003306800000000, 0.0001341900000000 ] - [ 0.0010164200000000, 0.0006834000000000, 0.0001527200000000 ] - [ -0.0002326400000000, -0.0002193100000000, -0.0005582700000000 ] - [ -0.0010963500000000, -0.0007629200000000, -0.0007631800000000 ] - [ -0.0001928400000000, -0.0001777400000000, -0.0002472500000000 ] - [ 0.0006720500000000, -0.0001170500000000, -0.0001788200000000 ] - [ 0.0000095900000000, 0.0000281400000000, -0.0002518000000000 ] - [ 0.0004295300000000, 0.0002785700000000, -0.0005860800000000 ] - [ -0.0011789400000000, 0.0007945400000000, -0.0002710000000000 ] - [ -0.0001516200000000, -0.0002070200000000, 0.0001510800000000 ] - [ 0.0000411200000000, -0.0001371200000000, -0.0006011700000000 ] - [ -0.0004683300000000, 0.0018837000000000, 0.0003468700000000 ] - [ -0.0000042100000000, -0.0000633000000000, 0.0001583600000000 ] - [ -0.0036479200000000, 0.0021139300000000, -0.0034555900000000 ] - [ -0.0001321100000000, 0.0002577200000000, 0.0001755500000000 ] - [ -0.0001437100000000, 0.0001574600000000, 0.0002790500000000 ] - [ -0.0000321100000000, 0.0000350600000000, 0.0002530500000000 ] - [ 0.0186907800000000, 0.0473727500000000, -0.0068784400000000 ] - [ -0.0002738700000000, 0.0000350100000000, 0.0002652300000000 ] - [ -0.0002845800000000, 0.0004722300000000, 0.0003949200000000 ] - [ -0.0003314300000000, 0.0006858900000000, 0.0000718200000000 ] - [ 0.0000179000000000, 0.0000146100000000, 0.0004502000000000 ] - [ 0.0136999100000000, -0.0063675300000000, -0.0073463000000000 ] - [ -0.0000791200000000, 0.0000861300000000, 0.0000145900000000 ] - [ 0.0007032500000000, 0.0000938400000000, -0.0001595200000000 ] - [ 0.0002717800000000, -0.0000451600000000, -0.0004642600000000 ] - [ 0.0001610900000000, 0.0000338300000000, 0.0001165300000000 ] - [ 0.0005311200000000, 0.0001518800000000, 0.0004977200000000 ] - [ -0.0000080700000000, -0.0000462100000000, -0.0003647300000000 ] - [ -0.0002898300000000, -0.0005284200000000, 0.0004022500000000 ] - [ -0.0007341700000000, -0.0006589700000000, 0.0009171800000000 ] - [ 0.0001482000000000, -0.0000936700000000, 0.0003006100000000 ] - [ -0.0000315700000000, -0.0003483300000000, 0.0001472700000000 ] - [ -0.0005430100000000, -0.0009787100000000, 0.0004746800000000 ] - [ -0.0000339400000000, 0.0003526100000000, -0.0001149300000000 ] - [ -0.0000195900000000, -0.0000281700000000, -0.0002827300000000 ] - [ 0.0001069800000000, -0.0000266200000000, -0.0002088400000000 ] - [ 0.0000769200000000, 0.0003378300000000, -0.0002060700000000 ] - [ -0.0020939200000000, 0.0010854500000000, 0.0036982700000000 ] - [ 0.0009124700000000, -0.0004229600000000, -0.0007386900000000 ] - [ 0.0011802800000000, 0.0018700600000000, -0.0007737900000000 ] - [ 0.0000426800000000, -0.0003968800000000, -0.0002117900000000 ] - [ -0.0012340500000000, 0.0000215400000000, -0.0007857400000000 ] - [ -0.0016344700000000, 0.0002118900000000, 0.0008181100000000 ] - [ -0.0000980000000000, 0.0000275200000000, -0.0001516300000000 ] - [ -0.0005385700000000, 0.0004092600000000, 0.0006097400000000 ] - [ -0.0000861800000000, -0.0000558000000000, 0.0000301200000000 ] - [ 0.0003157900000000, -0.0001258000000000, 0.0001622100000000 ] - [ -0.0000193200000000, 0.0001174900000000, 0.0001368800000000 ] - [ -0.0000846000000000, 0.0000604900000000, 0.0003617500000000 ] - [ -0.0011818400000000, -0.0004479900000000, 0.0011342100000000 ] - [ -0.0004639500000000, 0.0002124600000000, -0.0000652000000000 ] - [ -0.0001229500000000, -0.0002176000000000, 0.0001997700000000 ] - [ 0.0000395800000000, 0.0000162800000000, 0.0000501300000000 ] - [ -0.0002406200000000, -0.0001778700000000, 0.0001414000000000 ] - [ -0.0000547900000000, 0.0001399100000000, -0.0002534400000000 ] - [ 0.0000508900000000, -0.0005289000000000, -0.0002016300000000 ] - [ 0.0029785300000000, 0.0026961800000000, 0.0020890200000000 ] - [ -0.0000653000000000, -0.0000919900000000, 0.0000540900000000 ] - [ -0.0000217700000000, 0.0004031300000000, -0.0000122300000000 ] - [ -0.0001959700000000, -0.0001296500000000, 0.0001421900000000 ] - [ 0.0002481800000000, -0.0000864700000000, 0.0005582200000000 ] - [ -0.0001078200000000, 0.0001017500000000, 0.0000825300000000 ] - [ 0.0000432700000000, -0.0001621100000000, -0.0000357100000000 ] - [ 0.0001100100000000, 0.0002237500000000, 0.0001279600000000 ] - [ -0.0012827500000000, 0.0019406400000000, -0.0009909800000000 ] - [ -0.0012905900000000, 0.0017720300000000, 0.0008361000000000 ] - [ 0.0001536700000000, -0.0002686500000000, 0.0000784700000000 ] - [ -0.0001977400000000, 0.0003442200000000, -0.0003583400000000 ] - [ -0.0001657100000000, -0.0002464500000000, -0.0002679900000000 ] - [ 0.0000925100000000, -0.0001061200000000, 0.0001159600000000 ] - [ 0.0030231200000000, 0.0021791200000000, -0.0024343500000000 ] - [ 0.0001292900000000, -0.0000363600000000, 0.0000230900000000 ] - [ 0.0003357900000000, -0.0013009400000000, 0.0002411600000000 ] - [ -0.0000597000000000, 0.0001341500000000, 0.0000542000000000 ]- atom: 95 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000297100000000, 0.0002407900000000, 0.0001655600000000 ] - [ -0.0000230200000000, -0.0000778800000000, 0.0001686100000000 ] - [ -0.0000450400000000, 0.0000762900000000, 0.0001011200000000 ] - [ 0.0000112100000000, -0.0003473400000000, 0.0002321200000000 ] - [ -0.0002409400000000, 0.0003201100000000, -0.0001111700000000 ] - [ -0.0001480600000000, -0.0000897900000000, 0.0000017200000000 ] - [ 0.0008883900000000, 0.0000478100000000, -0.0002479400000000 ] - [ -0.0001337500000000, -0.0003497700000000, -0.0001521700000000 ] - [ -0.0000556500000000, 0.0001945900000000, -0.0000409700000000 ] - [ -0.0002710400000000, 0.0004895200000000, 0.0033037700000000 ] - [ 0.0001442400000000, 0.0001463400000000, -0.0000403900000000 ] - [ -0.0000001500000000, -0.0003674100000000, 0.0000266600000000 ] - [ -0.0016171600000000, -0.0011628400000000, -0.0000159100000000 ] - [ 0.0000118800000000, -0.0000717500000000, 0.0002098200000000 ] - [ -0.0000710900000000, 0.0000158700000000, -0.0003125500000000 ] - [ -0.0001753500000000, -0.0000410900000000, -0.0000342600000000 ] - [ 0.0000677500000000, -0.0000056400000000, 0.0000906500000000 ] - [ 0.0001984500000000, -0.0000179700000000, 0.0004405600000000 ] - [ -0.0006467400000000, 0.0008748000000000, -0.0021431300000000 ] - [ 0.0006674100000000, 0.0001592100000000, -0.0000564900000000 ] - [ -0.0003070800000000, 0.0006397400000000, 0.0001773000000000 ] - [ -0.0003839600000000, 0.0005831000000000, -0.0001522400000000 ] - [ 0.0000272600000000, -0.0001711800000000, 0.0001836300000000 ] - [ 0.0000418000000000, -0.0000244800000000, 0.0000516900000000 ] - [ 0.0013064500000000, -0.0006770200000000, -0.0000731500000000 ] - [ 0.0007923800000000, 0.0009348800000000, -0.0002899400000000 ] - [ 0.0039197100000000, -0.0014702200000000, 0.0002153600000000 ] - [ -0.0000678600000000, -0.0001102100000000, 0.0001463100000000 ] - [ 0.0001237300000000, 0.0001352800000000, 0.0001815900000000 ] - [ -0.0000265200000000, 0.0000599000000000, 0.0001912800000000 ] - [ 0.0003057600000000, -0.0009530000000000, -0.0000304800000000 ] - [ 0.0003787100000000, -0.0002540200000000, -0.0000462300000000 ] - [ 0.0001202200000000, 0.0000497400000000, 0.0001729000000000 ] - [ 0.0000200000000000, -0.0000028100000000, 0.0002203500000000 ] - [ 0.0003502800000000, 0.0001701500000000, -0.0001297600000000 ] - [ -0.0000032800000000, 0.0000760200000000, 0.0001456000000000 ] - [ 0.0001612700000000, 0.0013292800000000, -0.0005213300000000 ] - [ -0.0000306100000000, -0.0001385400000000, -0.0004810500000000 ] - [ -0.0004481000000000, 0.0004154900000000, 0.0003140400000000 ] - [ -0.0000824500000000, -0.0000559000000000, 0.0000356300000000 ] - [ 0.0030861400000000, -0.0078021300000000, -0.0009661100000000 ] - [ 0.0000988500000000, 0.0000549400000000, -0.0001246600000000 ] - [ -0.0035407500000000, 0.0011767000000000, -0.0003916100000000 ] - [ -0.0005460200000000, 0.0000148700000000, -0.0000079400000000 ] - [ 0.0005483500000000, -0.0020710700000000, 0.0024975900000000 ] - [ 0.0001993700000000, -0.0001045400000000, 0.0001673300000000 ] - [ -0.0009923400000000, 0.0013912600000000, -0.0002185900000000 ] - [ -0.0000100900000000, 0.0000169800000000, 0.0000891200000000 ] - [ -0.0003567200000000, -0.0001564900000000, 0.0000964000000000 ] - [ -0.0001683500000000, -0.0000416000000000, -0.0001303600000000 ] - [ -0.0000633400000000, -0.0000032300000000, 0.0002437000000000 ] - [ -0.0001620900000000, -0.0000008200000000, 0.0001351500000000 ] - [ -0.0002738200000000, 0.0002601100000000, 0.0002250000000000 ] - [ -0.0000971000000000, 0.0003335700000000, -0.0000708500000000 ] - [ -0.0000366300000000, -0.0000826000000000, 0.0000923600000000 ] - [ 0.0007145800000000, -0.0000739700000000, 0.0004825700000000 ] - [ 0.0013288500000000, -0.0024082700000000, -0.0016997800000000 ] - [ -0.0001785600000000, -0.0000720500000000, 0.0001202300000000 ] - [ -0.0002869500000000, 0.0005335100000000, 0.0000306400000000 ] - [ 0.0001378900000000, 0.0008894100000000, 0.0009794400000000 ] - [ 0.0010593000000000, 0.0037373700000000, -0.0002467000000000 ] - [ -0.0001702800000000, 0.0001723200000000, -0.0004058600000000 ] - [ 0.0001493900000000, -0.0000477900000000, -0.0000029000000000 ] - [ 0.0000585600000000, -0.0000926400000000, 0.0002482500000000 ] - [ -0.0001429000000000, 0.0005042900000000, 0.0001343000000000 ] - [ 0.0028162700000000, 0.0009340100000000, 0.0009010500000000 ] - [ -0.0022618700000000, 0.0000604900000000, 0.0040986500000000 ] - [ 0.0010532100000000, 0.0011706800000000, 0.0000534700000000 ] - [ 0.0016751000000000, 0.0014203800000000, -0.0016692600000000 ] - [ -0.0000105000000000, -0.0000637600000000, 0.0005163900000000 ] - [ -0.0015640200000000, -0.0007801000000000, 0.0015007900000000 ] - [ -0.0002172300000000, 0.0007868500000000, 0.0000547700000000 ] - [ -0.0003959000000000, -0.0003160900000000, -0.0003618100000000 ] - [ -0.0185155700000000, -0.1792340500000000, 0.0400044200000000 ] - [ -0.0056432300000000, 0.0011391700000000, -0.0022440200000000 ] - [ 0.0006632100000000, -0.0000276400000000, -0.0008926100000000 ] - [ -0.0000304900000000, -0.0000418200000000, 0.0001395600000000 ] - [ -0.0000257300000000, 0.0001394000000000, 0.0001061500000000 ] - [ -0.0014125400000000, 0.0021430500000000, 0.0004500000000000 ] - [ -0.0000660700000000, -0.0007516100000000, -0.0006439600000000 ] - [ -0.0000648200000000, 0.0000186700000000, -0.0005770700000000 ] - [ 0.0000773800000000, 0.0000682000000000, -0.0003722500000000 ] - [ -0.0011519700000000, -0.0018614200000000, -0.0004532700000000 ] - [ -0.0000151100000000, 0.0000563600000000, 0.0000740900000000 ] - [ 0.0000149800000000, 0.0000278000000000, -0.0001943700000000 ] - [ -0.0000483400000000, -0.0000562400000000, -0.0000312400000000 ] - [ 0.0000266400000000, 0.0000189600000000, 0.0002367300000000 ] - [ 0.0001607400000000, 0.0009526400000000, 0.0002750000000000 ] - [ 0.0001622900000000, -0.0000990000000000, 0.0003651300000000 ] - [ 0.0003183900000000, 0.0000202100000000, 0.0002543000000000 ] - [ 0.0000123100000000, -0.0000018000000000, 0.0006399900000000 ] - [ -0.0008849400000000, -0.0008443200000000, -0.0001415600000000 ] - [ -0.0001494400000000, -0.0008545200000000, -0.0000056800000000 ] - [ 0.0010971500000000, 0.0197872800000000, 0.0000017300000000 ] - [ 0.0437315900000000, 0.2172981000000000, -0.0557835700000000 ] - [ 0.0001589500000000, 0.0003657000000000, 0.0000467100000000 ] - [ 0.0000696000000000, 0.0000487700000000, 0.0003030900000000 ] - [ -0.0002630500000000, 0.0002507400000000, 0.0002247600000000 ] - [ 0.0005434900000000, 0.0000365900000000, 0.0003892600000000 ] - [ -0.0016740200000000, -0.0006012800000000, -0.0000528500000000 ] - [ 0.0016822500000000, -0.0014851900000000, -0.0004264900000000 ] - [ -0.0000140200000000, -0.0001342800000000, 0.0000444300000000 ] - [ -0.0019265300000000, -0.0008637900000000, -0.0015247300000000 ] - [ 0.0011146500000000, 0.0017467400000000, -0.0014284600000000 ] - [ 0.0003353300000000, 0.0003473400000000, 0.0001317500000000 ] - [ 0.0002205900000000, 0.0003513600000000, -0.0001686200000000 ] - [ 0.0003527900000000, 0.0000901700000000, 0.0002291000000000 ] - [ 0.0003677100000000, -0.0001092800000000, -0.0004115500000000 ] - [ -0.0002021200000000, -0.0003273900000000, -0.0003038100000000 ] - [ 0.0000420900000000, -0.0006979700000000, -0.0002271800000000 ] - [ -0.0001188600000000, 0.0000096900000000, 0.0005800600000000 ] - [ 0.0001495000000000, -0.0004830600000000, -0.0002929600000000 ] - [ -0.0000659200000000, 0.0001010500000000, -0.0001021200000000 ] - [ 0.0010117500000000, -0.0001024900000000, 0.0014961400000000 ] - [ -0.0000243700000000, 0.0002821200000000, 0.0002206500000000 ] - [ -0.0010151400000000, -0.0006938200000000, 0.0014765300000000 ] - [ -0.0002191900000000, 0.0002247100000000, 0.0002513900000000 ] - [ 0.0012127600000000, 0.0009567800000000, 0.0010278400000000 ] - [ -0.0000157600000000, 0.0001697100000000, -0.0000758900000000 ] - [ -0.0005349100000000, -0.0001953900000000, -0.0004759300000000 ] - [ -0.0005327300000000, -0.0000162400000000, 0.0000180200000000 ] - [ -0.0001818100000000, 0.0001841100000000, 0.0003510300000000 ] - [ 0.0009163300000000, -0.0006372900000000, -0.0002433900000000 ] - [ -0.0001680800000000, -0.0003464600000000, 0.0002560100000000 ] - [ 0.0000879900000000, 0.0001438800000000, 0.0001024700000000 ] - [ 0.0006274100000000, -0.0021551100000000, -0.0004538500000000 ] - [ -0.0000740200000000, -0.0000833300000000, 0.0001492700000000 ] - [ 0.0033435000000000, -0.0021659600000000, 0.0028370800000000 ] - [ -0.0001897200000000, 0.0002911500000000, 0.0002294600000000 ] - [ -0.0002299600000000, 0.0001255400000000, 0.0002934000000000 ] - [ 0.0002881000000000, -0.0005191400000000, -0.0004903900000000 ] - [ -0.0180954200000000, -0.0461768000000000, 0.0063290000000000 ] - [ -0.0000815700000000, -0.0003125800000000, 0.0003038600000000 ] - [ -0.0002643600000000, 0.0004881400000000, 0.0003881500000000 ] - [ 0.0002013200000000, -0.0004525600000000, -0.0004371900000000 ] - [ -0.0000181900000000, -0.0000156000000000, 0.0005760300000000 ] - [ -0.0133835000000000, 0.0061679600000000, 0.0069966700000000 ] - [ -0.0000078600000000, 0.0000697200000000, 0.0002894200000000 ] - [ -0.0009666000000000, -0.0002444300000000, -0.0003516100000000 ] - [ -0.0001753900000000, -0.0001393000000000, 0.0001436500000000 ] - [ 0.0000166000000000, -0.0000312900000000, 0.0001874600000000 ] - [ -0.0005260800000000, -0.0001516600000000, -0.0005277000000000 ] - [ 0.0000098900000000, 0.0000494000000000, -0.0005176800000000 ] - [ -0.0002605500000000, -0.0004249400000000, 0.0003804200000000 ] - [ 0.0009755800000000, 0.0006566400000000, -0.0009139200000000 ] - [ 0.0002829300000000, -0.0000875300000000, 0.0002722900000000 ] - [ -0.0000455400000000, -0.0002761500000000, 0.0002068100000000 ] - [ 0.0004272700000000, 0.0007787200000000, -0.0004719300000000 ] - [ 0.0001337700000000, -0.0001810700000000, -0.0002052500000000 ] - [ -0.0000394100000000, -0.0000735600000000, -0.0002227700000000 ] - [ 0.0000698000000000, 0.0000195000000000, 0.0000032200000000 ] - [ 0.0001511800000000, 0.0000571500000000, -0.0001089600000000 ] - [ 0.0021133000000000, -0.0010994800000000, -0.0020911400000000 ] - [ -0.0000465800000000, -0.0010032200000000, -0.0002069900000000 ] - [ -0.0003996500000000, -0.0004215600000000, -0.0001723100000000 ] - [ 0.0002292500000000, -0.0000516200000000, -0.0000240800000000 ] - [ 0.0013813900000000, 0.0002941000000000, 0.0001351700000000 ] - [ -0.0000191600000000, -0.0001691700000000, -0.0017765300000000 ] - [ 0.0000952200000000, -0.0003249800000000, -0.0003597500000000 ] - [ 0.0013278900000000, -0.0018789200000000, -0.0015662600000000 ] - [ -0.0000007700000000, -0.0000834500000000, 0.0002784800000000 ] - [ 0.0002790500000000, -0.0001126100000000, 0.0001920800000000 ] - [ -0.0000629300000000, 0.0000164800000000, 0.0001731500000000 ] - [ 0.0000390000000000, -0.0001397900000000, 0.0000858100000000 ] - [ 0.0011793200000000, 0.0004413200000000, -0.0012261100000000 ] - [ -0.0000811100000000, -0.0002332200000000, -0.0001715800000000 ] - [ 0.0000610900000000, 0.0006830000000000, 0.0003749600000000 ] - [ 0.0001171500000000, -0.0000202000000000, 0.0002602400000000 ] - [ -0.0002622800000000, -0.0002026400000000, 0.0002131700000000 ] - [ -0.0000043500000000, -0.0000257900000000, -0.0002512100000000 ] - [ -0.0001127100000000, 0.0000842600000000, 0.0007774000000000 ] - [ -0.0029608200000000, -0.0027984800000000, -0.0021504900000000 ] - [ -0.0000493500000000, -0.0001061300000000, 0.0001133800000000 ] - [ 0.0000188700000000, -0.0004249600000000, 0.0001766400000000 ] - [ -0.0002673700000000, 0.0001351400000000, 0.0001901800000000 ] - [ -0.0002246000000000, 0.0000442100000000, -0.0004970900000000 ] - [ 0.0001067200000000, -0.0001027600000000, 0.0000803600000000 ] - [ -0.0000956100000000, 0.0001626300000000, 0.0001032900000000 ] - [ 0.0001260600000000, 0.0001858900000000, 0.0002042800000000 ] - [ 0.0013191100000000, -0.0018654100000000, 0.0009339000000000 ] - [ 0.0012993400000000, -0.0017422500000000, -0.0015437000000000 ] - [ -0.0002626100000000, 0.0002665300000000, -0.0001150300000000 ] - [ 0.0002232900000000, -0.0003053000000000, 0.0004201400000000 ] - [ 0.0001454200000000, 0.0002564200000000, -0.0004554800000000 ] - [ 0.0001442300000000, -0.0002925300000000, 0.0002175800000000 ] - [ -0.0030290400000000, -0.0022004100000000, 0.0017358900000000 ] - [ 0.0001068900000000, 0.0000388700000000, 0.0001426900000000 ] - [ -0.0003516500000000, 0.0012875000000000, -0.0000880500000000 ] - [ -0.0000560400000000, 0.0000720300000000, 0.0001113500000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000316300000000, 0.0002111700000000, -0.0001152600000000 ] - [ -0.0003332000000000, -0.0000285500000000, -0.0002169400000000 ] - [ -0.0000274500000000, 0.0000564200000000, -0.0001934500000000 ] - [ 0.0003028200000000, -0.0003044100000000, -0.0002081700000000 ] - [ -0.0000512900000000, 0.0001610900000000, -0.0005132800000000 ] - [ 0.0000660600000000, -0.0002618100000000, 0.0002388100000000 ] - [ 0.0008788500000000, 0.0003888200000000, 0.0000362100000000 ] - [ 0.0000214700000000, -0.0001925300000000, -0.0005378200000000 ] - [ -0.0000866800000000, 0.0002077000000000, -0.0003348800000000 ] - [ -0.0001372300000000, -0.0016831700000000, 0.0000489400000000 ] - [ 0.0003193600000000, 0.0002945300000000, -0.0002458900000000 ] - [ -0.0002709800000000, -0.0006140200000000, -0.0005907200000000 ] - [ -0.0002459600000000, -0.0002806000000000, 0.0009006200000000 ] - [ 0.0000291300000000, -0.0001035700000000, -0.0000820900000000 ] - [ 0.0000597600000000, -0.0000277500000000, -0.0004061200000000 ] - [ -0.0003264400000000, 0.0000634100000000, -0.0001599400000000 ] - [ 0.0001074900000000, 0.0000069100000000, -0.0000539200000000 ] - [ 0.0001329400000000, -0.0002527200000000, -0.0002692200000000 ] - [ -0.0018641200000000, 0.0026356500000000, -0.0004337600000000 ] - [ 0.0002516900000000, 0.0001211800000000, 0.0004756400000000 ] - [ 0.0002209400000000, -0.0000004900000000, 0.0002356700000000 ] - [ -0.0000785100000000, 0.0001557100000000, 0.0003011300000000 ] - [ 0.0000328100000000, -0.0002013300000000, -0.0001252600000000 ] - [ -0.0000560900000000, -0.0000028800000000, -0.0003509600000000 ] - [ 0.0033037800000000, -0.0003011900000000, -0.0003661600000000 ] - [ 0.0000887600000000, 0.0002419000000000, 0.0007334000000000 ] - [ 0.0015018500000000, 0.0006070600000000, 0.0029567000000000 ] - [ -0.0001061100000000, -0.0000581800000000, -0.0002504100000000 ] - [ 0.0001525800000000, 0.0001254400000000, -0.0001200500000000 ] - [ 0.0000091100000000, 0.0000980600000000, -0.0000938500000000 ] - [ -0.0008274200000000, -0.0007257600000000, 0.0001717400000000 ] - [ 0.0005185300000000, -0.0002147000000000, -0.0010521400000000 ] - [ 0.0001466000000000, 0.0000777700000000, -0.0001361500000000 ] - [ 0.0000808900000000, -0.0000575400000000, -0.0000939100000000 ] - [ 0.0002759500000000, 0.0001421700000000, -0.0003047000000000 ] - [ -0.0001351100000000, -0.0000834600000000, -0.0001100600000000 ] - [ -0.0001056200000000, 0.0011838300000000, 0.0000205800000000 ] - [ -0.0003556800000000, 0.0003205500000000, -0.0009460000000000 ] - [ -0.0003627900000000, -0.0002447400000000, 0.0002531500000000 ] - [ -0.0000893900000000, -0.0001193500000000, -0.0002761100000000 ] - [ -0.0001066000000000, 0.0014611400000000, 0.0025771900000000 ] - [ 0.0000844200000000, 0.0002518900000000, -0.0002370400000000 ] - [ -0.0002428300000000, -0.0003039000000000, 0.0009545800000000 ] - [ -0.0001364400000000, 0.0002063800000000, 0.0002262300000000 ] - [ -0.0017200000000000, -0.0028856800000000, -0.0030440100000000 ] - [ 0.0001685300000000, -0.0001173200000000, -0.0001164100000000 ] - [ -0.0002128100000000, 0.0002122100000000, 0.0004548700000000 ] - [ 0.0001029200000000, 0.0000458100000000, 0.0002957100000000 ] - [ 0.0000653000000000, -0.0000655300000000, 0.0003054400000000 ] - [ 0.0003562200000000, -0.0000148900000000, 0.0005839600000000 ] - [ -0.0000961400000000, -0.0000126900000000, -0.0001713300000000 ] - [ -0.0001252000000000, -0.0000443400000000, -0.0002722300000000 ] - [ -0.0001414300000000, 0.0000666900000000, -0.0000714700000000 ] - [ -0.0001042800000000, 0.0002493800000000, -0.0002994800000000 ] - [ -0.0000311600000000, -0.0000610200000000, -0.0002007000000000 ] - [ -0.0002333600000000, -0.0001825500000000, 0.0002548400000000 ] - [ 0.0000967500000000, 0.0001194300000000, 0.0033613400000000 ] - [ -0.0001346000000000, 0.0000288500000000, -0.0002604600000000 ] - [ -0.0000768600000000, 0.0001333100000000, 0.0005200200000000 ] - [ 0.0000203800000000, -0.0002596100000000, 0.0004694800000000 ] - [ 0.0000062000000000, 0.0002983200000000, 0.0004142200000000 ] - [ -0.0001745100000000, 0.0000366400000000, -0.0004691300000000 ] - [ 0.0001108800000000, -0.0000219400000000, -0.0003670600000000 ] - [ -0.0000261000000000, -0.0001470200000000, -0.0008046500000000 ] - [ 0.0000156200000000, 0.0000297500000000, -0.0004802200000000 ] - [ 0.0002084600000000, 0.0002823300000000, 0.0004376900000000 ] - [ 0.0015841400000000, -0.0015514300000000, 0.0012899900000000 ] - [ 0.0005246100000000, 0.0004597100000000, 0.0015945100000000 ] - [ 0.0009053900000000, 0.0016918600000000, 0.0010180900000000 ] - [ 0.0000762000000000, -0.0000427200000000, -0.0007207300000000 ] - [ 0.0043076100000000, -0.0004921300000000, 0.0008908500000000 ] - [ 0.0001979500000000, -0.0002169800000000, -0.0010960600000000 ] - [ -0.0006858600000000, -0.0001695400000000, -0.0010692100000000 ] - [ -0.0428075400000000, -0.0719596000000000, 0.1152847200000000 ] - [ -0.0042791700000000, 0.0008569200000000, -0.0010865800000000 ] - [ 0.0008431300000000, 0.0009775900000000, -0.0017378300000000 ] - [ 0.0000733700000000, -0.0000122500000000, -0.0007377200000000 ] - [ -0.0000450100000000, 0.0001632500000000, -0.0007310400000000 ] - [ 0.0000909000000000, 0.0001049500000000, 0.0016546000000000 ] - [ -0.0000747700000000, -0.0000919500000000, -0.0026308100000000 ] - [ -0.0001110000000000, 0.0000932000000000, -0.0014781900000000 ] - [ -0.0000220900000000, -0.0000273600000000, -0.0013363100000000 ] - [ -0.0019132800000000, 0.0009249900000000, 0.0001079600000000 ] - [ -0.0000900700000000, -0.0000577700000000, -0.0004777600000000 ] - [ -0.0000649600000000, 0.0001042100000000, 0.0001670800000000 ] - [ -0.0000612700000000, -0.0001085600000000, 0.0001707700000000 ] - [ 0.0000864100000000, 0.0000024600000000, 0.0004539200000000 ] - [ 0.0016921200000000, -0.0005005700000000, 0.0004034900000000 ] - [ 0.0001334000000000, 0.0000132800000000, 0.0004417600000000 ] - [ 0.0003320800000000, 0.0000043900000000, 0.0005938900000000 ] - [ 0.0000160500000000, -0.0000118500000000, 0.0013058300000000 ] - [ -0.0001043300000000, -0.0002162600000000, -0.0004600500000000 ] - [ 0.0000698900000000, 0.0001112700000000, -0.0005699000000000 ] - [ 0.0081698500000000, 0.0058365700000000, -0.0168720000000000 ] - [ 0.0572606000000000, 0.0975952600000000, -0.1151593400000000 ] - [ 0.0003433700000000, -0.0001594800000000, -0.0001679400000000 ] - [ 0.0001437400000000, 0.0000250900000000, 0.0008418200000000 ] - [ -0.0003406600000000, 0.0003372400000000, 0.0005561500000000 ] - [ 0.0006398100000000, 0.0000247900000000, 0.0008209200000000 ] - [ -0.0014027000000000, -0.0009586900000000, -0.0007599400000000 ] - [ 0.0013084100000000, -0.0010784100000000, -0.0006739000000000 ] - [ 0.0000002600000000, -0.0001596700000000, 0.0005823900000000 ] - [ -0.0003406700000000, -0.0000011500000000, -0.0006674900000000 ] - [ -0.0000291500000000, 0.0015614900000000, -0.0008430000000000 ] - [ 0.0007962500000000, -0.0001624400000000, -0.0002955200000000 ] - [ 0.0001905400000000, 0.0002881600000000, 0.0000492400000000 ] - [ 0.0004488200000000, 0.0000998100000000, 0.0005556800000000 ] - [ -0.0011704500000000, 0.0009120500000000, -0.0000609900000000 ] - [ -0.0001371700000000, -0.0001666100000000, -0.0012609900000000 ] - [ -0.0000383900000000, 0.0001600400000000, -0.0007905800000000 ] - [ -0.0001701500000000, -0.0001757600000000, 0.0012117200000000 ] - [ 0.0000552300000000, -0.0000603700000000, 0.0000162200000000 ] - [ -0.0000067400000000, 0.0001493600000000, 0.0006289500000000 ] - [ 0.0007395200000000, -0.0001108600000000, 0.0008345700000000 ] - [ -0.0000459000000000, 0.0003228100000000, 0.0005702800000000 ] - [ -0.0002058900000000, -0.0003580600000000, -0.0002991500000000 ] - [ -0.0002077200000000, 0.0000581800000000, 0.0010360100000000 ] - [ 0.0009259300000000, -0.0001459500000000, -0.0000254700000000 ] - [ 0.0003619900000000, 0.0000911300000000, 0.0001998200000000 ] - [ 0.0001174200000000, -0.0002675800000000, -0.0006294200000000 ] - [ -0.0005197300000000, -0.0002429300000000, 0.0002340800000000 ] - [ -0.0003792900000000, -0.0005936000000000, 0.0009624500000000 ] - [ -0.0002510800000000, 0.0000400500000000, -0.0008525300000000 ] - [ -0.0002169800000000, -0.0004145500000000, 0.0005717800000000 ] - [ 0.0000796000000000, 0.0000117700000000, 0.0012082600000000 ] - [ 0.0001887400000000, -0.0006343600000000, -0.0008214800000000 ] - [ 0.0000446200000000, 0.0000762800000000, 0.0005341200000000 ] - [ 0.0026648600000000, -0.0021390900000000, 0.0012372000000000 ] - [ -0.0002300300000000, 0.0004088200000000, 0.0005977200000000 ] - [ -0.0000414200000000, 0.0001598600000000, 0.0004591200000000 ] - [ -0.0000138100000000, 0.0002124100000000, 0.0002483300000000 ] - [ 0.0004454800000000, 0.0072594300000000, -0.0172593900000000 ] - [ -0.0000987800000000, -0.0001522900000000, 0.0004265700000000 ] - [ -0.0003721700000000, 0.0006384900000000, 0.0008035900000000 ] - [ -0.0000744000000000, 0.0000889800000000, -0.0012652800000000 ] - [ -0.0000004000000000, 0.0000001100000000, 0.0012408800000000 ] - [ -0.0228335700000000, -0.0372367500000000, 0.0228736500000000 ] - [ 0.0000947500000000, -0.0000957800000000, 0.0006259900000000 ] - [ -0.0006069800000000, -0.0002492200000000, -0.0009956700000000 ] - [ -0.0000567300000000, -0.0004421200000000, 0.0001993100000000 ] - [ -0.0000353900000000, -0.0000148400000000, 0.0004996200000000 ] - [ -0.0000276200000000, -0.0000273800000000, -0.0001480900000000 ] - [ -0.0000798500000000, 0.0000359000000000, 0.0003729300000000 ] - [ -0.0003704700000000, -0.0005955000000000, 0.0008005600000000 ] - [ -0.0030947800000000, 0.0009750700000000, 0.0005710500000000 ] - [ 0.0001647900000000, -0.0000169100000000, 0.0004343900000000 ] - [ -0.0000599600000000, -0.0003385100000000, 0.0006021500000000 ] - [ -0.0010006900000000, -0.0004427400000000, -0.0000793900000000 ] - [ 0.0000958700000000, 0.0001664900000000, 0.0000176100000000 ] - [ -0.0000198900000000, -0.0000529600000000, 0.0001967700000000 ] - [ -0.0000014700000000, -0.0000003000000000, 0.0005857900000000 ] - [ 0.0000977900000000, 0.0000968300000000, -0.0000078100000000 ] - [ -0.0003393300000000, 0.0004419900000000, -0.0007091500000000 ] - [ -0.0000606800000000, -0.0017192800000000, -0.0007605500000000 ] - [ 0.0001236400000000, 0.0002260300000000, -0.0006424400000000 ] - [ 0.0001913700000000, -0.0001281800000000, 0.0001267500000000 ] - [ 0.0011630900000000, 0.0001778100000000, -0.0003765900000000 ] - [ -0.0018974400000000, 0.0009609400000000, -0.0007055500000000 ] - [ -0.0000247800000000, -0.0003365300000000, -0.0008511100000000 ] - [ -0.0000044700000000, -0.0002154300000000, -0.0007620800000000 ] - [ 0.0000534300000000, 0.0000033700000000, 0.0005643400000000 ] - [ 0.0004536000000000, -0.0001055400000000, 0.0005775900000000 ] - [ 0.0000079600000000, -0.0000447500000000, 0.0005007600000000 ] - [ -0.0000483900000000, 0.0000364100000000, 0.0008348600000000 ] - [ -0.0012003600000000, 0.0003903600000000, -0.0010349800000000 ] - [ -0.0002133700000000, 0.0000578900000000, 0.0001262300000000 ] - [ -0.0000131500000000, 0.0002473100000000, 0.0013223100000000 ] - [ 0.0000169100000000, -0.0000207300000000, 0.0005420500000000 ] - [ -0.0003393400000000, -0.0003177300000000, 0.0005512400000000 ] - [ -0.0000392800000000, 0.0000621500000000, 0.0001973800000000 ] - [ 0.0000401700000000, -0.0002271400000000, 0.0014054100000000 ] - [ 0.0011312300000000, 0.0018468200000000, -0.0010898500000000 ] - [ -0.0000648400000000, -0.0001138900000000, 0.0004296400000000 ] - [ -0.0000779200000000, -0.0001520500000000, 0.0000718600000000 ] - [ -0.0001929700000000, 0.0000910900000000, 0.0008017500000000 ] - [ 0.0002466400000000, 0.0003722400000000, 0.0003024600000000 ] - [ -0.0000391200000000, -0.0001240600000000, 0.0000530000000000 ] - [ -0.0004274200000000, 0.0000174700000000, 0.0001540400000000 ] - [ 0.0000791000000000, 0.0001704500000000, 0.0004389100000000 ] - [ 0.0001537100000000, -0.0001440200000000, -0.0007198100000000 ] - [ 0.0001885200000000, 0.0000782900000000, -0.0008834200000000 ] - [ -0.0003147500000000, 0.0000085600000000, -0.0008566200000000 ] - [ 0.0002338000000000, -0.0003213300000000, 0.0001567800000000 ] - [ -0.0000102200000000, 0.0001414100000000, -0.0008116100000000 ] - [ 0.0001056200000000, -0.0002308800000000, 0.0004415000000000 ] - [ -0.0022096700000000, -0.0035624500000000, -0.0000448200000000 ] - [ 0.0001335900000000, 0.0000177500000000, 0.0005879600000000 ] - [ 0.0009449200000000, 0.0014810300000000, 0.0022675600000000 ] - [ -0.0000670800000000, 0.0001016200000000, 0.0004297700000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000207500000000, 0.0002067900000000, 0.0005405200000000 ] - [ 0.0002196600000000, 0.0002581100000000, 0.0005577400000000 ] - [ -0.0000227300000000, 0.0000455200000000, 0.0004676900000000 ] - [ -0.0002877300000000, 0.0000284900000000, 0.0004587300000000 ] - [ -0.0001962700000000, 0.0002827100000000, 0.0000725200000000 ] - [ -0.0002821600000000, -0.0001218500000000, -0.0002430000000000 ] - [ -0.0004211100000000, -0.0003788600000000, -0.0000472900000000 ] - [ -0.0002785400000000, -0.0002552400000000, 0.0000998700000000 ] - [ -0.0000421500000000, 0.0000393000000000, 0.0004463700000000 ] - [ -0.0001023500000000, 0.0020523400000000, -0.0000413600000000 ] - [ -0.0003077500000000, -0.0000038400000000, 0.0004903900000000 ] - [ 0.0001300400000000, 0.0001733500000000, 0.0003426200000000 ] - [ 0.0000602000000000, -0.0001445700000000, -0.0014890300000000 ] - [ 0.0000012300000000, -0.0000537200000000, 0.0005826200000000 ] - [ 0.0003694300000000, -0.0000792900000000, 0.0001506300000000 ] - [ 0.0002072000000000, -0.0002721100000000, 0.0005041900000000 ] - [ 0.0001483500000000, 0.0000086600000000, 0.0003933300000000 ] - [ 0.0001126300000000, 0.0004103500000000, 0.0005142800000000 ] - [ 0.0018390400000000, -0.0023462000000000, 0.0005349400000000 ] - [ -0.0004235300000000, 0.0003257700000000, -0.0010698200000000 ] - [ 0.0002311400000000, -0.0000074900000000, -0.0002443300000000 ] - [ 0.0003475200000000, -0.0000341300000000, -0.0001880800000000 ] - [ 0.0000214100000000, -0.0002298400000000, 0.0005479200000000 ] - [ 0.0001699300000000, 0.0000102800000000, 0.0006262600000000 ] - [ -0.0030322700000000, 0.0003105200000000, 0.0009401500000000 ] - [ -0.0003376700000000, -0.0006105200000000, -0.0013213900000000 ] - [ -0.0015699600000000, -0.0003966400000000, -0.0032608700000000 ] - [ -0.0000453400000000, 0.0000054400000000, 0.0007496100000000 ] - [ 0.0001829900000000, 0.0001287100000000, 0.0005455200000000 ] - [ 0.0000072200000000, 0.0000604900000000, 0.0005905700000000 ] - [ 0.0015681700000000, 0.0007030300000000, -0.0001092100000000 ] - [ -0.0000078100000000, 0.0002192800000000, 0.0006063700000000 ] - [ -0.0000166000000000, 0.0000159600000000, 0.0006322400000000 ] - [ 0.0000505100000000, -0.0000499600000000, 0.0005893900000000 ] - [ 0.0001618000000000, -0.0000369100000000, 0.0000499900000000 ] - [ -0.0001122400000000, -0.0000404100000000, 0.0003603600000000 ] - [ -0.0002767400000000, -0.0005342500000000, 0.0000207600000000 ] - [ 0.0002245600000000, 0.0001096500000000, 0.0006847400000000 ] - [ -0.0000165200000000, -0.0004047800000000, -0.0002119800000000 ] - [ -0.0000430600000000, -0.0001094100000000, 0.0003935500000000 ] - [ 0.0005529000000000, -0.0013631900000000, -0.0031434500000000 ] - [ 0.0001503900000000, -0.0004352200000000, 0.0004818000000000 ] - [ 0.0001078100000000, 0.0001116100000000, -0.0012966500000000 ] - [ -0.0000837200000000, 0.0001866300000000, -0.0002345000000000 ] - [ 0.0016905100000000, 0.0025871900000000, 0.0031426100000000 ] - [ 0.0001702300000000, -0.0001320100000000, 0.0005396400000000 ] - [ -0.0000776800000000, 0.0001569200000000, -0.0010411000000000 ] - [ -0.0003480500000000, -0.0002242100000000, -0.0001919900000000 ] - [ -0.0002985600000000, 0.0002403500000000, -0.0001937600000000 ] - [ -0.0001150100000000, 0.0000230200000000, -0.0009182400000000 ] - [ -0.0000625700000000, 0.0000720800000000, 0.0006667700000000 ] - [ -0.0002603900000000, 0.0002132100000000, 0.0006957000000000 ] - [ -0.0001338400000000, 0.0000460300000000, 0.0003164100000000 ] - [ -0.0002035700000000, 0.0000715400000000, 0.0000454100000000 ] - [ -0.0000321100000000, -0.0000489000000000, 0.0004682700000000 ] - [ 0.0005044500000000, 0.0000687200000000, -0.0001405500000000 ] - [ -0.0003785600000000, -0.0005963700000000, -0.0029250000000000 ] - [ -0.0002663900000000, -0.0001979800000000, 0.0006836600000000 ] - [ -0.0000625900000000, -0.0003739600000000, 0.0000607200000000 ] - [ -0.0001531800000000, 0.0005073800000000, 0.0001164600000000 ] - [ 0.0004570700000000, -0.0003358600000000, -0.0010045400000000 ] - [ -0.0001347300000000, -0.0003729700000000, 0.0002203300000000 ] - [ 0.0001656800000000, 0.0000333300000000, 0.0004793800000000 ] - [ 0.0000775700000000, 0.0000575500000000, 0.0013927600000000 ] - [ -0.0000845200000000, 0.0000843500000000, 0.0007139000000000 ] - [ -0.0001921400000000, -0.0002690900000000, -0.0002583300000000 ] - [ -0.0015915800000000, 0.0015524100000000, -0.0022906000000000 ] - [ -0.0002334500000000, 0.0000313100000000, -0.0016945600000000 ] - [ -0.0009069900000000, -0.0016950000000000, -0.0020325300000000 ] - [ -0.0000744000000000, 0.0000433700000000, 0.0016182100000000 ] - [ -0.0042722000000000, 0.0004848600000000, -0.0015500500000000 ] - [ 0.0000379400000000, 0.0006243700000000, 0.0006294000000000 ] - [ 0.0002181200000000, 0.0001668900000000, 0.0005963800000000 ] - [ 0.0428226800000000, 0.0729405000000000, -0.1148146800000000 ] - [ 0.0042301500000000, -0.0008527200000000, 0.0012466400000000 ] - [ -0.0006048100000000, -0.0013685900000000, 0.0012566200000000 ] - [ -0.0001778200000000, 0.0000114800000000, 0.0013253600000000 ] - [ 0.0001012200000000, -0.0000671900000000, 0.0013243100000000 ] - [ 0.0001900400000000, -0.0005851700000000, -0.0017544100000000 ] - [ 0.0002079200000000, 0.0000906100000000, 0.0028721400000000 ] - [ 0.0001251600000000, -0.0001013100000000, 0.0008827200000000 ] - [ 0.0000067900000000, 0.0000361000000000, 0.0007426900000000 ] - [ 0.0019153500000000, -0.0009336600000000, 0.0005891800000000 ] - [ 0.0000230000000000, -0.0000591800000000, 0.0007128300000000 ] - [ 0.0000637300000000, -0.0001082900000000, -0.0004053900000000 ] - [ 0.0000587800000000, 0.0001059200000000, -0.0004092300000000 ] - [ -0.0000846000000000, 0.0000016000000000, -0.0001252600000000 ] - [ -0.0015808700000000, 0.0003078700000000, -0.0001515600000000 ] - [ 0.0002921500000000, 0.0001640600000000, 0.0001077700000000 ] - [ 0.0002947000000000, -0.0000088000000000, -0.0001681800000000 ] - [ -0.0000166300000000, 0.0000107600000000, -0.0002399400000000 ] - [ 0.0002964600000000, 0.0004816200000000, -0.0001897900000000 ] - [ 0.0000851700000000, 0.0001562100000000, 0.0004753000000000 ] - [ -0.0085986800000000, -0.0060025100000000, 0.0168073400000000 ] - [ -0.0578146400000000, -0.0988003400000000, 0.1142376800000000 ] - [ -0.0003455700000000, 0.0001587400000000, -0.0006442700000000 ] - [ -0.0000602200000000, -0.0000290700000000, -0.0003941000000000 ] - [ -0.0001609300000000, 0.0000527600000000, -0.0001799900000000 ] - [ 0.0004653400000000, -0.0000194700000000, -0.0000172800000000 ] - [ -0.0002564400000000, 0.0009097900000000, -0.0002024200000000 ] - [ -0.0010946100000000, 0.0007948600000000, 0.0000203100000000 ] - [ -0.0000928200000000, 0.0000000300000000, -0.0007789400000000 ] - [ -0.0000077800000000, 0.0000305500000000, 0.0000069000000000 ] - [ 0.0008998800000000, -0.0001535100000000, -0.0001231200000000 ] - [ -0.0010272100000000, 0.0001660900000000, 0.0005499700000000 ] - [ 0.0000799700000000, 0.0001579200000000, -0.0002969800000000 ] - [ 0.0001152200000000, 0.0001412600000000, -0.0001789400000000 ] - [ 0.0010368800000000, -0.0006907900000000, 0.0000639600000000 ] - [ 0.0000019400000000, -0.0000647200000000, 0.0008906200000000 ] - [ 0.0000321400000000, 0.0001437400000000, 0.0002918200000000 ] - [ 0.0001235900000000, 0.0002433200000000, -0.0007596100000000 ] - [ 0.0001733700000000, -0.0003279500000000, -0.0003519200000000 ] - [ -0.0000873000000000, -0.0000017600000000, -0.0008251900000000 ] - [ -0.0007298400000000, 0.0001140200000000, -0.0008640200000000 ] - [ -0.0000275900000000, 0.0002863000000000, -0.0001936600000000 ] - [ 0.0001989300000000, 0.0003476500000000, 0.0019403200000000 ] - [ -0.0002418800000000, -0.0000547400000000, -0.0013753600000000 ] - [ -0.0008094500000000, 0.0003476800000000, 0.0002826300000000 ] - [ -0.0005719600000000, -0.0000983100000000, -0.0005351600000000 ] - [ 0.0000155500000000, -0.0000467900000000, -0.0000279100000000 ] - [ -0.0000050200000000, 0.0002473000000000, -0.0004789700000000 ] - [ 0.0006247300000000, 0.0010424600000000, -0.0012006500000000 ] - [ -0.0000067700000000, 0.0001224600000000, 0.0003503500000000 ] - [ -0.0000977300000000, -0.0001304700000000, -0.0001441400000000 ] - [ 0.0000510900000000, -0.0000057000000000, -0.0017200800000000 ] - [ -0.0000267200000000, 0.0003660900000000, 0.0007253200000000 ] - [ -0.0001222200000000, -0.0002214900000000, -0.0002166400000000 ] - [ -0.0029687400000000, 0.0020825300000000, -0.0018695300000000 ] - [ -0.0000871000000000, 0.0001311200000000, -0.0001716800000000 ] - [ -0.0003304700000000, 0.0001166700000000, 0.0000911200000000 ] - [ 0.0002705800000000, -0.0006866500000000, -0.0004968200000000 ] - [ -0.0002636700000000, -0.0075984200000000, 0.0168092500000000 ] - [ -0.0002540100000000, -0.0001187900000000, 0.0001208700000000 ] - [ -0.0001768900000000, 0.0003222700000000, 0.0000000700000000 ] - [ -0.0000555300000000, 0.0001493800000000, 0.0008987500000000 ] - [ 0.0000000800000000, -0.0000011800000000, -0.0001756900000000 ] - [ 0.0236168300000000, 0.0380489600000000, -0.0240094800000000 ] - [ -0.0001802200000000, 0.0002495700000000, -0.0003112000000000 ] - [ 0.0003381900000000, 0.0000907100000000, 0.0004951100000000 ] - [ 0.0001550500000000, 0.0002494600000000, -0.0005333500000000 ] - [ 0.0002125800000000, 0.0000170900000000, -0.0001862700000000 ] - [ 0.0000276000000000, 0.0000281000000000, 0.0001053200000000 ] - [ 0.0000809400000000, -0.0000321700000000, -0.0012419300000000 ] - [ -0.0001806800000000, -0.0003585800000000, 0.0000032000000000 ] - [ 0.0033119800000000, -0.0009630500000000, -0.0005592300000000 ] - [ 0.0002602200000000, -0.0001663400000000, 0.0001161000000000 ] - [ -0.0000144900000000, -0.0002827700000000, -0.0002255800000000 ] - [ 0.0008710200000000, 0.0002302900000000, 0.0000818200000000 ] - [ 0.0000069800000000, 0.0000105000000000, -0.0003532000000000 ] - [ -0.0000403000000000, -0.0000510500000000, -0.0007048600000000 ] - [ 0.0001767400000000, -0.0000069900000000, -0.0007822600000000 ] - [ 0.0001276800000000, 0.0002941300000000, -0.0003287700000000 ] - [ 0.0003384100000000, -0.0004426200000000, 0.0023401900000000 ] - [ 0.0009274900000000, 0.0003085000000000, -0.0002024500000000 ] - [ 0.0006598200000000, 0.0012274600000000, -0.0003211700000000 ] - [ 0.0000761000000000, -0.0003199100000000, -0.0003731100000000 ] - [ -0.0010131000000000, 0.0001379000000000, -0.0002781600000000 ] - [ 0.0002450800000000, -0.0009210200000000, -0.0002613200000000 ] - [ 0.0000168200000000, 0.0000320500000000, 0.0003516800000000 ] - [ 0.0007911300000000, -0.0012502300000000, -0.0002031600000000 ] - [ -0.0001401700000000, -0.0001436800000000, -0.0002461600000000 ] - [ 0.0001348100000000, -0.0001340200000000, -0.0002012400000000 ] - [ -0.0000907600000000, 0.0001787700000000, -0.0001818100000000 ] - [ 0.0000039900000000, -0.0001129600000000, -0.0003862700000000 ] - [ 0.0011909700000000, -0.0003897000000000, 0.0009455100000000 ] - [ -0.0003276800000000, -0.0000735900000000, -0.0003745700000000 ] - [ -0.0000462000000000, 0.0002096800000000, -0.0007755700000000 ] - [ 0.0001409900000000, 0.0000161500000000, -0.0002224700000000 ] - [ -0.0001609200000000, -0.0000568500000000, -0.0001749400000000 ] - [ -0.0000206700000000, 0.0000540600000000, -0.0007052700000000 ] - [ -0.0000995700000000, -0.0002131100000000, -0.0008615900000000 ] - [ -0.0010921200000000, -0.0019402400000000, 0.0010382700000000 ] - [ -0.0000511400000000, -0.0000869300000000, -0.0002319300000000 ] - [ 0.0000734200000000, 0.0001330300000000, 0.0000842800000000 ] - [ -0.0002641700000000, -0.0000841400000000, -0.0004616700000000 ] - [ -0.0002207600000000, -0.0004213800000000, -0.0002697900000000 ] - [ 0.0000358500000000, 0.0001173400000000, 0.0001014200000000 ] - [ 0.0003739900000000, -0.0000180000000000, -0.0001178000000000 ] - [ 0.0001536100000000, 0.0002330500000000, -0.0001030000000000 ] - [ -0.0001034100000000, 0.0002085400000000, 0.0006738200000000 ] - [ -0.0001614300000000, -0.0000561400000000, 0.0001695500000000 ] - [ 0.0002063300000000, -0.0000129400000000, 0.0008182300000000 ] - [ -0.0002083300000000, 0.0003673200000000, -0.0001227000000000 ] - [ -0.0000162900000000, -0.0001311600000000, 0.0000957500000000 ] - [ 0.0001279400000000, -0.0001628400000000, -0.0001041300000000 ] - [ 0.0022058200000000, 0.0035232700000000, -0.0006512200000000 ] - [ 0.0001051700000000, -0.0000149100000000, -0.0003916700000000 ] - [ -0.0009448500000000, -0.0014721600000000, -0.0020887500000000 ] - [ -0.0000500300000000, 0.0001063500000000, -0.0002330000000000 ]- atom: 96 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000703500000000, 0.0001265700000000, 0.0001320100000000 ] - [ 0.0025297000000000, -0.0003479300000000, 0.0004470000000000 ] - [ 0.0001262900000000, 0.0000270100000000, -0.0000059100000000 ] - [ -0.0008721300000000, -0.0002953400000000, -0.0001198400000000 ] - [ -0.0001008200000000, 0.0002278200000000, -0.0002131800000000 ] - [ -0.0001056200000000, -0.0001198500000000, 0.0001706100000000 ] - [ 0.0003113200000000, 0.0000101700000000, -0.0000247600000000 ] - [ -0.0001008200000000, -0.0002278200000000, -0.0002131800000000 ] - [ -0.0000764900000000, 0.0001508900000000, 0.0000668300000000 ] - [ -0.0001253500000000, 0.0001666300000000, -0.0001571800000000 ] - [ -0.0008721300000000, 0.0002953400000000, -0.0001198400000000 ] - [ -0.0000930000000000, -0.0002204600000000, -0.0001350600000000 ] - [ -0.0005315900000000, -0.0004187200000000, -0.0000522000000000 ] - [ 0.0000255700000000, -0.0000560000000000, 0.0002035200000000 ] - [ 0.0002070700000000, -0.0000729900000000, -0.0001211300000000 ] - [ 0.0025297000000000, 0.0003479300000000, 0.0004470000000000 ] - [ 0.0033401700000000, 0.0000000000000000, -0.0005206300000000 ] - [ -0.0001737800000000, 0.0007169300000000, 0.0002746100000000 ] - [ -0.0015274700000000, -0.0009855400000000, -0.0006387300000000 ] - [ -0.0005315900000000, 0.0004187200000000, -0.0000522000000000 ] - [ 0.0003113200000000, -0.0000101700000000, -0.0000247600000000 ] - [ 0.0010896300000000, -0.0007539100000000, 0.0003958100000000 ] - [ 0.0000703500000000, -0.0001265700000000, 0.0001320100000000 ] - [ 0.0002570700000000, 0.0000000000000000, 0.0004374900000000 ] - [ -0.0008975400000000, 0.0000000000000000, 0.0001752000000000 ] - [ -0.0000918600000000, 0.0000217100000000, -0.0004009800000000 ] - [ 0.0000401300000000, 0.0003730800000000, -0.0012929300000000 ] - [ -0.0000763400000000, -0.0000200400000000, 0.0002998500000000 ] - [ 0.0000653700000000, 0.0000192000000000, 0.0001060000000000 ] - [ 0.0000255700000000, 0.0000560000000000, 0.0002035200000000 ] - [ 0.0002129200000000, 0.0000000000000000, 0.0000124800000000 ] - [ 0.0002704000000000, 0.0000000000000000, -0.0002336100000000 ] - [ 0.0000992700000000, 0.0000489200000000, 0.0002572400000000 ] - [ 0.0000992700000000, -0.0000489200000000, 0.0002572400000000 ] - [ 0.0002070700000000, 0.0000729900000000, -0.0001211300000000 ] - [ -0.0000384500000000, 0.0002109000000000, 0.0002110800000000 ] - [ -0.0002160800000000, 0.0004019400000000, 0.0000252400000000 ] - [ -0.0000930000000000, 0.0002204600000000, -0.0001350600000000 ] - [ -0.0002160800000000, -0.0004019400000000, 0.0000252400000000 ] - [ -0.0000764900000000, -0.0001508900000000, 0.0000668300000000 ] - [ 0.0000430900000000, 0.0002304900000000, -0.0004270600000000 ] - [ -0.0001737800000000, -0.0007169300000000, 0.0002746100000000 ] - [ 0.0000401300000000, -0.0003730800000000, -0.0012929300000000 ] - [ -0.0001056200000000, 0.0001198500000000, 0.0001706100000000 ] - [ -0.0015274700000000, 0.0009855400000000, -0.0006387300000000 ] - [ 0.0000653700000000, -0.0000192000000000, 0.0001060000000000 ] - [ -0.0000918600000000, -0.0000217100000000, -0.0004009800000000 ] - [ -0.0020891200000000, 0.0019026100000000, 0.0003875600000000 ] - [ -0.0020891200000000, -0.0019026100000000, 0.0003875600000000 ] - [ -0.0002798100000000, 0.0000000000000000, 0.0021167100000000 ] - [ -0.0000763400000000, 0.0000200400000000, 0.0002998500000000 ] - [ -0.0003973400000000, 0.0002054800000000, 0.0004102100000000 ] - [ -0.0000384500000000, -0.0002109000000000, 0.0002110800000000 ] - [ -0.0001493300000000, 0.0001550700000000, -0.0001251500000000 ] - [ 0.0001262900000000, -0.0000270100000000, -0.0000059100000000 ] - [ 0.0010896300000000, 0.0007539100000000, 0.0003958100000000 ] - [ -0.0001253500000000, -0.0001666300000000, -0.0001571800000000 ] - [ -0.0003973400000000, -0.0002054800000000, 0.0004102100000000 ] - [ -0.0002587300000000, -0.0006084800000000, 0.0003464700000000 ] - [ -0.0002587300000000, 0.0006084800000000, 0.0003464700000000 ] - [ 0.0000430900000000, -0.0002304900000000, -0.0004270600000000 ] - [ -0.0001493300000000, -0.0001550700000000, -0.0001251500000000 ] - [ 0.0000704600000000, 0.0000000000000000, 0.0000501700000000 ] - [ 0.0001899200000000, 0.0002273300000000, 0.0008736900000000 ] - [ 0.0017616400000000, 0.0034613100000000, -0.0010180000000000 ] - [ -0.0001891800000000, 0.0001096600000000, 0.0000849800000000 ] - [ -0.0009804500000000, -0.0007046000000000, -0.0004984100000000 ] - [ 0.0013304600000000, -0.0011120200000000, 0.0005295200000000 ] - [ -0.0009804500000000, 0.0007046000000000, -0.0004984100000000 ] - [ 0.0001180700000000, 0.0000000000000000, 0.0004538700000000 ] - [ 0.0002377700000000, 0.0000000000000000, -0.0003267200000000 ] - [ 0.0001369700000000, 0.0001576500000000, -0.0002336100000000 ] - [ -0.0002913400000000, 0.0000000000000000, -0.0002265100000000 ] - [ -0.0014267400000000, 0.0000000000000000, -0.0012179000000000 ] - [ -0.0001891800000000, -0.0001096600000000, 0.0000849800000000 ] - [ 0.0001369700000000, -0.0001576500000000, -0.0002336100000000 ] - [ -0.0003577600000000, 0.0000000000000000, -0.0008524300000000 ] - [ 0.0001899200000000, -0.0002273300000000, 0.0008736900000000 ] - [ 0.0013304600000000, 0.0011120200000000, 0.0005295200000000 ] - [ -0.0040591400000000, 0.0000000000000000, 0.0023930200000000 ] - [ -0.0000542400000000, 0.0000018900000000, -0.0002947700000000 ] - [ -0.0000542400000000, -0.0000018900000000, -0.0002947700000000 ] - [ 0.0881922900000000, 0.0000000000000000, -0.0006056900000000 ] - [ 0.0017616400000000, -0.0034613100000000, -0.0010180000000000 ] - [ 0.0002039900000000, -0.0000845300000000, -0.0001199200000000 ] - [ 0.0002039900000000, 0.0000845300000000, -0.0001199200000000 ] - [ -0.0015165800000000, 0.0000000000000000, 0.0001561900000000 ] - [ -0.0115814900000000, -0.0094994300000000, 0.0220980400000000 ] - [ 0.0003123800000000, -0.0026796000000000, 0.0014352400000000 ] - [ 0.0007459400000000, 0.0000000000000000, 0.0004868100000000 ] - [ 0.0000317500000000, 0.0000000500000000, 0.0005333200000000 ] - [ 0.0001286200000000, 0.0000965900000000, -0.0003259500000000 ] - [ 0.0000652000000000, 0.0006630200000000, -0.0002160100000000 ] - [ 0.0007529000000000, 0.0000000000000000, 0.0002945500000000 ] - [ 0.0004880300000000, 0.0000919900000000, 0.0000955000000000 ] - [ -0.0782856700000000, 0.0000000000000000, 0.0003922000000000 ] - [ 0.0000561000000000, 0.0000000000000000, 0.0002440500000000 ] - [ -0.0002545100000000, 0.0002664800000000, 0.0004475000000000 ] - [ 0.0004802200000000, 0.0000000000000000, 0.0003757900000000 ] - [ -0.0001895000000000, 0.0000490000000000, -0.0003503500000000 ] - [ 0.0001286200000000, -0.0000965900000000, -0.0003259500000000 ] - [ -0.0000928400000000, 0.0001975800000000, -0.0005437800000000 ] - [ -0.0000523000000000, 0.0000379300000000, -0.0002773300000000 ] - [ 0.0011155900000000, 0.0012677000000000, -0.0005782800000000 ] - [ 0.0043922000000000, 0.0000000000000000, -0.0435167700000000 ] - [ 0.0001450500000000, 0.0002241000000000, -0.0001485700000000 ] - [ 0.0000876600000000, 0.0001574800000000, 0.0000714500000000 ] - [ -0.0001860000000000, 0.0001696800000000, 0.0000330800000000 ] - [ -0.0003942200000000, 0.0004396600000000, -0.0005699300000000 ] - [ -0.0002413100000000, -0.0008600900000000, -0.0005575700000000 ] - [ -0.0000290000000000, 0.0000241300000000, 0.0002175700000000 ] - [ 0.0000961500000000, -0.0014039800000000, -0.0002730800000000 ] - [ -0.0000928400000000, -0.0001975800000000, -0.0005437800000000 ] - [ 0.0000370800000000, 0.0000262300000000, -0.0000176900000000 ] - [ -0.0001077000000000, 0.0004283700000000, 0.0000434300000000 ] - [ 0.0002270900000000, -0.0001461400000000, 0.0008226600000000 ] - [ 0.0018528500000000, 0.0000000000000000, 0.0000425000000000 ] - [ -0.0115814900000000, 0.0094994300000000, 0.0220980400000000 ] - [ -0.0000604100000000, 0.0000000000000000, -0.0001697500000000 ] - [ 0.0001926700000000, -0.0002361400000000, -0.0003735600000000 ] - [ -0.0002892300000000, -0.0000013900000000, -0.0001242100000000 ] - [ 0.0001174200000000, 0.0002132300000000, -0.0001075800000000 ] - [ -0.0009192500000000, 0.0000782500000000, -0.0002829300000000 ] - [ -0.0000827700000000, -0.0000656200000000, 0.0000744300000000 ] - [ 0.0006347000000000, 0.0000000000000000, -0.0015164600000000 ] - [ 0.0000652000000000, -0.0006630200000000, -0.0002160100000000 ] - [ -0.0000120900000000, -0.0000652500000000, 0.0001523000000000 ] - [ -0.0000523000000000, -0.0000379300000000, -0.0002773300000000 ] - [ -0.0000827700000000, 0.0000656200000000, 0.0000744300000000 ] - [ -0.0012031100000000, 0.0007468900000000, 0.0002900700000000 ] - [ 0.0001174200000000, -0.0002132300000000, -0.0001075800000000 ] - [ 0.0004880300000000, -0.0000919900000000, 0.0000955000000000 ] - [ -0.0012031100000000, -0.0007468900000000, 0.0002900700000000 ] - [ -0.0003273000000000, 0.0004975100000000, 0.0004141700000000 ] - [ -0.0003942200000000, -0.0004396600000000, -0.0005699300000000 ] - [ 0.0000317500000000, -0.0000000500000000, 0.0005333200000000 ] - [ 0.0007681800000000, 0.0000000000000000, 0.0005730600000000 ] - [ -0.0000120900000000, 0.0000652500000000, 0.0001523000000000 ] - [ -0.0009192500000000, -0.0000782500000000, -0.0002829300000000 ] - [ 0.0000569300000000, -0.0001181800000000, -0.0001707400000000 ] - [ 0.0001192400000000, -0.0000103700000000, 0.0001548800000000 ] - [ 0.0000370800000000, -0.0000262300000000, -0.0000176900000000 ] - [ -0.0000269500000000, 0.0000000000000000, -0.0004489000000000 ] - [ -0.0003273000000000, -0.0004975100000000, 0.0004141700000000 ] - [ -0.0001102800000000, 0.0000000000000000, -0.0000672300000000 ] - [ 0.0003123800000000, 0.0026796000000000, 0.0014352400000000 ] - [ -0.0001077000000000, -0.0004283700000000, 0.0000434300000000 ] - [ -0.0001860000000000, -0.0001696800000000, 0.0000330800000000 ] - [ 0.0000569300000000, 0.0001181800000000, -0.0001707400000000 ] - [ -0.0003561200000000, 0.0004586200000000, 0.0003825400000000 ] - [ 0.0005125300000000, 0.0000000000000000, 0.0007695000000000 ] - [ 0.0000961500000000, 0.0014039800000000, -0.0002730800000000 ] - [ 0.0002270900000000, 0.0001461400000000, 0.0008226600000000 ] - [ 0.0011155900000000, -0.0012677000000000, -0.0005782800000000 ] - [ 0.0005086600000000, 0.0004580400000000, -0.0005238700000000 ] - [ 0.0001450500000000, -0.0002241000000000, -0.0001485700000000 ] - [ 0.0001926700000000, 0.0002361400000000, -0.0003735600000000 ] - [ -0.0001895000000000, -0.0000490000000000, -0.0003503500000000 ] - [ -0.0002413100000000, 0.0008600900000000, -0.0005575700000000 ] - [ 0.0005086600000000, -0.0004580400000000, -0.0005238700000000 ] - [ -0.0000354400000000, -0.0000714200000000, 0.0001596400000000 ] - [ 0.0000876600000000, -0.0001574800000000, 0.0000714500000000 ] - [ -0.0000354400000000, 0.0000714200000000, 0.0001596400000000 ] - [ -0.0000290000000000, -0.0000241300000000, 0.0002175700000000 ] - [ -0.0005597900000000, 0.0000000000000000, -0.0000522600000000 ] - [ -0.0002892300000000, 0.0000013900000000, -0.0001242100000000 ] - [ 0.0024622000000000, 0.0003386700000000, -0.0009078500000000 ] - [ 0.0001192400000000, 0.0000103700000000, 0.0001548800000000 ] - [ -0.0002545100000000, -0.0002664800000000, 0.0004475000000000 ] - [ -0.0003561200000000, -0.0004586200000000, 0.0003825400000000 ] - [ 0.0024622000000000, -0.0003386700000000, -0.0009078500000000 ] - [ 0.0003717100000000, -0.0007973400000000, 0.0002617900000000 ] - [ -0.0000811300000000, -0.0000539100000000, 0.0001691400000000 ] - [ -0.0000223800000000, -0.0000359900000000, 0.0000409700000000 ] - [ -0.0002174800000000, 0.0000000000000000, 0.0001532400000000 ] - [ 0.0001817100000000, -0.0012035900000000, -0.0001354600000000 ] - [ -0.0000223800000000, 0.0000359900000000, 0.0000409700000000 ] - [ 0.0021790400000000, 0.0000000000000000, 0.0003427800000000 ] - [ 0.0001085900000000, 0.0002123600000000, 0.0001704400000000 ] - [ 0.0003717100000000, 0.0007973400000000, 0.0002617900000000 ] - [ -0.0000014400000000, 0.0001437200000000, -0.0001656500000000 ] - [ 0.0016328600000000, 0.0000000000000000, -0.0005943700000000 ] - [ 0.0001817100000000, 0.0012035900000000, -0.0001354600000000 ] - [ 0.0002191700000000, 0.0000000000000000, -0.0007377900000000 ] - [ 0.0001085900000000, -0.0002123600000000, 0.0001704400000000 ] - [ -0.0000014400000000, -0.0001437200000000, -0.0001656500000000 ] - [ 0.0001792300000000, 0.0000000000000000, -0.0000524200000000 ] - [ 0.0000284300000000, 0.0000000000000000, 0.0001474400000000 ] - [ -0.0000811300000000, 0.0000539100000000, 0.0001691400000000 ]- atom: 96 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000175400000000, 0.0003010600000000, 0.0002984100000000 ] - [ -0.0026427900000000, 0.0005246100000000, -0.0001532900000000 ] - [ -0.0001824300000000, 0.0000770600000000, 0.0002868600000000 ] - [ 0.0008884300000000, 0.0000130300000000, 0.0003651300000000 ] - [ -0.0001518100000000, 0.0002165500000000, -0.0002255900000000 ] - [ -0.0001174200000000, -0.0002688200000000, -0.0001779300000000 ] - [ 0.0001418500000000, -0.0000055700000000, 0.0000160400000000 ] - [ -0.0001518100000000, -0.0002165500000000, -0.0002255900000000 ] - [ -0.0000541100000000, 0.0000869600000000, 0.0000538900000000 ] - [ -0.0001013500000000, 0.0002208300000000, 0.0001512100000000 ] - [ 0.0008884300000000, -0.0000130300000000, 0.0003651300000000 ] - [ -0.0000391800000000, -0.0002102900000000, -0.0001170400000000 ] - [ 0.0003324500000000, -0.0000026100000000, -0.0005364300000000 ] - [ -0.0000016400000000, -0.0001023200000000, 0.0003033700000000 ] - [ 0.0002238700000000, -0.0000325100000000, -0.0001349800000000 ] - [ -0.0026427900000000, -0.0005246100000000, -0.0001532900000000 ] - [ -0.0033452200000000, 0.0000000000000000, 0.0006791500000000 ] - [ 0.0004132200000000, -0.0005443900000000, -0.0000324700000000 ] - [ 0.0015095900000000, 0.0012802300000000, 0.0007257200000000 ] - [ 0.0003324500000000, 0.0000026100000000, -0.0005364300000000 ] - [ 0.0001418500000000, 0.0000055700000000, 0.0000160400000000 ] - [ -0.0008276800000000, 0.0008875600000000, -0.0002940300000000 ] - [ -0.0000175400000000, -0.0003010600000000, 0.0002984100000000 ] - [ -0.0001439300000000, 0.0000000000000000, -0.0001525300000000 ] - [ 0.0011763800000000, 0.0000000000000000, 0.0004028900000000 ] - [ -0.0001802800000000, -0.0003978500000000, -0.0001854200000000 ] - [ -0.0001470200000000, -0.0001873100000000, 0.0009821000000000 ] - [ -0.0000797100000000, -0.0000355900000000, 0.0002065600000000 ] - [ 0.0002743600000000, 0.0002340600000000, 0.0003249100000000 ] - [ -0.0000016400000000, 0.0001023200000000, 0.0003033700000000 ] - [ 0.0005356300000000, 0.0000000000000000, 0.0000310400000000 ] - [ 0.0002365100000000, 0.0000000000000000, -0.0002075900000000 ] - [ 0.0000310200000000, 0.0000524800000000, 0.0002473000000000 ] - [ 0.0000310200000000, -0.0000524800000000, 0.0002473000000000 ] - [ 0.0002238700000000, 0.0000325100000000, -0.0001349800000000 ] - [ -0.0002232100000000, -0.0003284900000000, 0.0000336800000000 ] - [ -0.0001645000000000, 0.0002451200000000, 0.0000166000000000 ] - [ -0.0000391800000000, 0.0002102900000000, -0.0001170400000000 ] - [ -0.0001645000000000, -0.0002451200000000, 0.0000166000000000 ] - [ -0.0000541100000000, -0.0000869600000000, 0.0000538900000000 ] - [ 0.0004278700000000, -0.0001764500000000, -0.0001599100000000 ] - [ 0.0004132200000000, 0.0005443900000000, -0.0000324700000000 ] - [ -0.0001470200000000, 0.0001873100000000, 0.0009821000000000 ] - [ -0.0001174200000000, 0.0002688200000000, -0.0001779300000000 ] - [ 0.0015095900000000, -0.0012802300000000, 0.0007257200000000 ] - [ 0.0002743600000000, -0.0002340600000000, 0.0003249100000000 ] - [ -0.0001802800000000, 0.0003978500000000, -0.0001854200000000 ] - [ 0.0018501900000000, -0.0020774200000000, -0.0002921100000000 ] - [ 0.0018501900000000, 0.0020774200000000, -0.0002921100000000 ] - [ 0.0005025200000000, 0.0000000000000000, -0.0024335100000000 ] - [ -0.0000797100000000, 0.0000355900000000, 0.0002065600000000 ] - [ 0.0000015500000000, -0.0000345600000000, 0.0000204900000000 ] - [ -0.0002232100000000, 0.0003284900000000, 0.0000336800000000 ] - [ -0.0001578800000000, 0.0001715200000000, -0.0001268900000000 ] - [ -0.0001824300000000, -0.0000770600000000, 0.0002868600000000 ] - [ -0.0008276800000000, -0.0008875600000000, -0.0002940300000000 ] - [ -0.0001013500000000, -0.0002208300000000, 0.0001512100000000 ] - [ 0.0000015500000000, 0.0000345600000000, 0.0000204900000000 ] - [ 0.0001240300000000, 0.0003675600000000, 0.0002320400000000 ] - [ 0.0001240300000000, -0.0003675600000000, 0.0002320400000000 ] - [ 0.0004278700000000, 0.0001764500000000, -0.0001599100000000 ] - [ -0.0001578800000000, -0.0001715200000000, -0.0001268900000000 ] - [ 0.0002066900000000, 0.0000000000000000, 0.0000683300000000 ] - [ -0.0001378800000000, -0.0003167600000000, -0.0002766000000000 ] - [ -0.0018356600000000, -0.0033644000000000, 0.0012527900000000 ] - [ 0.0001889800000000, -0.0001146200000000, 0.0000855600000000 ] - [ 0.0009815900000000, 0.0007079900000000, -0.0004988100000000 ] - [ -0.0010574200000000, 0.0015980500000000, -0.0006355800000000 ] - [ 0.0009815900000000, -0.0007079900000000, -0.0004988100000000 ] - [ -0.0001172700000000, 0.0000000000000000, 0.0004548300000000 ] - [ -0.0002391100000000, 0.0000000000000000, -0.0003263900000000 ] - [ 0.0000971500000000, 0.0002485300000000, -0.0002270100000000 ] - [ -0.0001740200000000, 0.0000000000000000, -0.0002374100000000 ] - [ 0.0008793400000000, 0.0000000000000000, 0.0011117600000000 ] - [ 0.0001889800000000, 0.0001146200000000, 0.0000855600000000 ] - [ 0.0000971500000000, -0.0002485300000000, -0.0002270100000000 ] - [ 0.0002568900000000, 0.0000000000000000, 0.0014492700000000 ] - [ -0.0001378800000000, 0.0003167600000000, -0.0002766000000000 ] - [ -0.0010574200000000, -0.0015980500000000, -0.0006355800000000 ] - [ 0.0041661900000000, 0.0000000000000000, -0.0021489100000000 ] - [ 0.0000544200000000, -0.0000107900000000, -0.0002938800000000 ] - [ 0.0000544200000000, 0.0000107900000000, -0.0002938800000000 ] - [ -0.0882176500000000, 0.0000000000000000, -0.0006059800000000 ] - [ -0.0018356600000000, 0.0033644000000000, 0.0012527900000000 ] - [ -0.0002059600000000, 0.0000832400000000, -0.0001196700000000 ] - [ -0.0002059600000000, -0.0000832400000000, -0.0001196700000000 ] - [ 0.0015147800000000, 0.0000000000000000, 0.0001560500000000 ] - [ 0.0115760000000000, 0.0091869200000000, -0.0218434700000000 ] - [ 0.0001112300000000, 0.0028806100000000, -0.0008889300000000 ] - [ -0.0001192800000000, 0.0000000000000000, -0.0000658500000000 ] - [ -0.0000323100000000, 0.0000000000000000, 0.0005307700000000 ] - [ 0.0000705200000000, 0.0001789500000000, -0.0003266000000000 ] - [ 0.0000930200000000, -0.0003988500000000, 0.0001232400000000 ] - [ -0.0010615400000000, 0.0000000000000000, -0.0003870600000000 ] - [ -0.0002290600000000, 0.0000479300000000, -0.0005946300000000 ] - [ 0.0789869900000000, 0.0000000000000000, 0.0003948000000000 ] - [ 0.0000266500000000, 0.0000000000000000, 0.0002058300000000 ] - [ -0.0002488600000000, 0.0001176300000000, -0.0000748200000000 ] - [ 0.0006316400000000, 0.0000000000000000, 0.0004249400000000 ] - [ -0.0014758300000000, -0.0000956500000000, -0.0006152400000000 ] - [ 0.0000705200000000, -0.0001789500000000, -0.0003266000000000 ] - [ 0.0000005300000000, -0.0003488300000000, 0.0003349700000000 ] - [ -0.0002831000000000, -0.0000023500000000, -0.0003741500000000 ] - [ -0.0002472800000000, 0.0001453400000000, -0.0003874100000000 ] - [ -0.0048084300000000, 0.0000000000000000, 0.0443735800000000 ] - [ 0.0001258500000000, 0.0002260500000000, -0.0001028700000000 ] - [ 0.0004920800000000, 0.0000842000000000, 0.0003022300000000 ] - [ 0.0000638600000000, 0.0000425600000000, -0.0000340500000000 ] - [ 0.0002653100000000, -0.0006737200000000, 0.0001943100000000 ] - [ 0.0002368000000000, 0.0011612800000000, 0.0000613300000000 ] - [ -0.0000157600000000, 0.0000490200000000, 0.0002327400000000 ] - [ 0.0001328400000000, 0.0010166800000000, -0.0000606800000000 ] - [ 0.0000005300000000, 0.0003488300000000, 0.0003349700000000 ] - [ -0.0000354600000000, -0.0000265800000000, -0.0000171600000000 ] - [ 0.0000330800000000, 0.0001904900000000, 0.0003299700000000 ] - [ -0.0002300500000000, 0.0001470800000000, 0.0008203800000000 ] - [ -0.0022976000000000, 0.0000000000000000, -0.0003750000000000 ] - [ 0.0115760000000000, -0.0091869200000000, -0.0218434700000000 ] - [ -0.0001562200000000, 0.0000000000000000, -0.0001697900000000 ] - [ -0.0000560800000000, -0.0000685700000000, -0.0002771800000000 ] - [ -0.0002467400000000, 0.0000130300000000, -0.0001285200000000 ] - [ 0.0001379300000000, 0.0002571700000000, -0.0001452800000000 ] - [ 0.0006697300000000, 0.0000794600000000, -0.0002150600000000 ] - [ -0.0002333900000000, -0.0004771400000000, 0.0003487000000000 ] - [ -0.0004999800000000, 0.0000000000000000, 0.0010097000000000 ] - [ 0.0000930200000000, 0.0003988500000000, 0.0001232400000000 ] - [ -0.0000727800000000, -0.0000903100000000, 0.0001572400000000 ] - [ -0.0002831000000000, 0.0000023500000000, -0.0003741500000000 ] - [ -0.0002333900000000, 0.0004771400000000, 0.0003487000000000 ] - [ 0.0008386100000000, -0.0004781400000000, 0.0002628800000000 ] - [ 0.0001379300000000, -0.0002571700000000, -0.0001452800000000 ] - [ -0.0002290600000000, -0.0000479300000000, -0.0005946300000000 ] - [ 0.0008386100000000, 0.0004781400000000, 0.0002628800000000 ] - [ -0.0002256100000000, 0.0004652200000000, 0.0003867600000000 ] - [ 0.0002653100000000, 0.0006737200000000, 0.0001943100000000 ] - [ -0.0000323100000000, 0.0000000000000000, 0.0005307700000000 ] - [ -0.0005016900000000, 0.0000000000000000, -0.0009449300000000 ] - [ -0.0000727800000000, 0.0000903100000000, 0.0001572400000000 ] - [ 0.0006697300000000, -0.0000794600000000, -0.0002150600000000 ] - [ 0.0000454500000000, -0.0000674700000000, -0.0001688000000000 ] - [ 0.0000541200000000, 0.0000141600000000, 0.0001556700000000 ] - [ -0.0000354600000000, 0.0000265800000000, -0.0000171600000000 ] - [ 0.0000290300000000, 0.0000000000000000, -0.0004451700000000 ] - [ -0.0002256100000000, -0.0004652200000000, 0.0003867600000000 ] - [ 0.0003579800000000, 0.0000000000000000, 0.0000670000000000 ] - [ 0.0001112300000000, -0.0028806100000000, -0.0008889300000000 ] - [ 0.0000330800000000, -0.0001904900000000, 0.0003299700000000 ] - [ 0.0000638600000000, -0.0000425600000000, -0.0000340500000000 ] - [ 0.0000454500000000, 0.0000674700000000, -0.0001688000000000 ] - [ 0.0002966100000000, -0.0005728200000000, -0.0008834200000000 ] - [ -0.0003401900000000, 0.0000000000000000, -0.0009812200000000 ] - [ 0.0001328400000000, -0.0010166800000000, -0.0000606800000000 ] - [ -0.0002300500000000, -0.0001470800000000, 0.0008203800000000 ] - [ -0.0002472800000000, -0.0001453400000000, -0.0003874100000000 ] - [ 0.0002789400000000, 0.0010091000000000, -0.0004425100000000 ] - [ 0.0001258500000000, -0.0002260500000000, -0.0001028700000000 ] - [ -0.0000560800000000, 0.0000685700000000, -0.0002771800000000 ] - [ -0.0014758300000000, 0.0000956500000000, -0.0006152400000000 ] - [ 0.0002368000000000, -0.0011612800000000, 0.0000613300000000 ] - [ 0.0002789400000000, -0.0010091000000000, -0.0004425100000000 ] - [ -0.0000527600000000, -0.0000711300000000, 0.0001527100000000 ] - [ 0.0004920800000000, -0.0000842000000000, 0.0003022300000000 ] - [ -0.0000527600000000, 0.0000711300000000, 0.0001527100000000 ] - [ -0.0000157600000000, -0.0000490200000000, 0.0002327400000000 ] - [ 0.0005602000000000, 0.0000000000000000, -0.0000516100000000 ] - [ -0.0002467400000000, -0.0000130300000000, -0.0001285200000000 ] - [ -0.0024967100000000, 0.0001102600000000, 0.0014500800000000 ] - [ 0.0000541200000000, -0.0000141600000000, 0.0001556700000000 ] - [ -0.0002488600000000, -0.0001176300000000, -0.0000748200000000 ] - [ 0.0002966100000000, 0.0005728200000000, -0.0008834200000000 ] - [ -0.0024967100000000, -0.0001102600000000, 0.0014500800000000 ] - [ -0.0003361900000000, 0.0007310500000000, -0.0003107400000000 ] - [ -0.0000350400000000, -0.0001502400000000, 0.0000222500000000 ] - [ 0.0000200700000000, 0.0000290500000000, 0.0001127800000000 ] - [ -0.0002419700000000, 0.0000000000000000, 0.0001772200000000 ] - [ -0.0001566400000000, 0.0011552700000000, 0.0001842600000000 ] - [ 0.0000200700000000, -0.0000290500000000, 0.0001127800000000 ] - [ -0.0022432900000000, 0.0000000000000000, -0.0002953500000000 ] - [ 0.0001258800000000, 0.0001879100000000, 0.0001596400000000 ] - [ -0.0003361900000000, -0.0007310500000000, -0.0003107400000000 ] - [ 0.0000155200000000, -0.0001271100000000, -0.0005472700000000 ] - [ -0.0017225500000000, 0.0000000000000000, 0.0005499400000000 ] - [ -0.0001566400000000, -0.0011552700000000, 0.0001842600000000 ] - [ -0.0002324000000000, 0.0000000000000000, 0.0000249000000000 ] - [ 0.0001258800000000, -0.0001879100000000, 0.0001596400000000 ] - [ 0.0000155200000000, 0.0001271100000000, -0.0005472700000000 ] - [ 0.0000592600000000, 0.0000000000000000, 0.0002424300000000 ] - [ -0.0000431800000000, 0.0000000000000000, 0.0000063700000000 ] - [ -0.0000350400000000, 0.0001502400000000, 0.0000222500000000 ]- atom: 96 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000899700000000, -0.0000637300000000, -0.0000889300000000 ] - [ 0.0014996100000000, -0.0025974000000000, 0.0020672200000000 ] - [ -0.0007926500000000, 0.0013729000000000, -0.0011410000000000 ] - [ -0.0003385700000000, -0.0002916500000000, 0.0010495100000000 ] - [ -0.0001333900000000, 0.0002310300000000, -0.0011869000000000 ] - [ 0.0001685400000000, -0.0003302000000000, -0.0008029400000000 ] - [ 0.0002016900000000, 0.0003110600000000, -0.0008029400000000 ] - [ -0.0001333900000000, -0.0002310300000000, -0.0011869000000000 ] - [ -0.0000996500000000, 0.0001725900000000, -0.0006342000000000 ] - [ -0.0003702300000000, 0.0000191400000000, -0.0008029400000000 ] - [ -0.0003385700000000, 0.0002916500000000, 0.0010495100000000 ] - [ -0.0000508900000000, -0.0001892600000000, -0.0008119700000000 ] - [ 0.0003159200000000, 0.0001797600000000, -0.0004249100000000 ] - [ -0.0001588600000000, -0.0000375900000000, -0.0005257300000000 ] - [ 0.0001893500000000, -0.0000505600000000, -0.0008119700000000 ] - [ 0.0014996100000000, 0.0025974000000000, 0.0020672200000000 ] - [ -0.0029992200000000, 0.0000000000000000, 0.0020672200000000 ] - [ 0.0004218600000000, -0.0001473800000000, 0.0010495100000000 ] - [ -0.0023624300000000, -0.0006190100000000, 0.0030452600000000 ] - [ 0.0003159200000000, -0.0001797600000000, -0.0004249100000000 ] - [ 0.0002016900000000, -0.0003110600000000, -0.0008029400000000 ] - [ 0.0006451400000000, -0.0023554300000000, 0.0030452600000000 ] - [ 0.0000899700000000, 0.0000637300000000, -0.0000889300000000 ] - [ 0.0015852900000000, 0.0000000000000000, -0.0011410000000000 ] - [ 0.0003137600000000, 0.0000000000000000, 0.0018213900000000 ] - [ -0.0000022800000000, 0.0003634800000000, -0.0004249100000000 ] - [ -0.0010476500000000, 0.0018145800000000, -0.0034268500000000 ] - [ 0.0000468700000000, -0.0001563700000000, -0.0005257300000000 ] - [ -0.0001001800000000, 0.0000460500000000, -0.0000889300000000 ] - [ -0.0001588600000000, 0.0000375900000000, -0.0005257300000000 ] - [ 0.0003828800000000, 0.0000000000000000, -0.0006380700000000 ] - [ 0.0002667800000000, 0.0000000000000000, -0.0011869000000000 ] - [ 0.0001119800000000, -0.0001187800000000, -0.0005257300000000 ] - [ 0.0001119800000000, 0.0001187800000000, -0.0005257300000000 ] - [ 0.0001893500000000, 0.0000505600000000, -0.0008119700000000 ] - [ -0.0000832900000000, -0.0004390300000000, 0.0010495100000000 ] - [ -0.0001914400000000, 0.0003315800000000, -0.0006380700000000 ] - [ -0.0000508900000000, 0.0001892600000000, -0.0008119700000000 ] - [ -0.0001914400000000, -0.0003315800000000, -0.0006380700000000 ] - [ -0.0000996500000000, -0.0001725900000000, -0.0006342000000000 ] - [ -0.0003136400000000, 0.0001837100000000, -0.0004249100000000 ] - [ 0.0004218600000000, 0.0001473800000000, 0.0010495100000000 ] - [ -0.0010476500000000, -0.0018145800000000, -0.0034268500000000 ] - [ 0.0001685400000000, 0.0003302000000000, -0.0008029400000000 ] - [ -0.0023624300000000, 0.0006190100000000, 0.0030452600000000 ] - [ -0.0001001800000000, -0.0000460500000000, -0.0000889300000000 ] - [ -0.0000022800000000, -0.0003634800000000, -0.0004249100000000 ] - [ 0.0017172900000000, -0.0017364200000000, 0.0030452600000000 ] - [ 0.0017172900000000, 0.0017364200000000, 0.0030452600000000 ] - [ 0.0020953000000000, 0.0000000000000000, -0.0034268500000000 ] - [ 0.0000468700000000, 0.0001563700000000, -0.0005257300000000 ] - [ 0.0000102000000000, -0.0001097800000000, -0.0000889300000000 ] - [ -0.0000832900000000, 0.0004390300000000, 0.0010495100000000 ] - [ -0.0001384600000000, 0.0001387000000000, -0.0008119700000000 ] - [ -0.0007926500000000, -0.0013729000000000, -0.0011410000000000 ] - [ 0.0006451400000000, 0.0023554300000000, 0.0030452600000000 ] - [ -0.0003702300000000, -0.0000191400000000, -0.0008029400000000 ] - [ 0.0000102000000000, 0.0001097800000000, -0.0000889300000000 ] - [ -0.0001568800000000, -0.0002717300000000, 0.0018213900000000 ] - [ -0.0001568800000000, 0.0002717300000000, 0.0018213900000000 ] - [ -0.0003136400000000, -0.0001837100000000, -0.0004249100000000 ] - [ -0.0001384600000000, -0.0001387000000000, -0.0008119700000000 ] - [ 0.0001992900000000, 0.0000000000000000, -0.0006342000000000 ] - [ 0.0006305100000000, -0.0010920700000000, -0.0010649400000000 ] - [ -0.0018724800000000, 0.0032432300000000, 0.0008136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016488300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016810700000000 ] - [ 0.0013371700000000, 0.0023160400000000, 0.0003582500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059869700000000 ] - [ 0.0000841700000000, 0.0001457900000000, -0.0024271600000000 ] - [ -0.0001683500000000, 0.0000000000000000, -0.0024271600000000 ] - [ -0.0026743400000000, 0.0000000000000000, 0.0003582500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016488300000000 ] - [ 0.0000841700000000, -0.0001457900000000, -0.0024271600000000 ] - [ -0.0012610200000000, 0.0000000000000000, -0.0010649400000000 ] - [ 0.0006305100000000, 0.0010920700000000, -0.0010649400000000 ] - [ 0.0013371700000000, -0.0023160400000000, 0.0003582500000000 ] - [ 0.0037449600000000, 0.0000000000000000, 0.0008136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3702961600000000 ] - [ -0.0018724800000000, -0.0032432300000000, 0.0008136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003358000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003358000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103368500000000 ] - [ 0.0081049900000000, -0.0140382500000000, 0.0250121200000000 ] - [ 0.0015919800000000, -0.0017931400000000, -0.0004994100000000 ] - [ 0.0010019600000000, 0.0000000000000000, 0.0007951800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015049600000000 ] - [ -0.0000022300000000, -0.0001018200000000, 0.0002381100000000 ] - [ -0.0003680000000000, -0.0006373900000000, 0.0002006400000000 ] - [ 0.0007359900000000, 0.0000000000000000, 0.0002006400000000 ] - [ 0.0013128800000000, 0.0002778600000000, -0.0000122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4590816700000000 ] - [ 0.0001107600000000, 0.0000000000000000, 0.0016659900000000 ] - [ 0.0002893100000000, 0.0003093700000000, 0.0006840500000000 ] - [ 0.0007582700000000, 0.0000000000000000, 0.0016303700000000 ] - [ -0.0009813300000000, 0.0000336600000000, -0.0015286000000000 ] - [ -0.0000022300000000, 0.0001018200000000, 0.0002381100000000 ] - [ -0.0004518400000000, -0.0007826100000000, 0.0006124300000000 ] - [ 0.0000892900000000, 0.0000489800000000, 0.0002381100000000 ] - [ 0.0004615200000000, 0.0008666800000000, -0.0015286000000000 ] - [ -0.0162099700000000, 0.0000000000000000, 0.0250121200000000 ] - [ -0.0000259800000000, -0.0000076600000000, 0.0006808200000000 ] - [ 0.0001232700000000, -0.0004052400000000, 0.0006840500000000 ] - [ -0.0004851100000000, 0.0008402400000000, 0.0016148400000000 ] - [ -0.0006479300000000, -0.0011222500000000, -0.0009010700000000 ] - [ -0.0004158100000000, 0.0012759200000000, -0.0000122200000000 ] - [ -0.0000553800000000, 0.0000959200000000, 0.0016659900000000 ] - [ 0.0010377900000000, -0.0017975100000000, -0.0012311800000000 ] - [ -0.0004518400000000, 0.0007826100000000, 0.0006124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011932800000000 ] - [ -0.0004125800000000, -0.0000958600000000, 0.0006840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779300000000 ] - [ -0.0020755800000000, 0.0000000000000000, -0.0012311800000000 ] - [ 0.0081049900000000, 0.0140382500000000, 0.0250121200000000 ] - [ 0.0000757400000000, 0.0000000000000000, 0.0005418100000000 ] - [ -0.0000870700000000, 0.0000528400000000, 0.0002381100000000 ] - [ 0.0000196200000000, -0.0000186700000000, 0.0006808200000000 ] - [ 0.0000063600000000, -0.0000263300000000, 0.0006808200000000 ] - [ -0.0008970800000000, 0.0009980600000000, -0.0000122200000000 ] - [ -0.0005009800000000, -0.0008677200000000, 0.0007951800000000 ] - [ -0.0007250300000000, 0.0000000000000000, -0.0007464500000000 ] - [ -0.0003680000000000, 0.0006373900000000, 0.0002006400000000 ] - [ 0.0000282200000000, 0.0000650700000000, 0.0007684700000000 ] - [ 0.0000892900000000, -0.0000489800000000, 0.0002381100000000 ] - [ -0.0005009800000000, 0.0008677200000000, 0.0007951800000000 ] - [ 0.0007569100000000, 0.0022752700000000, -0.0004994100000000 ] - [ 0.0000063600000000, 0.0000263300000000, 0.0006808200000000 ] - [ 0.0013128800000000, -0.0002778600000000, -0.0000122200000000 ] - [ 0.0007569100000000, -0.0022752700000000, -0.0004994100000000 ] - [ -0.0003791300000000, 0.0006566800000000, 0.0016303700000000 ] - [ -0.0006479300000000, 0.0011222500000000, -0.0009010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015049600000000 ] - [ 0.0012958700000000, 0.0000000000000000, -0.0009010700000000 ] - [ 0.0000282200000000, -0.0000650700000000, 0.0007684700000000 ] - [ -0.0008970800000000, -0.0009980600000000, -0.0000122200000000 ] - [ -0.0000378700000000, 0.0000655900000000, 0.0005418100000000 ] - [ -0.0000704700000000, -0.0000081000000000, 0.0007684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011932800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016165000000000 ] - [ -0.0003791300000000, -0.0006566800000000, 0.0016303700000000 ] - [ 0.0009702200000000, 0.0000000000000000, 0.0016148400000000 ] - [ 0.0015919800000000, 0.0017931400000000, -0.0004994100000000 ] - [ -0.0004125800000000, 0.0000958600000000, 0.0006840500000000 ] - [ -0.0004851100000000, -0.0008402400000000, 0.0016148400000000 ] - [ -0.0000378700000000, -0.0000655900000000, 0.0005418100000000 ] - [ 0.0003625200000000, 0.0006278900000000, -0.0007464500000000 ] - [ 0.0009036800000000, 0.0000000000000000, 0.0006124300000000 ] - [ 0.0010377900000000, 0.0017975100000000, -0.0012311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779300000000 ] - [ 0.0004615200000000, -0.0008666800000000, -0.0015286000000000 ] - [ 0.0005198100000000, 0.0008330300000000, -0.0015286000000000 ] - [ -0.0000259800000000, 0.0000076600000000, 0.0006808200000000 ] - [ -0.0000870700000000, -0.0000528400000000, 0.0002381100000000 ] - [ -0.0009813300000000, -0.0000336600000000, -0.0015286000000000 ] - [ -0.0004158100000000, -0.0012759200000000, -0.0000122200000000 ] - [ 0.0005198100000000, -0.0008330300000000, -0.0015286000000000 ] - [ 0.0000422400000000, 0.0000569800000000, 0.0007684700000000 ] - [ 0.0001232700000000, 0.0004052400000000, 0.0006840500000000 ] - [ 0.0000422400000000, -0.0000569800000000, 0.0007684700000000 ] - [ -0.0000553800000000, -0.0000959200000000, 0.0016659900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041454100000000 ] - [ 0.0000196200000000, 0.0000186700000000, 0.0006808200000000 ] - [ -0.0023488900000000, 0.0004821300000000, -0.0004994100000000 ] - [ -0.0000704700000000, 0.0000081000000000, 0.0007684700000000 ] - [ 0.0002893100000000, -0.0003093700000000, 0.0006840500000000 ] - [ 0.0003625200000000, -0.0006278900000000, -0.0007464500000000 ] - [ -0.0023488900000000, -0.0004821300000000, -0.0004994100000000 ] - [ 0.0011443500000000, -0.0019820700000000, -0.0002798200000000 ] - [ 0.0000546000000000, 0.0000945700000000, 0.0006908000000000 ] - [ -0.0000691900000000, 0.0001198400000000, 0.0007972800000000 ] - [ -0.0002918000000000, 0.0000000000000000, 0.0008685500000000 ] - [ -0.0001138800000000, 0.0001972500000000, -0.0025071200000000 ] - [ -0.0000691900000000, -0.0001198400000000, 0.0007972800000000 ] - [ 0.0002277600000000, 0.0000000000000000, -0.0025071200000000 ] - [ 0.0001459000000000, 0.0002527100000000, 0.0008685500000000 ] - [ 0.0011443500000000, 0.0019820700000000, -0.0002798200000000 ] - [ 0.0002248500000000, 0.0003894500000000, 0.0004140500000000 ] - [ -0.0022887000000000, 0.0000000000000000, -0.0002798200000000 ] - [ -0.0001138800000000, -0.0001972500000000, -0.0025071200000000 ] - [ -0.0004497000000000, 0.0000000000000000, 0.0004140500000000 ] - [ 0.0001459000000000, -0.0002527100000000, 0.0008685500000000 ] - [ 0.0002248500000000, -0.0003894500000000, 0.0004140500000000 ] - [ -0.0001092000000000, 0.0000000000000000, 0.0006908000000000 ] - [ 0.0001383800000000, 0.0000000000000000, 0.0007972800000000 ] - [ 0.0000546000000000, -0.0000945700000000, 0.0006908000000000 ]- atom: 96 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000376800000000, 0.0004845300000000, 0.0005086700000000 ] - [ -0.0015353200000000, 0.0026592600000000, -0.0018107400000000 ] - [ 0.0007286700000000, -0.0012620900000000, 0.0014132700000000 ] - [ 0.0003595000000000, 0.0000061900000000, -0.0007980800000000 ] - [ -0.0001200100000000, 0.0002078700000000, 0.0007457800000000 ] - [ -0.0003871600000000, -0.0000631100000000, 0.0007883400000000 ] - [ 0.0002482400000000, -0.0003037300000000, 0.0007883400000000 ] - [ -0.0001200100000000, -0.0002078700000000, 0.0007457800000000 ] - [ -0.0000377300000000, 0.0000653500000000, 0.0007438000000000 ] - [ 0.0001389200000000, 0.0003668400000000, 0.0007883400000000 ] - [ 0.0003595000000000, -0.0000061900000000, -0.0007980800000000 ] - [ -0.0000782200000000, -0.0002407700000000, 0.0005589000000000 ] - [ -0.0005024800000000, -0.0006001000000000, -0.0001686100000000 ] - [ 0.0001835600000000, -0.0001255300000000, 0.0010178700000000 ] - [ 0.0002476200000000, -0.0000526400000000, 0.0005589000000000 ] - [ -0.0015353200000000, -0.0026592600000000, -0.0018107400000000 ] - [ 0.0030706500000000, 0.0000000000000000, -0.0018107400000000 ] - [ -0.0001851100000000, 0.0003082400000000, -0.0007980800000000 ] - [ 0.0023239800000000, 0.0009179100000000, -0.0029009300000000 ] - [ -0.0005024800000000, 0.0006001000000000, -0.0001686100000000 ] - [ 0.0002482400000000, 0.0003037300000000, 0.0007883400000000 ] - [ -0.0003670600000000, 0.0024715800000000, -0.0029009300000000 ] - [ -0.0000376800000000, -0.0004845300000000, 0.0005086700000000 ] - [ -0.0014573300000000, 0.0000000000000000, 0.0014132700000000 ] - [ -0.0000359500000000, 0.0000000000000000, -0.0012164000000000 ] - [ -0.0002684600000000, -0.0007352000000000, -0.0001686100000000 ] - [ 0.0009294600000000, -0.0016098700000000, 0.0030690200000000 ] - [ -0.0002004900000000, 0.0000962000000000, 0.0010178700000000 ] - [ 0.0004384600000000, 0.0002096300000000, 0.0005086700000000 ] - [ 0.0001835600000000, 0.0001255300000000, 0.0010178700000000 ] - [ 0.0003677500000000, 0.0000000000000000, 0.0006744900000000 ] - [ 0.0002400300000000, 0.0000000000000000, 0.0007457800000000 ] - [ 0.0000169300000000, 0.0002217300000000, 0.0010178700000000 ] - [ 0.0000169300000000, -0.0002217300000000, 0.0010178700000000 ] - [ 0.0002476200000000, 0.0000526400000000, 0.0005589000000000 ] - [ -0.0001743900000000, 0.0003144300000000, -0.0007980800000000 ] - [ -0.0001838800000000, 0.0003184800000000, 0.0006744900000000 ] - [ -0.0000782200000000, 0.0002407700000000, 0.0005589000000000 ] - [ -0.0001838800000000, -0.0003184800000000, 0.0006744900000000 ] - [ -0.0000377300000000, -0.0000653500000000, 0.0007438000000000 ] - [ 0.0007709400000000, -0.0001351100000000, -0.0001686100000000 ] - [ -0.0001851100000000, -0.0003082400000000, -0.0007980800000000 ] - [ 0.0009294600000000, 0.0016098700000000, 0.0030690200000000 ] - [ -0.0003871600000000, 0.0000631100000000, 0.0007883400000000 ] - [ 0.0023239800000000, -0.0009179100000000, -0.0029009300000000 ] - [ 0.0004384600000000, -0.0002096300000000, 0.0005086700000000 ] - [ -0.0002684600000000, 0.0007352000000000, -0.0001686100000000 ] - [ -0.0019569200000000, 0.0015536800000000, -0.0029009300000000 ] - [ -0.0019569200000000, -0.0015536800000000, -0.0029009300000000 ] - [ -0.0018589200000000, 0.0000000000000000, 0.0030690200000000 ] - [ -0.0002004900000000, -0.0000962000000000, 0.0010178700000000 ] - [ -0.0004007800000000, 0.0002749000000000, 0.0005086700000000 ] - [ -0.0001743900000000, -0.0003144300000000, -0.0007980800000000 ] - [ -0.0001694000000000, 0.0001881300000000, 0.0005589000000000 ] - [ 0.0007286700000000, 0.0012620900000000, 0.0014132700000000 ] - [ -0.0003670600000000, -0.0024715800000000, -0.0029009300000000 ] - [ 0.0001389200000000, -0.0003668400000000, 0.0007883400000000 ] - [ -0.0004007800000000, -0.0002749000000000, 0.0005086700000000 ] - [ 0.0000179700000000, 0.0000311300000000, -0.0012164000000000 ] - [ 0.0000179700000000, -0.0000311300000000, -0.0012164000000000 ] - [ 0.0007709400000000, 0.0001351100000000, -0.0001686100000000 ] - [ -0.0001694000000000, -0.0001881300000000, 0.0005589000000000 ] - [ 0.0000754600000000, 0.0000000000000000, 0.0007438000000000 ] - [ -0.0005745300000000, 0.0009951200000000, 0.0016500000000000 ] - [ 0.0017928900000000, -0.0031053800000000, -0.0005894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026594900000000 ] - [ -0.0010466400000000, -0.0018128300000000, -0.0004552200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052835600000000 ] - [ 0.0001500600000000, 0.0002599100000000, 0.0019478800000000 ] - [ -0.0003001200000000, 0.0000000000000000, 0.0019478800000000 ] - [ 0.0020932800000000, 0.0000000000000000, -0.0004552200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018033400000000 ] - [ 0.0001500600000000, -0.0002599100000000, 0.0019478800000000 ] - [ 0.0011490700000000, 0.0000000000000000, 0.0016500000000000 ] - [ -0.0005745300000000, -0.0009951200000000, 0.0016500000000000 ] - [ -0.0010466400000000, 0.0018128300000000, -0.0004552200000000 ] - [ -0.0035857800000000, 0.0000000000000000, -0.0005894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013404300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013404300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3435902100000000 ] - [ 0.0017928900000000, 0.0031053800000000, -0.0005894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100813500000000 ] - [ -0.0077379900000000, 0.0134026000000000, -0.0241850600000000 ] - [ -0.0011597400000000, 0.0019549100000000, 0.0010645500000000 ] - [ -0.0003685400000000, 0.0000000000000000, -0.0003764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004456500000000 ] - [ 0.0001995100000000, 0.0003738700000000, -0.0008864600000000 ] - [ 0.0005158200000000, 0.0008934200000000, -0.0002971300000000 ] - [ -0.0010316400000000, 0.0000000000000000, -0.0002971300000000 ] - [ -0.0010394900000000, -0.0001315800000000, -0.0004907300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4307492500000000 ] - [ -0.0000240400000000, 0.0000000000000000, -0.0012051100000000 ] - [ -0.0007851200000000, 0.0000699400000000, -0.0003168200000000 ] - [ 0.0003521100000000, 0.0000000000000000, -0.0008306800000000 ] - [ -0.0006822700000000, -0.0000817500000000, 0.0005638300000000 ] - [ 0.0001995100000000, -0.0003738700000000, -0.0008864600000000 ] - [ 0.0003605000000000, 0.0006244100000000, -0.0008040800000000 ] - [ -0.0004235400000000, -0.0000141500000000, -0.0008864600000000 ] - [ 0.0004119300000000, 0.0005499900000000, 0.0005638300000000 ] - [ 0.0154759800000000, 0.0000000000000000, -0.0241850600000000 ] - [ 0.0003047500000000, 0.0004631700000000, -0.0009207100000000 ] - [ 0.0004531300000000, 0.0006449700000000, -0.0003168200000000 ] - [ 0.0003601000000000, -0.0006237100000000, -0.0015991100000000 ] - [ 0.0005097800000000, 0.0008829600000000, 0.0005207000000000 ] - [ 0.0004057900000000, -0.0009660100000000, -0.0004907300000000 ] - [ 0.0000120200000000, -0.0000208200000000, -0.0012051100000000 ] - [ -0.0008061400000000, 0.0013962700000000, 0.0009016600000000 ] - [ 0.0003605000000000, -0.0006244100000000, -0.0008040800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012132000000000 ] - [ 0.0003319900000000, 0.0007149100000000, -0.0003168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022061500000000 ] - [ 0.0016122700000000, 0.0000000000000000, 0.0009016600000000 ] - [ -0.0077379900000000, -0.0134026000000000, -0.0241850600000000 ] - [ -0.0002869500000000, 0.0000000000000000, -0.0008681700000000 ] - [ 0.0002240300000000, -0.0003597200000000, -0.0008864600000000 ] - [ -0.0005534900000000, 0.0000323400000000, -0.0009207100000000 ] - [ 0.0002487400000000, 0.0004955100000000, -0.0009207100000000 ] - [ 0.0006337000000000, -0.0008344300000000, -0.0004907300000000 ] - [ 0.0001842700000000, 0.0003191600000000, -0.0003764300000000 ] - [ 0.0008481600000000, 0.0000000000000000, 0.0002405400000000 ] - [ 0.0005158200000000, -0.0008934200000000, -0.0002971300000000 ] - [ -0.0001093200000000, -0.0002144600000000, -0.0004558000000000 ] - [ -0.0004235400000000, 0.0000141500000000, -0.0008864600000000 ] - [ 0.0001842700000000, -0.0003191600000000, -0.0003764300000000 ] - [ -0.0011131300000000, -0.0019818200000000, 0.0010645500000000 ] - [ 0.0002487400000000, -0.0004955100000000, -0.0009207100000000 ] - [ -0.0010394900000000, 0.0001315800000000, -0.0004907300000000 ] - [ -0.0011131300000000, 0.0019818200000000, 0.0010645500000000 ] - [ -0.0001760500000000, 0.0003049300000000, -0.0008306800000000 ] - [ 0.0005097800000000, -0.0008829600000000, 0.0005207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004456500000000 ] - [ -0.0010195500000000, 0.0000000000000000, 0.0005207000000000 ] - [ -0.0001093200000000, 0.0002144600000000, -0.0004558000000000 ] - [ 0.0006337000000000, 0.0008344300000000, -0.0004907300000000 ] - [ 0.0001434700000000, -0.0002485100000000, -0.0008681700000000 ] - [ 0.0002403900000000, 0.0000125600000000, -0.0004558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024939100000000 ] - [ -0.0001760500000000, -0.0003049300000000, -0.0008306800000000 ] - [ -0.0007201900000000, 0.0000000000000000, -0.0015991100000000 ] - [ -0.0011597400000000, -0.0019549100000000, 0.0010645500000000 ] - [ 0.0003319900000000, -0.0007149100000000, -0.0003168200000000 ] - [ 0.0003601000000000, 0.0006237100000000, -0.0015991100000000 ] - [ 0.0001434700000000, 0.0002485100000000, -0.0008681700000000 ] - [ -0.0004240800000000, -0.0007345300000000, 0.0002405400000000 ] - [ -0.0007210000000000, 0.0000000000000000, -0.0008040800000000 ] - [ -0.0008061400000000, -0.0013962700000000, 0.0009016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022061500000000 ] - [ 0.0004119300000000, -0.0005499900000000, 0.0005638300000000 ] - [ 0.0002703400000000, 0.0006317400000000, 0.0005638300000000 ] - [ 0.0003047500000000, -0.0004631700000000, -0.0009207100000000 ] - [ 0.0002240300000000, 0.0003597200000000, -0.0008864600000000 ] - [ -0.0006822700000000, 0.0000817500000000, 0.0005638300000000 ] - [ 0.0004057900000000, 0.0009660100000000, -0.0004907300000000 ] - [ 0.0002703400000000, -0.0006317400000000, 0.0005638300000000 ] - [ -0.0001310700000000, -0.0002019100000000, -0.0004558000000000 ] - [ 0.0004531300000000, -0.0006449700000000, -0.0003168200000000 ] - [ -0.0001310700000000, 0.0002019100000000, -0.0004558000000000 ] - [ 0.0000120200000000, 0.0000208200000000, -0.0012051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042169900000000 ] - [ -0.0005534900000000, -0.0000323400000000, -0.0009207100000000 ] - [ 0.0022728800000000, -0.0000269100000000, 0.0010645500000000 ] - [ 0.0002403900000000, -0.0000125600000000, -0.0004558000000000 ] - [ -0.0007851200000000, -0.0000699400000000, -0.0003168200000000 ] - [ -0.0004240800000000, 0.0007345300000000, 0.0002405400000000 ] - [ 0.0022728800000000, 0.0000269100000000, 0.0010645500000000 ] - [ -0.0010903500000000, 0.0018885500000000, 0.0002315300000000 ] - [ -0.0001715200000000, -0.0002970800000000, -0.0005103200000000 ] - [ 0.0000729800000000, -0.0001264000000000, -0.0006347300000000 ] - [ -0.0001735400000000, 0.0000000000000000, -0.0005334000000000 ] - [ 0.0001366700000000, -0.0002367100000000, 0.0025485600000000 ] - [ 0.0000729800000000, 0.0001264000000000, -0.0006347300000000 ] - [ -0.0002733300000000, 0.0000000000000000, 0.0025485600000000 ] - [ 0.0000867700000000, 0.0001502900000000, -0.0005334000000000 ] - [ -0.0010903500000000, -0.0018885500000000, 0.0002315300000000 ] - [ -0.0002142400000000, -0.0003710800000000, -0.0011199700000000 ] - [ 0.0021807100000000, 0.0000000000000000, 0.0002315300000000 ] - [ 0.0001366700000000, 0.0002367100000000, 0.0025485600000000 ] - [ 0.0004284900000000, 0.0000000000000000, -0.0011199700000000 ] - [ 0.0000867700000000, -0.0001502900000000, -0.0005334000000000 ] - [ -0.0002142400000000, 0.0003710800000000, -0.0011199700000000 ] - [ 0.0003430400000000, 0.0000000000000000, -0.0005103200000000 ] - [ -0.0001459500000000, 0.0000000000000000, -0.0006347300000000 ] - [ -0.0001715200000000, 0.0002970800000000, -0.0005103200000000 ]- atom: 97 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0002438100000000, -0.0001639200000000, 0.0001574900000000 ] - [ -0.0000230900000000, 0.0001018900000000, 0.0001916100000000 ] - [ -0.0002050400000000, 0.0002232600000000, 0.0001463500000000 ] - [ -0.0000112300000000, -0.0000972400000000, 0.0001443500000000 ] - [ -0.0013998700000000, 0.0006233000000000, -0.0004856700000000 ] - [ -0.0003811900000000, -0.0001543100000000, 0.0011906400000000 ] - [ 0.0006164100000000, -0.0002449000000000, -0.0001985000000000 ] - [ 0.0024688200000000, -0.0008760500000000, -0.0007950000000000 ] - [ -0.0004573000000000, -0.0004815200000000, -0.0000805500000000 ] - [ 0.0001427200000000, 0.0001249400000000, 0.0001008000000000 ] - [ -0.0000195600000000, 0.0001911400000000, 0.0000972600000000 ] - [ 0.0014396300000000, -0.0008940900000000, 0.0004444700000000 ] - [ -0.0001976200000000, -0.0000996800000000, -0.0003772300000000 ] - [ -0.0002405000000000, 0.0038254600000000, 0.0006095700000000 ] - [ -0.0005445100000000, -0.0025740900000000, -0.0005141900000000 ] - [ -0.0000414900000000, -0.0000792400000000, 0.0001909200000000 ] - [ 0.0000988100000000, 0.0000471600000000, 0.0001929800000000 ] - [ 0.0000984400000000, 0.0000736800000000, 0.0001378300000000 ] - [ 0.0000107500000000, 0.0001397100000000, 0.0000678000000000 ] - [ -0.0001450800000000, 0.0002960800000000, -0.0001266900000000 ] - [ 0.0000285700000000, -0.0000708000000000, 0.0000718200000000 ] - [ 0.0001163100000000, 0.0000581700000000, 0.0000662600000000 ] - [ -0.0001098000000000, -0.0003848800000000, 0.0002415700000000 ] - [ 0.0002589800000000, 0.0000475000000000, 0.0001905500000000 ] - [ 0.0001192200000000, 0.0000297200000000, 0.0003067500000000 ] - [ -0.0000958800000000, -0.0002969200000000, -0.0002200500000000 ] - [ 0.0000324300000000, 0.0000986300000000, -0.0002097200000000 ] - [ 0.0001276700000000, 0.0001716200000000, 0.0001664400000000 ] - [ 0.0001041600000000, -0.0000323400000000, 0.0006121900000000 ] - [ -0.0027661300000000, 0.0051869700000000, -0.0002049400000000 ] - [ 0.0001684700000000, 0.0003779200000000, 0.0011960700000000 ] - [ 0.0007939700000000, 0.0000755900000000, -0.0003034200000000 ] - [ 0.0006959300000000, -0.0006787500000000, 0.0004580600000000 ] - [ -0.0002460700000000, -0.0001044600000000, 0.0001428500000000 ] - [ 0.0000712200000000, -0.0016911800000000, 0.0005312700000000 ] - [ -0.0001259400000000, -0.0001220100000000, 0.0001098600000000 ] - [ -0.0002429000000000, 0.0000624700000000, 0.0001133400000000 ] - [ 0.0003400300000000, 0.0014453500000000, -0.0004447800000000 ] - [ -0.0001845600000000, -0.0007633200000000, -0.0001448100000000 ] - [ 0.0002264400000000, -0.0010010300000000, 0.0002618500000000 ] - [ 0.0002011800000000, 0.0000131500000000, -0.0003143700000000 ] - [ 0.0001699400000000, -0.0001176600000000, 0.0001072000000000 ] - [ -0.0000308700000000, -0.0000626400000000, -0.0001653500000000 ] - [ -0.0000005100000000, 0.0000612300000000, -0.0022631100000000 ] - [ -0.0000027300000000, -0.0001376600000000, 0.0000609800000000 ] - [ -0.0000107400000000, -0.0002312100000000, -0.0001868700000000 ] - [ -0.0001847300000000, 0.0001079000000000, -0.0003382400000000 ] - [ -0.0001358700000000, -0.0000578600000000, 0.0000657600000000 ] - [ -0.0001376900000000, 0.0001237400000000, 0.0000328700000000 ] - [ 0.0000802300000000, 0.0001387000000000, -0.0002236100000000 ] - [ 0.0006235600000000, 0.0001096800000000, 0.0000957300000000 ] - [ -0.0002597400000000, 0.0003188100000000, 0.0002205200000000 ] - [ -0.0001449100000000, 0.0000225600000000, 0.0001404300000000 ] - [ 0.0003550000000000, -0.0007240100000000, -0.0000444200000000 ] - [ 0.0001443700000000, -0.0001123700000000, 0.0006132500000000 ] - [ 0.0001739000000000, -0.0000786400000000, 0.0000410200000000 ] - [ 0.0000562800000000, -0.0000254900000000, 0.0000822600000000 ] - [ -0.0000188600000000, 0.0000292100000000, -0.0001753500000000 ] - [ -0.0000712000000000, -0.0001651400000000, 0.0002798600000000 ] - [ -0.0000716600000000, 0.0000967500000000, 0.0003042900000000 ] - [ 0.0003060800000000, -0.0001151700000000, -0.0002172900000000 ] - [ -0.0004737600000000, -0.0005729000000000, -0.0001793600000000 ] - [ -0.0015322700000000, 0.0021846200000000, -0.0003504900000000 ] - [ 0.0003137100000000, -0.0004139500000000, 0.0003162700000000 ] - [ -0.0000944300000000, 0.0000535300000000, 0.0000213300000000 ] - [ 0.0006354700000000, -0.0010746100000000, 0.0011637100000000 ] - [ -0.0000481600000000, -0.0000025100000000, -0.0005357900000000 ] - [ 0.0003057300000000, -0.0000290200000000, -0.0003284800000000 ] - [ 0.0000233800000000, -0.0000426100000000, -0.0003787900000000 ] - [ 0.0022433900000000, 0.0030426600000000, 0.0007782800000000 ] - [ 0.0006210900000000, 0.0021541200000000, -0.0006819500000000 ] - [ -0.0000417900000000, -0.0008880500000000, -0.0002932200000000 ] - [ -0.0445190800000000, 0.0762856200000000, -0.0042911400000000 ] - [ -0.0001086300000000, 0.0001029200000000, 0.0001195800000000 ] - [ -0.0007372200000000, -0.0003590900000000, -0.0003840600000000 ] - [ 0.0011952700000000, -0.0006764200000000, -0.0002543700000000 ] - [ -0.0015316400000000, 0.0026329700000000, 0.0003103800000000 ] - [ 0.0001857600000000, -0.0003517600000000, 0.0003050300000000 ] - [ -0.0000352900000000, -0.0003402200000000, 0.0001147300000000 ] - [ 0.0001002900000000, 0.0000496400000000, 0.0000287300000000 ] - [ -0.0041086000000000, -0.0000861500000000, 0.0007583600000000 ] - [ 0.0023475900000000, -0.0036972600000000, -0.0024905100000000 ] - [ 0.0000306100000000, 0.0000482100000000, 0.0003747700000000 ] - [ -0.0000020000000000, -0.0001134500000000, 0.0003497000000000 ] - [ 0.0000362700000000, -0.0000010200000000, -0.0001913000000000 ] - [ -0.0000213100000000, 0.0000321700000000, 0.0000172400000000 ] - [ -0.0000313900000000, -0.0000546800000000, 0.0000671300000000 ] - [ 0.0000399500000000, -0.0001147800000000, 0.0001297000000000 ] - [ 0.0002334900000000, 0.0000750400000000, 0.0002917200000000 ] - [ 0.0009995500000000, -0.0006464200000000, 0.0007949900000000 ] - [ 0.0006691500000000, -0.0000267400000000, -0.0000431400000000 ] - [ 0.0001227800000000, 0.0007205900000000, -0.0006329100000000 ] - [ 0.0000523600000000, 0.0002529400000000, 0.0000429400000000 ] - [ -0.0002364600000000, -0.0000689800000000, -0.0001973700000000 ] - [ 0.0000705500000000, 0.0000019900000000, -0.0002746600000000 ] - [ -0.0000080900000000, -0.0000133400000000, -0.0004414700000000 ] - [ 0.0401475000000000, -0.0725315600000000, 0.0074920200000000 ] - [ 0.0004590600000000, -0.0010539800000000, -0.0009989500000000 ] - [ -0.0005315100000000, -0.0005443000000000, 0.0001823700000000 ] - [ -0.0008704200000000, -0.0000068300000000, -0.0005106600000000 ] - [ 0.0002368700000000, 0.0000201800000000, -0.0002086600000000 ] - [ -0.0000672300000000, -0.0000012200000000, -0.0001126600000000 ] - [ -0.0006774500000000, 0.0002638200000000, -0.0006316200000000 ] - [ 0.0004549200000000, 0.0006961900000000, -0.0004817400000000 ] - [ -0.0001213800000000, -0.0000272400000000, 0.0001314900000000 ] - [ 0.0129690400000000, -0.0048273000000000, -0.0226237200000000 ] - [ 0.0002428500000000, 0.0001924900000000, 0.0001419700000000 ] - [ 0.0003979300000000, -0.0006743100000000, -0.0002808100000000 ] - [ -0.0000967100000000, -0.0000606300000000, -0.0000429500000000 ] - [ 0.0000918600000000, 0.0001929100000000, -0.0003931300000000 ] - [ -0.0002434600000000, 0.0002741300000000, 0.0002599600000000 ] - [ 0.0001323600000000, -0.0001766700000000, -0.0001510400000000 ] - [ -0.0001085500000000, 0.0001378500000000, -0.0001147300000000 ] - [ 0.0005282400000000, 0.0000409000000000, 0.0003315700000000 ] - [ -0.0002659600000000, 0.0004699700000000, 0.0002922300000000 ] - [ -0.0000185100000000, 0.0000277200000000, 0.0007107100000000 ] - [ -0.0002255100000000, -0.0000232200000000, -0.0001526000000000 ] - [ 0.0000367600000000, 0.0000673600000000, 0.0001127400000000 ] - [ -0.0032528300000000, -0.0146767800000000, -0.0224389200000000 ] - [ -0.0002470800000000, 0.0003604800000000, -0.0007376900000000 ] - [ -0.0010695200000000, 0.0002736500000000, -0.0001755600000000 ] - [ -0.0001824200000000, 0.0001729200000000, -0.0001077700000000 ] - [ -0.0000389900000000, 0.0001024400000000, -0.0002745700000000 ] - [ -0.0002097700000000, 0.0000065400000000, 0.0001422600000000 ] - [ 0.0000330700000000, -0.0000330800000000, -0.0001726100000000 ] - [ 0.0001361500000000, -0.0000985600000000, -0.0001232900000000 ] - [ -0.0012598000000000, 0.0021231800000000, 0.0011375600000000 ] - [ 0.0003097000000000, 0.0000386600000000, -0.0001584500000000 ] - [ -0.0002007200000000, 0.0005671000000000, 0.0003272500000000 ] - [ -0.0002478600000000, 0.0001621200000000, 0.0002167800000000 ] - [ -0.0002041600000000, 0.0002298000000000, -0.0000421000000000 ] - [ 0.0000816600000000, -0.0001048300000000, -0.0003227400000000 ] - [ -0.0001279100000000, -0.0001347100000000, 0.0002979200000000 ] - [ -0.0001271000000000, -0.0007407200000000, 0.0001732200000000 ] - [ -0.0000339500000000, 0.0001404900000000, -0.0002738300000000 ] - [ -0.0003446800000000, 0.0005381500000000, 0.0017276700000000 ] - [ 0.0001058200000000, -0.0000152100000000, -0.0002750800000000 ] - [ 0.0010278900000000, -0.0005979800000000, 0.0002302000000000 ] - [ -0.0002220700000000, 0.0000036300000000, -0.0001694600000000 ] - [ -0.0002223200000000, 0.0004766600000000, -0.0001159900000000 ] - [ -0.0013809200000000, 0.0021959500000000, 0.0011897400000000 ] - [ -0.0003212100000000, 0.0005445500000000, -0.0007751300000000 ] - [ -0.0007675900000000, -0.0007653100000000, -0.0004682000000000 ] - [ -0.0023723500000000, -0.0016118900000000, 0.0000266400000000 ] - [ -0.0002661600000000, -0.0003946500000000, -0.0000054400000000 ] - [ 0.0002186900000000, -0.0001038200000000, 0.0002243300000000 ] - [ -0.0000828500000000, -0.0002214800000000, 0.0001350900000000 ] - [ -0.0010684700000000, -0.0010666100000000, 0.0007280100000000 ] - [ 0.0002188200000000, 0.0008970700000000, -0.0002022600000000 ] - [ -0.0000598700000000, 0.0000009200000000, -0.0004458100000000 ] - [ 0.0003517800000000, -0.0004758400000000, -0.0001104900000000 ] - [ 0.0001237800000000, 0.0002642700000000, -0.0002274700000000 ] - [ 0.0000304100000000, 0.0000005400000000, 0.0008569000000000 ] - [ 0.0004334900000000, -0.0007094600000000, -0.0005037200000000 ] - [ 0.0003954700000000, 0.0007742100000000, -0.0005109900000000 ] - [ -0.0001545600000000, 0.0030852900000000, 0.0421732800000000 ] - [ 0.0007734400000000, 0.0001694200000000, -0.0001028600000000 ] - [ -0.0007940700000000, 0.0000219900000000, -0.0004746900000000 ] - [ -0.0000752400000000, -0.0000202800000000, 0.0000081400000000 ] - [ 0.0004086300000000, -0.0007226700000000, -0.0004813900000000 ] - [ 0.0010833000000000, 0.0005236400000000, 0.0002647500000000 ] - [ 0.0000608200000000, 0.0000852500000000, 0.0001026600000000 ] - [ -0.0011684300000000, 0.0019278300000000, -0.0000366000000000 ] - [ -0.0001187800000000, 0.0002326900000000, 0.0002409700000000 ] - [ -0.0001115000000000, -0.0003973100000000, 0.0001498300000000 ] - [ -0.0000518100000000, 0.0002040800000000, -0.0001069100000000 ] - [ -0.0000542100000000, 0.0001876500000000, 0.0002973100000000 ] - [ 0.0025880200000000, 0.0015073100000000, -0.0008654000000000 ] - [ -0.0000517900000000, -0.0011490500000000, 0.0007927300000000 ] - [ 0.0000172200000000, 0.0000665000000000, -0.0001661800000000 ] - [ -0.0000523100000000, -0.0002288100000000, 0.0002884300000000 ] - [ -0.0000029600000000, -0.0000216200000000, -0.0000276500000000 ] - [ -0.0004505400000000, 0.0006219500000000, -0.0005502200000000 ] - [ 0.0004101200000000, 0.0005891000000000, -0.0002496000000000 ] - [ -0.0012020800000000, -0.0003561600000000, 0.0002910000000000 ] - [ 0.0000032000000000, -0.0000105600000000, 0.0000105900000000 ] - [ -0.0006515100000000, 0.0012148400000000, 0.0007290000000000 ] - [ -0.0000113700000000, -0.0000293200000000, 0.0000120800000000 ] - [ -0.0010035300000000, 0.0021807400000000, 0.0000603600000000 ] - [ 0.0000173900000000, 0.0000720000000000, -0.0000321700000000 ] - [ -0.0000374100000000, 0.0000995600000000, -0.0003624600000000 ] - [ -0.0000116100000000, -0.0000659500000000, -0.0000233000000000 ] - [ 0.0000060600000000, 0.0000370800000000, 0.0000097900000000 ] - [ 0.0003258000000000, -0.0006917600000000, -0.0002730400000000 ] - [ 0.0010559400000000, 0.0005576900000000, 0.0002572400000000 ] - [ -0.0000565400000000, 0.0000817200000000, -0.0003449400000000 ] - [ -0.0002810900000000, -0.0002722300000000, 0.0004266400000000 ] - [ -0.0009202400000000, -0.0000640100000000, -0.0003733500000000 ] - [ 0.0003824300000000, 0.0003379400000000, 0.0004416600000000 ]- atom: 97 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0001909800000000, 0.0005820700000000, 0.0002672700000000 ] - [ -0.0000904800000000, 0.0001256000000000, 0.0001426700000000 ] - [ 0.0001508000000000, -0.0001230400000000, 0.0001275400000000 ] - [ 0.0000289300000000, -0.0001783200000000, 0.0001044500000000 ] - [ 0.0011701900000000, -0.0001756400000000, 0.0000545000000000 ] - [ 0.0001682400000000, -0.0002238800000000, -0.0012211100000000 ] - [ -0.0001627900000000, 0.0002501500000000, 0.0001878400000000 ] - [ -0.0027229300000000, 0.0004263700000000, 0.0003707200000000 ] - [ 0.0003265200000000, 0.0007257300000000, 0.0001962500000000 ] - [ -0.0003801800000000, 0.0002665400000000, -0.0001129600000000 ] - [ 0.0000337100000000, 0.0000990200000000, 0.0001455300000000 ] - [ -0.0015881700000000, 0.0004714400000000, -0.0006747000000000 ] - [ -0.0000018900000000, -0.0003086400000000, -0.0002157900000000 ] - [ 0.0003343300000000, -0.0039278100000000, -0.0000400400000000 ] - [ 0.0009747100000000, 0.0024620600000000, 0.0002720400000000 ] - [ -0.0000775500000000, -0.0001271700000000, 0.0001475300000000 ] - [ 0.0001534800000000, -0.0000317900000000, 0.0001394700000000 ] - [ 0.0001470500000000, 0.0000833700000000, 0.0001072600000000 ] - [ -0.0000409500000000, 0.0001564400000000, 0.0000423700000000 ] - [ -0.0000504200000000, 0.0001344600000000, -0.0004683800000000 ] - [ 0.0004289400000000, 0.0000631900000000, -0.0000838300000000 ] - [ 0.0001554400000000, 0.0000636400000000, 0.0000442500000000 ] - [ 0.0001641100000000, -0.0000475400000000, 0.0001820800000000 ] - [ -0.0001449800000000, -0.0000400700000000, 0.0000846000000000 ] - [ 0.0001612000000000, -0.0000220000000000, 0.0002739300000000 ] - [ -0.0001563400000000, -0.0000779700000000, -0.0003720000000000 ] - [ -0.0001417600000000, 0.0001073700000000, -0.0001268600000000 ] - [ -0.0002779200000000, -0.0002238500000000, 0.0003379400000000 ] - [ 0.0002328600000000, 0.0002905500000000, -0.0001882000000000 ] - [ 0.0029715700000000, -0.0053962700000000, 0.0009394600000000 ] - [ 0.0005734800000000, -0.0003943700000000, -0.0011791700000000 ] - [ -0.0002884800000000, -0.0000685500000000, -0.0001323600000000 ] - [ -0.0005698500000000, 0.0007722600000000, 0.0000406200000000 ] - [ 0.0003762600000000, -0.0000032600000000, 0.0003571200000000 ] - [ 0.0003587400000000, 0.0018083200000000, -0.0007683100000000 ] - [ -0.0001219400000000, -0.0000018800000000, 0.0001408100000000 ] - [ -0.0001417400000000, 0.0005823800000000, -0.0000717200000000 ] - [ -0.0004807700000000, -0.0010299300000000, 0.0001979000000000 ] - [ -0.0001934200000000, 0.0001095000000000, 0.0001833500000000 ] - [ -0.0003576400000000, 0.0007738700000000, -0.0001427700000000 ] - [ 0.0002685200000000, 0.0000327200000000, -0.0002779400000000 ] - [ 0.0000643800000000, -0.0000651400000000, 0.0001399500000000 ] - [ -0.0000799700000000, -0.0001294100000000, -0.0001794600000000 ] - [ -0.0002174200000000, 0.0003258900000000, 0.0022383200000000 ] - [ -0.0000295900000000, -0.0001671300000000, 0.0000388000000000 ] - [ 0.0003494400000000, -0.0000225700000000, 0.0006091100000000 ] - [ -0.0001023000000000, 0.0002575000000000, -0.0002518400000000 ] - [ -0.0001113900000000, -0.0001225600000000, 0.0000334300000000 ] - [ -0.0000977400000000, 0.0000526800000000, 0.0000739300000000 ] - [ 0.0001541400000000, -0.0001307500000000, -0.0001139600000000 ] - [ -0.0007790200000000, -0.0000492300000000, 0.0004039000000000 ] - [ -0.0001227400000000, -0.0001474900000000, 0.0002034300000000 ] - [ -0.0001301400000000, 0.0000889200000000, 0.0001070700000000 ] - [ -0.0006628700000000, 0.0010437300000000, -0.0002036900000000 ] - [ -0.0002111800000000, 0.0000040200000000, -0.0003485900000000 ] - [ 0.0000969600000000, -0.0000371000000000, 0.0000664300000000 ] - [ -0.0002810800000000, -0.0003606400000000, -0.0000902300000000 ] - [ -0.0003785500000000, -0.0001998800000000, 0.0005972500000000 ] - [ -0.0000689800000000, -0.0000777100000000, 0.0003006300000000 ] - [ -0.0000616800000000, 0.0001499100000000, 0.0002768200000000 ] - [ 0.0001535600000000, 0.0000494400000000, -0.0003734500000000 ] - [ 0.0001663900000000, 0.0002362200000000, -0.0000626100000000 ] - [ 0.0017592000000000, -0.0021900600000000, 0.0005131800000000 ] - [ -0.0002641500000000, 0.0003226000000000, 0.0002695500000000 ] - [ 0.0000250600000000, 0.0000582500000000, 0.0002067300000000 ] - [ -0.0006415800000000, 0.0010914200000000, -0.0009974400000000 ] - [ 0.0000488300000000, 0.0000017300000000, -0.0004622900000000 ] - [ -0.0000236100000000, 0.0005142400000000, 0.0002193500000000 ] - [ -0.0000244000000000, 0.0000428600000000, -0.0006202800000000 ] - [ -0.0022617800000000, -0.0030527900000000, 0.0001431600000000 ] - [ -0.0006134700000000, -0.0021603400000000, 0.0000000600000000 ] - [ 0.0002803200000000, 0.0013008400000000, -0.0001574000000000 ] - [ 0.0441622800000000, -0.0763516900000000, 0.0056219400000000 ] - [ -0.0004621800000000, -0.0001032600000000, -0.0002303800000000 ] - [ 0.0007244600000000, 0.0003518200000000, 0.0005497200000000 ] - [ -0.0009678500000000, 0.0002734100000000, -0.0002034700000000 ] - [ 0.0014264900000000, -0.0026280800000000, 0.0002421800000000 ] - [ -0.0001284300000000, 0.0004486700000000, 0.0002860700000000 ] - [ 0.0003210900000000, -0.0001464600000000, -0.0002255900000000 ] - [ 0.0000337100000000, -0.0000517100000000, 0.0001989100000000 ] - [ 0.0041440400000000, 0.0000792800000000, -0.0013470200000000 ] - [ -0.0023478500000000, 0.0036850500000000, 0.0018916400000000 ] - [ -0.0000293300000000, -0.0000469200000000, 0.0003182800000000 ] - [ -0.0000666600000000, -0.0000027300000000, -0.0001203800000000 ] - [ -0.0000383200000000, -0.0000037800000000, -0.0000458600000000 ] - [ 0.0000184700000000, -0.0000344400000000, -0.0002540300000000 ] - [ 0.0000351800000000, 0.0000586400000000, 0.0002629300000000 ] - [ 0.0000772900000000, -0.0000846100000000, 0.0001270600000000 ] - [ 0.0001931200000000, 0.0001038400000000, 0.0002598900000000 ] - [ -0.0003746600000000, 0.0006410900000000, -0.0003554100000000 ] - [ -0.0006735100000000, 0.0000244900000000, 0.0011056500000000 ] - [ 0.0000744400000000, -0.0004532400000000, -0.0000154500000000 ] - [ 0.0001049800000000, 0.0000193400000000, -0.0001346100000000 ] - [ -0.0000650900000000, 0.0000769400000000, 0.0001095500000000 ] - [ 0.0001982400000000, 0.0001489600000000, -0.0002206300000000 ] - [ 0.0000066500000000, 0.0000105200000000, -0.0003698100000000 ] - [ -0.0405666900000000, 0.0732786100000000, -0.0086180700000000 ] - [ -0.0009594000000000, 0.0014412200000000, 0.0013849200000000 ] - [ 0.0016442800000000, 0.0005509300000000, 0.0006166700000000 ] - [ -0.0007897200000000, -0.0000458400000000, -0.0004542200000000 ] - [ -0.0000358200000000, -0.0002927200000000, -0.0004406400000000 ] - [ -0.0000253200000000, -0.0001588900000000, -0.0000840500000000 ] - [ 0.0003436800000000, -0.0002307600000000, -0.0000174300000000 ] - [ 0.0004137300000000, 0.0007114700000000, -0.0004840300000000 ] - [ -0.0001098800000000, 0.0000289700000000, 0.0001256200000000 ] - [ -0.0125385400000000, 0.0052231500000000, 0.0223471400000000 ] - [ 0.0003221700000000, 0.0000483000000000, 0.0002349900000000 ] - [ -0.0005286700000000, 0.0008920200000000, 0.0002898500000000 ] - [ -0.0000365900000000, -0.0001697300000000, -0.0003231900000000 ] - [ -0.0000969300000000, 0.0001114500000000, -0.0001001400000000 ] - [ 0.0001998400000000, -0.0002042200000000, 0.0001788200000000 ] - [ 0.0000965000000000, -0.0002111900000000, -0.0001824600000000 ] - [ 0.0000151000000000, 0.0000100400000000, -0.0000814700000000 ] - [ -0.0005247200000000, -0.0000335500000000, -0.0003660500000000 ] - [ 0.0001911200000000, 0.0001394700000000, 0.0000850200000000 ] - [ 0.0000161800000000, -0.0000322600000000, 0.0009237000000000 ] - [ -0.0002264700000000, 0.0000269500000000, -0.0001806200000000 ] - [ 0.0000783100000000, 0.0001318600000000, 0.0001429400000000 ] - [ 0.0029978400000000, 0.0144999800000000, 0.0220857900000000 ] - [ 0.0003909000000000, -0.0006780800000000, 0.0000952500000000 ] - [ 0.0005481700000000, -0.0002666400000000, -0.0000755700000000 ] - [ 0.0004356200000000, 0.0002861700000000, -0.0001439900000000 ] - [ -0.0002208800000000, 0.0000614900000000, -0.0002231600000000 ] - [ -0.0001063400000000, -0.0005537700000000, 0.0002860300000000 ] - [ 0.0000965800000000, 0.0000389300000000, -0.0003298600000000 ] - [ 0.0000232100000000, -0.0001629900000000, 0.0000332000000000 ] - [ 0.0011665200000000, -0.0022547400000000, -0.0008195900000000 ] - [ -0.0006369900000000, -0.0000719700000000, -0.0004876500000000 ] - [ -0.0001164900000000, -0.0000250100000000, 0.0000990600000000 ] - [ -0.0001232400000000, 0.0001143700000000, 0.0003356400000000 ] - [ 0.0004632500000000, -0.0007106400000000, -0.0002118100000000 ] - [ 0.0001914800000000, -0.0000373300000000, -0.0001746700000000 ] - [ -0.0002248900000000, -0.0001362500000000, 0.0002514500000000 ] - [ -0.0004145900000000, 0.0017026300000000, 0.0006239500000000 ] - [ -0.0000969000000000, 0.0000991200000000, -0.0000878600000000 ] - [ 0.0003422300000000, -0.0005365100000000, -0.0006598900000000 ] - [ 0.0001685800000000, 0.0000222900000000, -0.0000868100000000 ] - [ -0.0011201600000000, 0.0007544100000000, 0.0000758900000000 ] - [ -0.0000384700000000, -0.0001599200000000, -0.0003258700000000 ] - [ 0.0003235800000000, -0.0006682200000000, -0.0002246700000000 ] - [ 0.0015510700000000, -0.0021719600000000, -0.0008744600000000 ] - [ 0.0003274200000000, -0.0005496000000000, 0.0007393000000000 ] - [ 0.0007712400000000, 0.0007712300000000, -0.0004214700000000 ] - [ 0.0018377000000000, 0.0006629500000000, 0.0007744500000000 ] - [ 0.0005109700000000, 0.0003953800000000, 0.0000101100000000 ] - [ 0.0002074400000000, -0.0000809700000000, 0.0003283700000000 ] - [ 0.0000082700000000, -0.0004000900000000, 0.0002414000000000 ] - [ 0.0009435100000000, 0.0008563300000000, -0.0007216300000000 ] - [ -0.0001173200000000, -0.0007211600000000, -0.0001374200000000 ] - [ 0.0000003500000000, -0.0001059300000000, -0.0000559900000000 ] - [ -0.0001763200000000, 0.0004672500000000, -0.0000736700000000 ] - [ 0.0001022300000000, 0.0001269800000000, -0.0001074000000000 ] - [ -0.0000322200000000, -0.0000049900000000, 0.0007764100000000 ] - [ 0.0004315300000000, -0.0007054300000000, -0.0004614000000000 ] - [ 0.0003898000000000, 0.0006818400000000, -0.0004548800000000 ] - [ 0.0004783400000000, -0.0036695900000000, -0.0429770400000000 ] - [ -0.0006315200000000, 0.0001461500000000, -0.0005454000000000 ] - [ -0.0008635500000000, 0.0000195600000000, -0.0004908700000000 ] - [ 0.0000691300000000, -0.0002818000000000, -0.0005027300000000 ] - [ 0.0003760200000000, -0.0007416100000000, -0.0004835700000000 ] - [ -0.0011770100000000, -0.0006691700000000, 0.0000479900000000 ] - [ 0.0005306000000000, -0.0003245900000000, 0.0002746000000000 ] - [ 0.0010791300000000, -0.0017834900000000, 0.0003506900000000 ] - [ 0.0000737000000000, -0.0003103200000000, 0.0001991600000000 ] - [ 0.0001072900000000, 0.0003931400000000, -0.0002241300000000 ] - [ -0.0004936600000000, -0.0002213000000000, -0.0001467100000000 ] - [ -0.0000050300000000, 0.0002694100000000, 0.0002542900000000 ] - [ -0.0024418700000000, -0.0015234400000000, 0.0011841500000000 ] - [ -0.0004477600000000, 0.0007748400000000, -0.0004008000000000 ] - [ -0.0000764400000000, 0.0000507200000000, -0.0003357000000000 ] - [ -0.0000060600000000, -0.0002125500000000, 0.0002610400000000 ] - [ 0.0000460700000000, -0.0000651200000000, -0.0000185200000000 ] - [ 0.0003373200000000, -0.0008285100000000, 0.0007542400000000 ] - [ -0.0004197600000000, -0.0006172300000000, 0.0004082800000000 ] - [ 0.0007483800000000, 0.0003604500000000, 0.0000347300000000 ] - [ 0.0000241800000000, -0.0000379900000000, 0.0000228100000000 ] - [ 0.0006464800000000, -0.0012155200000000, -0.0005742800000000 ] - [ -0.0000439100000000, 0.0000285600000000, 0.0000230200000000 ] - [ 0.0012391200000000, -0.0017824800000000, 0.0002633200000000 ] - [ 0.0000254900000000, 0.0000019000000000, -0.0000200900000000 ] - [ 0.0000551300000000, -0.0000696400000000, -0.0003392100000000 ] - [ -0.0000845200000000, 0.0000600600000000, -0.0000210800000000 ] - [ 0.0000203800000000, 0.0000085100000000, 0.0000215100000000 ] - [ -0.0003427300000000, 0.0007025500000000, -0.0004240200000000 ] - [ -0.0008217700000000, -0.0009542200000000, 0.0000670300000000 ] - [ 0.0000707600000000, -0.0000913300000000, -0.0003613500000000 ] - [ 0.0005151300000000, 0.0002737800000000, -0.0002288700000000 ] - [ 0.0009230700000000, 0.0000537100000000, 0.0005347300000000 ] - [ -0.0004961300000000, -0.0001255000000000, -0.0002434300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000059100000000, 0.0002553400000000, -0.0000108600000000 ] - [ -0.0000790400000000, 0.0001288100000000, -0.0004229400000000 ] - [ -0.0009837400000000, -0.0005155500000000, -0.0004623700000000 ] - [ 0.0001883100000000, 0.0001733700000000, -0.0009436000000000 ] - [ 0.0026863000000000, 0.0010105800000000, 0.0021977700000000 ] - [ 0.0007700300000000, 0.0013541100000000, -0.0033372900000000 ] - [ 0.0006363500000000, -0.0001329200000000, -0.0000232800000000 ] - [ 0.0026863000000000, -0.0010105800000000, 0.0021977700000000 ] - [ -0.0000420700000000, -0.0003380400000000, 0.0009203000000000 ] - [ -0.0004725200000000, 0.0005182000000000, -0.0000460200000000 ] - [ 0.0001883100000000, -0.0001733700000000, -0.0009436000000000 ] - [ -0.0022042800000000, 0.0016109400000000, 0.0023112100000000 ] - [ -0.0002947700000000, -0.0005083600000000, -0.0013702900000000 ] - [ -0.0010574700000000, -0.0019885200000000, 0.0032220200000000 ] - [ -0.0002594600000000, -0.0027833200000000, 0.0024731500000000 ] - [ -0.0000790400000000, -0.0001288100000000, -0.0004229400000000 ] - [ -0.0003009500000000, 0.0000000000000000, -0.0008872900000000 ] - [ 0.0001695900000000, 0.0000871600000000, -0.0004615900000000 ] - [ -0.0000563600000000, 0.0001854900000000, -0.0006387300000000 ] - [ -0.0002947700000000, 0.0005083600000000, -0.0013702900000000 ] - [ 0.0006363500000000, 0.0001329200000000, -0.0000232800000000 ] - [ 0.0001853400000000, 0.0000392300000000, -0.0006374900000000 ] - [ 0.0000059100000000, -0.0002553400000000, -0.0000108600000000 ] - [ 0.0001098600000000, 0.0000000000000000, -0.0000168400000000 ] - [ 0.0001844800000000, 0.0000000000000000, -0.0005411800000000 ] - [ -0.0001332300000000, -0.0001445500000000, -0.0008701800000000 ] - [ 0.0000316000000000, -0.0000046000000000, -0.0007573100000000 ] - [ 0.0002791800000000, 0.0001878700000000, 0.0011195900000000 ] - [ 0.0002417300000000, 0.0011850800000000, -0.0003617000000000 ] - [ -0.0010574700000000, 0.0019885200000000, 0.0032220200000000 ] - [ -0.0011127700000000, 0.0000000000000000, -0.0034577500000000 ] - [ -0.0002000900000000, 0.0000000000000000, 0.0010358900000000 ] - [ -0.0003549800000000, 0.0003064800000000, 0.0011186400000000 ] - [ -0.0003549800000000, -0.0003064800000000, 0.0011186400000000 ] - [ -0.0002594600000000, 0.0027833200000000, 0.0024731500000000 ] - [ -0.0001515300000000, -0.0001039300000000, -0.0004602700000000 ] - [ -0.0003062300000000, 0.0006872500000000, 0.0000491100000000 ] - [ -0.0022042800000000, -0.0016109400000000, 0.0023112100000000 ] - [ -0.0003062300000000, -0.0006872500000000, 0.0000491100000000 ] - [ -0.0000420700000000, 0.0003380400000000, 0.0009203000000000 ] - [ 0.0001968800000000, 0.0000020500000000, -0.0008713800000000 ] - [ 0.0001695900000000, -0.0000871600000000, -0.0004615900000000 ] - [ 0.0000316000000000, 0.0000046000000000, -0.0007573100000000 ] - [ 0.0007700300000000, -0.0013541100000000, -0.0033372900000000 ] - [ -0.0000563600000000, -0.0001854900000000, -0.0006387300000000 ] - [ 0.0002417300000000, -0.0011850800000000, -0.0003617000000000 ] - [ -0.0001332300000000, 0.0001445500000000, -0.0008701800000000 ] - [ -0.0001243100000000, -0.0001376700000000, -0.0007910200000000 ] - [ -0.0001243100000000, 0.0001376700000000, -0.0007910200000000 ] - [ 0.0003911700000000, 0.0000000000000000, -0.0012391300000000 ] - [ 0.0002791800000000, -0.0001878700000000, 0.0011195900000000 ] - [ 0.0006901400000000, 0.0006617700000000, -0.0003430200000000 ] - [ -0.0001515300000000, 0.0001039300000000, -0.0004602700000000 ] - [ -0.0000632900000000, 0.0000463800000000, 0.0012306900000000 ] - [ -0.0009837400000000, 0.0005155500000000, -0.0004623700000000 ] - [ 0.0001853400000000, -0.0000392300000000, -0.0006374900000000 ] - [ -0.0004725200000000, -0.0005182000000000, -0.0000460200000000 ] - [ 0.0006901400000000, -0.0006617700000000, -0.0003430200000000 ] - [ -0.0000934000000000, -0.0001625500000000, -0.0003926400000000 ] - [ -0.0000934000000000, 0.0001625500000000, -0.0003926400000000 ] - [ 0.0001968800000000, -0.0000020500000000, -0.0008713800000000 ] - [ -0.0000632900000000, -0.0000463800000000, 0.0012306900000000 ] - [ 0.0041092600000000, 0.0000000000000000, 0.0028517800000000 ] - [ -0.0000266400000000, -0.0000540300000000, -0.0003772000000000 ] - [ -0.0002687600000000, -0.0003360900000000, -0.0018651600000000 ] - [ -0.0018426800000000, 0.0030304300000000, 0.0003248600000000 ] - [ 0.0000096100000000, 0.0000147500000000, -0.0025372700000000 ] - [ 0.0005355100000000, -0.0004902000000000, -0.0021120100000000 ] - [ 0.0000096100000000, -0.0000147500000000, -0.0025372700000000 ] - [ -0.0048780600000000, 0.0000000000000000, 0.0064522000000000 ] - [ 0.0024889100000000, 0.0000000000000000, -0.0019802200000000 ] - [ 0.0000823900000000, 0.0001626700000000, 0.0031692200000000 ] - [ 0.0096179700000000, 0.0000000000000000, 0.3380448200000000 ] - [ -0.0010819500000000, 0.0000000000000000, -0.0021658000000000 ] - [ -0.0018426800000000, -0.0030304300000000, 0.0003248600000000 ] - [ 0.0000823900000000, -0.0001626700000000, 0.0031692200000000 ] - [ 0.0001384100000000, 0.0000000000000000, -0.0075799500000000 ] - [ -0.0000266400000000, 0.0000540300000000, -0.0003772000000000 ] - [ 0.0005355100000000, 0.0004902000000000, -0.0021120100000000 ] - [ 0.0005352500000000, 0.0000000000000000, -0.0018600700000000 ] - [ 0.0018983600000000, 0.0029041500000000, 0.0007803500000000 ] - [ 0.0018983600000000, -0.0029041500000000, 0.0007803500000000 ] - [ 0.0000664300000000, 0.0000000000000000, -0.0018350200000000 ] - [ -0.0002687600000000, 0.0003360900000000, -0.0018651600000000 ] - [ -0.0001481500000000, -0.0002502100000000, 0.0003644200000000 ] - [ -0.0001481500000000, 0.0002502100000000, 0.0003644200000000 ] - [ 0.0004106100000000, 0.0000000000000000, 0.0006648900000000 ] - [ 0.0001666700000000, -0.0003116700000000, 0.0008656300000000 ] - [ 0.0002814200000000, 0.0001973700000000, 0.0010230000000000 ] - [ -0.0001251700000000, 0.0000000000000000, 0.0036110800000000 ] - [ -0.0004263200000000, -0.0006663200000000, -0.0001381200000000 ] - [ 0.0000583800000000, -0.0008723100000000, -0.0001628900000000 ] - [ -0.0000348900000000, 0.0001908000000000, 0.0005696600000000 ] - [ 0.0006345900000000, 0.0000000000000000, 0.0009776800000000 ] - [ 0.0002370500000000, 0.0000349700000000, 0.0003653800000000 ] - [ 0.0000169200000000, 0.0000000000000000, 0.0010249600000000 ] - [ -0.0155444200000000, 0.0000000000000000, -0.4208623200000000 ] - [ -0.0001299900000000, -0.0000766200000000, 0.0037489100000000 ] - [ 0.0019520900000000, 0.0000000000000000, -0.0006346100000000 ] - [ -0.0005985100000000, -0.0000147600000000, 0.0002250100000000 ] - [ 0.0000583800000000, 0.0008723100000000, -0.0001628900000000 ] - [ -0.0000372100000000, -0.0000778000000000, 0.0004619900000000 ] - [ 0.0007351500000000, -0.0004196300000000, -0.0001669500000000 ] - [ 0.0003124900000000, 0.0005028300000000, 0.0002782700000000 ] - [ -0.0004146200000000, 0.0000000000000000, 0.0009408300000000 ] - [ -0.0063930500000000, -0.0136189400000000, 0.0246371500000000 ] - [ 0.0004954500000000, 0.0001802200000000, 0.0003224800000000 ] - [ -0.0016403500000000, 0.0004041200000000, 0.0008080300000000 ] - [ -0.0001314500000000, 0.0000375000000000, 0.0012069000000000 ] - [ -0.0003611900000000, -0.0005150500000000, 0.0007324700000000 ] - [ 0.0000167900000000, -0.0000085600000000, -0.0019712500000000 ] - [ -0.0000323000000000, 0.0001573700000000, 0.0005387600000000 ] - [ -0.0000372100000000, 0.0000778000000000, 0.0004619900000000 ] - [ 0.0007036300000000, 0.0011869700000000, -0.0005445200000000 ] - [ -0.0001501600000000, 0.0004262000000000, 0.0002955100000000 ] - [ 0.0000237400000000, -0.0000422400000000, 0.0022041200000000 ] - [ -0.0003457200000000, 0.0000000000000000, 0.0005818300000000 ] - [ 0.0001666700000000, 0.0003116700000000, 0.0008656300000000 ] - [ 0.0162356100000000, 0.0000000000000000, 0.0219142000000000 ] - [ 0.0013711500000000, -0.0022404300000000, 0.0002119900000000 ] - [ -0.0007526300000000, 0.0000508600000000, -0.0012255000000000 ] - [ 0.0005101400000000, 0.0006108500000000, -0.0012189500000000 ] - [ -0.0001397100000000, -0.0000688500000000, 0.0003578200000000 ] - [ -0.0001968500000000, -0.0004456500000000, 0.0003310200000000 ] - [ -0.0002412600000000, 0.0000000000000000, 0.0010443100000000 ] - [ -0.0000348900000000, -0.0001908000000000, 0.0005696600000000 ] - [ -0.0013714100000000, 0.0014890700000000, -0.0009883200000000 ] - [ 0.0007351500000000, 0.0004196300000000, -0.0001669500000000 ] - [ -0.0001968500000000, 0.0004456500000000, 0.0003310200000000 ] - [ 0.0001860300000000, 0.0000971200000000, 0.0009710900000000 ] - [ 0.0005101400000000, -0.0006108500000000, -0.0012189500000000 ] - [ 0.0002370500000000, -0.0000349700000000, 0.0003653800000000 ] - [ 0.0001860300000000, -0.0000971200000000, 0.0009710900000000 ] - [ 0.0027554600000000, 0.0000732500000000, -0.0009739000000000 ] - [ -0.0001314500000000, -0.0000375000000000, 0.0012069000000000 ] - [ -0.0004263200000000, 0.0006663200000000, -0.0001381200000000 ] - [ 0.0002684600000000, 0.0000000000000000, 0.0012092000000000 ] - [ -0.0013714100000000, -0.0014890700000000, -0.0009883200000000 ] - [ -0.0001397100000000, 0.0000688500000000, 0.0003578200000000 ] - [ 0.0002170600000000, -0.0005255300000000, -0.0012790300000000 ] - [ -0.0008033700000000, 0.0019583200000000, -0.0009339800000000 ] - [ 0.0007036300000000, -0.0011869700000000, -0.0005445200000000 ] - [ 0.0001884200000000, 0.0000000000000000, -0.0045534100000000 ] - [ 0.0027554600000000, -0.0000732500000000, -0.0009739000000000 ] - [ -0.0009016000000000, 0.0000000000000000, -0.0002048400000000 ] - [ 0.0002814200000000, -0.0001973700000000, 0.0010230000000000 ] - [ -0.0001501600000000, -0.0004262000000000, 0.0002955100000000 ] - [ -0.0016403500000000, -0.0004041200000000, 0.0008080300000000 ] - [ 0.0002170600000000, 0.0005255300000000, -0.0012790300000000 ] - [ 0.0001236800000000, -0.0003204000000000, 0.0010503000000000 ] - [ 0.0000740600000000, 0.0000000000000000, 0.0038183500000000 ] - [ -0.0000323000000000, -0.0001573700000000, 0.0005387600000000 ] - [ 0.0000237400000000, 0.0000422400000000, 0.0022041200000000 ] - [ 0.0003124900000000, -0.0005028300000000, 0.0002782700000000 ] - [ 0.0002733000000000, 0.0005311200000000, 0.0002250900000000 ] - [ -0.0063930500000000, 0.0136189400000000, 0.0246371500000000 ] - [ 0.0013711500000000, 0.0022404300000000, 0.0002119900000000 ] - [ -0.0005985100000000, 0.0000147600000000, 0.0002250100000000 ] - [ -0.0003611900000000, 0.0005150500000000, 0.0007324700000000 ] - [ 0.0002733000000000, -0.0005311200000000, 0.0002250900000000 ] - [ -0.0009159000000000, -0.0014824200000000, -0.0008811200000000 ] - [ 0.0004954500000000, -0.0001802200000000, 0.0003224800000000 ] - [ -0.0009159000000000, 0.0014824200000000, -0.0008811200000000 ] - [ 0.0000167900000000, 0.0000085600000000, -0.0019712500000000 ] - [ -0.0004031300000000, 0.0000000000000000, 0.0011889700000000 ] - [ -0.0007526300000000, -0.0000508600000000, -0.0012255000000000 ] - [ -0.0002647000000000, -0.0000592900000000, 0.0009701600000000 ] - [ -0.0008033700000000, -0.0019583200000000, -0.0009339800000000 ] - [ -0.0001299900000000, 0.0000766200000000, 0.0037489100000000 ] - [ 0.0001236800000000, 0.0003204000000000, 0.0010503000000000 ] - [ -0.0002647000000000, 0.0000592900000000, 0.0009701600000000 ] - [ 0.0000270900000000, -0.0000493700000000, 0.0005380300000000 ] - [ 0.0005420600000000, -0.0011866400000000, 0.0000808100000000 ] - [ -0.0009195700000000, -0.0016911100000000, 0.0001338700000000 ] - [ 0.0001570400000000, 0.0000000000000000, -0.0020774900000000 ] - [ 0.0000212500000000, -0.0000359000000000, 0.0006322500000000 ] - [ -0.0009195700000000, 0.0016911100000000, 0.0001338700000000 ] - [ -0.0000332000000000, 0.0000000000000000, 0.0010335700000000 ] - [ -0.0000153900000000, 0.0003612000000000, -0.0024004200000000 ] - [ 0.0000270900000000, 0.0000493700000000, 0.0005380300000000 ] - [ -0.0000055600000000, -0.0000013600000000, -0.0001498400000000 ] - [ -0.0000403100000000, 0.0000000000000000, 0.0009645300000000 ] - [ 0.0000212500000000, 0.0000359000000000, 0.0006322500000000 ] - [ 0.0000071600000000, 0.0000000000000000, 0.0020961200000000 ] - [ -0.0000153900000000, -0.0003612000000000, -0.0024004200000000 ] - [ -0.0000055600000000, 0.0000013600000000, -0.0001498400000000 ] - [ -0.0011319300000000, 0.0000000000000000, 0.0000671600000000 ] - [ 0.0024048900000000, 0.0000000000000000, 0.0004963400000000 ] - [ 0.0005420600000000, 0.0011866400000000, 0.0000808100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000458600000000, 0.0001723300000000, 0.0004426400000000 ] - [ -0.0000357300000000, 0.0000855600000000, 0.0007660300000000 ] - [ 0.0009230700000000, 0.0006279900000000, 0.0007487300000000 ] - [ -0.0001726000000000, -0.0004556700000000, 0.0011888000000000 ] - [ -0.0029497200000000, -0.0005594700000000, -0.0026628400000000 ] - [ -0.0009951600000000, -0.0017461600000000, 0.0033444000000000 ] - [ -0.0001851900000000, 0.0001385100000000, 0.0000112500000000 ] - [ -0.0029497200000000, 0.0005594700000000, -0.0026628400000000 ] - [ -0.0000864000000000, 0.0005749200000000, -0.0007959400000000 ] - [ 0.0002473000000000, -0.0001323700000000, 0.0000360900000000 ] - [ -0.0001726000000000, 0.0004556700000000, 0.0011888000000000 ] - [ 0.0020753200000000, -0.0020525700000000, -0.0025866700000000 ] - [ 0.0000987300000000, 0.0000911900000000, 0.0007857300000000 ] - [ 0.0011650900000000, 0.0019950900000000, -0.0026423800000000 ] - [ 0.0006972000000000, 0.0026834600000000, -0.0027566200000000 ] - [ -0.0000357300000000, -0.0000855600000000, 0.0007660300000000 ] - [ 0.0005519800000000, 0.0000000000000000, 0.0012283300000000 ] - [ 0.0000677400000000, 0.0000824300000000, 0.0007053400000000 ] - [ 0.0000258100000000, 0.0001156400000000, 0.0007422900000000 ] - [ 0.0000987300000000, -0.0000911900000000, 0.0007857300000000 ] - [ -0.0001851900000000, -0.0001385100000000, 0.0000112500000000 ] - [ 0.0000859500000000, 0.0000801400000000, 0.0007453800000000 ] - [ 0.0000458600000000, -0.0001723300000000, 0.0004426400000000 ] - [ 0.0000115500000000, 0.0000000000000000, 0.0003063100000000 ] - [ 0.0000946200000000, 0.0000000000000000, 0.0011302300000000 ] - [ -0.0001370900000000, -0.0002263500000000, 0.0002843600000000 ] - [ -0.0001399000000000, 0.0002000600000000, 0.0004253800000000 ] - [ -0.0004331700000000, -0.0002426200000000, -0.0006129700000000 ] - [ 0.0000985200000000, -0.0009333200000000, 0.0007934400000000 ] - [ 0.0011650900000000, -0.0019950900000000, -0.0026423800000000 ] - [ 0.0018629900000000, 0.0000000000000000, 0.0035121200000000 ] - [ 0.0007141500000000, 0.0000000000000000, -0.0014871500000000 ] - [ 0.0004843200000000, -0.0002089500000000, -0.0006141300000000 ] - [ 0.0004843200000000, 0.0002089500000000, -0.0006141300000000 ] - [ 0.0006972000000000, -0.0026834600000000, -0.0027566200000000 ] - [ -0.0001087300000000, -0.0000116100000000, 0.0007072600000000 ] - [ -0.0000738700000000, -0.0000418700000000, -0.0000104100000000 ] - [ 0.0020753200000000, 0.0020525700000000, -0.0025866700000000 ] - [ -0.0000738700000000, 0.0000418700000000, -0.0000104100000000 ] - [ -0.0000864000000000, -0.0005749200000000, -0.0007959400000000 ] - [ 0.0002685100000000, 0.0000541000000000, 0.0002853400000000 ] - [ 0.0000677400000000, -0.0000824300000000, 0.0007053400000000 ] - [ -0.0001399000000000, -0.0002000600000000, 0.0004253800000000 ] - [ -0.0009951600000000, 0.0017461600000000, 0.0033444000000000 ] - [ 0.0000258100000000, -0.0001156400000000, 0.0007422900000000 ] - [ 0.0000985200000000, 0.0009333200000000, 0.0007934400000000 ] - [ -0.0001370900000000, 0.0002263500000000, 0.0002843600000000 ] - [ -0.0001179700000000, -0.0000406500000000, 0.0008943500000000 ] - [ -0.0001179700000000, 0.0000406500000000, 0.0008943500000000 ] - [ -0.0001640400000000, 0.0000000000000000, 0.0009130700000000 ] - [ -0.0004331700000000, 0.0002426200000000, -0.0006129700000000 ] - [ -0.0010850100000000, -0.0004896800000000, 0.0007729600000000 ] - [ -0.0001087300000000, 0.0000116100000000, 0.0007072600000000 ] - [ -0.0002458700000000, 0.0002817700000000, -0.0014940900000000 ] - [ 0.0009230700000000, -0.0006279900000000, 0.0007487300000000 ] - [ 0.0000859500000000, -0.0000801400000000, 0.0007453800000000 ] - [ 0.0002473000000000, 0.0001323700000000, 0.0000360900000000 ] - [ -0.0010850100000000, 0.0004896800000000, 0.0007729600000000 ] - [ -0.0000426000000000, -0.0000809100000000, 0.0009808800000000 ] - [ -0.0000426000000000, 0.0000809100000000, 0.0009808800000000 ] - [ 0.0002685100000000, -0.0000541000000000, 0.0002853400000000 ] - [ -0.0002458700000000, -0.0002817700000000, -0.0014940900000000 ] - [ -0.0039793600000000, 0.0000000000000000, -0.0026690400000000 ] - [ 0.0000811100000000, -0.0000400500000000, 0.0009809300000000 ] - [ 0.0001999200000000, 0.0004529200000000, 0.0021039300000000 ] - [ 0.0018511600000000, -0.0030499500000000, -0.0001685000000000 ] - [ -0.0000096700000000, -0.0000148800000000, 0.0015485700000000 ] - [ -0.0002566500000000, 0.0009817000000000, 0.0020189900000000 ] - [ -0.0000096700000000, 0.0000148800000000, 0.0015485700000000 ] - [ 0.0049104200000000, 0.0000000000000000, -0.0055565400000000 ] - [ -0.0025031200000000, 0.0000000000000000, 0.0013104500000000 ] - [ 0.0001524900000000, 0.0002443700000000, -0.0036591100000000 ] - [ -0.0111283500000000, 0.0000000000000000, -0.3638025800000000 ] - [ 0.0005207000000000, 0.0000000000000000, 0.0020731900000000 ] - [ 0.0018511600000000, 0.0030499500000000, -0.0001685000000000 ] - [ 0.0001524900000000, -0.0002443700000000, -0.0036591100000000 ] - [ -0.0002476500000000, 0.0000000000000000, 0.0081733300000000 ] - [ 0.0000811100000000, 0.0000400500000000, 0.0009809300000000 ] - [ -0.0002566500000000, -0.0009817000000000, 0.0020189900000000 ] - [ -0.0004010200000000, 0.0000000000000000, 0.0020972800000000 ] - [ -0.0019134100000000, -0.0029327100000000, -0.0013526300000000 ] - [ -0.0019134100000000, 0.0029327100000000, -0.0013526300000000 ] - [ -0.0000664800000000, 0.0000000000000000, 0.0025391700000000 ] - [ 0.0001999200000000, -0.0004529200000000, 0.0021039300000000 ] - [ 0.0001462300000000, 0.0002499000000000, -0.0006082100000000 ] - [ 0.0001462300000000, -0.0002499000000000, -0.0006082100000000 ] - [ -0.0004087700000000, 0.0000000000000000, -0.0003393100000000 ] - [ -0.0000468500000000, 0.0001059400000000, -0.0006154700000000 ] - [ 0.0001514200000000, -0.0000048100000000, -0.0004810100000000 ] - [ 0.0007599400000000, 0.0000000000000000, -0.0031783100000000 ] - [ 0.0004273400000000, 0.0006680400000000, 0.0011885800000000 ] - [ 0.0001409600000000, 0.0011521500000000, -0.0004872600000000 ] - [ 0.0001917200000000, 0.0000712700000000, -0.0006655800000000 ] - [ -0.0009385300000000, 0.0000000000000000, -0.0010746200000000 ] - [ 0.0000300500000000, 0.0001081600000000, -0.0008670400000000 ] - [ -0.0000184700000000, 0.0000000000000000, -0.0018497700000000 ] - [ 0.0167001400000000, 0.0000000000000000, 0.4481480100000000 ] - [ -0.0003728400000000, 0.0004630000000000, -0.0033679600000000 ] - [ -0.0008457400000000, 0.0000000000000000, 0.0014415500000000 ] - [ -0.0010693300000000, -0.0000324200000000, -0.0011993700000000 ] - [ 0.0001409600000000, -0.0011521500000000, -0.0004872600000000 ] - [ -0.0000561000000000, -0.0000761400000000, -0.0006789000000000 ] - [ -0.0010735600000000, 0.0004577000000000, -0.0004815700000000 ] - [ 0.0005585900000000, 0.0009157800000000, -0.0012530900000000 ] - [ 0.0001767600000000, 0.0000000000000000, -0.0006908000000000 ] - [ 0.0068711600000000, 0.0145020600000000, -0.0254674200000000 ] - [ 0.0000906900000000, 0.0000601200000000, 0.0000533800000000 ] - [ 0.0015252700000000, -0.0001914600000000, -0.0008061000000000 ] - [ -0.0000001200000000, -0.0002740600000000, -0.0015905200000000 ] - [ 0.0003572200000000, 0.0008207300000000, -0.0012352200000000 ] - [ -0.0000621000000000, 0.0000825500000000, 0.0024382900000000 ] - [ 0.0002669600000000, -0.0005601200000000, -0.0008834700000000 ] - [ -0.0000561000000000, 0.0000761400000000, -0.0006789000000000 ] - [ -0.0007054700000000, -0.0011928900000000, 0.0005220000000000 ] - [ 0.0000712800000000, 0.0001977900000000, 0.0000804200000000 ] - [ -0.0000263300000000, 0.0000428900000000, -0.0005714400000000 ] - [ -0.0001187400000000, 0.0000000000000000, -0.0009257000000000 ] - [ -0.0000468500000000, -0.0001059400000000, -0.0006154700000000 ] - [ -0.0169260100000000, 0.0000000000000000, -0.0227056900000000 ] - [ -0.0012409400000000, 0.0019444000000000, -0.0008622100000000 ] - [ 0.0002191800000000, -0.0000397200000000, 0.0009831500000000 ] - [ -0.0002566200000000, -0.0001423000000000, 0.0009760500000000 ] - [ -0.0001158400000000, 0.0002299700000000, -0.0008594200000000 ] - [ -0.0001250200000000, -0.0001065800000000, 0.0000954800000000 ] - [ 0.0003726300000000, 0.0000000000000000, -0.0015461100000000 ] - [ 0.0001917200000000, -0.0000712700000000, -0.0006655800000000 ] - [ 0.0012967500000000, -0.0016572300000000, 0.0012970300000000 ] - [ -0.0010735600000000, -0.0004577000000000, -0.0004815700000000 ] - [ -0.0001250200000000, 0.0001065800000000, 0.0000954800000000 ] - [ -0.0005621400000000, 0.0001771500000000, -0.0004298800000000 ] - [ -0.0002566200000000, 0.0001423000000000, 0.0009760500000000 ] - [ 0.0000300500000000, -0.0001081600000000, -0.0008670400000000 ] - [ -0.0005621400000000, -0.0001771500000000, -0.0004298800000000 ] - [ -0.0033244400000000, 0.0008955900000000, 0.0017768000000000 ] - [ -0.0000001200000000, 0.0002740600000000, -0.0015905200000000 ] - [ 0.0004273400000000, -0.0006680400000000, 0.0011885800000000 ] - [ 0.0000045800000000, 0.0000000000000000, -0.0015918200000000 ] - [ 0.0012967500000000, 0.0016572300000000, 0.0012970300000000 ] - [ -0.0001158400000000, -0.0002299700000000, -0.0008594200000000 ] - [ -0.0001160700000000, 0.0003426800000000, 0.0009497100000000 ] - [ 0.0009861100000000, -0.0019711700000000, 0.0012424900000000 ] - [ -0.0007054700000000, 0.0011928900000000, 0.0005220000000000 ] - [ -0.0001969600000000, 0.0000000000000000, 0.0036769300000000 ] - [ -0.0033244400000000, -0.0008955900000000, 0.0017768000000000 ] - [ 0.0011578600000000, 0.0000000000000000, 0.0002129500000000 ] - [ 0.0001514200000000, 0.0000048100000000, -0.0004810100000000 ] - [ 0.0000712800000000, -0.0001977900000000, 0.0000804200000000 ] - [ 0.0015252700000000, 0.0001914600000000, -0.0008061000000000 ] - [ -0.0001160700000000, -0.0003426800000000, 0.0009497100000000 ] - [ -0.0001842000000000, 0.0002097100000000, -0.0015528800000000 ] - [ 0.0001017600000000, 0.0000000000000000, -0.0040342500000000 ] - [ 0.0002669600000000, 0.0005601200000000, -0.0008834700000000 ] - [ -0.0000263300000000, -0.0000428900000000, -0.0005714400000000 ] - [ 0.0005585900000000, -0.0009157800000000, -0.0012530900000000 ] - [ 0.0005158400000000, 0.0009368300000000, -0.0011997100000000 ] - [ 0.0068711600000000, -0.0145020600000000, -0.0254674200000000 ] - [ -0.0012409400000000, -0.0019444000000000, -0.0008622100000000 ] - [ -0.0010693300000000, 0.0000324200000000, -0.0011993700000000 ] - [ 0.0003572200000000, -0.0008207300000000, -0.0012352200000000 ] - [ 0.0005158400000000, -0.0009368300000000, -0.0011997100000000 ] - [ 0.0008354300000000, 0.0013514600000000, 0.0012012500000000 ] - [ 0.0000906900000000, -0.0000601200000000, 0.0000533800000000 ] - [ 0.0008354300000000, -0.0013514600000000, 0.0012012500000000 ] - [ -0.0000621000000000, -0.0000825500000000, 0.0024382900000000 ] - [ 0.0004024100000000, 0.0000000000000000, -0.0012815200000000 ] - [ 0.0002191800000000, 0.0000397200000000, 0.0009831500000000 ] - [ 0.0002124600000000, 0.0005203300000000, -0.0004291400000000 ] - [ 0.0009861100000000, 0.0019711700000000, 0.0012424900000000 ] - [ -0.0003728400000000, -0.0004630000000000, -0.0033679600000000 ] - [ -0.0001842000000000, -0.0002097100000000, -0.0015528800000000 ] - [ 0.0002124600000000, -0.0005203300000000, -0.0004291400000000 ] - [ 0.0000152700000000, -0.0000303800000000, -0.0005928100000000 ] - [ -0.0006594300000000, 0.0009851700000000, 0.0001123000000000 ] - [ 0.0009233000000000, 0.0016975900000000, 0.0000229700000000 ] - [ -0.0006160100000000, 0.0000000000000000, 0.0024240800000000 ] - [ 0.0000050200000000, -0.0000103500000000, -0.0006017500000000 ] - [ 0.0009233000000000, -0.0016975900000000, 0.0000229700000000 ] - [ -0.0000215200000000, 0.0000000000000000, -0.0010036200000000 ] - [ 0.0002475900000000, 0.0000435200000000, 0.0027487300000000 ] - [ 0.0000152700000000, 0.0000303800000000, -0.0005928100000000 ] - [ 0.0000209400000000, 0.0000206400000000, -0.0005583100000000 ] - [ -0.0000552900000000, 0.0000000000000000, -0.0010184000000000 ] - [ 0.0000050200000000, 0.0000103500000000, -0.0006017500000000 ] - [ -0.0000224200000000, 0.0000000000000000, -0.0028149300000000 ] - [ 0.0002475900000000, -0.0000435200000000, 0.0027487300000000 ] - [ 0.0000209400000000, -0.0000206400000000, -0.0005583100000000 ] - [ 0.0013724000000000, 0.0000000000000000, 0.0001253800000000 ] - [ -0.0024338700000000, 0.0000000000000000, -0.0003414700000000 ] - [ -0.0006594300000000, -0.0009851700000000, 0.0001123000000000 ]- atom: 98 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004659300000000, 0.0014815200000000, -0.0000511300000000 ] - [ -0.0006256900000000, 0.0002785600000000, -0.0002832400000000 ] - [ 0.0002111100000000, -0.0015528600000000, -0.0001700800000000 ] - [ 0.0002931900000000, -0.0009825300000000, 0.0010846500000000 ] - [ 0.0000178600000000, -0.0000272300000000, 0.0000420600000000 ] - [ -0.0000662700000000, -0.0002130800000000, 0.0000536700000000 ] - [ 0.0002024300000000, 0.0000448200000000, 0.0000786300000000 ] - [ -0.0000695400000000, -0.0000933600000000, 0.0003216400000000 ] - [ -0.0001320700000000, 0.0001330800000000, 0.0000373300000000 ] - [ -0.0001693100000000, 0.0001943300000000, 0.0000407300000000 ] - [ -0.0002545500000000, 0.0009192900000000, 0.0013323000000000 ] - [ -0.0001245100000000, -0.0001831400000000, -0.0003679000000000 ] - [ -0.0000656400000000, -0.0002141700000000, -0.0002231600000000 ] - [ 0.0008984300000000, -0.0006823000000000, 0.0003056700000000 ] - [ 0.0004865000000000, -0.0000158400000000, -0.0000384900000000 ] - [ -0.0003699000000000, -0.0004673500000000, -0.0002369200000000 ] - [ 0.0015358700000000, -0.0007626700000000, -0.0003113600000000 ] - [ -0.0001598300000000, -0.0000280200000000, 0.0001872600000000 ] - [ -0.0001288600000000, 0.0002034600000000, 0.0001819400000000 ] - [ -0.0000796800000000, 0.0002145400000000, -0.0002149300000000 ] - [ 0.0002307900000000, -0.0000457100000000, 0.0000554700000000 ] - [ 0.0001718500000000, 0.0000085400000000, 0.0001014000000000 ] - [ -0.0000995400000000, -0.0005215700000000, 0.0001215600000000 ] - [ -0.0014591100000000, -0.0000841100000000, 0.0002471600000000 ] - [ 0.0001277100000000, -0.0000148500000000, 0.0005894600000000 ] - [ -0.0001329200000000, -0.0001490900000000, -0.0002457300000000 ] - [ -0.0000990800000000, 0.0001223300000000, -0.0001392100000000 ] - [ -0.0009762900000000, -0.0002458400000000, -0.0000507300000000 ] - [ 0.0035498200000000, 0.0023923500000000, -0.0004483700000000 ] - [ 0.0023978800000000, 0.0004491500000000, 0.0013969900000000 ] - [ 0.0003990600000000, -0.0000092800000000, 0.0000464200000000 ] - [ -0.0001318800000000, -0.0000088900000000, -0.0000798000000000 ] - [ -0.0007158700000000, 0.0008875400000000, 0.0008434200000000 ] - [ 0.0000641400000000, -0.0005548700000000, 0.0002455600000000 ] - [ 0.0003180700000000, 0.0000648000000000, -0.0001986900000000 ] - [ -0.0002486400000000, 0.0003176300000000, 0.0001408400000000 ] - [ -0.0002034400000000, 0.0003295700000000, 0.0000718900000000 ] - [ -0.0001200000000000, 0.0001880000000000, -0.0003826700000000 ] - [ -0.0001756400000000, -0.0003024000000000, 0.0000747000000000 ] - [ 0.0002749200000000, 0.0005342300000000, 0.0004366900000000 ] - [ 0.0002045400000000, 0.0000171200000000, -0.0002388900000000 ] - [ -0.0001254000000000, 0.0002767900000000, 0.0001997500000000 ] - [ -0.0000826100000000, -0.0001251200000000, -0.0001382400000000 ] - [ -0.0000524300000000, 0.0001896900000000, 0.0000708600000000 ] - [ -0.0001494300000000, -0.0002013300000000, 0.0001742700000000 ] - [ 0.0005878000000000, 0.0004948700000000, -0.0000092900000000 ] - [ -0.0001166800000000, 0.0001658500000000, -0.0002469600000000 ] - [ 0.0000017400000000, -0.0000592700000000, 0.0002425800000000 ] - [ 0.0000747500000000, -0.0000886300000000, 0.0000343000000000 ] - [ 0.0001794200000000, -0.0000162300000000, -0.0001193500000000 ] - [ -0.0009080000000000, 0.0002328700000000, -0.0001048800000000 ] - [ -0.0030443600000000, -0.0023195300000000, 0.0007195900000000 ] - [ 0.0001850700000000, -0.0000419900000000, 0.0001787600000000 ] - [ -0.0002363700000000, 0.0003987400000000, -0.0000545000000000 ] - [ 0.0068116100000000, -0.0011813800000000, 0.0009742200000000 ] - [ 0.0000252600000000, 0.0000109800000000, -0.0000785500000000 ] - [ -0.0001695600000000, -0.0001939400000000, 0.0000486700000000 ] - [ -0.0029461600000000, 0.0025833700000000, 0.0008137000000000 ] - [ -0.0000170800000000, -0.0000215200000000, 0.0001869000000000 ] - [ -0.0000987700000000, 0.0001574300000000, 0.0003575100000000 ] - [ 0.0002003700000000, -0.0000072700000000, -0.0002432100000000 ] - [ -0.0001853100000000, -0.0002742500000000, -0.0002025400000000 ] - [ -0.0005899200000000, -0.0000291300000000, -0.0032750800000000 ] - [ -0.0027109000000000, -0.0001690800000000, -0.0001822700000000 ] - [ 0.0006712800000000, 0.0005685300000000, -0.0001512000000000 ] - [ -0.0000052500000000, 0.0000619600000000, 0.0000614600000000 ] - [ 0.0000843200000000, -0.0002400500000000, -0.0002372800000000 ] - [ 0.0001825500000000, 0.0002600000000000, -0.0000946800000000 ] - [ -0.0001640800000000, 0.0004121600000000, -0.0002296800000000 ] - [ -0.0038364500000000, -0.0044140200000000, 0.0028499900000000 ] - [ -0.0000667100000000, -0.0000619200000000, -0.0000472200000000 ] - [ -0.0000213200000000, 0.0002403600000000, -0.0001519000000000 ] - [ 0.0003474000000000, -0.0002468100000000, -0.0002959400000000 ] - [ -0.0003785000000000, -0.0000022000000000, 0.0002470900000000 ] - [ 0.0000223900000000, -0.0000249600000000, 0.0000466200000000 ] - [ -0.0003656300000000, -0.0000680900000000, 0.0000014300000000 ] - [ 0.1440695100000000, -0.1006614300000000, -0.0414012000000000 ] - [ -0.0003322500000000, 0.0011404700000000, 0.0001917300000000 ] - [ 0.0001863400000000, -0.0002663200000000, 0.0001427900000000 ] - [ -0.0014628900000000, -0.0000000300000000, 0.0024772200000000 ] - [ 0.0013626900000000, -0.0015653700000000, -0.0027587100000000 ] - [ 0.0001803100000000, 0.0022051100000000, -0.0018626800000000 ] - [ 0.0000345000000000, -0.0001123600000000, -0.0002199500000000 ] - [ 0.0004351200000000, -0.0000471500000000, -0.0044248700000000 ] - [ -0.0000234100000000, 0.0007659600000000, -0.0004938800000000 ] - [ 0.0001564000000000, -0.0009352700000000, -0.0003803500000000 ] - [ 0.0017985300000000, 0.0011362600000000, 0.0014660900000000 ] - [ 0.0001292700000000, -0.0001242600000000, 0.0002628700000000 ] - [ -0.0003340000000000, -0.0004348100000000, 0.0001487100000000 ] - [ 0.0316064600000000, -0.0393726300000000, -0.0071704100000000 ] - [ 0.0001007300000000, 0.0012752400000000, 0.0019040700000000 ] - [ 0.0000921000000000, 0.0000874400000000, -0.0003324100000000 ] - [ 0.0000578200000000, 0.0001065000000000, -0.0000472000000000 ] - [ -0.0001501000000000, 0.0000056200000000, -0.0001269500000000 ] - [ 0.0001968500000000, 0.0001229200000000, -0.0003385500000000 ] - [ -0.0000040200000000, 0.0000782000000000, 0.0001335400000000 ] - [ -0.0008663700000000, 0.0002931400000000, 0.0003488900000000 ] - [ -0.1637974700000000, 0.1425489000000000, 0.0578033700000000 ] - [ 0.0025695200000000, 0.0007432700000000, 0.0005059300000000 ] - [ -0.0007488100000000, -0.0001638200000000, -0.0005492200000000 ] - [ 0.0000760400000000, -0.0001074900000000, -0.0003280600000000 ] - [ 0.0000609900000000, -0.0002439200000000, 0.0000288200000000 ] - [ -0.0001509700000000, -0.0000028300000000, -0.0003366400000000 ] - [ 0.0003995800000000, 0.0008759300000000, -0.0006338600000000 ] - [ -0.0002984100000000, 0.0000513600000000, 0.0002512900000000 ] - [ -0.0000438600000000, 0.0002126100000000, -0.0000799100000000 ] - [ 0.0004649300000000, 0.0001612800000000, 0.0002864800000000 ] - [ -0.0000562500000000, 0.0001218500000000, -0.0001174100000000 ] - [ -0.0000896400000000, -0.0001241400000000, -0.0001199900000000 ] - [ -0.0000170600000000, 0.0001792100000000, -0.0003162300000000 ] - [ 0.0002733700000000, -0.0000877800000000, 0.0000669300000000 ] - [ 0.0000671600000000, -0.0003315700000000, -0.0001505200000000 ] - [ 0.0005608500000000, 0.0000109200000000, 0.0002111500000000 ] - [ -0.0000278500000000, 0.0000237500000000, 0.0000396100000000 ] - [ 0.0007282000000000, -0.0003384100000000, 0.0001033200000000 ] - [ 0.0000302500000000, -0.0000791900000000, 0.0006460200000000 ] - [ 0.0004022300000000, 0.0000233600000000, -0.0007658800000000 ] - [ 0.0001325900000000, 0.0002273400000000, 0.0002660300000000 ] - [ -0.0005574800000000, 0.0000151500000000, -0.0002066300000000 ] - [ 0.0000673400000000, -0.0001747300000000, -0.0003430800000000 ] - [ -0.0000011500000000, -0.0000992300000000, -0.0002030200000000 ] - [ 0.0003344700000000, 0.0002821900000000, -0.0001784900000000 ] - [ -0.0001785700000000, 0.0001015700000000, -0.0003155000000000 ] - [ -0.0004072100000000, -0.0010127800000000, 0.0003719700000000 ] - [ 0.0014080300000000, 0.0000743400000000, -0.0019688400000000 ] - [ 0.0000841100000000, -0.0001421300000000, -0.0001043800000000 ] - [ -0.0000944700000000, -0.0011722800000000, 0.0007093100000000 ] - [ -0.0001609600000000, -0.0000101500000000, -0.0003384200000000 ] - [ 0.0005780200000000, -0.0000926600000000, 0.0001754800000000 ] - [ 0.0002756700000000, 0.0000682500000000, 0.0012279200000000 ] - [ 0.0002703000000000, -0.0002863100000000, -0.0001431100000000 ] - [ 0.0001963800000000, -0.0001173900000000, -0.0003391100000000 ] - [ -0.0005557100000000, -0.0000877600000000, 0.0002748400000000 ] - [ 0.0002703400000000, 0.0016990800000000, -0.0001078400000000 ] - [ -0.0000901500000000, 0.0001249300000000, -0.0003167500000000 ] - [ -0.0000296300000000, -0.0012018400000000, 0.0014242900000000 ] - [ 0.0001882300000000, 0.0000046300000000, -0.0004064500000000 ] - [ -0.0002102000000000, 0.0009571000000000, 0.0007939800000000 ] - [ -0.0001343800000000, -0.0000972600000000, -0.0002597100000000 ] - [ 0.0001988000000000, -0.0002461600000000, -0.0002415500000000 ] - [ -0.0002667500000000, -0.0003388700000000, 0.0005099300000000 ] - [ 0.0000024300000000, -0.0000460600000000, 0.0000272300000000 ] - [ 0.0005795700000000, 0.0008287200000000, -0.0020017700000000 ] - [ 0.0033703200000000, 0.0015485400000000, -0.0027397800000000 ] - [ 0.0001653600000000, 0.0000117300000000, -0.0001053100000000 ] - [ -0.0004180600000000, 0.0004963600000000, 0.0011759200000000 ] - [ 0.0011167000000000, 0.0002053600000000, 0.0001219500000000 ] - [ -0.0000303400000000, -0.0000543000000000, -0.0001414200000000 ] - [ 0.0000474100000000, 0.0000454600000000, -0.0002212600000000 ] - [ 0.0002050600000000, -0.0017767100000000, 0.0031838300000000 ] - [ -0.0110611100000000, -0.0085451400000000, -0.0079546800000000 ] - [ -0.0004447500000000, -0.0005257500000000, 0.0009258600000000 ] - [ -0.0000113100000000, 0.0000442400000000, 0.0006546400000000 ] - [ 0.0005396600000000, -0.0009672600000000, -0.0007170000000000 ] - [ 0.0004190400000000, 0.0005447100000000, -0.0005183300000000 ] - [ -0.0001868300000000, 0.0000576600000000, -0.0001067000000000 ] - [ 0.0000439200000000, 0.0001570300000000, -0.0003347200000000 ] - [ -0.0008736700000000, 0.0000824800000000, -0.0006139200000000 ] - [ -0.0000378400000000, -0.0001378900000000, -0.0002612700000000 ] - [ 0.0002954000000000, -0.0006347300000000, -0.0005222300000000 ] - [ -0.0000272000000000, 0.0005976300000000, 0.0007856100000000 ] - [ 0.0022800000000000, -0.0006472600000000, 0.0006002900000000 ] - [ 0.0004404800000000, -0.0011683100000000, 0.0005280900000000 ] - [ 0.0000780500000000, -0.0000127000000000, 0.0001775400000000 ] - [ 0.0000130500000000, 0.0000128800000000, -0.0001908900000000 ] - [ -0.0002186200000000, 0.0000668700000000, -0.0001526700000000 ] - [ 0.0006597700000000, 0.0007935500000000, -0.0003218400000000 ] - [ -0.0012860000000000, 0.0001883400000000, 0.0006023700000000 ] - [ -0.0166098300000000, 0.0105789900000000, 0.0005601600000000 ] - [ -0.0002717800000000, 0.0000185500000000, -0.0000947400000000 ] - [ 0.0006376500000000, -0.0007638000000000, -0.0003022300000000 ] - [ 0.0000702500000000, -0.0000647800000000, -0.0000529200000000 ] - [ 0.0011482400000000, -0.0049610200000000, -0.0016758300000000 ] - [ -0.0000227900000000, 0.0000205700000000, 0.0000331100000000 ] - [ 0.0002412400000000, 0.0000031400000000, 0.0006225800000000 ] - [ 0.0002482300000000, -0.0000441100000000, 0.0000554900000000 ] - [ -0.0000360500000000, -0.0000478100000000, -0.0000702200000000 ] - [ -0.0003086400000000, 0.0002176300000000, -0.0007236300000000 ] - [ 0.0000139000000000, -0.0002853700000000, -0.0005544700000000 ] - [ 0.0000326100000000, 0.0000344100000000, -0.0000568400000000 ] - [ 0.0000202800000000, 0.0000219800000000, -0.0004001500000000 ] - [ -0.0001056700000000, 0.0000211300000000, -0.0001691400000000 ] - [ 0.0000307400000000, -0.0000694300000000, 0.0000280600000000 ] - [ -0.0000487600000000, 0.0000158400000000, -0.0004156700000000 ] - [ -0.0000221000000000, 0.0000529900000000, 0.0001411600000000 ] - [ 0.0000376800000000, -0.0000204600000000, -0.0004080400000000 ] - [ 0.0030999300000000, 0.0002914500000000, 0.0012197400000000 ] - [ 0.0000384300000000, -0.0000032100000000, 0.0001126600000000 ] - [ -0.0002210400000000, 0.0002837800000000, 0.0002254400000000 ]- atom: 98 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005161100000000, -0.0010567600000000, 0.0004803300000000 ] - [ 0.0005114900000000, -0.0000509000000000, 0.0006127700000000 ] - [ -0.0002379200000000, 0.0016430600000000, 0.0004491700000000 ] - [ -0.0002806700000000, 0.0006940100000000, -0.0008271100000000 ] - [ -0.0002651500000000, 0.0004719200000000, -0.0004849600000000 ] - [ -0.0001543900000000, -0.0001713300000000, -0.0000606500000000 ] - [ 0.0002504700000000, -0.0000395500000000, -0.0000886900000000 ] - [ -0.0001884100000000, -0.0003551200000000, -0.0007577100000000 ] - [ 0.0000041600000000, 0.0001129400000000, 0.0000782200000000 ] - [ -0.0000654500000000, 0.0001954600000000, -0.0000512800000000 ] - [ 0.0002595000000000, -0.0006160700000000, -0.0010770800000000 ] - [ -0.0000160100000000, -0.0002545700000000, 0.0001186700000000 ] - [ -0.0001318900000000, -0.0001896800000000, -0.0003623300000000 ] - [ -0.0008597700000000, 0.0005282500000000, 0.0001749200000000 ] - [ -0.0000525800000000, -0.0000917900000000, -0.0002192000000000 ] - [ 0.0002526000000000, 0.0002597300000000, 0.0005712300000000 ] - [ -0.0012670600000000, 0.0007708600000000, 0.0006434500000000 ] - [ 0.0004026100000000, 0.0001869400000000, 0.0000512400000000 ] - [ 0.0000976600000000, 0.0000950300000000, -0.0000722700000000 ] - [ -0.0001138200000000, 0.0002126000000000, -0.0003712400000000 ] - [ 0.0002244500000000, 0.0000374500000000, -0.0000661900000000 ] - [ 0.0001031000000000, 0.0001136500000000, 0.0000092600000000 ] - [ 0.0001553000000000, 0.0000912500000000, 0.0003065900000000 ] - [ 0.0015711700000000, 0.0000913600000000, 0.0000312600000000 ] - [ 0.0001512800000000, 0.0000225600000000, -0.0000030900000000 ] - [ -0.0001181700000000, -0.0002235100000000, -0.0003397200000000 ] - [ -0.0000094500000000, 0.0000830400000000, -0.0001945400000000 ] - [ 0.0008239300000000, 0.0001974700000000, 0.0005536300000000 ] - [ -0.0031673100000000, -0.0021369000000000, 0.0008706100000000 ] - [ -0.0023753400000000, -0.0003031400000000, -0.0008962800000000 ] - [ 0.0003494700000000, -0.0000024500000000, -0.0000049200000000 ] - [ 0.0006410600000000, 0.0000161500000000, -0.0003610900000000 ] - [ 0.0008415700000000, -0.0007889300000000, -0.0003436300000000 ] - [ 0.0000697100000000, 0.0004448000000000, 0.0002492300000000 ] - [ 0.0001197200000000, 0.0000403700000000, -0.0000607800000000 ] - [ -0.0000003900000000, -0.0004379100000000, 0.0001033900000000 ] - [ -0.0001811500000000, 0.0003133100000000, -0.0000297500000000 ] - [ -0.0000101200000000, 0.0002435100000000, 0.0001245300000000 ] - [ -0.0002018100000000, -0.0003515000000000, -0.0000363500000000 ] - [ -0.0004030100000000, -0.0007582400000000, -0.0003123900000000 ] - [ 0.0002620000000000, 0.0000288500000000, -0.0003471800000000 ] - [ 0.0003572800000000, -0.0004583200000000, 0.0000396100000000 ] - [ -0.0000274100000000, -0.0000657700000000, -0.0002030100000000 ] - [ -0.0001693000000000, 0.0002048600000000, -0.0000815000000000 ] - [ 0.0001160400000000, -0.0001047700000000, -0.0000743800000000 ] - [ -0.0002570200000000, -0.0007172900000000, 0.0004403600000000 ] - [ -0.0001689800000000, 0.0001973000000000, -0.0003371600000000 ] - [ -0.0002492500000000, -0.0001217200000000, -0.0001385500000000 ] - [ -0.0003096000000000, 0.0002648400000000, 0.0000754300000000 ] - [ 0.0000538800000000, 0.0000248500000000, -0.0002144800000000 ] - [ 0.0007501900000000, -0.0001766300000000, 0.0006035200000000 ] - [ 0.0026585500000000, 0.0025020200000000, -0.0002921900000000 ] - [ -0.0004569400000000, 0.0001525500000000, 0.0000612800000000 ] - [ -0.0000726300000000, -0.0000770200000000, -0.0002023700000000 ] - [ -0.0062915700000000, 0.0008323700000000, -0.0006042600000000 ] - [ 0.0002470300000000, -0.0001263500000000, 0.0001856200000000 ] - [ -0.0000531600000000, -0.0001896800000000, -0.0000550100000000 ] - [ 0.0025428000000000, -0.0027600900000000, -0.0003898100000000 ] - [ -0.0001231100000000, -0.0002216200000000, 0.0003937900000000 ] - [ -0.0000353200000000, 0.0000905700000000, 0.0002275000000000 ] - [ 0.0002567800000000, -0.0000584200000000, -0.0003408300000000 ] - [ -0.0001240600000000, -0.0000653500000000, -0.0000481300000000 ] - [ 0.0008565300000000, 0.0000463900000000, 0.0034046600000000 ] - [ 0.0027458300000000, 0.0000919400000000, 0.0007684900000000 ] - [ -0.0007314100000000, -0.0004455900000000, 0.0004000800000000 ] - [ 0.0000115300000000, -0.0000659500000000, 0.0001032900000000 ] - [ -0.0000844900000000, 0.0002374500000000, -0.0007535200000000 ] - [ 0.0000989000000000, 0.0002273300000000, -0.0000036000000000 ] - [ 0.0001600900000000, -0.0004077800000000, -0.0007610100000000 ] - [ 0.0038249300000000, 0.0043800200000000, -0.0019300400000000 ] - [ 0.0000673900000000, 0.0000615400000000, -0.0006257000000000 ] - [ 0.0002591000000000, 0.0001683000000000, -0.0003146300000000 ] - [ -0.0008127400000000, 0.0002441200000000, -0.0001910900000000 ] - [ -0.0001888500000000, 0.0000025300000000, -0.0003440900000000 ] - [ -0.0000305300000000, 0.0000285000000000, 0.0001174500000000 ] - [ 0.0005953100000000, -0.0003318300000000, -0.0004740400000000 ] - [ -0.1450132800000000, 0.1045329600000000, 0.0436273300000000 ] - [ 0.0003962000000000, -0.0010500100000000, 0.0004016900000000 ] - [ 0.0000974600000000, -0.0002236400000000, -0.0002390100000000 ] - [ 0.0015767500000000, -0.0000016300000000, -0.0022601700000000 ] - [ -0.0013512300000000, 0.0015580800000000, 0.0021588900000000 ] - [ -0.0002100900000000, -0.0021992700000000, 0.0012686200000000 ] - [ -0.0000309300000000, 0.0001128600000000, 0.0009163000000000 ] - [ -0.0004952900000000, -0.0000754000000000, 0.0046354900000000 ] - [ 0.0000249200000000, -0.0007669100000000, 0.0002552900000000 ] - [ -0.0001517700000000, 0.0009285100000000, 0.0001428300000000 ] - [ -0.0017812000000000, -0.0011202000000000, -0.0011258200000000 ] - [ -0.0000129900000000, -0.0000735200000000, -0.0000091500000000 ] - [ 0.0007537000000000, 0.0006060100000000, 0.0003943800000000 ] - [ -0.0319769500000000, 0.0403286600000000, 0.0076323900000000 ] - [ -0.0000997700000000, -0.0012775100000000, -0.0008345000000000 ] - [ 0.0001053900000000, 0.0001875700000000, -0.0003172100000000 ] - [ 0.0000997400000000, 0.0001665400000000, -0.0000468900000000 ] - [ -0.0001552100000000, 0.0000022300000000, 0.0000337500000000 ] - [ 0.0000722500000000, 0.0000292100000000, -0.0001599400000000 ] - [ 0.0000011400000000, -0.0000801100000000, -0.0009449800000000 ] - [ 0.0009500900000000, -0.0002968900000000, 0.0001130700000000 ] - [ 0.1641569000000000, -0.1464351600000000, -0.0590998900000000 ] - [ -0.0014574800000000, -0.0007319100000000, 0.0002961800000000 ] - [ -0.0009114700000000, 0.0001106900000000, -0.0004194200000000 ] - [ 0.0001260300000000, -0.0001690800000000, -0.0003222100000000 ] - [ -0.0001547000000000, 0.0000859500000000, -0.0002220300000000 ] - [ -0.0001890300000000, 0.0000394400000000, -0.0003135500000000 ] - [ 0.0004705700000000, 0.0005349100000000, -0.0003370500000000 ] - [ 0.0000659500000000, -0.0000490400000000, 0.0000022600000000 ] - [ 0.0003128400000000, 0.0002311100000000, -0.0001637400000000 ] - [ 0.0000921300000000, 0.0000821400000000, 0.0000901500000000 ] - [ -0.0000674700000000, 0.0000918200000000, 0.0001219400000000 ] - [ -0.0000435600000000, -0.0001061400000000, -0.0002523500000000 ] - [ 0.0000144400000000, 0.0001296600000000, -0.0001825400000000 ] - [ -0.0003171400000000, 0.0001560300000000, 0.0003806300000000 ] - [ 0.0001625800000000, -0.0000609500000000, -0.0001902500000000 ] - [ -0.0006509100000000, 0.0001335100000000, -0.0004027900000000 ] - [ 0.0000301600000000, -0.0000206900000000, -0.0000715700000000 ] - [ -0.0008042300000000, 0.0009516900000000, 0.0002751800000000 ] - [ -0.0000323500000000, 0.0000746400000000, 0.0009801400000000 ] - [ -0.0008356100000000, -0.0000190000000000, 0.0004306100000000 ] - [ -0.0000183000000000, -0.0000282200000000, -0.0000133800000000 ] - [ 0.0003480500000000, -0.0000234300000000, -0.0001262600000000 ] - [ 0.0000681900000000, -0.0001289600000000, -0.0003039500000000 ] - [ -0.0005191300000000, 0.0001054100000000, -0.0000443600000000 ] - [ -0.0000839900000000, 0.0001728600000000, -0.0000691500000000 ] - [ -0.0000824800000000, 0.0000635100000000, -0.0001855900000000 ] - [ 0.0000904500000000, 0.0004688800000000, 0.0000569800000000 ] - [ -0.0012762300000000, -0.0000693600000000, 0.0014686000000000 ] - [ 0.0000760800000000, -0.0001195600000000, 0.0000106300000000 ] - [ 0.0000199800000000, 0.0010315400000000, -0.0003921600000000 ] - [ -0.0001688000000000, -0.0000245300000000, -0.0003084300000000 ] - [ -0.0008880500000000, 0.0006222400000000, 0.0002502000000000 ] - [ -0.0006456700000000, 0.0002089500000000, -0.0006732100000000 ] - [ -0.0000132500000000, -0.0001898300000000, -0.0001063400000000 ] - [ 0.0000770500000000, -0.0000259100000000, -0.0001617500000000 ] - [ 0.0001957900000000, -0.0001835300000000, 0.0002673600000000 ] - [ -0.0008239400000000, -0.0007243300000000, 0.0009105000000000 ] - [ -0.0000404300000000, 0.0001153500000000, -0.0000535800000000 ] - [ 0.0000366700000000, 0.0012038600000000, -0.0003559000000000 ] - [ 0.0000857700000000, 0.0000026000000000, 0.0000365900000000 ] - [ 0.0001263900000000, -0.0008055300000000, -0.0004780500000000 ] - [ -0.0001275700000000, -0.0000593200000000, -0.0002380100000000 ] - [ -0.0000985400000000, 0.0000560300000000, -0.0000947700000000 ] - [ 0.0004530600000000, 0.0003393400000000, -0.0001938300000000 ] - [ -0.0000005300000000, 0.0000491300000000, -0.0000599500000000 ] - [ -0.0005766800000000, -0.0008181200000000, 0.0011172700000000 ] - [ -0.0038949700000000, -0.0024940800000000, 0.0035138700000000 ] - [ 0.0000807700000000, -0.0000118600000000, 0.0001095000000000 ] - [ 0.0008357900000000, -0.0006716100000000, -0.0006220100000000 ] - [ -0.0011877300000000, -0.0008305200000000, 0.0002560300000000 ] - [ -0.0000913700000000, -0.0001562000000000, 0.0001455100000000 ] - [ 0.0000541800000000, 0.0001312200000000, -0.0001145800000000 ] - [ -0.0002668300000000, 0.0016614900000000, -0.0036747600000000 ] - [ 0.0114301100000000, 0.0084808700000000, 0.0077490200000000 ] - [ 0.0006664500000000, 0.0009138800000000, -0.0012573700000000 ] - [ 0.0000097100000000, -0.0000481900000000, 0.0009715600000000 ] - [ 0.0003283900000000, -0.0004516100000000, -0.0002545400000000 ] - [ 0.0003675500000000, 0.0009113700000000, -0.0004515100000000 ] - [ 0.0004518800000000, -0.0005038100000000, -0.0001373300000000 ] - [ 0.0000959700000000, 0.0001517100000000, -0.0003147200000000 ] - [ -0.0007850600000000, -0.0000406200000000, -0.0003558200000000 ] - [ 0.0000332600000000, -0.0001671900000000, -0.0002366400000000 ] - [ 0.0004898300000000, -0.0008303400000000, -0.0004467700000000 ] - [ -0.0000598200000000, -0.0007387900000000, -0.0004650700000000 ] - [ -0.0016806800000000, 0.0004016000000000, -0.0002213100000000 ] - [ -0.0005198800000000, 0.0013005500000000, -0.0002077200000000 ] - [ -0.0001229100000000, -0.0000633100000000, 0.0002718600000000 ] - [ -0.0000160800000000, -0.0000178500000000, 0.0001108200000000 ] - [ -0.0003238800000000, -0.0000820600000000, -0.0000967100000000 ] - [ -0.0007146500000000, -0.0003367200000000, 0.0008736800000000 ] - [ 0.0014431300000000, -0.0001905200000000, -0.0002796600000000 ] - [ 0.0161834200000000, -0.0111977000000000, -0.0002518800000000 ] - [ 0.0002059300000000, 0.0000916900000000, -0.0004266800000000 ] - [ -0.0006919600000000, 0.0003231300000000, 0.0008514800000000 ] - [ -0.0000271800000000, -0.0000215500000000, 0.0000046100000000 ] - [ -0.0012484200000000, 0.0047245500000000, 0.0018543900000000 ] - [ 0.0000193500000000, -0.0000379900000000, 0.0001239900000000 ] - [ -0.0006979900000000, 0.0000024000000000, -0.0002884000000000 ] - [ -0.0002201200000000, -0.0000045100000000, -0.0000182500000000 ] - [ 0.0000331300000000, 0.0000431700000000, 0.0002249800000000 ] - [ 0.0002520300000000, -0.0002161200000000, 0.0007496100000000 ] - [ 0.0002176900000000, 0.0006885900000000, 0.0008870100000000 ] - [ 0.0000099600000000, 0.0000395500000000, 0.0000026300000000 ] - [ -0.0000031000000000, 0.0000080000000000, -0.0003038600000000 ] - [ 0.0000100400000000, -0.0000269400000000, 0.0001190600000000 ] - [ -0.0000055700000000, 0.0001144900000000, 0.0000070300000000 ] - [ 0.0000342400000000, -0.0000083400000000, -0.0002928300000000 ] - [ 0.0002547800000000, -0.0004466400000000, 0.0001982100000000 ] - [ -0.0000240100000000, 0.0000115400000000, -0.0003004300000000 ] - [ -0.0028716100000000, -0.0002931500000000, -0.0010302800000000 ] - [ -0.0000510800000000, -0.0000082400000000, 0.0000437100000000 ] - [ 0.0000935000000000, -0.0000890700000000, -0.0000227000000000 ]- atom: 98 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0014229600000000, -0.0021593500000000, 0.0008010800000000 ] - [ 0.0005971600000000, 0.0003179400000000, 0.0004943700000000 ] - [ -0.0037413800000000, 0.0002601600000000, 0.0002038800000000 ] - [ -0.0001962200000000, 0.0022986800000000, -0.0006402000000000 ] - [ -0.0003103400000000, 0.0004367900000000, -0.0002744700000000 ] - [ -0.0001481600000000, -0.0001537800000000, -0.0000991200000000 ] - [ 0.0002806500000000, -0.0000380900000000, -0.0001578500000000 ] - [ -0.0000165900000000, -0.0001326700000000, -0.0008785800000000 ] - [ -0.0002785700000000, -0.0006734800000000, 0.0004584900000000 ] - [ -0.0000638400000000, 0.0001858500000000, -0.0001129400000000 ] - [ 0.0008183700000000, -0.0012875900000000, -0.0023487700000000 ] - [ 0.0000473000000000, -0.0001701500000000, 0.0001817200000000 ] - [ -0.0001242900000000, -0.0001330300000000, -0.0004365500000000 ] - [ -0.0013772300000000, -0.0001473900000000, 0.0035576800000000 ] - [ 0.0000498100000000, -0.0001209700000000, -0.0008142200000000 ] - [ 0.0000020800000000, 0.0000550900000000, 0.0004569600000000 ] - [ -0.0019557200000000, 0.0014906600000000, -0.0003656800000000 ] - [ -0.0000063600000000, 0.0000973300000000, 0.0002912000000000 ] - [ 0.0001085300000000, 0.0000521900000000, -0.0001485600000000 ] - [ -0.0001060400000000, 0.0002260700000000, -0.0004644700000000 ] - [ 0.0001883800000000, -0.0000100000000000, -0.0001283900000000 ] - [ -0.0000059700000000, 0.0000198700000000, -0.0001205500000000 ] - [ -0.0007021200000000, -0.0011513100000000, 0.0004033600000000 ] - [ 0.0012618500000000, 0.0001282700000000, 0.0002463200000000 ] - [ 0.0002503000000000, 0.0001213000000000, -0.0002081100000000 ] - [ -0.0001088400000000, -0.0002619000000000, -0.0004013300000000 ] - [ -0.0000041900000000, 0.0001052300000000, -0.0002567400000000 ] - [ 0.0003989600000000, 0.0004438800000000, 0.0006059200000000 ] - [ -0.0014139700000000, 0.0004275800000000, 0.0006465400000000 ] - [ -0.0007505400000000, 0.0015919500000000, -0.0022027300000000 ] - [ 0.0003496200000000, 0.0000486600000000, -0.0000721100000000 ] - [ 0.0005284700000000, 0.0000329100000000, -0.0003272600000000 ] - [ 0.0016595300000000, -0.0008037700000000, -0.0007152600000000 ] - [ -0.0005335900000000, -0.0002339800000000, 0.0005705300000000 ] - [ 0.0001151700000000, -0.0000245500000000, 0.0001720700000000 ] - [ 0.0002145300000000, -0.0008358400000000, 0.0000207200000000 ] - [ -0.0002042400000000, 0.0002667300000000, -0.0000870400000000 ] - [ -0.0001389600000000, 0.0004376100000000, -0.0001923500000000 ] - [ -0.0001772400000000, -0.0003967100000000, -0.0001293200000000 ] - [ -0.0001224900000000, -0.0018796700000000, -0.0009400800000000 ] - [ 0.0002315700000000, 0.0000192300000000, -0.0004058300000000 ] - [ 0.0006245400000000, -0.0007626500000000, 0.0000232300000000 ] - [ -0.0000434500000000, -0.0000794500000000, -0.0002734900000000 ] - [ -0.0001415000000000, 0.0002568300000000, -0.0001687000000000 ] - [ 0.0000893200000000, -0.0000455900000000, -0.0001225800000000 ] - [ 0.0006376300000000, -0.0044538400000000, -0.0001104000000000 ] - [ -0.0001801200000000, 0.0001572200000000, -0.0003907000000000 ] - [ -0.0002683700000000, -0.0001354000000000, -0.0004569600000000 ] - [ -0.0003697000000000, 0.0005346800000000, 0.0000917500000000 ] - [ 0.0000488500000000, 0.0000601200000000, -0.0003031600000000 ] - [ 0.0007510600000000, -0.0002190900000000, 0.0006395100000000 ] - [ 0.0011358700000000, 0.0035604900000000, 0.0001785200000000 ] - [ -0.0006287900000000, -0.0003890200000000, 0.0003861700000000 ] - [ 0.0000920800000000, -0.0002772200000000, -0.0002871900000000 ] - [ -0.0023137600000000, 0.0022931300000000, 0.0000028100000000 ] - [ 0.0003625900000000, -0.0001277600000000, 0.0002914900000000 ] - [ -0.0000839400000000, -0.0001604100000000, -0.0001241000000000 ] - [ 0.0033570100000000, -0.0027364800000000, -0.0001372800000000 ] - [ -0.0001273000000000, -0.0003595000000000, 0.0005282200000000 ] - [ -0.0000409700000000, -0.0000389400000000, 0.0001000100000000 ] - [ 0.0002864500000000, -0.0000835100000000, -0.0004012500000000 ] - [ -0.0003109800000000, -0.0003429000000000, -0.0002525800000000 ] - [ 0.0007348600000000, 0.0011924500000000, 0.0033708500000000 ] - [ 0.0035635900000000, -0.0007517900000000, 0.0010530400000000 ] - [ -0.0015140800000000, -0.0017996100000000, -0.0019601900000000 ] - [ 0.0000623300000000, -0.0001058700000000, 0.0000929100000000 ] - [ -0.0001645000000000, 0.0003700600000000, -0.0006646500000000 ] - [ 0.0001425600000000, 0.0002644700000000, 0.0000202800000000 ] - [ 0.0004480600000000, -0.0007752200000000, -0.0010553000000000 ] - [ 0.0026307100000000, 0.0066800300000000, -0.0009023900000000 ] - [ 0.0000679100000000, 0.0001502100000000, -0.0007607900000000 ] - [ 0.0001306400000000, -0.0003113000000000, -0.0005066000000000 ] - [ -0.0007470800000000, 0.0008628000000000, -0.0001177600000000 ] - [ -0.0001804100000000, 0.0000469100000000, -0.0005700700000000 ] - [ -0.0000688100000000, 0.0000286600000000, -0.0004801200000000 ] - [ 0.0005731300000000, -0.0004612400000000, -0.0005688500000000 ] - [ -0.1662003400000000, 0.2901784900000000, 0.0906361000000000 ] - [ -0.0011026500000000, -0.0034644600000000, 0.0010116200000000 ] - [ 0.0000478000000000, -0.0002932200000000, -0.0005659500000000 ] - [ 0.0024042300000000, 0.0003522200000000, -0.0020450500000000 ] - [ -0.0048513500000000, 0.0004399900000000, -0.0021789400000000 ] - [ 0.0018004300000000, -0.0031623500000000, 0.0029286300000000 ] - [ -0.0001700600000000, 0.0002743200000000, 0.0004487300000000 ] - [ -0.0002377200000000, 0.0003725700000000, 0.0093644200000000 ] - [ 0.0012322100000000, -0.0002784000000000, -0.0008367600000000 ] - [ -0.0009015200000000, 0.0015543300000000, 0.0003946400000000 ] - [ -0.0007247900000000, -0.0015776400000000, -0.0006765200000000 ] - [ 0.0000617200000000, -0.0002494900000000, 0.0001299300000000 ] - [ 0.0011063500000000, 0.0011776900000000, 0.0010069100000000 ] - [ -0.0308874300000000, 0.0200759400000000, 0.0073775800000000 ] - [ 0.0024220100000000, 0.0001860000000000, 0.0014915300000000 ] - [ 0.0000941500000000, 0.0002136400000000, -0.0002942600000000 ] - [ 0.0000798300000000, 0.0001678700000000, -0.0000228500000000 ] - [ -0.0001356200000000, -0.0000213300000000, 0.0001168600000000 ] - [ 0.0000586900000000, -0.0000236300000000, -0.0000808200000000 ] - [ 0.0000645300000000, -0.0001980300000000, -0.0005773700000000 ] - [ 0.0007472200000000, -0.0012594800000000, -0.0000465100000000 ] - [ 0.2123172900000000, -0.3640989500000000, -0.1221068000000000 ] - [ -0.0010113700000000, -0.0011749100000000, 0.0002257900000000 ] - [ -0.0010584300000000, 0.0002279100000000, -0.0003784200000000 ] - [ 0.0001038300000000, -0.0000846500000000, -0.0001605200000000 ] - [ 0.0001202500000000, 0.0006627400000000, -0.0006169600000000 ] - [ -0.0002312200000000, 0.0000565100000000, -0.0002943500000000 ] - [ 0.0004835400000000, 0.0003967800000000, -0.0003800000000000 ] - [ 0.0000914600000000, -0.0001261700000000, 0.0001572000000000 ] - [ 0.0001348600000000, -0.0001384500000000, -0.0000918000000000 ] - [ 0.0011079700000000, 0.0008282500000000, 0.0000986400000000 ] - [ -0.0000581900000000, 0.0000750900000000, 0.0001414400000000 ] - [ -0.0000609900000000, -0.0001213200000000, -0.0003073200000000 ] - [ 0.0000194300000000, 0.0001313900000000, -0.0000896500000000 ] - [ -0.0002587500000000, 0.0002183400000000, 0.0004331800000000 ] - [ 0.0000140700000000, 0.0008138400000000, 0.0003996300000000 ] - [ -0.0007771800000000, 0.0002958200000000, -0.0005883000000000 ] - [ 0.0000747500000000, -0.0000124100000000, 0.0003882400000000 ] - [ -0.0007688500000000, 0.0018153600000000, 0.0002822300000000 ] - [ -0.0000861400000000, 0.0001445000000000, 0.0011692000000000 ] - [ -0.0016015600000000, -0.0002470200000000, 0.0005657800000000 ] - [ 0.0000458300000000, 0.0000025400000000, 0.0001194200000000 ] - [ 0.0002319500000000, -0.0001838700000000, -0.0001706900000000 ] - [ 0.0000456500000000, -0.0001143900000000, -0.0002721600000000 ] - [ -0.0005702100000000, 0.0001207200000000, 0.0000207000000000 ] - [ -0.0000042800000000, 0.0001795300000000, -0.0000254600000000 ] - [ -0.0000069400000000, 0.0000883700000000, -0.0000833000000000 ] - [ 0.0006296300000000, 0.0025111300000000, -0.0003862100000000 ] - [ -0.0014344900000000, -0.0002483200000000, 0.0013339300000000 ] - [ 0.0000602000000000, -0.0000419900000000, 0.0001162800000000 ] - [ -0.0004470600000000, 0.0009047100000000, -0.0007617700000000 ] - [ -0.0000480600000000, -0.0000230700000000, -0.0001378700000000 ] - [ -0.0010586100000000, 0.0015691800000000, 0.0002629100000000 ] - [ -0.0015519800000000, 0.0000690400000000, -0.0017958100000000 ] - [ -0.0000651100000000, -0.0000007100000000, -0.0000243300000000 ] - [ 0.0000668000000000, -0.0000156200000000, -0.0000926500000000 ] - [ 0.0010411000000000, 0.0001276300000000, 0.0008652500000000 ] - [ 0.0005058300000000, -0.0017772900000000, -0.0001801700000000 ] - [ -0.0000135600000000, 0.0001577100000000, 0.0001867200000000 ] - [ -0.0010401600000000, 0.0017986200000000, -0.0012997300000000 ] - [ 0.0000731700000000, -0.0000206200000000, 0.0001911100000000 ] - [ 0.0011331300000000, -0.0014620000000000, 0.0004646100000000 ] - [ -0.0001659400000000, -0.0000636200000000, -0.0002282600000000 ] - [ -0.0000681900000000, 0.0001966000000000, -0.0000687900000000 ] - [ -0.0005042600000000, 0.0008326100000000, -0.0007585200000000 ] - [ -0.0000408300000000, 0.0000744300000000, -0.0000842800000000 ] - [ -0.0004524100000000, -0.0012647600000000, 0.0005774700000000 ] - [ -0.0038649800000000, -0.0038079400000000, 0.0031502000000000 ] - [ 0.0001096300000000, -0.0000280900000000, 0.0001473000000000 ] - [ 0.0010320400000000, -0.0015748300000000, -0.0015569800000000 ] - [ -0.0010504100000000, -0.0006794400000000, 0.0000859400000000 ] - [ -0.0001275700000000, -0.0002297500000000, 0.0001996800000000 ] - [ 0.0000973700000000, 0.0004305200000000, -0.0000228500000000 ] - [ -0.0017068200000000, 0.0027453500000000, -0.0072492000000000 ] - [ -0.0018975500000000, 0.0038375900000000, 0.0163727300000000 ] - [ 0.0008510200000000, 0.0013860800000000, -0.0022550500000000 ] - [ 0.0000196200000000, -0.0000763200000000, 0.0009840200000000 ] - [ 0.0001430000000000, -0.0002158400000000, -0.0000058800000000 ] - [ 0.0002857800000000, 0.0010601300000000, -0.0003827400000000 ] - [ 0.0005369900000000, -0.0009446400000000, -0.0001623600000000 ] - [ 0.0000632400000000, 0.0000706200000000, -0.0001547500000000 ] - [ -0.0007075000000000, -0.0000450000000000, -0.0003996400000000 ] - [ 0.0000274900000000, -0.0002057700000000, -0.0002132000000000 ] - [ 0.0005788800000000, -0.0008374100000000, -0.0005528900000000 ] - [ 0.0012525400000000, 0.0008436900000000, 0.0006668100000000 ] - [ -0.0025176900000000, 0.0005459400000000, -0.0004234500000000 ] - [ -0.0013927000000000, 0.0023628700000000, -0.0005871800000000 ] - [ -0.0000781200000000, 0.0002259100000000, 0.0003856500000000 ] - [ -0.0000148200000000, -0.0000404700000000, 0.0002182100000000 ] - [ -0.0001842000000000, 0.0000643700000000, -0.0000377800000000 ] - [ -0.0008717600000000, -0.0006937500000000, 0.0008907900000000 ] - [ 0.0028576600000000, 0.0007037500000000, 0.0011662000000000 ] - [ -0.0014411500000000, 0.0348139900000000, 0.0067896500000000 ] - [ 0.0009285300000000, 0.0011804700000000, 0.0012636600000000 ] - [ -0.0008484500000000, 0.0003591700000000, 0.0008455300000000 ] - [ -0.0000245300000000, -0.0000098100000000, 0.0000436500000000 ] - [ -0.0051307100000000, 0.0086992200000000, 0.0037260600000000 ] - [ 0.0000522600000000, 0.0000157400000000, 0.0001102400000000 ] - [ -0.0005649100000000, -0.0002320100000000, -0.0002752000000000 ] - [ -0.0003141400000000, 0.0000400000000000, -0.0000305400000000 ] - [ -0.0000207600000000, 0.0000485600000000, 0.0003958000000000 ] - [ 0.0003420800000000, -0.0005557400000000, 0.0015370300000000 ] - [ -0.0002772600000000, 0.0008195000000000, 0.0016246000000000 ] - [ 0.0000174400000000, 0.0000940900000000, 0.0000392600000000 ] - [ -0.0000007900000000, 0.0000420500000000, -0.0002391800000000 ] - [ -0.0000052200000000, -0.0000931700000000, 0.0002785400000000 ] - [ 0.0000969200000000, 0.0003221800000000, -0.0000193100000000 ] - [ 0.0000241800000000, -0.0000490600000000, -0.0002187700000000 ] - [ 0.0005016500000000, -0.0000434700000000, -0.0002685300000000 ] - [ -0.0000148800000000, 0.0000144500000000, -0.0002401700000000 ] - [ -0.0028378600000000, -0.0005524900000000, -0.0012268100000000 ] - [ -0.0000368500000000, -0.0000516300000000, 0.0001060100000000 ] - [ 0.0016959100000000, 0.0022050900000000, -0.0010485900000000 ]- atom: 98 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0013680800000000, 0.0025739000000000, -0.0003611500000000 ] - [ -0.0007074100000000, -0.0000954100000000, -0.0001597600000000 ] - [ 0.0036688900000000, -0.0001418600000000, 0.0000790000000000 ] - [ 0.0002118800000000, -0.0025694600000000, 0.0008875500000000 ] - [ 0.0000605200000000, 0.0000138100000000, -0.0001714100000000 ] - [ -0.0000733500000000, -0.0002295700000000, 0.0000900100000000 ] - [ 0.0001724600000000, 0.0000425200000000, 0.0001461400000000 ] - [ -0.0002418600000000, -0.0003202300000000, 0.0004327400000000 ] - [ 0.0001506600000000, 0.0009110900000000, -0.0003334300000000 ] - [ -0.0001702900000000, 0.0002047300000000, 0.0001013400000000 ] - [ -0.0008046500000000, 0.0015782800000000, 0.0025840200000000 ] - [ -0.0001877800000000, -0.0002660800000000, -0.0004309100000000 ] - [ -0.0000738300000000, -0.0002712200000000, -0.0001497600000000 ] - [ 0.0014023800000000, 0.0000108300000000, -0.0030371700000000 ] - [ 0.0003819500000000, 0.0000110700000000, 0.0005528000000000 ] - [ -0.0001176800000000, -0.0002550800000000, -0.0001185100000000 ] - [ 0.0022024500000000, -0.0014706200000000, 0.0007043900000000 ] - [ 0.0002488200000000, 0.0000604900000000, -0.0000546500000000 ] - [ -0.0001392100000000, 0.0002466000000000, 0.0002555600000000 ] - [ -0.0000882700000000, 0.0002018300000000, -0.0001225100000000 ] - [ 0.0002666800000000, 0.0000027400000000, 0.0001165900000000 ] - [ 0.0002796200000000, 0.0001027900000000, 0.0002278800000000 ] - [ 0.0007513400000000, 0.0007113100000000, 0.0000277700000000 ] - [ -0.0011379600000000, -0.0001199900000000, 0.0000347700000000 ] - [ 0.0000303200000000, -0.0001129900000000, 0.0007908900000000 ] - [ -0.0001424800000000, -0.0001115400000000, -0.0001850900000000 ] - [ -0.0001032300000000, 0.0000982400000000, -0.0000773900000000 ] - [ -0.0005479400000000, -0.0004923000000000, -0.0001009300000000 ] - [ 0.0016435000000000, -0.0005367900000000, -0.0001382400000000 ] - [ 0.0007939500000000, -0.0014806100000000, 0.0025793700000000 ] - [ 0.0003978500000000, -0.0000600800000000, 0.0001116300000000 ] - [ -0.0000142900000000, -0.0000251900000000, -0.0001179600000000 ] - [ -0.0015254000000000, 0.0008940000000000, 0.0012113600000000 ] - [ 0.0006603600000000, 0.0001264000000000, -0.0000700200000000 ] - [ 0.0003211000000000, 0.0001308400000000, -0.0004295800000000 ] - [ -0.0004621300000000, 0.0007114700000000, 0.0002199500000000 ] - [ -0.0001801900000000, 0.0003758700000000, 0.0001283900000000 ] - [ 0.0000079300000000, -0.0000064600000000, -0.0000677700000000 ] - [ -0.0002001700000000, -0.0002570300000000, 0.0001667300000000 ] - [ -0.0000079700000000, 0.0016485800000000, 0.0010643000000000 ] - [ 0.0002353900000000, 0.0000269200000000, -0.0001809000000000 ] - [ -0.0003898600000000, 0.0005793100000000, 0.0002137300000000 ] - [ -0.0000655900000000, -0.0001090900000000, -0.0000678300000000 ] - [ -0.0000811300000000, 0.0001371000000000, 0.0001552400000000 ] - [ -0.0001223900000000, -0.0002605500000000, 0.0002200300000000 ] - [ -0.0002899200000000, 0.0041849900000000, 0.0005372700000000 ] - [ -0.0001060500000000, 0.0002065800000000, -0.0001942800000000 ] - [ 0.0000194600000000, -0.0000457400000000, 0.0005544900000000 ] - [ 0.0001330100000000, -0.0003562300000000, 0.0000146000000000 ] - [ 0.0001815000000000, -0.0000513100000000, -0.0000308500000000 ] - [ -0.0009043100000000, 0.0002768900000000, -0.0001389100000000 ] - [ -0.0015279500000000, -0.0033656600000000, 0.0002531600000000 ] - [ 0.0003544600000000, 0.0004977500000000, -0.0001478200000000 ] - [ -0.0004002900000000, 0.0005959300000000, 0.0000287700000000 ] - [ 0.0027477900000000, -0.0025409000000000, 0.0003421500000000 ] - [ -0.0000896400000000, 0.0000117300000000, -0.0001856200000000 ] - [ -0.0001381700000000, -0.0002238000000000, 0.0001164300000000 ] - [ -0.0037469900000000, 0.0025510400000000, 0.0005638600000000 ] - [ -0.0000131600000000, 0.0001155400000000, 0.0000527400000000 ] - [ -0.0000928200000000, 0.0002856400000000, 0.0004831600000000 ] - [ 0.0001715400000000, 0.0000179500000000, -0.0001838300000000 ] - [ 0.0000008900000000, 0.0000031400000000, 0.0000009900000000 ] - [ -0.0004777100000000, -0.0011659600000000, -0.0032318700000000 ] - [ -0.0035050100000000, 0.0006563800000000, -0.0004611100000000 ] - [ 0.0014420700000000, 0.0019123500000000, 0.0021776900000000 ] - [ -0.0000564000000000, 0.0001024500000000, 0.0000701600000000 ] - [ 0.0001644200000000, -0.0003702800000000, -0.0003307400000000 ] - [ 0.0001385400000000, 0.0002226400000000, -0.0001219100000000 ] - [ -0.0004489500000000, 0.0007754000000000, 0.0000580600000000 ] - [ -0.0026055000000000, -0.0066563000000000, 0.0017960200000000 ] - [ -0.0000665600000000, -0.0001496200000000, 0.0000819900000000 ] - [ 0.0001068800000000, 0.0007194600000000, 0.0000390200000000 ] - [ 0.0002786200000000, -0.0008621100000000, -0.0003935800000000 ] - [ -0.0003862500000000, -0.0000462200000000, 0.0004681000000000 ] - [ 0.0000596000000000, -0.0000259800000000, 0.0006394600000000 ] - [ -0.0003401800000000, 0.0000572300000000, 0.0000940300000000 ] - [ 0.1557588400000000, -0.2719035800000000, -0.0815115700000000 ] - [ 0.0011598400000000, 0.0035530500000000, -0.0004146400000000 ] - [ 0.0002351300000000, -0.0001964300000000, 0.0004634400000000 ] - [ -0.0022694200000000, -0.0003520900000000, 0.0022616800000000 ] - [ 0.0048473100000000, -0.0004560000000000, 0.0015731200000000 ] - [ -0.0018076600000000, 0.0031578500000000, -0.0034993500000000 ] - [ 0.0001710000000000, -0.0002722600000000, 0.0002525100000000 ] - [ 0.0001737700000000, -0.0004977900000000, -0.0091288900000000 ] - [ -0.0012278700000000, 0.0002781700000000, 0.0005938000000000 ] - [ 0.0008974000000000, -0.0015541900000000, -0.0006300800000000 ] - [ 0.0007157700000000, 0.0015767800000000, 0.0009976700000000 ] - [ 0.0000546400000000, 0.0000512300000000, 0.0001229400000000 ] - [ -0.0006810100000000, -0.0010021400000000, -0.0004564500000000 ] - [ 0.0305884700000000, -0.0196491000000000, -0.0068167000000000 ] - [ -0.0024131800000000, -0.0001794100000000, -0.0004185300000000 ] - [ 0.0001026700000000, 0.0000608300000000, -0.0003542100000000 ] - [ 0.0000774200000000, 0.0001053000000000, -0.0000696800000000 ] - [ -0.0001697700000000, 0.0000291500000000, -0.0002079600000000 ] - [ 0.0002094900000000, 0.0001749000000000, -0.0004155900000000 ] - [ -0.0000662100000000, 0.0001952100000000, -0.0002395000000000 ] - [ -0.0006582100000000, 0.0012451100000000, 0.0005296800000000 ] - [ -0.2020953700000000, 0.3454203400000000, 0.1134569000000000 ] - [ 0.0021092000000000, 0.0011770100000000, 0.0005765200000000 ] - [ -0.0006038700000000, -0.0002798400000000, -0.0005892200000000 ] - [ 0.0000976500000000, -0.0001903500000000, -0.0004878400000000 ] - [ -0.0002133900000000, -0.0008209500000000, 0.0004206800000000 ] - [ -0.0001083000000000, -0.0000196800000000, -0.0003547400000000 ] - [ 0.0003860000000000, 0.0010121100000000, -0.0005893300000000 ] - [ -0.0003214500000000, 0.0001278200000000, 0.0000956100000000 ] - [ 0.0001314400000000, 0.0005752800000000, -0.0001454200000000 ] - [ -0.0005444600000000, -0.0005850000000000, 0.0002777100000000 ] - [ -0.0000660100000000, 0.0001382900000000, -0.0001351700000000 ] - [ -0.0000723200000000, -0.0001085200000000, -0.0000633800000000 ] - [ -0.0000224100000000, 0.0001767800000000, -0.0004066500000000 ] - [ 0.0002129000000000, -0.0001473000000000, 0.0000156300000000 ] - [ 0.0002134700000000, -0.0011979100000000, -0.0007333600000000 ] - [ 0.0006818900000000, -0.0001462800000000, 0.0003926900000000 ] - [ -0.0000720400000000, 0.0000161300000000, -0.0004180900000000 ] - [ 0.0006914500000000, -0.0012034000000000, 0.0000954200000000 ] - [ 0.0000831600000000, -0.0001480300000000, 0.0004618300000000 ] - [ 0.0011533900000000, 0.0002502100000000, -0.0008999800000000 ] - [ 0.0000684300000000, 0.0001958200000000, 0.0001322800000000 ] - [ -0.0004355000000000, 0.0001749400000000, -0.0001561000000000 ] - [ 0.0000895400000000, -0.0001890100000000, -0.0003734800000000 ] - [ 0.0000475200000000, -0.0001130700000000, -0.0002676500000000 ] - [ 0.0002541200000000, 0.0002765400000000, -0.0002219900000000 ] - [ -0.0002529900000000, 0.0000767600000000, -0.0004154400000000 ] - [ -0.0009422600000000, -0.0030489500000000, 0.0008123600000000 ] - [ 0.0015573700000000, 0.0002528000000000, -0.0018330400000000 ] - [ 0.0000996000000000, -0.0002189500000000, -0.0002077900000000 ] - [ 0.0003668600000000, -0.0010483500000000, 0.0010728200000000 ] - [ -0.0002800800000000, -0.0000113700000000, -0.0005069600000000 ] - [ 0.0007405200000000, -0.0010236400000000, 0.0001644100000000 ] - [ 0.0011819700000000, 0.0002102200000000, 0.0023460000000000 ] - [ 0.0003213600000000, -0.0004753500000000, -0.0002250800000000 ] - [ 0.0002057800000000, -0.0001269000000000, -0.0004062100000000 ] - [ -0.0013886300000000, -0.0003985800000000, -0.0003155100000000 ] - [ -0.0010587500000000, 0.0027300500000000, 0.0009838400000000 ] - [ -0.0001168200000000, 0.0000828000000000, -0.0005530500000000 ] - [ 0.0010348700000000, -0.0017912900000000, 0.0023548800000000 ] - [ 0.0002000900000000, 0.0000277900000000, -0.0005581000000000 ] - [ -0.0012131700000000, 0.0016149600000000, -0.0001490300000000 ] - [ -0.0000958400000000, -0.0000926400000000, -0.0002679200000000 ] - [ 0.0001671200000000, -0.0003839300000000, -0.0002675400000000 ] - [ 0.0006811000000000, -0.0008272300000000, 0.0010656400000000 ] - [ 0.0000424300000000, -0.0000713800000000, 0.0000512600000000 ] - [ 0.0004506500000000, 0.0012650200000000, -0.0014502200000000 ] - [ 0.0032951200000000, 0.0028461700000000, -0.0023382300000000 ] - [ 0.0001358000000000, 0.0000278400000000, -0.0001415400000000 ] - [ -0.0006085900000000, 0.0013946800000000, 0.0021050600000000 ] - [ 0.0009741900000000, 0.0000600100000000, 0.0002902700000000 ] - [ 0.0000050300000000, 0.0000188800000000, -0.0001934100000000 ] - [ 0.0000042400000000, -0.0002523100000000, -0.0003128600000000 ] - [ 0.0016540200000000, -0.0028611300000000, 0.0067469000000000 ] - [ 0.0021171700000000, -0.0039274000000000, -0.0163814200000000 ] - [ -0.0006279200000000, -0.0009943000000000, 0.0019177900000000 ] - [ -0.0000214800000000, 0.0000719400000000, 0.0006459600000000 ] - [ 0.0007226500000000, -0.0011999900000000, -0.0009621000000000 ] - [ 0.0004998200000000, 0.0003977600000000, -0.0005861000000000 ] - [ -0.0002713400000000, 0.0004983600000000, -0.0000770200000000 ] - [ 0.0000763500000000, 0.0002377000000000, -0.0004926700000000 ] - [ -0.0009513800000000, 0.0000868500000000, -0.0005691700000000 ] - [ -0.0000323300000000, -0.0000989600000000, -0.0002829300000000 ] - [ 0.0002068200000000, -0.0006280500000000, -0.0004156200000000 ] - [ -0.0013336100000000, -0.0009778200000000, -0.0003445300000000 ] - [ 0.0030986600000000, -0.0007834800000000, 0.0007976600000000 ] - [ 0.0013034700000000, -0.0022173500000000, 0.0009018400000000 ] - [ 0.0000327000000000, -0.0003018400000000, 0.0000641900000000 ] - [ 0.0000114700000000, 0.0000353100000000, -0.0002943300000000 ] - [ -0.0003579500000000, -0.0000797000000000, -0.0002117400000000 ] - [ 0.0008097900000000, 0.0011463000000000, -0.0003388900000000 ] - [ -0.0026909500000000, -0.0007009700000000, -0.0008443600000000 ] - [ 0.0010213200000000, -0.0342273800000000, -0.0062871600000000 ] - [ -0.0009832400000000, -0.0010589000000000, -0.0017622300000000 ] - [ 0.0007871200000000, -0.0007970600000000, -0.0002961900000000 ] - [ 0.0000668100000000, -0.0000755300000000, -0.0000908200000000 ] - [ 0.0050481200000000, -0.0089543600000000, -0.0035527500000000 ] - [ -0.0000557900000000, -0.0000336100000000, 0.0000471500000000 ] - [ 0.0001065800000000, 0.0002363600000000, 0.0006079300000000 ] - [ 0.0003404800000000, -0.0000868200000000, 0.0000671200000000 ] - [ 0.0000172800000000, -0.0000524100000000, -0.0002386100000000 ] - [ -0.0003957800000000, 0.0005542400000000, -0.0014978300000000 ] - [ 0.0005080400000000, -0.0004106800000000, -0.0012854100000000 ] - [ 0.0000246200000000, -0.0000204600000000, -0.0000921100000000 ] - [ 0.0000176900000000, -0.0000118800000000, -0.0004630800000000 ] - [ -0.0000898700000000, 0.0000871300000000, -0.0003253500000000 ] - [ -0.0000714100000000, -0.0002768500000000, 0.0000538000000000 ] - [ -0.0000386400000000, 0.0000566100000000, -0.0004868700000000 ] - [ -0.0002660900000000, -0.0003509000000000, 0.0006014400000000 ] - [ 0.0000283100000000, -0.0000230000000000, -0.0004666200000000 ] - [ 0.0030548300000000, 0.0005502300000000, 0.0014106000000000 ] - [ 0.0000246000000000, 0.0000400200000000, 0.0000516200000000 ] - [ -0.0017991500000000, -0.0019831800000000, 0.0012339100000000 ]- atom: 98 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002437200000000, -0.0001515600000000, 0.0012873900000000 ] - [ -0.0002014300000000, 0.0001830800000000, 0.0003049300000000 ] - [ -0.0001769100000000, 0.0001496700000000, 0.0012898600000000 ] - [ 0.0012708500000000, 0.0018472400000000, -0.0019730800000000 ] - [ 0.0000152400000000, 0.0004562500000000, -0.0005500400000000 ] - [ -0.0000763300000000, -0.0000917600000000, -0.0005129500000000 ] - [ 0.0002593900000000, -0.0000208300000000, -0.0003744100000000 ] - [ 0.0001678800000000, -0.0003305100000000, -0.0008560600000000 ] - [ -0.0002409000000000, 0.0000474400000000, 0.0003601000000000 ] - [ -0.0001140100000000, 0.0002032700000000, -0.0003408000000000 ] - [ 0.0012690600000000, -0.0020545700000000, -0.0021531500000000 ] - [ -0.0002116100000000, -0.0000307500000000, -0.0002440100000000 ] - [ -0.0000995300000000, -0.0001911300000000, -0.0007473000000000 ] - [ -0.0001008600000000, 0.0013701400000000, 0.0005550300000000 ] - [ 0.0001141700000000, -0.0003807800000000, -0.0007623900000000 ] - [ -0.0001501600000000, -0.0001979700000000, 0.0002965600000000 ] - [ -0.0024239000000000, -0.0001451300000000, -0.0017272500000000 ] - [ 0.0002785200000000, 0.0000884500000000, 0.0001940100000000 ] - [ 0.0000134100000000, 0.0001388300000000, -0.0002106000000000 ] - [ -0.0001037600000000, 0.0002172300000000, -0.0007374900000000 ] - [ 0.0002286600000000, -0.0000023100000000, -0.0003484000000000 ] - [ 0.0001105900000000, 0.0000421900000000, -0.0002133200000000 ] - [ -0.0000935000000000, -0.0003808000000000, 0.0010367500000000 ] - [ 0.0001279300000000, 0.0000412700000000, 0.0009240100000000 ] - [ 0.0004737200000000, 0.0000217300000000, -0.0003674200000000 ] - [ -0.0001425900000000, -0.0002231100000000, -0.0006457900000000 ] - [ -0.0000425900000000, 0.0000772300000000, -0.0005184200000000 ] - [ -0.0000880800000000, -0.0000358800000000, 0.0005561900000000 ] - [ -0.0003610600000000, -0.0016643500000000, 0.0036562700000000 ] - [ 0.0000546800000000, 0.0000359500000000, 0.0044153900000000 ] - [ 0.0002749100000000, 0.0000192100000000, -0.0005004200000000 ] - [ 0.0003845800000000, 0.0000180700000000, -0.0004981500000000 ] - [ 0.0008184000000000, -0.0004829600000000, 0.0002922700000000 ] - [ 0.0000934300000000, -0.0000141800000000, 0.0005490500000000 ] - [ 0.0001220100000000, 0.0002774400000000, -0.0002496700000000 ] - [ -0.0002376400000000, -0.0002145700000000, 0.0001896100000000 ] - [ -0.0002032600000000, 0.0003124100000000, -0.0003097700000000 ] - [ -0.0003078300000000, 0.0001646300000000, -0.0004383600000000 ] - [ -0.0001807300000000, -0.0003663800000000, -0.0003423700000000 ] - [ -0.0000181900000000, -0.0010041500000000, 0.0000874900000000 ] - [ 0.0002585200000000, 0.0000189000000000, -0.0006517500000000 ] - [ 0.0003078600000000, -0.0000658400000000, 0.0001868000000000 ] - [ -0.0000417800000000, -0.0000709200000000, -0.0005187000000000 ] - [ -0.0000678200000000, 0.0001321200000000, -0.0005589800000000 ] - [ 0.0000012400000000, -0.0001379600000000, -0.0002148200000000 ] - [ 0.0000323100000000, -0.0005637200000000, 0.0010028200000000 ] - [ -0.0001523200000000, 0.0002047900000000, -0.0006538500000000 ] - [ -0.0002882600000000, -0.0003724900000000, -0.0006198600000000 ] - [ -0.0002509400000000, 0.0003513700000000, -0.0006339500000000 ] - [ 0.0000547100000000, 0.0000059900000000, -0.0006113500000000 ] - [ 0.0000843300000000, 0.0001512500000000, 0.0005483000000000 ] - [ -0.0001752300000000, 0.0003767900000000, 0.0014278400000000 ] - [ -0.0001562600000000, 0.0002255800000000, 0.0002032700000000 ] - [ -0.0000190800000000, -0.0000849500000000, -0.0003743700000000 ] - [ 0.0019664300000000, -0.0005780100000000, 0.0032674800000000 ] - [ 0.0000850300000000, -0.0000435500000000, -0.0002506600000000 ] - [ -0.0001219100000000, -0.0001890300000000, -0.0003463100000000 ] - [ 0.0002702700000000, -0.0001952700000000, 0.0009987900000000 ] - [ -0.0000507300000000, -0.0000706300000000, -0.0000058700000000 ] - [ -0.0000751700000000, 0.0000861700000000, 0.0000285500000000 ] - [ 0.0002687400000000, -0.0000308900000000, -0.0006449100000000 ] - [ -0.0002062200000000, -0.0002082900000000, -0.0003883000000000 ] - [ -0.0011419600000000, 0.0008630000000000, 0.0003272900000000 ] - [ 0.0004985300000000, -0.0001706200000000, 0.0020561500000000 ] - [ -0.0013157400000000, -0.0021198500000000, 0.0012553400000000 ] - [ -0.0000740700000000, 0.0001225500000000, -0.0007831800000000 ] - [ 0.0003402200000000, 0.0005217400000000, -0.0015052100000000 ] - [ 0.0001260000000000, 0.0002575800000000, -0.0011646900000000 ] - [ 0.0003336200000000, -0.0005564700000000, -0.0015292900000000 ] - [ 0.0028549100000000, 0.0033304100000000, -0.0006080400000000 ] - [ 0.0001724600000000, 0.0000526400000000, -0.0014967800000000 ] - [ 0.0001432500000000, -0.0000218400000000, -0.0005255000000000 ] - [ -0.0005663900000000, 0.0002546200000000, -0.0045295100000000 ] - [ -0.0002321500000000, 0.0000130500000000, -0.0011030000000000 ] - [ -0.0001173200000000, -0.0001463600000000, -0.0010883900000000 ] - [ 0.0003048400000000, -0.0003307000000000, -0.0005621600000000 ] - [ -0.0430463600000000, 0.0758635700000000, 0.1177865100000000 ] - [ -0.0000715400000000, -0.0005325600000000, 0.0020351500000000 ] - [ 0.0001034900000000, -0.0002717600000000, -0.0010996300000000 ] - [ 0.0025747900000000, 0.0000205700000000, 0.0012419900000000 ] - [ -0.0032738200000000, -0.0010983800000000, 0.0001818700000000 ] - [ 0.0001791500000000, -0.0003158100000000, 0.0012338900000000 ] - [ -0.0004584300000000, -0.0000171500000000, -0.0005479500000000 ] - [ -0.0012826500000000, 0.0021088600000000, -0.0001785100000000 ] - [ -0.0005029900000000, -0.0006572900000000, -0.0005152600000000 ] - [ -0.0003799200000000, 0.0006474600000000, -0.0004976000000000 ] - [ 0.0007975700000000, 0.0000861100000000, -0.0005292000000000 ] - [ 0.0002249800000000, -0.0002583400000000, 0.0004480200000000 ] - [ 0.0013028400000000, 0.0018616600000000, 0.0004279800000000 ] - [ 0.0067939200000000, -0.0041627200000000, -0.0166754400000000 ] - [ 0.0011835900000000, 0.0006903500000000, -0.0002545900000000 ] - [ 0.0000476400000000, 0.0000202300000000, -0.0000000600000000 ] - [ -0.0000009800000000, 0.0000067400000000, 0.0003513700000000 ] - [ -0.0000536900000000, -0.0000030900000000, 0.0003540400000000 ] - [ 0.0000547200000000, -0.0000382300000000, 0.0001171200000000 ] - [ 0.0002600300000000, 0.0000148000000000, 0.0000950500000000 ] - [ 0.0006340200000000, -0.0010275100000000, 0.0037734300000000 ] - [ 0.0586599600000000, -0.1027706300000000, -0.1214579700000000 ] - [ -0.0008727400000000, -0.0006046100000000, 0.0000039300000000 ] - [ -0.0009001100000000, 0.0000614500000000, -0.0002120100000000 ] - [ 0.0000401500000000, 0.0000367400000000, 0.0000725200000000 ] - [ -0.0000282000000000, 0.0000148800000000, -0.0012369400000000 ] - [ -0.0000419800000000, 0.0000102900000000, -0.0000008900000000 ] - [ 0.0001416300000000, 0.0002375200000000, 0.0000350700000000 ] - [ 0.0001235400000000, 0.0000079900000000, 0.0004933300000000 ] - [ -0.0002479300000000, -0.0006417000000000, 0.0011305900000000 ] - [ 0.0001776700000000, 0.0002559100000000, -0.0004239100000000 ] - [ -0.0002004000000000, 0.0001984200000000, 0.0004248500000000 ] - [ -0.0000398600000000, -0.0001451000000000, 0.0005514500000000 ] - [ -0.0000277300000000, 0.0000786600000000, 0.0001384100000000 ] - [ -0.0001087900000000, 0.0001386500000000, 0.0003660900000000 ] - [ 0.0001227100000000, 0.0004666900000000, -0.0002564100000000 ] - [ -0.0001251100000000, 0.0000969700000000, -0.0012389400000000 ] - [ 0.0000838300000000, 0.0000792700000000, 0.0007568800000000 ] - [ -0.0000414800000000, 0.0004045900000000, -0.0003437200000000 ] - [ -0.0000679100000000, 0.0001089300000000, 0.0015551000000000 ] - [ -0.0023173200000000, -0.0000743600000000, -0.0000344500000000 ] - [ 0.0002244200000000, 0.0002763400000000, 0.0004481800000000 ] - [ 0.0008436900000000, -0.0000606200000000, 0.0009759700000000 ] - [ 0.0000773500000000, -0.0001671100000000, 0.0000306300000000 ] - [ -0.0004053300000000, 0.0000811600000000, 0.0000675900000000 ] - [ 0.0000859200000000, 0.0002246300000000, 0.0000447200000000 ] - [ 0.0000082100000000, 0.0000759000000000, 0.0001152000000000 ] - [ 0.0000284300000000, 0.0003402100000000, -0.0005595000000000 ] - [ -0.0004112800000000, -0.0000108000000000, -0.0010914100000000 ] - [ 0.0000156000000000, -0.0000009400000000, 0.0003293600000000 ] - [ -0.0000579100000000, -0.0001941000000000, -0.0002545800000000 ] - [ 0.0000397100000000, -0.0000008100000000, 0.0000788400000000 ] - [ -0.0001853100000000, 0.0003048600000000, -0.0003236600000000 ] - [ 0.0005403000000000, -0.0001286900000000, 0.0004052900000000 ] - [ 0.0000511200000000, -0.0001451100000000, 0.0000439600000000 ] - [ 0.0000571600000000, 0.0000290500000000, 0.0001110100000000 ] - [ 0.0004366700000000, 0.0001995600000000, 0.0001684400000000 ] - [ -0.0007795200000000, -0.0005074400000000, 0.0003096400000000 ] - [ -0.0000312600000000, 0.0001536700000000, 0.0005074300000000 ] - [ -0.0000982400000000, 0.0001717900000000, -0.0005184200000000 ] - [ 0.0000722000000000, -0.0000006200000000, 0.0005088200000000 ] - [ 0.0007362800000000, 0.0001157200000000, 0.0000977200000000 ] - [ 0.0000020100000000, -0.0000651000000000, 0.0001313600000000 ] - [ 0.0000002200000000, 0.0000153900000000, -0.0000053400000000 ] - [ 0.0002068900000000, -0.0000388400000000, -0.0002547000000000 ] - [ 0.0000323400000000, -0.0000506600000000, 0.0005094700000000 ] - [ -0.0004707300000000, -0.0005799200000000, 0.0003377000000000 ] - [ -0.0034441500000000, -0.0019306900000000, 0.0018689800000000 ] - [ 0.0001583000000000, -0.0000107200000000, 0.0003613000000000 ] - [ 0.0011108000000000, -0.0016861500000000, 0.0006340300000000 ] - [ -0.0000432800000000, -0.0002010600000000, -0.0004240200000000 ] - [ -0.0002237800000000, -0.0002520200000000, 0.0004521200000000 ] - [ 0.0000573200000000, 0.0002610600000000, 0.0000141500000000 ] - [ 0.0008265900000000, -0.0015353400000000, -0.0002687900000000 ] - [ -0.0214192100000000, 0.0379826200000000, 0.0257324700000000 ] - [ -0.0000189900000000, -0.0005713400000000, -0.0000219500000000 ] - [ -0.0000656700000000, -0.0001045800000000, 0.0015416000000000 ] - [ 0.0001453000000000, -0.0002247900000000, 0.0000713700000000 ] - [ 0.0003467900000000, 0.0008295700000000, -0.0002115000000000 ] - [ 0.0000277700000000, 0.0000215900000000, 0.0009623600000000 ] - [ 0.0000722700000000, 0.0001376300000000, 0.0001009400000000 ] - [ -0.0009015600000000, -0.0000705500000000, -0.0002288800000000 ] - [ -0.0000435900000000, -0.0000644400000000, 0.0001630700000000 ] - [ 0.0003224100000000, -0.0008272500000000, -0.0002161800000000 ] - [ 0.0008154000000000, 0.0006609700000000, 0.0002067300000000 ] - [ -0.0003136700000000, 0.0000008400000000, -0.0005909800000000 ] - [ -0.0003313400000000, 0.0005633700000000, -0.0001585900000000 ] - [ -0.0000757500000000, 0.0000485200000000, 0.0003398300000000 ] - [ -0.0000224600000000, -0.0000126000000000, 0.0007164500000000 ] - [ -0.0002594500000000, 0.0000059300000000, 0.0000370900000000 ] - [ -0.0006265000000000, -0.0001120400000000, 0.0001690500000000 ] - [ 0.0020154800000000, 0.0011679000000000, 0.0004344000000000 ] - [ 0.0001980400000000, -0.0080677600000000, -0.0161161900000000 ] - [ 0.0002239400000000, 0.0004782600000000, -0.0011127100000000 ] - [ -0.0006076200000000, 0.0000869000000000, 0.0001720100000000 ] - [ 0.0000274700000000, -0.0000388700000000, 0.0002553100000000 ] - [ -0.0021498800000000, 0.0034845900000000, -0.0004106600000000 ] - [ -0.0000271300000000, -0.0000922100000000, 0.0003956100000000 ] - [ -0.0001510100000000, -0.0001136200000000, 0.0001628700000000 ] - [ 0.0000503400000000, -0.0000241900000000, 0.0000940600000000 ] - [ -0.0000632200000000, 0.0001149000000000, 0.0005336300000000 ] - [ 0.0001161400000000, -0.0001272600000000, 0.0021266900000000 ] - [ -0.0003138100000000, 0.0009414700000000, 0.0009063800000000 ] - [ 0.0000150600000000, 0.0000346500000000, 0.0002523100000000 ] - [ 0.0000017500000000, 0.0000228100000000, -0.0000203200000000 ] - [ -0.0000609500000000, -0.0000063100000000, 0.0005920900000000 ] - [ 0.0000002000000000, 0.0000058100000000, 0.0000914700000000 ] - [ 0.0000003400000000, -0.0000106000000000, 0.0001489500000000 ] - [ 0.0001693300000000, -0.0003691300000000, 0.0001662200000000 ] - [ 0.0000082400000000, 0.0000013800000000, -0.0000207600000000 ] - [ -0.0000016700000000, -0.0001584700000000, -0.0004563700000000 ] - [ 0.0001095700000000, -0.0000289100000000, 0.0004106700000000 ] - [ 0.0001143600000000, 0.0001153000000000, -0.0004476800000000 ]- atom: 98 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001947100000000, 0.0005755100000000, -0.0008604100000000 ] - [ 0.0000879100000000, 0.0000426600000000, 0.0000342800000000 ] - [ 0.0001476800000000, -0.0000416900000000, -0.0010101100000000 ] - [ -0.0012502600000000, -0.0021165800000000, 0.0022219100000000 ] - [ -0.0002653400000000, -0.0000131900000000, 0.0001071400000000 ] - [ -0.0001454000000000, -0.0002936200000000, 0.0005075300000000 ] - [ 0.0001926700000000, 0.0000257900000000, 0.0003641400000000 ] - [ -0.0004302100000000, -0.0001173800000000, 0.0004210000000000 ] - [ 0.0001144600000000, 0.0002018800000000, -0.0002489500000000 ] - [ -0.0001201200000000, 0.0001864000000000, 0.0003296800000000 ] - [ -0.0012522900000000, 0.0023404100000000, 0.0023990700000000 ] - [ 0.0000744900000000, -0.0004070500000000, -0.0000085900000000 ] - [ -0.0000996100000000, -0.0002158000000000, 0.0001589800000000 ] - [ 0.0001374100000000, -0.0015408300000000, -0.0000767000000000 ] - [ 0.0003162000000000, 0.0002767900000000, 0.0005087600000000 ] - [ 0.0000321400000000, -0.0000063600000000, 0.0000459200000000 ] - [ 0.0026686900000000, 0.0001608500000000, 0.0020645100000000 ] - [ -0.0000351000000000, 0.0000685800000000, 0.0000494800000000 ] - [ -0.0000439600000000, 0.0001564000000000, 0.0003252800000000 ] - [ -0.0000911400000000, 0.0002124200000000, 0.0001485800000000 ] - [ 0.0002259800000000, -0.0000054700000000, 0.0003373800000000 ] - [ 0.0001605000000000, 0.0000791700000000, 0.0003278000000000 ] - [ 0.0001506500000000, -0.0000475000000000, -0.0006106400000000 ] - [ -0.0000166200000000, -0.0000344700000000, -0.0006461900000000 ] - [ -0.0001930400000000, -0.0000140000000000, 0.0009542100000000 ] - [ -0.0001105500000000, -0.0001527300000000, 0.0000576500000000 ] - [ -0.0000666500000000, 0.0001289000000000, 0.0001865200000000 ] - [ -0.0000653000000000, -0.0000190600000000, -0.0000599500000000 ] - [ 0.0007111600000000, 0.0019350900000000, -0.0032664400000000 ] - [ 0.0000523900000000, -0.0000364300000000, -0.0043629500000000 ] - [ 0.0004740900000000, -0.0000314900000000, 0.0005440800000000 ] - [ 0.0001240700000000, -0.0000111900000000, 0.0000551000000000 ] - [ -0.0006950100000000, 0.0005817700000000, 0.0002036700000000 ] - [ 0.0000407000000000, -0.0000930700000000, -0.0000571800000000 ] - [ 0.0003145200000000, -0.0001754300000000, -0.0000112400000000 ] - [ -0.0000092800000000, 0.0000934100000000, 0.0000600400000000 ] - [ -0.0001807600000000, 0.0003295500000000, 0.0003518700000000 ] - [ 0.0001827500000000, 0.0002641300000000, 0.0001799600000000 ] - [ -0.0001966700000000, -0.0002864300000000, 0.0003810700000000 ] - [ -0.0001154100000000, 0.0007841400000000, 0.0000330400000000 ] - [ 0.0002117200000000, 0.0000274700000000, 0.0000632300000000 ] - [ -0.0000764500000000, -0.0001158000000000, 0.0000586600000000 ] - [ -0.0000686900000000, -0.0001202100000000, 0.0001801700000000 ] - [ -0.0001551100000000, 0.0002627200000000, 0.0005502800000000 ] - [ -0.0000339500000000, -0.0001655000000000, 0.0003198900000000 ] - [ 0.0003032000000000, 0.0003408300000000, -0.0005679800000000 ] - [ -0.0001357000000000, 0.0001614800000000, 0.0000676500000000 ] - [ 0.0000415600000000, 0.0001919300000000, 0.0007240800000000 ] - [ 0.0000166700000000, -0.0001748900000000, 0.0007460500000000 ] - [ 0.0001784600000000, 0.0000024900000000, 0.0002793600000000 ] - [ -0.0002479700000000, -0.0000904200000000, -0.0000570400000000 ] - [ -0.0002237200000000, -0.0002267000000000, -0.0009988000000000 ] - [ -0.0001170300000000, -0.0001152500000000, 0.0000413800000000 ] - [ -0.0002902300000000, 0.0004063000000000, 0.0001164300000000 ] - [ -0.0020716800000000, 0.0004683900000000, -0.0030344700000000 ] - [ 0.0001846800000000, -0.0000714600000000, 0.0003628600000000 ] - [ -0.0001000400000000, -0.0001949700000000, 0.0003394600000000 ] - [ -0.0006932600000000, 0.0000434300000000, -0.0005634700000000 ] - [ -0.0000894600000000, -0.0001719600000000, 0.0005898200000000 ] - [ -0.0000582800000000, 0.0001602200000000, 0.0005576800000000 ] - [ 0.0001919900000000, -0.0000354500000000, 0.0000585000000000 ] - [ -0.0001013800000000, -0.0001286200000000, 0.0001382300000000 ] - [ 0.0014287300000000, -0.0008644400000000, -0.0002329700000000 ] - [ -0.0004565400000000, 0.0000831000000000, -0.0014662000000000 ] - [ 0.0012427800000000, 0.0022254900000000, -0.0009988400000000 ] - [ 0.0000815800000000, -0.0001287200000000, 0.0009456300000000 ] - [ -0.0003384700000000, -0.0005209000000000, 0.0005161100000000 ] - [ 0.0001544300000000, 0.0002304800000000, 0.0010680000000000 ] - [ -0.0003333500000000, 0.0005547600000000, 0.0005401700000000 ] - [ -0.0028752900000000, -0.0033638000000000, 0.0015120300000000 ] - [ -0.0001745400000000, -0.0000533800000000, 0.0008242100000000 ] - [ 0.0000930800000000, 0.0004346500000000, 0.0000540600000000 ] - [ 0.0001038100000000, -0.0002578700000000, 0.0040854000000000 ] - [ -0.0003337700000000, -0.0000130500000000, 0.0010070700000000 ] - [ 0.0001106200000000, 0.0001517800000000, 0.0012549400000000 ] - [ -0.0000753200000000, -0.0000703400000000, 0.0000839300000000 ] - [ 0.0421590300000000, -0.0744863600000000, -0.1176258000000000 ] - [ 0.0001295500000000, 0.0006398800000000, -0.0014400500000000 ] - [ 0.0001794300000000, -0.0002191700000000, 0.0010030500000000 ] - [ -0.0024341300000000, -0.0000229700000000, -0.0009854500000000 ] - [ 0.0033253100000000, 0.0010984400000000, -0.0007853400000000 ] - [ -0.0002019600000000, 0.0003377900000000, -0.0018541700000000 ] - [ 0.0004577200000000, 0.0000182700000000, 0.0012531400000000 ] - [ 0.0012122700000000, -0.0022224900000000, 0.0004158600000000 ] - [ 0.0005008800000000, 0.0006556700000000, 0.0002746900000000 ] - [ 0.0003785400000000, -0.0006526100000000, 0.0002529900000000 ] - [ -0.0007991700000000, -0.0000803100000000, 0.0008542500000000 ] - [ -0.0001082100000000, 0.0000601900000000, -0.0001976000000000 ] - [ -0.0008725000000000, -0.0016764400000000, 0.0001152300000000 ] - [ -0.0060328300000000, 0.0039780400000000, 0.0170496300000000 ] - [ -0.0011953800000000, -0.0006933400000000, 0.0013327000000000 ] - [ 0.0001497300000000, 0.0002548900000000, -0.0006492600000000 ] - [ 0.0001582100000000, 0.0002653300000000, -0.0004450700000000 ] - [ -0.0002523900000000, 0.0000108600000000, -0.0004469000000000 ] - [ 0.0002139700000000, 0.0001898400000000, -0.0006154500000000 ] - [ -0.0002608400000000, -0.0000174500000000, -0.0009159300000000 ] - [ -0.0005591600000000, 0.0010377200000000, -0.0033551200000000 ] - [ -0.0582376900000000, 0.1015154200000000, 0.1221268100000000 ] - [ 0.0019919300000000, 0.0006162000000000, 0.0008050300000000 ] - [ -0.0007629900000000, -0.0001138000000000, -0.0007599300000000 ] - [ 0.0001620800000000, -0.0003145800000000, -0.0007236900000000 ] - [ -0.0000647600000000, -0.0001769300000000, 0.0010412800000000 ] - [ -0.0002985800000000, 0.0000264700000000, -0.0006490600000000 ] - [ 0.0007271300000000, 0.0011708000000000, -0.0010070400000000 ] - [ -0.0003521200000000, -0.0000062100000000, -0.0002429300000000 ] - [ 0.0005221700000000, 0.0010959900000000, -0.0013892400000000 ] - [ 0.0003829500000000, -0.0000176600000000, 0.0008029600000000 ] - [ 0.0000774900000000, 0.0000154100000000, -0.0004209300000000 ] - [ -0.0000932700000000, -0.0000858800000000, -0.0009266000000000 ] - [ 0.0000250500000000, 0.0002306800000000, -0.0006368700000000 ] - [ 0.0000647000000000, -0.0000706800000000, 0.0000859100000000 ] - [ 0.0001069700000000, -0.0008542500000000, -0.0000872200000000 ] - [ 0.0000331200000000, 0.0000502700000000, 0.0010435100000000 ] - [ -0.0000826600000000, -0.0000772800000000, -0.0007910000000000 ] - [ -0.0000277900000000, 0.0001981600000000, 0.0007217500000000 ] - [ 0.0000647500000000, -0.0001124300000000, 0.0000709300000000 ] - [ 0.0018580700000000, 0.0000774500000000, -0.0003074500000000 ] - [ -0.0001095900000000, -0.0000777800000000, -0.0001987900000000 ] - [ -0.0010659800000000, 0.0000526100000000, -0.0013215600000000 ] - [ 0.0000568000000000, -0.0001350900000000, -0.0006775500000000 ] - [ -0.0001140100000000, -0.0000755500000000, -0.0003144500000000 ] - [ 0.0001643600000000, 0.0002307300000000, -0.0002917900000000 ] - [ -0.0002687200000000, 0.0000893000000000, -0.0006158300000000 ] - [ -0.0003449800000000, -0.0008919200000000, 0.0009914300000000 ] - [ 0.0005462000000000, 0.0000174200000000, 0.0005642200000000 ] - [ 0.0001440200000000, -0.0002600100000000, -0.0004221800000000 ] - [ -0.0000183400000000, 0.0000451500000000, 0.0005814700000000 ] - [ -0.0003709700000000, -0.0000343900000000, -0.0007265500000000 ] - [ -0.0001294800000000, 0.0002297800000000, 0.0007508500000000 ] - [ -0.0009100400000000, 0.0004042000000000, 0.0001412900000000 ] - [ 0.0002070500000000, -0.0003330800000000, -0.0002930200000000 ] - [ 0.0002157700000000, -0.0001719100000000, -0.0006116200000000 ] - [ -0.0007899600000000, -0.0004687600000000, 0.0003707800000000 ] - [ 0.0002296800000000, 0.0014813000000000, 0.0005007800000000 ] - [ -0.0000992100000000, 0.0000869700000000, -0.0008790000000000 ] - [ 0.0001038700000000, -0.0001834500000000, 0.0016008200000000 ] - [ 0.0002010800000000, 0.0000077100000000, -0.0008809800000000 ] - [ -0.0008315200000000, 0.0000418600000000, 0.0002197700000000 ] - [ -0.0002636200000000, -0.0000920400000000, -0.0006290900000000 ] - [ 0.0000990200000000, -0.0002049200000000, -0.0003305100000000 ] - [ -0.0000278500000000, 0.0000383900000000, 0.0005775900000000 ] - [ -0.0000312100000000, 0.0000542800000000, -0.0005404600000000 ] - [ 0.0004763000000000, 0.0005897100000000, -0.0012138900000000 ] - [ 0.0029233100000000, 0.0009879000000000, -0.0010766800000000 ] - [ 0.0000896100000000, 0.0000104400000000, -0.0003567100000000 ] - [ -0.0006849200000000, 0.0015008800000000, -0.0000877500000000 ] - [ -0.0000271800000000, -0.0004181500000000, 0.0008028700000000 ] - [ 0.0001029800000000, 0.0000412800000000, -0.0004487800000000 ] - [ 0.0000440500000000, -0.0000874200000000, -0.0003497500000000 ] - [ -0.0008831900000000, 0.0014250900000000, -0.0002407200000000 ] - [ 0.0211358400000000, -0.0371710000000000, -0.0251132400000000 ] - [ 0.0002446900000000, 0.0009609800000000, -0.0003187800000000 ] - [ 0.0000634300000000, 0.0000996300000000, 0.0000840900000000 ] - [ 0.0007199100000000, -0.0011905300000000, -0.0010427300000000 ] - [ 0.0004392300000000, 0.0006286500000000, -0.0007615300000000 ] - [ 0.0002395500000000, -0.0004721200000000, -0.0012171600000000 ] - [ 0.0000665500000000, 0.0001699200000000, -0.0007514200000000 ] - [ -0.0007588500000000, 0.0001119400000000, -0.0007434800000000 ] - [ 0.0000391900000000, -0.0002417400000000, -0.0006612300000000 ] - [ 0.0004630800000000, -0.0006395600000000, -0.0007555000000000 ] - [ -0.0009115300000000, -0.0008079800000000, 0.0001138600000000 ] - [ 0.0009083300000000, -0.0002419700000000, 0.0009716100000000 ] - [ 0.0002544700000000, -0.0004391900000000, 0.0004858400000000 ] - [ 0.0000320300000000, -0.0001265600000000, 0.0001135100000000 ] - [ 0.0000198200000000, 0.0000075100000000, -0.0007977000000000 ] - [ -0.0002822600000000, -0.0000219900000000, -0.0002860400000000 ] - [ 0.0005665900000000, 0.0005700900000000, 0.0003720300000000 ] - [ -0.0018775600000000, -0.0011842400000000, -0.0001163200000000 ] - [ -0.0006133600000000, 0.0074974100000000, 0.0164455100000000 ] - [ -0.0002865100000000, -0.0003648300000000, 0.0005866800000000 ] - [ 0.0005486300000000, -0.0005286200000000, 0.0003670000000000 ] - [ 0.0000151100000000, -0.0000473000000000, -0.0003058300000000 ] - [ 0.0020554400000000, -0.0037217100000000, 0.0006086300000000 ] - [ 0.0000237800000000, 0.0000758500000000, -0.0002391600000000 ] - [ -0.0003057000000000, 0.0001210200000000, 0.0001787700000000 ] - [ -0.0000230200000000, -0.0000239000000000, -0.0000652200000000 ] - [ 0.0000608600000000, -0.0001214300000000, -0.0003800900000000 ] - [ -0.0001702100000000, 0.0001251800000000, -0.0020906200000000 ] - [ 0.0005511400000000, -0.0005454600000000, -0.0005752900000000 ] - [ 0.0000273300000000, 0.0000388300000000, -0.0003086600000000 ] - [ 0.0000157600000000, 0.0000074600000000, -0.0006829100000000 ] - [ -0.0000346400000000, 0.0000002700000000, -0.0006422300000000 ] - [ 0.0000258800000000, 0.0000390700000000, -0.0000646700000000 ] - [ -0.0000158600000000, 0.0000182600000000, -0.0008574500000000 ] - [ 0.0000625700000000, -0.0000229000000000, 0.0001754100000000 ] - [ 0.0000058200000000, -0.0000110500000000, -0.0006867200000000 ] - [ 0.0002594800000000, 0.0001650900000000, 0.0006674000000000 ] - [ -0.0001238700000000, 0.0000175800000000, -0.0002543200000000 ] - [ -0.0002432200000000, 0.0000799200000000, 0.0006573900000000 ]- atom: 99 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0003542100000000, -0.0000311500000000, 0.0002221500000000 ] - [ -0.0002536600000000, 0.0002941000000000, 0.0004384600000000 ] - [ 0.0003241800000000, -0.0006915300000000, -0.0029730600000000 ] - [ 0.0001090500000000, -0.0000890400000000, 0.0001118800000000 ] - [ 0.0002236500000000, -0.0006546800000000, 0.0018912700000000 ] - [ 0.0000149000000000, -0.0002648500000000, 0.0002501600000000 ] - [ 0.0000492700000000, 0.0001091400000000, -0.0001205600000000 ] - [ -0.0001069200000000, 0.0011536800000000, 0.0001344200000000 ] - [ 0.0005509100000000, -0.0012124000000000, -0.0000182600000000 ] - [ -0.0002833700000000, 0.0003023300000000, 0.0000297000000000 ] - [ 0.0001343600000000, 0.0001325700000000, 0.0000846500000000 ] - [ 0.0002432200000000, 0.0002999300000000, -0.0005559700000000 ] - [ -0.0000560200000000, -0.0001827300000000, -0.0002399100000000 ] - [ 0.0037228400000000, -0.0012540900000000, 0.0003720100000000 ] - [ 0.0003428400000000, -0.0000376300000000, -0.0001919200000000 ] - [ -0.0001304600000000, 0.0000108600000000, 0.0001217800000000 ] - [ 0.0000594400000000, 0.0000591900000000, 0.0001106100000000 ] - [ 0.0002995600000000, -0.0000327000000000, 0.0004004100000000 ] - [ -0.0000437800000000, 0.0001844300000000, 0.0001347900000000 ] - [ -0.0000528600000000, 0.0002021400000000, -0.0002334900000000 ] - [ 0.0002150700000000, -0.0001378800000000, 0.0002362700000000 ] - [ 0.0001175600000000, 0.0000523700000000, 0.0000829300000000 ] - [ 0.0002928500000000, -0.0009743200000000, -0.0000488100000000 ] - [ -0.0003517700000000, 0.0021949500000000, 0.0023058300000000 ] - [ 0.0001861600000000, 0.0000102600000000, 0.0003705800000000 ] - [ -0.0001311500000000, -0.0002051300000000, -0.0002709900000000 ] - [ -0.0001175800000000, 0.0001706300000000, -0.0001009400000000 ] - [ -0.0036376300000000, 0.0047131300000000, 0.0008186600000000 ] - [ 0.0002226400000000, 0.0001058900000000, 0.0001807500000000 ] - [ 0.0002949600000000, 0.0007491800000000, 0.0000138400000000 ] - [ 0.0005657000000000, 0.0000196100000000, 0.0000579500000000 ] - [ -0.0012186000000000, 0.0012853900000000, -0.0024998000000000 ] - [ -0.0014370500000000, -0.0007148800000000, -0.0000869300000000 ] - [ -0.0005822100000000, -0.0037588700000000, 0.0003434600000000 ] - [ 0.0006996100000000, -0.0004566300000000, 0.0001120100000000 ] - [ -0.0001846400000000, -0.0002522600000000, 0.0003655200000000 ] - [ -0.0001052800000000, 0.0001197300000000, -0.0001269800000000 ] - [ 0.0007216100000000, -0.0000347500000000, -0.0007798600000000 ] - [ -0.0002302900000000, -0.0003613000000000, 0.0001482100000000 ] - [ -0.0002580300000000, -0.0003477100000000, -0.0000708900000000 ] - [ 0.0002453500000000, -0.0000008900000000, -0.0002825200000000 ] - [ 0.0000404300000000, -0.0000381200000000, 0.0000978000000000 ] - [ -0.0001028700000000, -0.0001154100000000, -0.0000620600000000 ] - [ -0.0000230600000000, 0.0003078000000000, 0.0001737000000000 ] - [ -0.0000226800000000, -0.0001494700000000, 0.0001666800000000 ] - [ 0.0006246800000000, -0.0006988400000000, -0.0001003500000000 ] - [ -0.0001373000000000, 0.0001462400000000, -0.0002328700000000 ] - [ -0.0001047700000000, -0.0000801300000000, 0.0000784000000000 ] - [ -0.0001114900000000, 0.0001010200000000, 0.0001062600000000 ] - [ 0.0001562700000000, 0.0000165900000000, -0.0000466600000000 ] - [ 0.0007318600000000, 0.0042878700000000, -0.0001050500000000 ] - [ 0.0008064400000000, -0.0001118800000000, 0.0007906100000000 ] - [ -0.0001314200000000, -0.0000489700000000, 0.0000842600000000 ] - [ -0.0004916900000000, 0.0000667200000000, -0.0001913800000000 ] - [ -0.0008788600000000, 0.0003345600000000, 0.0001947800000000 ] - [ 0.0000976700000000, -0.0000560900000000, 0.0001405300000000 ] - [ -0.0001738900000000, -0.0000907900000000, -0.0003019900000000 ] - [ 0.0001330200000000, 0.0004649100000000, 0.0005445900000000 ] - [ -0.0000777900000000, -0.0001255700000000, 0.0003402000000000 ] - [ -0.0000391400000000, 0.0000649200000000, 0.0003533800000000 ] - [ 0.0001979600000000, -0.0000230400000000, -0.0002372900000000 ] - [ 0.0000394800000000, -0.0008855300000000, 0.0000608600000000 ] - [ 0.0015905100000000, 0.0002338600000000, -0.0000722700000000 ] - [ -0.0019216500000000, -0.0054499800000000, 0.0027594200000000 ] - [ 0.0001157000000000, -0.0002159800000000, -0.0004428200000000 ] - [ -0.0000441700000000, -0.0002286500000000, 0.0000445000000000 ] - [ 0.0000864200000000, -0.0000553600000000, -0.0003380200000000 ] - [ 0.0000912300000000, 0.0003065700000000, 0.0001381600000000 ] - [ 0.0000042000000000, -0.0000376400000000, -0.0003415600000000 ] - [ -0.1713225500000000, 0.0737775800000000, -0.0442740500000000 ] - [ -0.0006944600000000, 0.0002803700000000, 0.0004897600000000 ] - [ -0.0015047900000000, 0.0003713000000000, 0.0016964900000000 ] - [ 0.0017944600000000, 0.0007072800000000, 0.0009720700000000 ] - [ -0.0003112200000000, 0.0000848100000000, 0.0000998600000000 ] - [ 0.0004037100000000, -0.0001423200000000, -0.0000507500000000 ] - [ -0.0008132600000000, -0.0019876700000000, -0.0050166500000000 ] - [ 0.0021521300000000, 0.0020231200000000, -0.0006078900000000 ] - [ -0.0025120700000000, 0.0001569200000000, -0.0007267200000000 ] - [ 0.0002166400000000, -0.0003880200000000, 0.0001359900000000 ] - [ 0.0001881400000000, 0.0002878200000000, 0.0011982200000000 ] - [ 0.0011978800000000, -0.0024802000000000, -0.0003509800000000 ] - [ 0.0012386500000000, 0.0003917000000000, -0.0005292500000000 ] - [ -0.0000785300000000, 0.0000798200000000, 0.0005368500000000 ] - [ -0.0003115700000000, -0.0000427200000000, 0.0002556600000000 ] - [ -0.0001919200000000, 0.0001222900000000, -0.0001823800000000 ] - [ -0.0000101500000000, 0.0000873600000000, -0.0001397600000000 ] - [ 0.0006566600000000, -0.0006575800000000, 0.0002709300000000 ] - [ 0.0000945000000000, -0.0001352800000000, 0.0000580800000000 ] - [ 0.0001820100000000, 0.0001153600000000, 0.0003904700000000 ] - [ -0.0010631400000000, -0.0003949700000000, 0.0000001200000000 ] - [ -0.0003759200000000, 0.0005504800000000, 0.0005624800000000 ] - [ 0.0001548300000000, 0.0002731700000000, -0.0002972600000000 ] - [ 0.0000976900000000, 0.0001424900000000, -0.0001072800000000 ] - [ -0.0001847900000000, -0.0000131600000000, -0.0000781600000000 ] - [ 0.0001552100000000, 0.0000478700000000, -0.0002723100000000 ] - [ 0.0000373500000000, -0.0000373100000000, -0.0005093400000000 ] - [ -0.0010456000000000, -0.0005532700000000, -0.0004774200000000 ] - [ -0.0006147000000000, -0.0002967300000000, 0.0003732500000000 ] - [ 0.2158003000000000, -0.0702620600000000, 0.0604929800000000 ] - [ -0.0008453500000000, -0.0000308200000000, -0.0005416900000000 ] - [ -0.0000213900000000, 0.0000463200000000, -0.0003090400000000 ] - [ 0.0003850700000000, -0.0001875000000000, 0.0004273600000000 ] - [ -0.0001091600000000, 0.0000284100000000, -0.0003437600000000 ] - [ 0.0004151000000000, 0.0007296700000000, -0.0005454200000000 ] - [ -0.0000609600000000, -0.0000165300000000, 0.0000534400000000 ] - [ -0.0007283900000000, -0.0001838300000000, -0.0004957800000000 ] - [ 0.0018459300000000, 0.0007468200000000, 0.0013032800000000 ] - [ 0.0001649600000000, -0.0001197400000000, -0.0005072000000000 ] - [ -0.0000523800000000, -0.0001270200000000, -0.0003077500000000 ] - [ -0.0000119900000000, 0.0002294200000000, -0.0003453400000000 ] - [ 0.0001202000000000, 0.0023695900000000, 0.0032507700000000 ] - [ -0.0000526600000000, 0.0001058200000000, -0.0000559800000000 ] - [ 0.0003801200000000, 0.0009463200000000, -0.0016523200000000 ] - [ -0.0001981900000000, 0.0001250800000000, 0.0000937300000000 ] - [ 0.0011189900000000, -0.0002879900000000, 0.0005160500000000 ] - [ -0.0000022900000000, 0.0000081900000000, 0.0007112800000000 ] - [ -0.0005194900000000, -0.0000378000000000, -0.0004560300000000 ] - [ 0.0000680200000000, 0.0000574200000000, 0.0000561200000000 ] - [ -0.0014832600000000, -0.0001134100000000, -0.0004579200000000 ] - [ -0.0000221600000000, -0.0000583400000000, -0.0003411300000000 ] - [ 0.0009580500000000, 0.0000411800000000, 0.0008971100000000 ] - [ 0.0003261600000000, 0.0008151300000000, 0.0011248900000000 ] - [ -0.0001832700000000, 0.0001299700000000, -0.0003437800000000 ] - [ 0.0004439400000000, -0.0001004600000000, 0.0002654500000000 ] - [ -0.0001135700000000, -0.0002028600000000, -0.0011099400000000 ] - [ 0.0000430700000000, -0.0000582500000000, -0.0000785300000000 ] - [ -0.0005839200000000, -0.0006982700000000, 0.0001992400000000 ] - [ -0.0003973100000000, 0.0000494400000000, -0.0002742900000000 ] - [ -0.0004889500000000, 0.0023568700000000, 0.0003337400000000 ] - [ 0.0000054100000000, 0.0001329600000000, 0.0002036700000000 ] - [ 0.0008971200000000, -0.0009791600000000, -0.0004235100000000 ] - [ 0.0001907100000000, -0.0001312400000000, -0.0003116900000000 ] - [ -0.0001801600000000, -0.0000921500000000, 0.0003910800000000 ] - [ -0.0499043000000000, 0.0081963000000000, -0.0065891200000000 ] - [ -0.0000826200000000, 0.0001532300000000, -0.0002946100000000 ] - [ -0.0002531200000000, -0.0000177600000000, 0.0006621400000000 ] - [ 0.0001383400000000, -0.0000173500000000, -0.0003045800000000 ] - [ -0.0014102100000000, 0.0014845200000000, 0.0000572800000000 ] - [ -0.0001100700000000, -0.0001092900000000, -0.0003027100000000 ] - [ -0.0004876700000000, 0.0012502000000000, 0.0009480700000000 ] - [ -0.0009139500000000, 0.0002727500000000, 0.0002975000000000 ] - [ -0.0000149900000000, 0.0000756600000000, 0.0000205100000000 ] - [ -0.0019544800000000, -0.0143308800000000, -0.0087613600000000 ] - [ 0.0178225300000000, -0.0089809500000000, 0.0008026000000000 ] - [ 0.0005473300000000, -0.0001454300000000, -0.0001128400000000 ] - [ 0.0002890800000000, -0.0001855500000000, 0.0002305700000000 ] - [ -0.0000875400000000, 0.0038392700000000, -0.0029801300000000 ] - [ 0.0001242000000000, -0.0002218700000000, -0.0004010400000000 ] - [ 0.0005360600000000, 0.0004686000000000, -0.0006803100000000 ] - [ 0.0001279300000000, -0.0000604400000000, -0.0003390900000000 ] - [ -0.0002902600000000, -0.0003804000000000, 0.0004286900000000 ] - [ 0.0001932900000000, 0.0002749800000000, -0.0002138100000000 ] - [ -0.0000247600000000, 0.0000117600000000, 0.0007122100000000 ] - [ 0.0004140200000000, -0.0007109700000000, -0.0005327100000000 ] - [ 0.0004046900000000, 0.0007728100000000, -0.0005488400000000 ] - [ -0.0003450900000000, -0.0005000700000000, -0.0003865800000000 ] - [ -0.0000642800000000, 0.0001184100000000, -0.0003214300000000 ] - [ -0.0009014700000000, 0.0000503500000000, -0.0005646800000000 ] - [ 0.0000094600000000, -0.0002187100000000, -0.0003355900000000 ] - [ 0.0003744400000000, -0.0006993800000000, -0.0005224900000000 ] - [ -0.0000895000000000, 0.0012116900000000, 0.0003198000000000 ] - [ 0.0010706400000000, 0.0009621900000000, -0.0003151100000000 ] - [ -0.0001200900000000, 0.0001630100000000, 0.0002167000000000 ] - [ 0.0009648200000000, 0.0006086100000000, -0.0009403100000000 ] - [ 0.0001280300000000, -0.0000511900000000, -0.0004207200000000 ] - [ 0.0004178000000000, 0.0002825800000000, -0.0005753400000000 ] - [ -0.0000445700000000, 0.0001784800000000, -0.0000178700000000 ] - [ -0.0006363000000000, 0.0004434800000000, 0.0003750700000000 ] - [ -0.0018994600000000, -0.0013194000000000, 0.0014373600000000 ] - [ -0.0001496200000000, 0.0002763100000000, 0.0002203300000000 ] - [ 0.0000991200000000, -0.0004907400000000, 0.0000069000000000 ] - [ 0.0000288500000000, -0.0000333600000000, -0.0000784600000000 ] - [ 0.0002377500000000, -0.0001393900000000, 0.0002157600000000 ] - [ -0.0001812200000000, 0.0003236800000000, -0.0002145200000000 ] - [ -0.0038505300000000, -0.0012641900000000, 0.0027311700000000 ] - [ 0.0000262200000000, 0.0000112700000000, -0.0001904000000000 ] - [ 0.0001127300000000, -0.0000960500000000, 0.0000205600000000 ] - [ -0.0000698400000000, -0.0000217100000000, 0.0000208200000000 ] - [ 0.0002333900000000, -0.0000951100000000, 0.0002915000000000 ] - [ 0.0000378900000000, 0.0000382500000000, -0.0000849600000000 ] - [ 0.0000685400000000, 0.0000407400000000, -0.0004718200000000 ] - [ -0.0000756200000000, -0.0000096900000000, -0.0000844700000000 ] - [ 0.0000514400000000, -0.0000010500000000, 0.0000205300000000 ] - [ -0.0001035300000000, -0.0000148000000000, -0.0004891200000000 ] - [ -0.0008486500000000, 0.0018258900000000, -0.0009414900000000 ] - [ 0.0000572400000000, -0.0000160900000000, -0.0002409400000000 ] - [ -0.0036567300000000, -0.0011597800000000, -0.0016060400000000 ] - [ -0.0001078600000000, -0.0001858200000000, 0.0005243300000000 ] - [ -0.0010362900000000, 0.0021470100000000, 0.0011247600000000 ]- atom: 99 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0004084000000000, 0.0004488500000000, 0.0002092000000000 ] - [ 0.0001420000000000, -0.0000689800000000, -0.0001023600000000 ] - [ -0.0003812200000000, 0.0007959900000000, 0.0032380000000000 ] - [ -0.0000931000000000, -0.0001867000000000, 0.0001398200000000 ] - [ -0.0004830300000000, 0.0011197400000000, -0.0023330600000000 ] - [ -0.0002379700000000, -0.0001180700000000, -0.0002582700000000 ] - [ 0.0004053800000000, -0.0001059000000000, 0.0001099400000000 ] - [ -0.0001544700000000, -0.0016212300000000, -0.0005912300000000 ] - [ -0.0006793100000000, 0.0014589200000000, 0.0001352200000000 ] - [ 0.0000505800000000, 0.0000874700000000, -0.0000418000000000 ] - [ -0.0001210300000000, 0.0001582600000000, 0.0001612400000000 ] - [ -0.0003829700000000, -0.0007394500000000, 0.0003096500000000 ] - [ -0.0001425000000000, -0.0002218000000000, -0.0003469500000000 ] - [ -0.0036861500000000, 0.0011007700000000, 0.0001345100000000 ] - [ 0.0000840300000000, -0.0000705200000000, -0.0000657700000000 ] - [ 0.0000126200000000, -0.0002144500000000, 0.0002189600000000 ] - [ 0.0001916200000000, -0.0000430500000000, 0.0002261500000000 ] - [ -0.0000561400000000, 0.0001900900000000, -0.0001556000000000 ] - [ 0.0000130700000000, 0.0001133200000000, -0.0000255000000000 ] - [ -0.0001414700000000, 0.0002256000000000, -0.0003538600000000 ] - [ 0.0002390200000000, 0.0001319100000000, -0.0002485900000000 ] - [ 0.0001552300000000, 0.0000702500000000, 0.0000264100000000 ] - [ -0.0002424400000000, 0.0005420000000000, 0.0004738300000000 ] - [ 0.0004820900000000, -0.0021914900000000, -0.0020326400000000 ] - [ 0.0000931000000000, -0.0000026000000000, 0.0002127800000000 ] - [ -0.0001199800000000, -0.0001682000000000, -0.0003154400000000 ] - [ 0.0000095300000000, 0.0000338100000000, -0.0002332800000000 ] - [ 0.0039708400000000, -0.0051660700000000, -0.0003867000000000 ] - [ 0.0001111900000000, 0.0001475800000000, 0.0002513600000000 ] - [ -0.0003075100000000, -0.0005973300000000, 0.0004843200000000 ] - [ 0.0001817200000000, -0.0000314900000000, -0.0000164500000000 ] - [ 0.0017506100000000, -0.0012932100000000, 0.0020565200000000 ] - [ 0.0015900900000000, 0.0007953400000000, 0.0005847200000000 ] - [ 0.0007023200000000, 0.0036440400000000, 0.0001555400000000 ] - [ -0.0002622400000000, 0.0005635300000000, -0.0003675800000000 ] - [ -0.0000620900000000, 0.0001296100000000, -0.0001146500000000 ] - [ -0.0002796700000000, 0.0005236400000000, 0.0001707300000000 ] - [ -0.0008558000000000, 0.0004654000000000, 0.0005271400000000 ] - [ -0.0001476000000000, -0.0002926800000000, -0.0001112900000000 ] - [ 0.0001249300000000, 0.0001175300000000, 0.0001935200000000 ] - [ 0.0002215500000000, 0.0000466600000000, -0.0003041500000000 ] - [ 0.0001929900000000, -0.0001449500000000, 0.0001492800000000 ] - [ -0.0000068400000000, -0.0000741300000000, -0.0002791700000000 ] - [ -0.0002012900000000, 0.0000861700000000, -0.0001865600000000 ] - [ -0.0000100700000000, -0.0001561800000000, -0.0000668400000000 ] - [ -0.0002829800000000, 0.0004505900000000, 0.0005256000000000 ] - [ -0.0001491400000000, 0.0002177200000000, -0.0003522300000000 ] - [ -0.0001437800000000, -0.0001007500000000, 0.0000221200000000 ] - [ -0.0001252000000000, 0.0000767100000000, 0.0000019600000000 ] - [ 0.0000743400000000, -0.0000077500000000, -0.0002874700000000 ] - [ -0.0008735000000000, -0.0042792900000000, 0.0006096300000000 ] - [ -0.0011978700000000, 0.0002818100000000, -0.0003669000000000 ] - [ -0.0001443500000000, 0.0001600800000000, 0.0001628000000000 ] - [ 0.0001868700000000, 0.0002511400000000, -0.0000658500000000 ] - [ 0.0008157800000000, -0.0004528000000000, 0.0000937300000000 ] - [ 0.0001743500000000, -0.0000599100000000, -0.0000327900000000 ] - [ -0.0000476500000000, -0.0002946300000000, 0.0002969500000000 ] - [ -0.0005352100000000, -0.0006372300000000, -0.0001194100000000 ] - [ -0.0000625800000000, -0.0001171100000000, 0.0002409900000000 ] - [ -0.0000942100000000, 0.0001810300000000, 0.0002298800000000 ] - [ 0.0002601700000000, -0.0000429400000000, -0.0003484300000000 ] - [ -0.0003518700000000, 0.0005482500000000, -0.0003082900000000 ] - [ -0.0013209300000000, -0.0002229800000000, 0.0001868100000000 ] - [ 0.0019966800000000, 0.0053869800000000, -0.0021862300000000 ] - [ -0.0001858100000000, 0.0003311100000000, 0.0006752700000000 ] - [ 0.0000521400000000, 0.0002252600000000, 0.0001205200000000 ] - [ -0.0000869200000000, 0.0000549400000000, -0.0006545500000000 ] - [ 0.0001895300000000, 0.0001800800000000, -0.0002405400000000 ] - [ -0.0000051100000000, 0.0000380800000000, -0.0006509700000000 ] - [ 0.1672328700000000, -0.0750105000000000, 0.0434963700000000 ] - [ 0.0006993300000000, -0.0002818200000000, -0.0011759600000000 ] - [ 0.0017429500000000, 0.0000439300000000, -0.0021657000000000 ] - [ -0.0022765500000000, -0.0006992800000000, -0.0014425300000000 ] - [ -0.0002547100000000, -0.0000852200000000, -0.0002015100000000 ] - [ -0.0004156700000000, 0.0001465100000000, 0.0002163900000000 ] - [ 0.0010590900000000, 0.0015943100000000, 0.0045852700000000 ] - [ -0.0022622000000000, -0.0019995300000000, 0.0011965600000000 ] - [ 0.0025610000000000, -0.0000557300000000, 0.0013245500000000 ] - [ 0.0000653600000000, -0.0001005900000000, -0.0002383400000000 ] - [ -0.0000559800000000, -0.0002913700000000, -0.0009670100000000 ] - [ -0.0012019200000000, 0.0024783800000000, -0.0002423200000000 ] - [ -0.0012457800000000, -0.0003876700000000, -0.0000632300000000 ] - [ 0.0000794800000000, -0.0000783800000000, 0.0001642700000000 ] - [ 0.0002444400000000, -0.0000750700000000, -0.0000148700000000 ] - [ 0.0001916100000000, -0.0001262000000000, -0.0000556300000000 ] - [ 0.0000067400000000, -0.0000905100000000, -0.0000986700000000 ] - [ -0.0006544000000000, 0.0006609900000000, 0.0000506400000000 ] - [ 0.0000207800000000, -0.0000613600000000, 0.0001956100000000 ] - [ 0.0002435700000000, 0.0000610400000000, 0.0001604800000000 ] - [ 0.0016937000000000, 0.0003865500000000, 0.0004252100000000 ] - [ 0.0003795500000000, -0.0005526900000000, 0.0005006300000000 ] - [ 0.0000411700000000, 0.0000009500000000, -0.0003525500000000 ] - [ 0.0000597600000000, 0.0001309500000000, 0.0000126900000000 ] - [ -0.0001218800000000, 0.0000211000000000, -0.0000156100000000 ] - [ 0.0001125600000000, 0.0001046400000000, -0.0002265400000000 ] - [ -0.0000393800000000, 0.0000346400000000, -0.0003045800000000 ] - [ 0.0011328100000000, 0.0005420300000000, 0.0009232000000000 ] - [ 0.0001230600000000, 0.0006758100000000, -0.0000058800000000 ] - [ -0.2102355000000000, 0.0716876400000000, -0.0579997800000000 ] - [ -0.0008154300000000, -0.0000215800000000, -0.0004249200000000 ] - [ 0.0002240800000000, -0.0003238000000000, -0.0003415300000000 ] - [ -0.0004764700000000, 0.0000271200000000, -0.0006257800000000 ] - [ -0.0002321900000000, 0.0000081700000000, -0.0003064500000000 ] - [ 0.0004535100000000, 0.0006780000000000, -0.0004220600000000 ] - [ -0.0001676900000000, 0.0000182900000000, 0.0002002700000000 ] - [ 0.0010039400000000, 0.0006250500000000, 0.0002486400000000 ] - [ -0.0012781300000000, -0.0005073200000000, -0.0009278400000000 ] - [ -0.0002895000000000, 0.0003331100000000, 0.0005185200000000 ] - [ -0.0000808300000000, -0.0001030200000000, -0.0000616100000000 ] - [ 0.0000097100000000, 0.0000785000000000, -0.0001530800000000 ] - [ -0.0001686700000000, -0.0023231900000000, -0.0028289700000000 ] - [ 0.0002812600000000, -0.0004941500000000, -0.0002777600000000 ] - [ -0.0004798900000000, -0.0008024100000000, 0.0014657500000000 ] - [ 0.0002020600000000, -0.0001224400000000, -0.0001267800000000 ] - [ -0.0011937600000000, 0.0008931500000000, -0.0001443300000000 ] - [ -0.0000009000000000, -0.0000120200000000, 0.0009158300000000 ] - [ 0.0000700400000000, 0.0000420200000000, 0.0001225600000000 ] - [ 0.0000453400000000, 0.0001395400000000, 0.0001964900000000 ] - [ 0.0012793900000000, 0.0001042600000000, 0.0001234900000000 ] - [ 0.0001569900000000, -0.0002449700000000, -0.0003057900000000 ] - [ -0.0014948500000000, -0.0000320100000000, -0.0011509900000000 ] - [ -0.0000786900000000, -0.0003614500000000, -0.0013821800000000 ] - [ -0.0000770200000000, 0.0000340200000000, -0.0001569400000000 ] - [ -0.0007573100000000, -0.0004438500000000, 0.0001596600000000 ] - [ 0.0002440200000000, 0.0002100100000000, 0.0006032700000000 ] - [ 0.0001171300000000, -0.0002040800000000, -0.0000155500000000 ] - [ 0.0005048800000000, 0.0005552900000000, 0.0001176200000000 ] - [ 0.0000693800000000, -0.0000842900000000, -0.0003729800000000 ] - [ 0.0001681200000000, -0.0018233100000000, 0.0000920600000000 ] - [ -0.0003786600000000, 0.0001444300000000, 0.0003467800000000 ] - [ -0.0006441500000000, 0.0005003900000000, 0.0001769100000000 ] - [ 0.0000810900000000, -0.0000117500000000, -0.0001892100000000 ] - [ -0.0001718300000000, -0.0001796000000000, 0.0001578800000000 ] - [ 0.0480459900000000, -0.0068552100000000, 0.0073531100000000 ] - [ -0.0000477100000000, 0.0000865900000000, -0.0000709400000000 ] - [ 0.0002504300000000, 0.0000177900000000, 0.0004006500000000 ] - [ 0.0001343200000000, 0.0000246800000000, -0.0000616300000000 ] - [ 0.0013342500000000, -0.0013362000000000, 0.0002568500000000 ] - [ -0.0001524100000000, -0.0000464700000000, -0.0001954200000000 ] - [ 0.0005878100000000, -0.0014444700000000, -0.0012933600000000 ] - [ 0.0010854200000000, -0.0002697500000000, 0.0000159900000000 ] - [ 0.0000153700000000, -0.0000726600000000, -0.0000533100000000 ] - [ 0.0020992400000000, 0.0141826600000000, 0.0078958500000000 ] - [ -0.0181133800000000, 0.0080846500000000, 0.0000648000000000 ] - [ -0.0003049100000000, 0.0001462600000000, 0.0001207000000000 ] - [ 0.0001364300000000, 0.0000023500000000, 0.0003198900000000 ] - [ 0.0000181900000000, -0.0044872100000000, 0.0033836700000000 ] - [ -0.0002474400000000, 0.0000121300000000, 0.0004108300000000 ] - [ -0.0004356000000000, -0.0002937100000000, 0.0003477100000000 ] - [ -0.0001883800000000, -0.0000423200000000, -0.0001735800000000 ] - [ 0.0004665100000000, 0.0003684600000000, -0.0006250900000000 ] - [ 0.0000323800000000, 0.0001169800000000, -0.0001231200000000 ] - [ 0.0000227700000000, -0.0000162600000000, 0.0009147800000000 ] - [ 0.0004507400000000, -0.0007037200000000, -0.0004343600000000 ] - [ 0.0003797800000000, 0.0006832500000000, -0.0004185300000000 ] - [ 0.0006216600000000, 0.0000465600000000, 0.0001412800000000 ] - [ 0.0002048200000000, 0.0001902300000000, -0.0003282200000000 ] - [ -0.0007558900000000, -0.0000085100000000, -0.0004021500000000 ] - [ -0.0000136000000000, -0.0000861200000000, -0.0001624800000000 ] - [ 0.0004102400000000, -0.0007650500000000, -0.0004440300000000 ] - [ 0.0000077300000000, -0.0013513400000000, -0.0000023600000000 ] - [ -0.0004962400000000, -0.0012041800000000, 0.0006903100000000 ] - [ 0.0000324400000000, -0.0000242300000000, 0.0001014800000000 ] - [ -0.0010087300000000, -0.0006883500000000, 0.0013893900000000 ] - [ -0.0001321300000000, 0.0000462500000000, 0.0003463700000000 ] - [ -0.0009593000000000, -0.0003023800000000, 0.0003277100000000 ] - [ -0.0000151500000000, 0.0002794100000000, 0.0005691900000000 ] - [ 0.0008056200000000, -0.0004484800000000, -0.0000580000000000 ] - [ 0.0013939300000000, 0.0009364900000000, -0.0010563700000000 ] - [ 0.0000901700000000, -0.0001609100000000, -0.0007270400000000 ] - [ -0.0001589100000000, 0.0000509900000000, 0.0005421700000000 ] - [ 0.0000134200000000, -0.0000526500000000, 0.0000306300000000 ] - [ -0.0003502600000000, -0.0000485200000000, -0.0000284200000000 ] - [ 0.0001793600000000, -0.0003438100000000, 0.0003705900000000 ] - [ 0.0034161700000000, 0.0012837400000000, -0.0024146000000000 ] - [ -0.0000001200000000, -0.0000585800000000, 0.0002266800000000 ] - [ -0.0001158500000000, 0.0000928600000000, 0.0001375400000000 ] - [ 0.0000160500000000, 0.0000209300000000, 0.0000139900000000 ] - [ 0.0000039600000000, 0.0005140000000000, 0.0000510700000000 ] - [ 0.0000043500000000, 0.0000354300000000, 0.0000315400000000 ] - [ -0.0000521200000000, -0.0000114300000000, -0.0002311800000000 ] - [ -0.0000202900000000, 0.0000037900000000, 0.0000366000000000 ] - [ -0.0000258300000000, 0.0000459700000000, 0.0000129400000000 ] - [ 0.0000897600000000, 0.0000221800000000, -0.0002180100000000 ] - [ 0.0010822600000000, -0.0022153400000000, 0.0012700900000000 ] - [ -0.0000447800000000, 0.0000077900000000, -0.0004679500000000 ] - [ 0.0039239400000000, 0.0011654900000000, 0.0018149600000000 ] - [ 0.0000937500000000, 0.0001758000000000, -0.0003695200000000 ] - [ 0.0009181600000000, -0.0019319000000000, -0.0009255300000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000180200000000, 0.0002644300000000, 0.0004139900000000 ] - [ -0.0001048300000000, 0.0003597300000000, -0.0004852200000000 ] - [ 0.0011182700000000, -0.0005441600000000, 0.0005057200000000 ] - [ -0.0000335000000000, -0.0001198800000000, -0.0000713800000000 ] - [ -0.0014158100000000, 0.0030611900000000, -0.0008829500000000 ] - [ -0.0003965700000000, -0.0000146200000000, -0.0004007400000000 ] - [ 0.0002375200000000, -0.0003258600000000, -0.0003614100000000 ] - [ -0.0014158100000000, -0.0030611900000000, -0.0008829500000000 ] - [ -0.0000669800000000, 0.0001899900000000, 0.0008202100000000 ] - [ 0.0001450600000000, 0.0003788000000000, -0.0004112500000000 ] - [ -0.0000335000000000, 0.0001198800000000, -0.0000713800000000 ] - [ 0.0002114200000000, 0.0000650300000000, 0.0000825100000000 ] - [ -0.0001447500000000, -0.0002540500000000, -0.0006236200000000 ] - [ -0.0002021700000000, 0.0003044700000000, 0.0009794300000000 ] - [ 0.0000222800000000, -0.0001897000000000, 0.0001301000000000 ] - [ -0.0001048300000000, -0.0003597300000000, -0.0004852200000000 ] - [ 0.0005546900000000, 0.0000000000000000, -0.0003135500000000 ] - [ -0.0000161100000000, 0.0001770800000000, -0.0002319600000000 ] - [ -0.0000517600000000, 0.0001390600000000, -0.0003743800000000 ] - [ -0.0001447500000000, 0.0002540500000000, -0.0006236200000000 ] - [ 0.0002375200000000, 0.0003258600000000, -0.0003614100000000 ] - [ 0.0001776500000000, 0.0000220100000000, -0.0003283700000000 ] - [ 0.0000180200000000, -0.0002644300000000, 0.0004139900000000 ] - [ -0.0014570500000000, 0.0000000000000000, 0.0005060800000000 ] - [ 0.0001299900000000, 0.0000000000000000, -0.0000877300000000 ] - [ -0.0001490300000000, -0.0002417100000000, -0.0006192500000000 ] - [ 0.0000256500000000, -0.0000344200000000, -0.0006743900000000 ] - [ -0.0012919000000000, 0.0011884300000000, 0.0032935200000000 ] - [ 0.0002161000000000, -0.0000646000000000, 0.0004403300000000 ] - [ -0.0002021700000000, -0.0003044700000000, 0.0009794300000000 ] - [ 0.0003612300000000, 0.0000000000000000, -0.0002485200000000 ] - [ 0.0032776700000000, 0.0000000000000000, -0.0033167600000000 ] - [ 0.0002237000000000, 0.0000084300000000, 0.0014026000000000 ] - [ 0.0002237000000000, -0.0000084300000000, 0.0014026000000000 ] - [ 0.0000222800000000, 0.0001897000000000, 0.0001301000000000 ] - [ -0.0000809400000000, 0.0000689400000000, -0.0002068500000000 ] - [ -0.0001800200000000, 0.0002994600000000, -0.0002077800000000 ] - [ 0.0002114200000000, -0.0000650300000000, 0.0000825100000000 ] - [ -0.0001800200000000, -0.0002994600000000, -0.0002077800000000 ] - [ -0.0000669800000000, -0.0001899900000000, 0.0008202100000000 ] - [ 0.0002879800000000, 0.0000127000000000, -0.0006234800000000 ] - [ -0.0000161100000000, -0.0001770800000000, -0.0002319600000000 ] - [ 0.0000256500000000, 0.0000344200000000, -0.0006743900000000 ] - [ -0.0003965700000000, 0.0000146200000000, -0.0004007400000000 ] - [ -0.0000517600000000, -0.0001390600000000, -0.0003743800000000 ] - [ 0.0002161000000000, 0.0000646000000000, 0.0004403300000000 ] - [ -0.0001490300000000, 0.0002417100000000, -0.0006192500000000 ] - [ -0.0001030200000000, -0.0001251800000000, -0.0003108200000000 ] - [ -0.0001030200000000, 0.0001251800000000, -0.0003108200000000 ] - [ -0.0000341300000000, 0.0000000000000000, -0.0006713800000000 ] - [ -0.0012919000000000, -0.0011884300000000, 0.0032935200000000 ] - [ -0.0009398400000000, 0.0003967400000000, 0.0001731800000000 ] - [ -0.0000809400000000, -0.0000689400000000, -0.0002068500000000 ] - [ -0.0001379600000000, -0.0000486700000000, 0.0001389800000000 ] - [ 0.0011182700000000, 0.0005441600000000, 0.0005057200000000 ] - [ 0.0001776500000000, -0.0000220100000000, -0.0003283700000000 ] - [ 0.0001450600000000, -0.0003788000000000, -0.0004112500000000 ] - [ -0.0009398400000000, -0.0003967400000000, 0.0001731800000000 ] - [ -0.0000875600000000, -0.0001626600000000, -0.0000655500000000 ] - [ -0.0000875600000000, 0.0001626600000000, -0.0000655500000000 ] - [ 0.0002879800000000, -0.0000127000000000, -0.0006234800000000 ] - [ -0.0001379600000000, 0.0000486700000000, 0.0001389800000000 ] - [ -0.0002692200000000, 0.0000000000000000, 0.0010943100000000 ] - [ 0.0014662400000000, 0.0039300700000000, -0.0007825000000000 ] - [ 0.0001680500000000, -0.0000430100000000, -0.0004827600000000 ] - [ 0.0000035200000000, 0.0000417300000000, -0.0001544300000000 ] - [ -0.0000360700000000, -0.0000007100000000, -0.0014492100000000 ] - [ 0.0000558300000000, 0.0000762400000000, -0.0011144600000000 ] - [ -0.0000360700000000, 0.0000007100000000, -0.0014492100000000 ] - [ 0.0885081000000000, 0.0000000000000000, 0.1176388400000000 ] - [ 0.0001680500000000, 0.0000000000000000, -0.0032018100000000 ] - [ 0.0006665900000000, 0.0021809000000000, 0.0013655100000000 ] - [ -0.0020986800000000, 0.0000000000000000, 0.0011896500000000 ] - [ -0.0001151100000000, 0.0000000000000000, -0.0011882500000000 ] - [ 0.0000035200000000, -0.0000417300000000, -0.0001544300000000 ] - [ 0.0006665900000000, -0.0021809000000000, 0.0013655100000000 ] - [ -0.0003967200000000, 0.0000000000000000, 0.0008828000000000 ] - [ 0.0014662400000000, -0.0039300700000000, -0.0007825000000000 ] - [ 0.0000558300000000, -0.0000762400000000, -0.0011144600000000 ] - [ -0.0003259600000000, 0.0000000000000000, -0.0016479600000000 ] - [ -0.0002726300000000, 0.0001812200000000, 0.0013951600000000 ] - [ -0.0002726300000000, -0.0001812200000000, 0.0013951600000000 ] - [ 0.0000602200000000, 0.0000000000000000, -0.0013579700000000 ] - [ 0.0001680500000000, 0.0000430100000000, -0.0004827600000000 ] - [ 0.0000889700000000, 0.0000056900000000, -0.0000457800000000 ] - [ 0.0000889700000000, -0.0000056900000000, -0.0000457800000000 ] - [ -0.0011874900000000, 0.0000000000000000, 0.0018939800000000 ] - [ 0.0001520500000000, -0.0002913400000000, 0.0007002500000000 ] - [ 0.0000828000000000, 0.0000745800000000, 0.0005277900000000 ] - [ 0.0006934300000000, 0.0000000000000000, 0.0000472700000000 ] - [ 0.0001293900000000, -0.0000230200000000, -0.0005348700000000 ] - [ 0.0000840800000000, 0.0001394400000000, -0.0001703700000000 ] - [ 0.0000544600000000, 0.0000935000000000, 0.0002810900000000 ] - [ -0.0000836300000000, 0.0000000000000000, 0.0003086800000000 ] - [ -0.0000198100000000, -0.0000262600000000, 0.0001676400000000 ] - [ -0.0000264600000000, 0.0000000000000000, 0.0008277900000000 ] - [ 0.0004816200000000, 0.0000000000000000, -0.0008015500000000 ] - [ -0.0001402500000000, 0.0000470600000000, -0.0002194900000000 ] - [ -0.1170220900000000, 0.0000000000000000, -0.1141748500000000 ] - [ -0.0006943600000000, -0.0000087800000000, -0.0001365000000000 ] - [ 0.0000840800000000, -0.0001394400000000, -0.0001703700000000 ] - [ -0.0002985100000000, 0.0005883300000000, 0.0006523200000000 ] - [ -0.0001844100000000, -0.0000134600000000, -0.0001670000000000 ] - [ 0.0003953200000000, 0.0006124200000000, -0.0001514500000000 ] - [ -0.0003713300000000, 0.0000000000000000, 0.0006945900000000 ] - [ 0.0011904100000000, 0.0002727500000000, -0.0003730800000000 ] - [ -0.0002996000000000, 0.0010468400000000, 0.0000883700000000 ] - [ -0.0001187100000000, 0.0000817700000000, 0.0011996500000000 ] - [ -0.0000542000000000, -0.0000895200000000, 0.0005162800000000 ] - [ -0.0000096200000000, -0.0000354100000000, 0.0001508600000000 ] - [ -0.0002506900000000, 0.0006010900000000, -0.0011436500000000 ] - [ 0.0000461200000000, -0.0001116600000000, 0.0001061300000000 ] - [ -0.0002985100000000, -0.0005883300000000, 0.0006523200000000 ] - [ -0.0000024300000000, 0.0000258600000000, 0.0000565300000000 ] - [ 0.0003482700000000, 0.0037127700000000, 0.0016660200000000 ] - [ 0.0000052400000000, -0.0000020300000000, 0.0014652200000000 ] - [ 0.0002649200000000, 0.0000000000000000, 0.0003970000000000 ] - [ 0.0001520500000000, 0.0002913400000000, 0.0007002500000000 ] - [ 0.0004544500000000, 0.0000000000000000, -0.0003312800000000 ] - [ 0.0000966800000000, -0.0001794600000000, -0.0001669800000000 ] - [ -0.0007572800000000, 0.0007887600000000, -0.0004544000000000 ] - [ -0.0001145100000000, 0.0014881300000000, -0.0003524700000000 ] - [ 0.0000249700000000, -0.0000088400000000, 0.0001472900000000 ] - [ 0.0000074700000000, 0.0012202600000000, -0.0001613100000000 ] - [ 0.0005164300000000, 0.0000000000000000, 0.0009732000000000 ] - [ 0.0000544600000000, -0.0000935000000000, 0.0002810900000000 ] - [ 0.0000485300000000, -0.0001249300000000, -0.0005593300000000 ] - [ -0.0001844100000000, 0.0000134600000000, -0.0001670000000000 ] - [ 0.0000074700000000, -0.0012202600000000, -0.0001613100000000 ] - [ -0.0002581700000000, 0.0000492100000000, 0.0005407800000000 ] - [ -0.0001145100000000, -0.0014881300000000, -0.0003524700000000 ] - [ -0.0000198100000000, 0.0000262600000000, 0.0001676400000000 ] - [ -0.0002581700000000, -0.0000492100000000, 0.0005407800000000 ] - [ -0.0071390200000000, 0.0040682600000000, -0.0163531100000000 ] - [ -0.0000542000000000, 0.0000895200000000, 0.0005162800000000 ] - [ 0.0001293900000000, 0.0000230200000000, -0.0005348700000000 ] - [ 0.0001138100000000, 0.0000000000000000, 0.0005709300000000 ] - [ 0.0000485300000000, 0.0001249300000000, -0.0005593300000000 ] - [ 0.0000249700000000, 0.0000088400000000, 0.0001472900000000 ] - [ -0.0001974900000000, 0.0004828100000000, -0.0004297200000000 ] - [ 0.0004420400000000, -0.0000099200000000, -0.0004429800000000 ] - [ -0.0000024300000000, -0.0000258600000000, 0.0000565300000000 ] - [ 0.0427132100000000, 0.0000000000000000, 0.0239525300000000 ] - [ -0.0071390200000000, -0.0040682600000000, -0.0163531100000000 ] - [ 0.0001086200000000, 0.0000000000000000, 0.0010726400000000 ] - [ 0.0000828000000000, -0.0000745800000000, 0.0005277900000000 ] - [ 0.0003482700000000, -0.0037127700000000, 0.0016660200000000 ] - [ -0.0001187100000000, -0.0000817700000000, 0.0011996500000000 ] - [ -0.0001974900000000, -0.0004828100000000, -0.0004297200000000 ] - [ -0.0001457400000000, -0.0001056400000000, 0.0000710400000000 ] - [ 0.0000767700000000, 0.0000000000000000, -0.0003670000000000 ] - [ 0.0000461200000000, 0.0001116600000000, 0.0001061300000000 ] - [ 0.0000052400000000, 0.0000020300000000, 0.0014652200000000 ] - [ 0.0003953200000000, -0.0006124200000000, -0.0001514500000000 ] - [ 0.0003466500000000, 0.0006335500000000, -0.0001512800000000 ] - [ 0.0011904100000000, -0.0002727500000000, -0.0003730800000000 ] - [ 0.0000966800000000, 0.0001794600000000, -0.0001669800000000 ] - [ -0.0006943600000000, 0.0000087800000000, -0.0001365000000000 ] - [ -0.0000096200000000, 0.0000354100000000, 0.0001508600000000 ] - [ 0.0003466500000000, -0.0006335500000000, -0.0001512800000000 ] - [ -0.0001176000000000, -0.0002937900000000, -0.0004324500000000 ] - [ -0.0002996000000000, -0.0010468400000000, 0.0000883700000000 ] - [ -0.0001176000000000, 0.0002937900000000, -0.0004324500000000 ] - [ -0.0002506900000000, -0.0006010900000000, -0.0011436500000000 ] - [ -0.0000225200000000, 0.0000000000000000, 0.0014591000000000 ] - [ -0.0007572800000000, -0.0007887600000000, -0.0004544000000000 ] - [ 0.0000211200000000, 0.0000795500000000, 0.0007953200000000 ] - [ 0.0004420400000000, 0.0000099200000000, -0.0004429800000000 ] - [ -0.0001402500000000, -0.0000470600000000, -0.0002194900000000 ] - [ -0.0001457400000000, 0.0001056400000000, 0.0000710400000000 ] - [ 0.0000211200000000, -0.0000795500000000, 0.0007953200000000 ] - [ 0.0000176400000000, -0.0000414300000000, 0.0003316100000000 ] - [ -0.0001378100000000, 0.0000691800000000, -0.0004513800000000 ] - [ 0.0001388600000000, -0.0002806100000000, 0.0002459800000000 ] - [ -0.0030338500000000, 0.0000000000000000, -0.0004602200000000 ] - [ 0.0000234100000000, -0.0001017500000000, 0.0004141900000000 ] - [ 0.0001388600000000, 0.0002806100000000, 0.0002459800000000 ] - [ -0.0000579600000000, 0.0000000000000000, 0.0003052500000000 ] - [ 0.0002884100000000, 0.0005329500000000, -0.0005639100000000 ] - [ 0.0000176400000000, 0.0000414300000000, 0.0003316100000000 ] - [ -0.0000713200000000, -0.0001370200000000, -0.0000068900000000 ] - [ -0.0000390500000000, 0.0000000000000000, 0.0003196000000000 ] - [ 0.0000234100000000, 0.0001017500000000, 0.0004141900000000 ] - [ 0.0001592300000000, 0.0000000000000000, 0.0000070600000000 ] - [ 0.0002884100000000, -0.0005329500000000, -0.0005639100000000 ] - [ -0.0000713200000000, 0.0001370200000000, -0.0000068900000000 ] - [ 0.0035176000000000, 0.0000000000000000, -0.0002117200000000 ] - [ -0.0003263000000000, 0.0000000000000000, 0.0003704300000000 ] - [ -0.0001378100000000, -0.0000691800000000, -0.0004513800000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000369100000000, 0.0001576800000000, 0.0000132400000000 ] - [ -0.0000131300000000, -0.0001371100000000, 0.0008249500000000 ] - [ -0.0011620900000000, 0.0006480000000000, -0.0002128900000000 ] - [ 0.0000469100000000, -0.0001654000000000, 0.0003244300000000 ] - [ 0.0011671100000000, -0.0026272300000000, 0.0004307600000000 ] - [ 0.0001765100000000, -0.0003753700000000, 0.0003897600000000 ] - [ 0.0002159700000000, 0.0003338400000000, 0.0003481000000000 ] - [ 0.0011671100000000, 0.0026272300000000, 0.0004307600000000 ] - [ -0.0000659800000000, 0.0000530800000000, -0.0007044900000000 ] - [ -0.0003743900000000, 0.0000065200000000, 0.0004006200000000 ] - [ 0.0000469100000000, 0.0001654000000000, 0.0003244300000000 ] - [ -0.0003448900000000, -0.0004962800000000, -0.0003360000000000 ] - [ -0.0000537800000000, -0.0001659600000000, 0.0000337300000000 ] - [ 0.0001994300000000, -0.0004516300000000, -0.0004807300000000 ] - [ 0.0004065400000000, 0.0000837400000000, -0.0003902200000000 ] - [ -0.0000131300000000, 0.0001371100000000, 0.0008249500000000 ] - [ -0.0002924200000000, 0.0000000000000000, 0.0006537100000000 ] - [ 0.0002563100000000, -0.0000062100000000, 0.0004807900000000 ] - [ 0.0000209900000000, 0.0001566400000000, 0.0004855900000000 ] - [ -0.0000537800000000, 0.0001659600000000, 0.0000337300000000 ] - [ 0.0002159700000000, -0.0003338400000000, 0.0003481000000000 ] - [ 0.0000895700000000, 0.0000947700000000, 0.0004443800000000 ] - [ 0.0000369100000000, -0.0001576800000000, 0.0000132400000000 ] - [ 0.0016641900000000, 0.0000000000000000, 0.0000156200000000 ] - [ 0.0001482100000000, 0.0000000000000000, 0.0006721500000000 ] - [ -0.0001219300000000, -0.0001311400000000, 0.0000302200000000 ] - [ -0.0001359400000000, 0.0002338900000000, 0.0003384000000000 ] - [ 0.0011112400000000, -0.0012065400000000, -0.0027627000000000 ] - [ 0.0001179900000000, 0.0003137400000000, -0.0000123900000000 ] - [ 0.0001994300000000, 0.0004516300000000, -0.0004807300000000 ] - [ 0.0003863000000000, 0.0000000000000000, 0.0002879400000000 ] - [ -0.0027809200000000, 0.0000000000000000, 0.0028754500000000 ] - [ -0.0000835600000000, 0.0000717900000000, -0.0009014300000000 ] - [ -0.0000835600000000, -0.0000717900000000, -0.0009014300000000 ] - [ 0.0004065400000000, -0.0000837400000000, -0.0003902200000000 ] - [ -0.0001808000000000, -0.0001869400000000, 0.0004589000000000 ] - [ -0.0002007200000000, 0.0003481400000000, 0.0002455400000000 ] - [ -0.0003448900000000, 0.0004962800000000, -0.0003360000000000 ] - [ -0.0002007200000000, -0.0003481400000000, 0.0002455400000000 ] - [ -0.0000659800000000, -0.0000530800000000, -0.0007044900000000 ] - [ 0.0001795400000000, 0.0000431000000000, 0.0000337800000000 ] - [ 0.0002563100000000, 0.0000062100000000, 0.0004807900000000 ] - [ -0.0001359400000000, -0.0002338900000000, 0.0003384000000000 ] - [ 0.0001765100000000, 0.0003753700000000, 0.0003897600000000 ] - [ 0.0000209900000000, -0.0001566400000000, 0.0004855900000000 ] - [ 0.0001179900000000, -0.0003137400000000, -0.0000123900000000 ] - [ -0.0001219300000000, 0.0001311400000000, 0.0000302200000000 ] - [ -0.0001348200000000, -0.0000504500000000, 0.0004216400000000 ] - [ -0.0001348200000000, 0.0000504500000000, 0.0004216400000000 ] - [ 0.0002676200000000, 0.0000000000000000, 0.0003390400000000 ] - [ 0.0011112400000000, 0.0012065400000000, -0.0027627000000000 ] - [ 0.0005392600000000, -0.0002271900000000, 0.0002498000000000 ] - [ -0.0001808000000000, 0.0001869400000000, 0.0004589000000000 ] - [ -0.0001683800000000, 0.0003733300000000, -0.0003945900000000 ] - [ -0.0011620900000000, -0.0006480000000000, -0.0002128900000000 ] - [ 0.0000895700000000, -0.0000947700000000, 0.0004443800000000 ] - [ -0.0003743900000000, -0.0000065200000000, 0.0004006200000000 ] - [ 0.0005392600000000, 0.0002271900000000, 0.0002498000000000 ] - [ -0.0000486100000000, -0.0000810400000000, 0.0006494800000000 ] - [ -0.0000486100000000, 0.0000810400000000, 0.0006494800000000 ] - [ 0.0001795400000000, -0.0000431000000000, 0.0000337800000000 ] - [ -0.0001683800000000, -0.0003733300000000, -0.0003945900000000 ] - [ 0.0005418100000000, 0.0000000000000000, -0.0009815100000000 ] - [ -0.0013932200000000, -0.0039888900000000, 0.0013711100000000 ] - [ -0.0002338000000000, 0.0001576300000000, 0.0007247100000000 ] - [ -0.0000049400000000, -0.0000463900000000, 0.0003138800000000 ] - [ 0.0000353800000000, 0.0000002600000000, 0.0004609200000000 ] - [ 0.0002260200000000, 0.0004129400000000, 0.0010099200000000 ] - [ 0.0000353800000000, -0.0000002600000000, 0.0004609200000000 ] - [ -0.0899032000000000, 0.0000000000000000, -0.1162195100000000 ] - [ -0.0001704700000000, 0.0000000000000000, 0.0025295100000000 ] - [ -0.0004303400000000, -0.0017815300000000, -0.0018457400000000 ] - [ 0.0016373500000000, 0.0000000000000000, -0.0016875700000000 ] - [ -0.0004519300000000, 0.0000000000000000, 0.0010837700000000 ] - [ -0.0000049400000000, 0.0000463900000000, 0.0003138800000000 ] - [ -0.0004303400000000, 0.0017815300000000, -0.0018457400000000 ] - [ 0.0002731200000000, 0.0000000000000000, -0.0002767900000000 ] - [ -0.0013932200000000, 0.0039888900000000, 0.0013711100000000 ] - [ 0.0002260200000000, -0.0004129400000000, 0.0010099200000000 ] - [ 0.0004543100000000, 0.0000000000000000, 0.0018745500000000 ] - [ 0.0002655700000000, -0.0001834600000000, -0.0019834000000000 ] - [ 0.0002655700000000, 0.0001834600000000, -0.0019834000000000 ] - [ -0.0000588000000000, 0.0000000000000000, 0.0020555000000000 ] - [ -0.0002338000000000, -0.0001576300000000, 0.0007247100000000 ] - [ -0.0000899400000000, -0.0000059700000000, -0.0001947900000000 ] - [ -0.0000899400000000, 0.0000059700000000, -0.0001947900000000 ] - [ 0.0011738200000000, 0.0000000000000000, -0.0015481600000000 ] - [ -0.0000330300000000, 0.0000863800000000, -0.0004442200000000 ] - [ 0.0003437500000000, 0.0001101300000000, 0.0000191700000000 ] - [ -0.0000538800000000, 0.0000000000000000, 0.0003775100000000 ] - [ -0.0001276600000000, 0.0000219600000000, 0.0015979900000000 ] - [ 0.0001149600000000, 0.0001347500000000, -0.0004778900000000 ] - [ 0.0001022400000000, 0.0001700600000000, -0.0003719800000000 ] - [ -0.0002178400000000, 0.0000000000000000, -0.0003990400000000 ] - [ 0.0002884500000000, 0.0001690300000000, -0.0006646200000000 ] - [ 0.0000245000000000, 0.0000000000000000, -0.0016475500000000 ] - [ -0.0003908900000000, 0.0000000000000000, 0.0012724900000000 ] - [ -0.0003518600000000, 0.0003340900000000, 0.0005849400000000 ] - [ 0.1199402100000000, 0.0000000000000000, 0.1147653000000000 ] - [ -0.0009689500000000, -0.0000382400000000, -0.0008334600000000 ] - [ 0.0001149600000000, -0.0001347500000000, -0.0004778900000000 ] - [ 0.0002014900000000, -0.0007362600000000, -0.0008539100000000 ] - [ -0.0001489100000000, 0.0000496400000000, -0.0004799300000000 ] - [ 0.0004740700000000, 0.0008027700000000, -0.0008190800000000 ] - [ 0.0001334500000000, 0.0000000000000000, -0.0004382100000000 ] - [ -0.0009254300000000, 0.0001757600000000, 0.0001314000000000 ] - [ 0.0008678900000000, -0.0008007800000000, 0.0002830100000000 ] - [ -0.0000052100000000, 0.0001344400000000, -0.0011966100000000 ] - [ -0.0000780100000000, -0.0001466500000000, -0.0008908900000000 ] - [ 0.0000032900000000, 0.0003386200000000, -0.0006467200000000 ] - [ 0.0002018800000000, -0.0005261200000000, 0.0016048500000000 ] - [ 0.0001838100000000, -0.0002831200000000, -0.0004452600000000 ] - [ 0.0002014900000000, 0.0007362600000000, -0.0008539100000000 ] - [ 0.0000044800000000, -0.0000264000000000, -0.0000848200000000 ] - [ -0.0004183900000000, -0.0030631400000000, -0.0012760700000000 ] - [ -0.0000075900000000, 0.0000022900000000, 0.0001681500000000 ] - [ -0.0007161200000000, 0.0000000000000000, -0.0007318500000000 ] - [ -0.0000330300000000, -0.0000863800000000, -0.0004442200000000 ] - [ -0.0006663200000000, 0.0000000000000000, 0.0000007900000000 ] - [ 0.0000395900000000, -0.0001245400000000, -0.0004795800000000 ] - [ 0.0002224200000000, -0.0007793900000000, 0.0002088900000000 ] - [ 0.0003679100000000, -0.0010247700000000, 0.0001060900000000 ] - [ -0.0002817900000000, 0.0001701500000000, -0.0006442100000000 ] - [ -0.0003246200000000, -0.0017514600000000, 0.0005841200000000 ] - [ -0.0003807900000000, 0.0000000000000000, -0.0014697200000000 ] - [ 0.0001022400000000, -0.0001700600000000, -0.0003719800000000 ] - [ -0.0001290200000000, -0.0000249200000000, 0.0008715000000000 ] - [ -0.0001489100000000, -0.0000496400000000, -0.0004799300000000 ] - [ -0.0003246200000000, 0.0017514600000000, 0.0005841200000000 ] - [ -0.0001100200000000, 0.0002237400000000, 0.0000052800000000 ] - [ 0.0003679100000000, 0.0010247700000000, 0.0001060900000000 ] - [ 0.0002884500000000, -0.0001690300000000, -0.0006646200000000 ] - [ -0.0001100200000000, -0.0002237400000000, 0.0000052800000000 ] - [ 0.0068044600000000, -0.0031316200000000, 0.0172143900000000 ] - [ -0.0000780100000000, 0.0001466500000000, -0.0008908900000000 ] - [ -0.0001276600000000, -0.0000219600000000, 0.0015979900000000 ] - [ 0.0001605700000000, 0.0000000000000000, -0.0009437100000000 ] - [ -0.0001290200000000, 0.0000249200000000, 0.0008715000000000 ] - [ -0.0002817900000000, -0.0001701500000000, -0.0006442100000000 ] - [ 0.0002993600000000, -0.0006691200000000, 0.0000965400000000 ] - [ -0.0002642000000000, 0.0000133000000000, 0.0007557900000000 ] - [ 0.0000044800000000, 0.0000264000000000, -0.0000848200000000 ] - [ -0.0436542600000000, 0.0000000000000000, -0.0256299200000000 ] - [ 0.0068044600000000, 0.0031316200000000, 0.0172143900000000 ] - [ 0.0001418400000000, 0.0000000000000000, -0.0010672900000000 ] - [ 0.0003437500000000, -0.0001101300000000, 0.0000191700000000 ] - [ -0.0004183900000000, 0.0030631400000000, -0.0012760700000000 ] - [ -0.0000052100000000, -0.0001344400000000, -0.0011966100000000 ] - [ 0.0002993600000000, 0.0006691200000000, 0.0000965400000000 ] - [ 0.0000843800000000, -0.0000049400000000, -0.0005781000000000 ] - [ 0.0001007800000000, 0.0000000000000000, 0.0001518600000000 ] - [ 0.0001838100000000, 0.0002831200000000, -0.0004452600000000 ] - [ -0.0000075900000000, -0.0000022900000000, 0.0001681500000000 ] - [ 0.0004740700000000, -0.0008027700000000, -0.0008190800000000 ] - [ 0.0004407700000000, 0.0008310200000000, -0.0008190400000000 ] - [ -0.0009254300000000, -0.0001757600000000, 0.0001314000000000 ] - [ 0.0000395900000000, 0.0001245400000000, -0.0004795800000000 ] - [ -0.0009689500000000, 0.0000382400000000, -0.0008334600000000 ] - [ 0.0000032900000000, -0.0003386200000000, -0.0006467200000000 ] - [ 0.0004407700000000, -0.0008310200000000, -0.0008190400000000 ] - [ 0.0000305800000000, 0.0001486500000000, 0.0007473200000000 ] - [ 0.0008678900000000, 0.0008007800000000, 0.0002830100000000 ] - [ 0.0000305800000000, -0.0001486500000000, 0.0007473200000000 ] - [ 0.0002018800000000, 0.0005261200000000, 0.0016048500000000 ] - [ 0.0000197900000000, 0.0000000000000000, -0.0015423500000000 ] - [ 0.0002224200000000, 0.0007793900000000, 0.0002088900000000 ] - [ -0.0000769200000000, 0.0003720900000000, -0.0002463800000000 ] - [ -0.0002642000000000, -0.0000133000000000, 0.0007557900000000 ] - [ -0.0003518600000000, -0.0003340900000000, 0.0005849400000000 ] - [ 0.0000843800000000, 0.0000049400000000, -0.0005781000000000 ] - [ -0.0000769200000000, -0.0003720900000000, -0.0002463800000000 ] - [ 0.0000249800000000, -0.0000388200000000, -0.0003820700000000 ] - [ 0.0000251400000000, -0.0002608600000000, 0.0006417700000000 ] - [ -0.0001423200000000, 0.0002752500000000, -0.0000861600000000 ] - [ 0.0025882400000000, 0.0000000000000000, 0.0007938900000000 ] - [ 0.0000034800000000, 0.0000536500000000, -0.0003830200000000 ] - [ -0.0001423200000000, -0.0002752500000000, -0.0000861600000000 ] - [ 0.0000026700000000, 0.0000000000000000, -0.0002748900000000 ] - [ -0.0000504500000000, -0.0001238300000000, 0.0009099700000000 ] - [ 0.0000249800000000, 0.0000388200000000, -0.0003820700000000 ] - [ 0.0000869700000000, 0.0001572700000000, -0.0006990500000000 ] - [ -0.0000568200000000, 0.0000000000000000, -0.0003672700000000 ] - [ 0.0000034800000000, -0.0000536500000000, -0.0003830200000000 ] - [ -0.0001746100000000, 0.0000000000000000, -0.0007154200000000 ] - [ -0.0000504500000000, 0.0001238300000000, 0.0009099700000000 ] - [ 0.0000869700000000, -0.0001572700000000, -0.0006990500000000 ] - [ -0.0032474700000000, 0.0000000000000000, 0.0004171100000000 ] - [ 0.0003140500000000, 0.0000000000000000, -0.0002121800000000 ] - [ 0.0000251400000000, 0.0002608600000000, 0.0006417700000000 ]- atom: 100 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002851800000000, 0.0001495200000000, -0.0000002400000000 ] - [ 0.0000459100000000, -0.0004014500000000, 0.0004196900000000 ] - [ -0.0002530200000000, 0.0001128300000000, 0.0001938900000000 ] - [ 0.0001416200000000, 0.0004094400000000, 0.0003998600000000 ] - [ -0.0002114700000000, 0.0002562500000000, -0.0003351900000000 ] - [ -0.0003468800000000, -0.0000165500000000, -0.0004512200000000 ] - [ 0.0004361600000000, -0.0002370100000000, -0.0001214200000000 ] - [ -0.0001303000000000, -0.0002422500000000, -0.0003015900000000 ] - [ -0.0000922200000000, 0.0001180700000000, -0.0000217900000000 ] - [ 0.0001200100000000, 0.0001947100000000, 0.0002720700000000 ] - [ 0.0005314000000000, 0.0012382200000000, 0.0031422200000000 ] - [ 0.0000449000000000, -0.0001265700000000, -0.0003004500000000 ] - [ 0.0000609300000000, 0.0004116500000000, -0.0004414900000000 ] - [ -0.0000119600000000, -0.0000765900000000, 0.0001696200000000 ] - [ 0.0002237400000000, -0.0000203100000000, -0.0002021900000000 ] - [ -0.0013782100000000, -0.0008394200000000, -0.0007551600000000 ] - [ -0.0003897500000000, 0.0005450900000000, 0.0005168800000000 ] - [ -0.0003945800000000, -0.0004918900000000, 0.0004879100000000 ] - [ 0.0030947400000000, 0.0009482400000000, -0.0001592500000000 ] - [ -0.0004951100000000, 0.0025153800000000, -0.0027839700000000 ] - [ -0.0001569100000000, 0.0000082200000000, -0.0000506800000000 ] - [ -0.0027810500000000, 0.0000829400000000, 0.0002570400000000 ] - [ -0.0002056300000000, -0.0002792000000000, 0.0002612800000000 ] - [ -0.0000439900000000, -0.0001593400000000, -0.0001106500000000 ] - [ 0.0023442700000000, 0.0029357900000000, 0.0006364500000000 ] - [ -0.0005141100000000, -0.0024929600000000, -0.0027712000000000 ] - [ 0.0000870100000000, -0.0005359600000000, -0.0002831600000000 ] - [ -0.0000988300000000, -0.0000777900000000, 0.0001411200000000 ] - [ 0.0000527100000000, 0.0002955600000000, -0.0000226900000000 ] - [ -0.0000090100000000, 0.0001338900000000, 0.0001392400000000 ] - [ 0.0005562900000000, 0.0002575300000000, -0.0001120200000000 ] - [ 0.0002747100000000, -0.0000316700000000, -0.0002871900000000 ] - [ 0.0001215000000000, 0.0000355400000000, 0.0001335000000000 ] - [ -0.0000260900000000, -0.0000568600000000, 0.0000922400000000 ] - [ 0.0001327100000000, 0.0000525200000000, -0.0003733700000000 ] - [ 0.0003999600000000, -0.0011319200000000, 0.0031070700000000 ] - [ -0.0003988900000000, 0.0001096500000000, -0.0004063200000000 ] - [ -0.0000611400000000, 0.0002247500000000, -0.0002180400000000 ] - [ 0.0000305000000000, -0.0003174300000000, 0.0002997400000000 ] - [ -0.0000274600000000, -0.0000836600000000, -0.0001336500000000 ] - [ -0.0003825500000000, -0.0005103100000000, -0.0005041100000000 ] - [ 0.0008970800000000, -0.0000773600000000, -0.0045335000000000 ] - [ -0.0011682800000000, -0.0008730200000000, 0.0009237400000000 ] - [ -0.0001576600000000, 0.0003801700000000, 0.0000055900000000 ] - [ -0.0004498700000000, -0.0012726300000000, 0.0002751800000000 ] - [ 0.0003030300000000, -0.0001254100000000, 0.0003277500000000 ] - [ -0.0011897200000000, 0.0008870400000000, 0.0008140100000000 ] - [ -0.0041791200000000, 0.0017436100000000, 0.0001591200000000 ] - [ -0.0005427900000000, 0.0011891100000000, 0.0002571000000000 ] - [ -0.0005001100000000, 0.0005342100000000, -0.0003357800000000 ] - [ -0.0000445400000000, -0.0000020000000000, 0.0000527900000000 ] - [ -0.0001343900000000, -0.0000104700000000, 0.0000198000000000 ] - [ -0.0015233300000000, 0.0008348800000000, -0.0008111000000000 ] - [ -0.0000389500000000, 0.0000679800000000, -0.0003058100000000 ] - [ 0.0000178000000000, 0.0000262200000000, -0.0000545000000000 ] - [ 0.0023170800000000, -0.0029789600000000, 0.0002845500000000 ] - [ -0.0001686800000000, -0.0003647000000000, 0.0000124100000000 ] - [ 0.0000613800000000, -0.0000178700000000, -0.0000078300000000 ] - [ 0.0028124100000000, -0.0006607100000000, -0.0000446300000000 ] - [ -0.0040569900000000, -0.0017221300000000, 0.0005755300000000 ] - [ 0.0030835000000000, -0.0000060300000000, 0.0044723100000000 ] - [ -0.0002382100000000, -0.0001955300000000, -0.0002457000000000 ] - [ 0.0001932800000000, 0.0000211800000000, -0.0000558500000000 ] - [ 0.0001456000000000, -0.0003317000000000, 0.0006995400000000 ] - [ -0.0043861000000000, -0.0000025600000000, 0.0018814800000000 ] - [ 0.0014167300000000, 0.0000259300000000, -0.0016129200000000 ] - [ -0.0024348400000000, 0.0028806700000000, 0.0002042300000000 ] - [ 0.0028841000000000, 0.0022812700000000, 0.0028717100000000 ] - [ 0.3475679800000000, 0.0038214700000000, 0.0914216400000000 ] - [ -0.0000906300000000, -0.0000173900000000, 0.0001396100000000 ] - [ -0.0003628000000000, 0.0000687300000000, -0.0001643800000000 ] - [ 0.0001671800000000, 0.0002208700000000, -0.0005369800000000 ] - [ -0.0002508700000000, 0.0002202200000000, -0.0006237500000000 ] - [ 0.0023555300000000, -0.0021340400000000, 0.0026876000000000 ] - [ -0.0004352700000000, 0.0003000300000000, 0.0000069100000000 ] - [ 0.0000761900000000, -0.0004155100000000, -0.0006194400000000 ] - [ 0.0000803700000000, 0.0002810000000000, 0.0007147500000000 ] - [ -0.0002182300000000, 0.0000631000000000, -0.0018217500000000 ] - [ -0.0040129500000000, -0.0003130700000000, -0.0023390800000000 ] - [ 0.0044334900000000, -0.0054620000000000, -0.0013094600000000 ] - [ -0.0000694000000000, 0.0000128300000000, -0.0006566400000000 ] - [ 0.0001493000000000, 0.0000052600000000, -0.0006707300000000 ] - [ -0.0025173100000000, -0.0029130000000000, 0.0006248000000000 ] - [ 0.0043107400000000, 0.0052933000000000, -0.0012908500000000 ] - [ 0.0002601400000000, -0.0000527700000000, -0.0000415700000000 ] - [ -0.0012751800000000, -0.0000113500000000, -0.0003192300000000 ] - [ 0.0002044800000000, 0.0000415300000000, 0.0002475600000000 ] - [ 0.0001978100000000, 0.0011115200000000, -0.0000910100000000 ] - [ 0.0021782200000000, 0.0007168100000000, -0.0011463600000000 ] - [ 0.0001216500000000, -0.0000508600000000, 0.0001664600000000 ] - [ 0.0000401200000000, -0.0000161800000000, 0.0007729900000000 ] - [ -0.0003172700000000, 0.0000264000000000, 0.0005972000000000 ] - [ -0.0009104100000000, -0.0012141200000000, -0.0009965100000000 ] - [ -0.0020756300000000, -0.0002504100000000, -0.0006240600000000 ] - [ 0.0001900800000000, 0.0010846000000000, -0.0008228400000000 ] - [ 0.0006440800000000, 0.0005808700000000, -0.0005608600000000 ] - [ 0.0000454200000000, -0.0000457100000000, 0.0004599300000000 ] - [ -0.0001699100000000, -0.0000208200000000, 0.0001210000000000 ] - [ 0.0006403100000000, 0.0000358200000000, 0.0005392300000000 ] - [ -0.4366224000000000, -0.0052720500000000, -0.1235709600000000 ] - [ 0.0003536400000000, -0.0003333900000000, -0.0004517300000000 ] - [ 0.0002984800000000, -0.0000971600000000, 0.0015911100000000 ] - [ -0.0010295000000000, -0.0000029100000000, -0.0000877100000000 ] - [ 0.0006179000000000, -0.0003912500000000, -0.0006207900000000 ] - [ 0.0016322400000000, 0.0001686900000000, -0.0002303300000000 ] - [ 0.0001308500000000, 0.0000669100000000, 0.0000736600000000 ] - [ 0.0008540500000000, 0.0001097500000000, 0.0007525400000000 ] - [ 0.0001589500000000, -0.0000171500000000, 0.0000138400000000 ] - [ -0.0011686100000000, -0.0018853700000000, -0.0020792900000000 ] - [ 0.0014566900000000, 0.0003658100000000, 0.0004017600000000 ] - [ -0.0000220900000000, 0.0000813000000000, 0.0004607000000000 ] - [ 0.0020928100000000, -0.0008020900000000, -0.0015738400000000 ] - [ -0.0000784100000000, 0.0002941000000000, -0.0004735200000000 ] - [ 0.0000813700000000, -0.0000674100000000, 0.0000547100000000 ] - [ -0.0001484600000000, 0.0005192300000000, 0.0007411500000000 ] - [ 0.0039519600000000, 0.0003076900000000, 0.0173174700000000 ] - [ -0.0025507300000000, 0.0004638100000000, -0.0007516400000000 ] - [ 0.0020171000000000, 0.0021564700000000, 0.0001912400000000 ] - [ -0.0000783800000000, -0.0000845400000000, -0.0000229000000000 ] - [ -0.0003567400000000, -0.0000464900000000, 0.0006099300000000 ] - [ -0.0002178300000000, 0.0000878600000000, 0.0000342700000000 ] - [ 0.0001464500000000, 0.0002998500000000, -0.0000349500000000 ] - [ 0.0026525400000000, 0.0000788600000000, 0.0003214300000000 ] - [ -0.0002632600000000, -0.0004921200000000, 0.0007647900000000 ] - [ -0.0007778300000000, 0.0009775500000000, 0.0007674300000000 ] - [ 0.0014436000000000, -0.0002535900000000, 0.0005577700000000 ] - [ -0.0000859000000000, -0.0000671300000000, 0.0002997300000000 ] - [ 0.0001328100000000, 0.0000278100000000, -0.0002040500000000 ] - [ -0.0002046500000000, 0.0003860200000000, 0.0001435600000000 ] - [ -0.0024384200000000, -0.0003065000000000, -0.0003175400000000 ] - [ 0.0000485700000000, -0.0002092100000000, -0.0000443400000000 ] - [ -0.0008840400000000, 0.0014515500000000, -0.0013220100000000 ] - [ 0.0025425500000000, -0.0001545100000000, 0.0006906700000000 ] - [ -0.0002369900000000, 0.0005099500000000, 0.0005108800000000 ] - [ 0.0021028900000000, 0.0001356000000000, 0.0011067300000000 ] - [ -0.0000761200000000, -0.0000013900000000, 0.0007382300000000 ] - [ -0.0009802700000000, 0.0016433000000000, -0.0019359300000000 ] - [ -0.0000055000000000, 0.0000243200000000, 0.0002847000000000 ] - [ -0.0021244600000000, 0.0001999400000000, -0.0007588200000000 ] - [ 0.0000464700000000, 0.0000485500000000, 0.0000141900000000 ] - [ -0.0000200600000000, 0.0000000800000000, 0.0003052800000000 ] - [ -0.0002647400000000, -0.0000038500000000, 0.0007585200000000 ] - [ 0.0000251000000000, 0.0000058400000000, -0.0002314000000000 ] - [ -0.0002694000000000, -0.0004878800000000, 0.0005040800000000 ] - [ 0.0002982200000000, 0.0000587400000000, -0.0000276800000000 ] - [ -0.0000572500000000, -0.0019406800000000, 0.0001112400000000 ] - [ 0.0000503700000000, -0.0000914400000000, 0.0001256200000000 ] - [ 0.0000102800000000, -0.0000525000000000, -0.0000411700000000 ] - [ -0.0000228200000000, 0.0000522300000000, -0.0000808500000000 ] - [ -0.0008584900000000, -0.0010043900000000, 0.0007329900000000 ] - [ 0.0000420700000000, -0.0002245600000000, -0.0004853400000000 ] - [ -0.0009793300000000, -0.0044468900000000, 0.0025860600000000 ] - [ 0.0005827400000000, -0.0005613600000000, 0.0003430200000000 ] - [ 0.0326748400000000, -0.0166137600000000, 0.0063736600000000 ] - [ 0.0310091200000000, 0.0175574100000000, 0.0061866400000000 ] - [ 0.0001529800000000, -0.0002959600000000, -0.0000329700000000 ] - [ 0.0001295400000000, 0.0000248400000000, -0.0003213200000000 ] - [ 0.0007896200000000, -0.0001608200000000, -0.0004559800000000 ] - [ 0.0000093700000000, -0.0011494000000000, -0.0008804900000000 ] - [ 0.0023770600000000, -0.0028791900000000, -0.0009552800000000 ] - [ 0.0000225700000000, -0.0000283800000000, 0.0002810800000000 ] - [ 0.0001099700000000, -0.0000722800000000, 0.0001436900000000 ] - [ -0.0000886800000000, 0.0000609600000000, 0.0003005200000000 ] - [ -0.0000241600000000, -0.0000429400000000, 0.0004659100000000 ] - [ 0.0002146000000000, 0.0000488400000000, -0.0001883900000000 ] - [ -0.0002073500000000, -0.0000122100000000, -0.0000584400000000 ] - [ -0.0002646000000000, 0.0021217700000000, 0.0001028300000000 ] - [ 0.0000760800000000, -0.0000264300000000, 0.0002792400000000 ] - [ -0.0002953200000000, -0.0003029100000000, 0.0001184600000000 ] - [ 0.0007164400000000, 0.0000770400000000, -0.0012940900000000 ] - [ -0.0010937300000000, 0.0043502200000000, 0.0030658600000000 ] - [ 0.0009556400000000, 0.0022325900000000, 0.0008993400000000 ] - [ -0.0001067200000000, -0.0001628900000000, 0.0002951400000000 ] - [ 0.0001965200000000, -0.0000022300000000, 0.0003494100000000 ] - [ -0.0002532800000000, 0.0000089200000000, 0.0002800600000000 ] - [ 0.0006283400000000, 0.0020983000000000, -0.0011662000000000 ] - [ -0.0001152900000000, 0.0000182800000000, 0.0000622000000000 ] - [ 0.0007483100000000, -0.0020827700000000, -0.0011784000000000 ] - [ 0.0000895000000000, 0.0001963400000000, 0.0002784600000000 ] - [ 0.0072013600000000, -0.0002721100000000, -0.0047766200000000 ] - [ 0.0001702100000000, 0.0000679700000000, -0.0013058500000000 ] - [ 0.0007009300000000, -0.0023352700000000, 0.0008897200000000 ] - [ 0.0077795100000000, 0.0002998900000000, 0.0036657300000000 ] - [ 0.0001001600000000, -0.0004348700000000, 0.0000330500000000 ] - [ 0.0001714100000000, -0.0001979600000000, 0.0002897600000000 ] - [ 0.0000367500000000, 0.0004510100000000, 0.0000098600000000 ] - [ 0.0000687500000000, 0.0000585400000000, 0.0002964100000000 ] - [ -0.0001118300000000, -0.0000362100000000, 0.0000799800000000 ] - [ 0.0000326900000000, 0.0001066600000000, 0.0000882600000000 ]- atom: 100 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002347800000000, 0.0002730400000000, 0.0004334100000000 ] - [ -0.0001570100000000, 0.0006243300000000, -0.0000846800000000 ] - [ 0.0001994700000000, -0.0000064600000000, 0.0000922500000000 ] - [ -0.0001236100000000, -0.0006825600000000, -0.0001588000000000 ] - [ -0.0000397400000000, 0.0001925000000000, -0.0001139300000000 ] - [ 0.0001244500000000, -0.0003672200000000, 0.0004419800000000 ] - [ 0.0000176700000000, 0.0002403300000000, 0.0001100100000000 ] - [ -0.0001306800000000, -0.0002090000000000, -0.0001429400000000 ] - [ -0.0000332500000000, 0.0001223000000000, 0.0001444800000000 ] - [ -0.0003540700000000, 0.0001960100000000, -0.0002828500000000 ] - [ -0.0005016700000000, -0.0009519200000000, -0.0028919200000000 ] - [ -0.0001838500000000, -0.0003113000000000, 0.0000457600000000 ] - [ -0.0002579100000000, -0.0008136000000000, -0.0001429000000000 ] - [ 0.0000429900000000, -0.0000790100000000, 0.0003330400000000 ] - [ 0.0002077300000000, -0.0000868700000000, -0.0000595600000000 ] - [ 0.0012557800000000, 0.0006346500000000, 0.0010881600000000 ] - [ 0.0006377200000000, -0.0005265400000000, -0.0001806800000000 ] - [ 0.0006355300000000, 0.0006450200000000, -0.0002515300000000 ] - [ -0.0034624100000000, -0.0010131800000000, 0.0003051800000000 ] - [ 0.0003054200000000, -0.0020881600000000, 0.0021897600000000 ] - [ 0.0006106500000000, -0.0000151800000000, 0.0000377900000000 ] - [ 0.0030471100000000, 0.0000408000000000, -0.0001465200000000 ] - [ 0.0002577700000000, -0.0001549100000000, 0.0001718400000000 ] - [ 0.0001604300000000, 0.0001658400000000, 0.0003954500000000 ] - [ -0.0020405100000000, -0.0029193200000000, -0.0000492800000000 ] - [ 0.0002661800000000, 0.0021204800000000, 0.0021786100000000 ] - [ -0.0001933500000000, 0.0007353300000000, -0.0000476000000000 ] - [ -0.0000517200000000, 0.0000265200000000, 0.0003617200000000 ] - [ 0.0002844000000000, -0.0000402000000000, 0.0004582900000000 ] - [ 0.0000259000000000, 0.0000230100000000, 0.0003598100000000 ] - [ 0.0001931200000000, -0.0002691100000000, 0.0001524500000000 ] - [ 0.0002389500000000, 0.0000387500000000, -0.0001617300000000 ] - [ 0.0000057300000000, 0.0000580700000000, 0.0003653300000000 ] - [ 0.0001550200000000, -0.0000505200000000, 0.0004052900000000 ] - [ 0.0003050100000000, 0.0000517800000000, 0.0001101400000000 ] - [ -0.0006313200000000, 0.0010131200000000, -0.0028513000000000 ] - [ 0.0000141200000000, 0.0005322600000000, 0.0004452700000000 ] - [ -0.0000675300000000, 0.0002064200000000, -0.0000446100000000 ] - [ -0.0004085600000000, -0.0003368200000000, -0.0002620400000000 ] - [ -0.0001019300000000, -0.0001389400000000, 0.0002621000000000 ] - [ 0.0008467600000000, 0.0005536500000000, -0.0000813600000000 ] - [ -0.0007167400000000, -0.0001050400000000, 0.0046919200000000 ] - [ 0.0010568900000000, 0.0006854300000000, -0.0012602100000000 ] - [ -0.0000663300000000, 0.0000150200000000, -0.0000166200000000 ] - [ 0.0004139700000000, 0.0009591800000000, -0.0001772100000000 ] - [ 0.0000426700000000, -0.0001242800000000, 0.0001040400000000 ] - [ 0.0009001200000000, -0.0005239200000000, -0.0013942000000000 ] - [ 0.0039091800000000, -0.0019202100000000, -0.0000633400000000 ] - [ 0.0003021600000000, -0.0010042400000000, -0.0001512800000000 ] - [ 0.0007255800000000, -0.0005228000000000, 0.0000044200000000 ] - [ -0.0001137300000000, 0.0000601900000000, 0.0004447200000000 ] - [ -0.0002524300000000, 0.0001800200000000, 0.0004130700000000 ] - [ 0.0012441900000000, -0.0007217900000000, 0.0010428900000000 ] - [ -0.0002699300000000, 0.0002523900000000, 0.0000438600000000 ] - [ -0.0000832700000000, -0.0001387500000000, 0.0003329400000000 ] - [ -0.0020224700000000, 0.0028535000000000, -0.0001773300000000 ] - [ -0.0000535200000000, -0.0000206400000000, -0.0000195400000000 ] - [ -0.0004645200000000, -0.0001550900000000, 0.0004374700000000 ] - [ -0.0032869100000000, 0.0007732200000000, 0.0006571800000000 ] - [ 0.0039038100000000, 0.0019638300000000, 0.0000084300000000 ] - [ -0.0026417000000000, -0.0000602200000000, -0.0050190600000000 ] - [ -0.0000719600000000, -0.0001440100000000, -0.0000086600000000 ] - [ 0.0000775600000000, -0.0000099400000000, 0.0001787900000000 ] - [ -0.0000926300000000, 0.0002416100000000, -0.0001047100000000 ] - [ 0.0042992500000000, 0.0001147100000000, -0.0016318200000000 ] - [ -0.0014066900000000, -0.0000306500000000, 0.0017706100000000 ] - [ 0.0024274100000000, -0.0028776300000000, -0.0011992300000000 ] - [ -0.0025971900000000, -0.0017858500000000, -0.0029470300000000 ] - [ -0.3257175700000000, -0.0034643700000000, -0.0839069600000000 ] - [ 0.0000905800000000, 0.0000186800000000, 0.0007634800000000 ] - [ 0.0003608400000000, -0.0000676700000000, -0.0005129400000000 ] - [ 0.0000686700000000, 0.0001891400000000, 0.0000640700000000 ] - [ -0.0002148000000000, -0.0002203100000000, 0.0001442900000000 ] - [ -0.0029167300000000, 0.0021257400000000, -0.0027616400000000 ] - [ 0.0004258700000000, -0.0002964400000000, 0.0001530300000000 ] - [ 0.0001554900000000, 0.0000125400000000, 0.0001395800000000 ] - [ -0.0001829400000000, -0.0002820500000000, -0.0001203000000000 ] - [ 0.0002705500000000, 0.0000339700000000, 0.0024122800000000 ] - [ 0.0042880000000000, -0.0001774600000000, 0.0022252200000000 ] - [ -0.0042957900000000, 0.0054303700000000, 0.0015349700000000 ] - [ 0.0000841700000000, -0.0000223900000000, 0.0000608900000000 ] - [ -0.0001640100000000, 0.0000037800000000, 0.0000697300000000 ] - [ 0.0025098700000000, 0.0029103900000000, 0.0000826800000000 ] - [ -0.0043719700000000, -0.0053812900000000, 0.0015188400000000 ] - [ -0.0002605000000000, 0.0000494300000000, -0.0001974100000000 ] - [ 0.0012610900000000, 0.0000080800000000, 0.0000956100000000 ] - [ -0.0002016500000000, -0.0000377900000000, 0.0000787900000000 ] - [ -0.0000804000000000, -0.0013074300000000, 0.0003417500000000 ] - [ -0.0017449400000000, -0.0005363700000000, 0.0016826200000000 ] - [ 0.0005016400000000, 0.0000470100000000, 0.0002607700000000 ] - [ -0.0000410400000000, 0.0000152500000000, 0.0002951300000000 ] - [ 0.0005131000000000, 0.0002484200000000, -0.0012443200000000 ] - [ 0.0010676800000000, 0.0014846300000000, 0.0008990600000000 ] - [ 0.0017624300000000, 0.0002589000000000, 0.0005282500000000 ] - [ 0.0000806900000000, -0.0009270600000000, 0.0003202900000000 ] - [ -0.0006435900000000, -0.0005830000000000, -0.0002606500000000 ] - [ 0.0000371700000000, 0.0000412500000000, -0.0000091400000000 ] - [ -0.0003320800000000, 0.0004098300000000, 0.0002565500000000 ] - [ 0.0004667200000000, -0.0000307000000000, 0.0002659800000000 ] - [ 0.4124194700000000, 0.0048468800000000, 0.1135857300000000 ] - [ -0.0001510700000000, 0.0000567200000000, -0.0001974300000000 ] - [ -0.0003885300000000, -0.0000625000000000, -0.0017814600000000 ] - [ 0.0006867600000000, 0.0000394600000000, -0.0005615800000000 ] - [ 0.0002523200000000, 0.0017983000000000, -0.0003507500000000 ] - [ -0.0018561700000000, -0.0001686100000000, 0.0004801700000000 ] - [ 0.0001381700000000, 0.0003765100000000, -0.0003198300000000 ] - [ -0.0002876900000000, 0.0001315100000000, -0.0003723900000000 ] - [ -0.0002822700000000, 0.0002304000000000, -0.0000077200000000 ] - [ 0.0010359300000000, 0.0016429200000000, 0.0016929000000000 ] - [ -0.0014588300000000, -0.0000569000000000, -0.0008943500000000 ] - [ -0.0000233800000000, -0.0000117600000000, -0.0000102700000000 ] - [ -0.0018568500000000, 0.0004120200000000, 0.0012256700000000 ] - [ -0.0000165500000000, -0.0001461500000000, 0.0002757200000000 ] - [ -0.0000793000000000, 0.0000702200000000, -0.0000848700000000 ] - [ 0.0000765500000000, 0.0000893500000000, -0.0003610800000000 ] - [ -0.0040692700000000, -0.0003077400000000, -0.0155146400000000 ] - [ 0.0020955100000000, -0.0004525900000000, 0.0004127100000000 ] - [ -0.0018987200000000, -0.0019544000000000, 0.0000579500000000 ] - [ -0.0001338600000000, 0.0000759500000000, -0.0003123800000000 ] - [ 0.0004902600000000, -0.0002565000000000, -0.0012545000000000 ] - [ -0.0003027400000000, -0.0000811700000000, -0.0002801400000000 ] - [ 0.0001026000000000, 0.0001548200000000, -0.0002113100000000 ] - [ -0.0029067200000000, 0.0000863200000000, -0.0008167700000000 ] - [ -0.0000503100000000, -0.0000526600000000, -0.0003334800000000 ] - [ 0.0009075800000000, -0.0009673500000000, -0.0012783300000000 ] - [ -0.0012831400000000, -0.0000074500000000, -0.0006457500000000 ] - [ 0.0000080500000000, -0.0000776100000000, 0.0000217000000000 ] - [ -0.0004625200000000, -0.0000620700000000, -0.0004413400000000 ] - [ -0.0001131100000000, 0.0001530500000000, 0.0002837600000000 ] - [ 0.0020622400000000, 0.0005761700000000, 0.0008639600000000 ] - [ 0.0002079000000000, -0.0002669000000000, -0.0002039100000000 ] - [ 0.0011569700000000, -0.0015913800000000, 0.0008177000000000 ] - [ -0.0028834400000000, -0.0001162900000000, -0.0001467800000000 ] - [ -0.0003122500000000, 0.0004511400000000, 0.0002942000000000 ] - [ -0.0022262500000000, 0.0001050600000000, -0.0014663000000000 ] - [ 0.0000753100000000, 0.0000002000000000, 0.0003350300000000 ] - [ 0.0012538100000000, -0.0016237900000000, 0.0015523700000000 ] - [ -0.0000810600000000, 0.0001300600000000, 0.0000313100000000 ] - [ 0.0018558100000000, -0.0003576700000000, 0.0002591200000000 ] - [ 0.0000518500000000, -0.0002362400000000, -0.0003494100000000 ] - [ 0.0001955900000000, 0.0000023300000000, 0.0000120500000000 ] - [ 0.0002652900000000, 0.0000070900000000, -0.0007881200000000 ] - [ -0.0000234000000000, -0.0000026600000000, -0.0006414800000000 ] - [ -0.0002820100000000, -0.0004670900000000, 0.0003011000000000 ] - [ -0.0000500600000000, -0.0000591200000000, 0.0000336100000000 ] - [ 0.0004831600000000, 0.0017491700000000, 0.0004340500000000 ] - [ -0.0001243500000000, -0.0005287100000000, 0.0002523500000000 ] - [ -0.0001324900000000, -0.0001595500000000, 0.0000467900000000 ] - [ 0.0001242000000000, 0.0001235800000000, -0.0002541700000000 ] - [ 0.0007972800000000, 0.0008961400000000, -0.0012439500000000 ] - [ 0.0001315500000000, 0.0002168300000000, 0.0002871200000000 ] - [ 0.0012077800000000, 0.0048198100000000, -0.0029188500000000 ] - [ -0.0005831200000000, 0.0005564700000000, 0.0012852200000000 ] - [ -0.0309730400000000, 0.0146457300000000, -0.0072029900000000 ] - [ -0.0294561200000000, -0.0155385900000000, -0.0070201800000000 ] - [ 0.0001130500000000, -0.0001521200000000, -0.0002131000000000 ] - [ 0.0000102000000000, 0.0002836900000000, -0.0003273100000000 ] - [ -0.0024437100000000, 0.0002041000000000, -0.0005140400000000 ] - [ -0.0000126700000000, 0.0008380200000000, 0.0003784200000000 ] - [ -0.0015875100000000, 0.0014094300000000, -0.0000163700000000 ] - [ -0.0001096800000000, -0.0001114600000000, 0.0000389400000000 ] - [ 0.0004760600000000, -0.0001682800000000, 0.0002339900000000 ] - [ 0.0000063200000000, 0.0000721800000000, 0.0000225400000000 ] - [ -0.0000202800000000, -0.0000341500000000, -0.0000138900000000 ] - [ -0.0002169900000000, -0.0000544700000000, 0.0001112200000000 ] - [ -0.0003330200000000, -0.0000036300000000, -0.0001896300000000 ] - [ 0.0002067400000000, -0.0016562900000000, 0.0004416000000000 ] - [ 0.0000808100000000, 0.0000220300000000, 0.0000424300000000 ] - [ -0.0002061600000000, -0.0000709300000000, 0.0002591400000000 ] - [ -0.0007746000000000, 0.0000395400000000, 0.0007723600000000 ] - [ 0.0010379700000000, -0.0047727200000000, -0.0025142200000000 ] - [ -0.0009079000000000, -0.0023045700000000, -0.0009376500000000 ] - [ -0.0000083500000000, -0.0000368400000000, -0.0000979500000000 ] - [ -0.0001998500000000, -0.0000151600000000, -0.0001908300000000 ] - [ -0.0002051300000000, -0.0000029200000000, 0.0000571300000000 ] - [ -0.0005989400000000, -0.0021307300000000, 0.0011956300000000 ] - [ 0.0001121600000000, -0.0000233100000000, 0.0000936700000000 ] - [ -0.0007978000000000, 0.0020673900000000, 0.0012073000000000 ] - [ 0.0001437700000000, 0.0002079300000000, 0.0000574000000000 ] - [ -0.0072005600000000, 0.0003472800000000, 0.0047467800000000 ] - [ -0.0001518400000000, -0.0000382500000000, 0.0006018600000000 ] - [ -0.0007926500000000, 0.0023143600000000, -0.0009278400000000 ] - [ -0.0077959600000000, -0.0002573900000000, -0.0036432100000000 ] - [ -0.0001150000000000, 0.0004410000000000, -0.0007388400000000 ] - [ 0.0000623600000000, -0.0001959200000000, 0.0000475500000000 ] - [ -0.0000238500000000, -0.0004585600000000, -0.0007158500000000 ] - [ 0.0001679000000000, -0.0000552900000000, -0.0001011700000000 ] - [ 0.0000978900000000, 0.0000246900000000, 0.0000772300000000 ] - [ -0.0001493700000000, 0.0001000500000000, 0.0001064400000000 ]- atom: 100 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0001635100000000, 0.0003838700000000, 0.0004803100000000 ] - [ -0.0004226200000000, -0.0001286000000000, 0.0001801000000000 ] - [ 0.0000989900000000, 0.0000398200000000, 0.0001019800000000 ] - [ 0.0002692000000000, -0.0009096900000000, -0.0001525000000000 ] - [ -0.0000821000000000, 0.0002114600000000, -0.0001643600000000 ] - [ 0.0000225500000000, -0.0002566500000000, 0.0002531100000000 ] - [ 0.0000404400000000, 0.0001051300000000, -0.0001393400000000 ] - [ -0.0001369900000000, -0.0002445200000000, -0.0002002100000000 ] - [ -0.0000550100000000, 0.0001329400000000, 0.0001119100000000 ] - [ -0.0002893800000000, 0.0003005300000000, 0.0000444100000000 ] - [ 0.0003435300000000, -0.0005357000000000, -0.0029050000000000 ] - [ -0.0001186900000000, -0.0002391200000000, -0.0000171500000000 ] - [ 0.0000989900000000, -0.0009069700000000, -0.0000900500000000 ] - [ 0.0000352600000000, -0.0000674500000000, 0.0002793900000000 ] - [ 0.0002349500000000, -0.0000775100000000, -0.0001154700000000 ] - [ 0.0002605000000000, 0.0004271300000000, 0.0004992100000000 ] - [ 0.0005723400000000, -0.0005476000000000, -0.0001430100000000 ] - [ 0.0001521900000000, 0.0000555200000000, 0.0000834400000000 ] - [ 0.0008221000000000, 0.0044871600000000, -0.0003274300000000 ] - [ 0.0002745000000000, -0.0006757400000000, 0.0018170600000000 ] - [ 0.0004150600000000, 0.0000199200000000, 0.0000151800000000 ] - [ 0.0015830100000000, 0.0002830500000000, -0.0000320200000000 ] - [ 0.0001276200000000, -0.0001683600000000, 0.0002053400000000 ] - [ -0.0000176300000000, 0.0000537100000000, 0.0001139300000000 ] - [ -0.0004444500000000, -0.0036968900000000, 0.0002628700000000 ] - [ -0.0001023800000000, 0.0011907200000000, 0.0000293700000000 ] - [ -0.0003928300000000, 0.0000061400000000, -0.0002322700000000 ] - [ -0.0000815600000000, -0.0000309900000000, 0.0002988500000000 ] - [ 0.0003615600000000, 0.0000130600000000, 0.0004810200000000 ] - [ 0.0000342000000000, 0.0000201800000000, 0.0003094400000000 ] - [ 0.0003793600000000, -0.0001511700000000, 0.0002615900000000 ] - [ 0.0002246600000000, 0.0000143700000000, -0.0001686300000000 ] - [ 0.0000254100000000, 0.0000487200000000, 0.0003353500000000 ] - [ 0.0001094800000000, -0.0000461500000000, 0.0003256000000000 ] - [ 0.0002616800000000, 0.0000640300000000, -0.0000104000000000 ] - [ -0.0009678100000000, 0.0003166600000000, 0.0002152700000000 ] - [ -0.0001147600000000, 0.0004414300000000, 0.0001896400000000 ] - [ -0.0000591800000000, 0.0001817100000000, -0.0000662800000000 ] - [ -0.0002435600000000, -0.0002146400000000, -0.0002822700000000 ] - [ -0.0000729800000000, -0.0001065800000000, 0.0001779500000000 ] - [ 0.0003738600000000, 0.0000376200000000, -0.0003366100000000 ] - [ -0.0002976900000000, 0.0021029000000000, 0.0023834000000000 ] - [ 0.0002475100000000, 0.0004413300000000, -0.0006018400000000 ] - [ -0.0000222800000000, -0.0000185200000000, -0.0001424500000000 ] - [ -0.0002178000000000, -0.0003916900000000, -0.0000939700000000 ] - [ 0.0001048300000000, -0.0000741700000000, 0.0001590800000000 ] - [ 0.0006133100000000, -0.0000410800000000, -0.0009493600000000 ] - [ 0.0035450500000000, -0.0012326300000000, 0.0001727400000000 ] - [ 0.0004842600000000, -0.0012373900000000, -0.0000193400000000 ] - [ 0.0005917500000000, -0.0005055500000000, 0.0000700700000000 ] - [ -0.0001075400000000, 0.0000642900000000, 0.0003264500000000 ] - [ -0.0001841300000000, -0.0000259800000000, 0.0001822300000000 ] - [ 0.0008857600000000, -0.0001294700000000, 0.0007100400000000 ] - [ -0.0002205100000000, 0.0002301800000000, -0.0000651000000000 ] - [ -0.0000896400000000, -0.0002426800000000, 0.0003705500000000 ] - [ -0.0013467600000000, -0.0008732900000000, -0.0002729400000000 ] - [ -0.0001578900000000, -0.0002335400000000, 0.0001194700000000 ] - [ -0.0002683200000000, 0.0000252800000000, 0.0001660200000000 ] - [ -0.0042013900000000, 0.0051576500000000, 0.0009077500000000 ] - [ 0.0001761500000000, 0.0007968400000000, 0.0000480400000000 ] - [ -0.0011974800000000, 0.0012948500000000, -0.0026297100000000 ] - [ -0.0001138500000000, -0.0001540200000000, -0.0000697900000000 ] - [ 0.0001179600000000, -0.0000051500000000, 0.0000874800000000 ] - [ -0.0002466000000000, -0.0000308600000000, 0.0004437500000000 ] - [ 0.0021138500000000, 0.0020360500000000, -0.0007476200000000 ] - [ -0.0006871600000000, 0.0002636200000000, 0.0009147700000000 ] - [ 0.0011901800000000, -0.0025080100000000, -0.0009986000000000 ] - [ -0.0009158700000000, -0.0016256800000000, -0.0047903100000000 ] - [ -0.1631663900000000, 0.0733607800000000, -0.0425364100000000 ] - [ 0.0000034000000000, -0.0000365800000000, 0.0006036000000000 ] - [ -0.0000537900000000, -0.0002128100000000, -0.0003746200000000 ] - [ 0.0000932200000000, 0.0002858900000000, -0.0000846800000000 ] - [ -0.0001614100000000, -0.0001522400000000, -0.0000495700000000 ] - [ -0.0019215900000000, 0.0001546100000000, 0.0018979500000000 ] - [ 0.0003219700000000, -0.0003189000000000, 0.0000939500000000 ] - [ 0.0000683600000000, -0.0001370300000000, -0.0000526600000000 ] - [ 0.0000942600000000, -0.0002677800000000, -0.0002495300000000 ] - [ 0.0001492800000000, 0.0003268300000000, 0.0013362300000000 ] - [ 0.0022156000000000, 0.0005388500000000, 0.0010466800000000 ] - [ -0.0024084200000000, 0.0000674600000000, -0.0009112700000000 ] - [ 0.0000788500000000, -0.0000520800000000, -0.0001088300000000 ] - [ -0.0000852700000000, 0.0000826500000000, -0.0001140400000000 ] - [ 0.0012648100000000, 0.0003709800000000, 0.0001238700000000 ] - [ -0.0018732400000000, -0.0053001700000000, 0.0025262000000000 ] - [ -0.0002480500000000, 0.0001633800000000, -0.0001827200000000 ] - [ 0.0006271700000000, -0.0006361700000000, -0.0000178000000000 ] - [ -0.0000091600000000, 0.0000883900000000, 0.0001432500000000 ] - [ -0.0000257900000000, 0.0000026600000000, 0.0001804800000000 ] - [ -0.0013633300000000, -0.0009939400000000, 0.0014837600000000 ] - [ 0.0003087900000000, 0.0000397900000000, 0.0003295100000000 ] - [ -0.0000348300000000, 0.0000271700000000, 0.0004049000000000 ] - [ 0.0002850600000000, 0.0000171700000000, -0.0007248000000000 ] - [ 0.0002909700000000, 0.0007377200000000, 0.0011935500000000 ] - [ 0.0005141500000000, 0.0002962500000000, -0.0004952300000000 ] - [ 0.0006310500000000, 0.0004467300000000, -0.0007727300000000 ] - [ -0.0002592100000000, -0.0000197800000000, -0.0002822300000000 ] - [ 0.0000234900000000, 0.0000298300000000, 0.0001139800000000 ] - [ -0.0004103600000000, 0.0004879100000000, 0.0002973900000000 ] - [ 0.0005392300000000, -0.0000019400000000, 0.0003459400000000 ] - [ 0.2049267500000000, -0.0694687500000000, 0.0567012700000000 ] - [ -0.0001175200000000, 0.0000305100000000, -0.0001936200000000 ] - [ -0.0002172600000000, -0.0002734600000000, -0.0009247400000000 ] - [ 0.0002476500000000, -0.0001202600000000, -0.0004451900000000 ] - [ 0.0003567600000000, 0.0019474900000000, -0.0004840000000000 ] - [ -0.0011169900000000, 0.0002792200000000, 0.0002643900000000 ] - [ 0.0001255100000000, 0.0003033400000000, -0.0002259800000000 ] - [ -0.0000001300000000, 0.0000857900000000, -0.0000871400000000 ] - [ -0.0001480600000000, 0.0001951700000000, -0.0000131200000000 ] - [ 0.0000467500000000, 0.0022478000000000, 0.0027712400000000 ] - [ -0.0009381900000000, -0.0003169000000000, -0.0006466000000000 ] - [ -0.0000066400000000, 0.0000224900000000, 0.0001024500000000 ] - [ -0.0002333100000000, -0.0006919400000000, 0.0000114500000000 ] - [ 0.0001053900000000, 0.0000661400000000, -0.0001918900000000 ] - [ -0.0000540400000000, 0.0000653400000000, -0.0000381900000000 ] - [ 0.0000896100000000, 0.0000394600000000, -0.0000704400000000 ] - [ -0.0018680300000000, -0.0144452700000000, -0.0072140300000000 ] - [ 0.0013159000000000, 0.0006320000000000, 0.0009373300000000 ] - [ -0.0004816200000000, -0.0005219100000000, 0.0001676000000000 ] - [ -0.0001584200000000, 0.0000437300000000, -0.0002587300000000 ] - [ 0.0002974300000000, -0.0003720800000000, -0.0008319200000000 ] - [ -0.0002417800000000, -0.0000298600000000, -0.0001772500000000 ] - [ 0.0001433900000000, 0.0002325300000000, -0.0001811100000000 ] - [ -0.0015120500000000, -0.0000333000000000, -0.0005189000000000 ] - [ -0.0001742800000000, -0.0003236500000000, -0.0000683600000000 ] - [ 0.0004827500000000, -0.0000931100000000, 0.0002630000000000 ] - [ -0.0004016600000000, -0.0004101200000000, -0.0002869100000000 ] - [ -0.0000283500000000, -0.0001147800000000, 0.0000900500000000 ] - [ -0.0003634000000000, 0.0000374800000000, -0.0004046000000000 ] - [ -0.0000815700000000, 0.0001799900000000, 0.0001678400000000 ] - [ 0.0005441000000000, 0.0011882600000000, -0.0002324600000000 ] - [ 0.0001849800000000, -0.0002990800000000, -0.0001851200000000 ] - [ 0.0009112400000000, -0.0007920600000000, -0.0005305900000000 ] - [ -0.0015157500000000, -0.0005057200000000, 0.0000638400000000 ] - [ -0.0002924700000000, 0.0004765100000000, 0.0003546800000000 ] - [ -0.0011179100000000, -0.0004286500000000, -0.0007981600000000 ] - [ 0.0000372000000000, -0.0000361000000000, 0.0004339400000000 ] - [ 0.0010961300000000, 0.0006869100000000, -0.0013476200000000 ] - [ -0.0000760400000000, 0.0001364300000000, 0.0000912900000000 ] - [ 0.0010853100000000, -0.0000278200000000, 0.0007292600000000 ] - [ 0.0000631500000000, -0.0001601600000000, -0.0002526800000000 ] - [ 0.0001415800000000, -0.0000157700000000, 0.0000849800000000 ] - [ 0.0001297700000000, -0.0000444700000000, -0.0003970700000000 ] - [ 0.0000004600000000, 0.0000112100000000, -0.0005378800000000 ] - [ -0.0002630900000000, -0.0004335100000000, 0.0003389900000000 ] - [ 0.0001862400000000, 0.0000062600000000, -0.0000160100000000 ] - [ -0.0001122000000000, 0.0019322000000000, 0.0003845200000000 ] - [ 0.0000443100000000, -0.0002336000000000, 0.0001420400000000 ] - [ -0.0000028200000000, 0.0000271300000000, 0.0000285100000000 ] - [ 0.0000699000000000, 0.0000589100000000, -0.0001905300000000 ] - [ 0.0003685400000000, 0.0007954400000000, -0.0017720700000000 ] - [ -0.0000247000000000, 0.0002080500000000, 0.0003656000000000 ] - [ 0.0000793700000000, 0.0042240300000000, -0.0032403100000000 ] - [ -0.0003426700000000, 0.0005240900000000, 0.0011344500000000 ] - [ -0.0479711300000000, 0.0057081700000000, -0.0075161900000000 ] - [ 0.0190841100000000, -0.0074222100000000, -0.0000396400000000 ] - [ 0.0000950900000000, -0.0001481500000000, -0.0001526000000000 ] - [ -0.0000315600000000, 0.0003280800000000, -0.0003402300000000 ] - [ -0.0014859200000000, 0.0004828100000000, -0.0004984300000000 ] - [ -0.0004940800000000, 0.0012133100000000, 0.0008809300000000 ] - [ -0.0010216800000000, 0.0007465900000000, -0.0001198100000000 ] - [ -0.0000773200000000, -0.0000839100000000, 0.0000977700000000 ] - [ 0.0004804000000000, -0.0001248600000000, 0.0001176500000000 ] - [ -0.0000049200000000, 0.0000309900000000, 0.0000922800000000 ] - [ -0.0000212200000000, -0.0000583300000000, 0.0001071200000000 ] - [ -0.0000142100000000, 0.0000688100000000, -0.0000023700000000 ] - [ -0.0003007700000000, -0.0000242400000000, -0.0001562400000000 ] - [ 0.0005575000000000, 0.0004065300000000, 0.0003273400000000 ] - [ 0.0000568400000000, 0.0000185300000000, 0.0000992400000000 ] - [ -0.0002810900000000, -0.0001636000000000, 0.0003019400000000 ] - [ -0.0003979500000000, -0.0003154400000000, 0.0002553400000000 ] - [ 0.0010863500000000, -0.0007686900000000, 0.0006179500000000 ] - [ 0.0001367700000000, -0.0002939600000000, 0.0001149500000000 ] - [ -0.0000495700000000, -0.0000623800000000, -0.0001040100000000 ] - [ -0.0000998400000000, -0.0000312000000000, -0.0000518300000000 ] - [ -0.0002120700000000, 0.0000035400000000, 0.0001105800000000 ] - [ 0.0003217300000000, -0.0000424600000000, 0.0001300200000000 ] - [ 0.0000480000000000, -0.0000036200000000, 0.0002126400000000 ] - [ -0.0010628200000000, 0.0019950400000000, 0.0010775000000000 ] - [ 0.0001273800000000, 0.0002105800000000, 0.0001161900000000 ] - [ -0.0036660500000000, -0.0010679100000000, 0.0023953100000000 ] - [ -0.0000542800000000, -0.0002054900000000, 0.0001106100000000 ] - [ -0.0009375900000000, 0.0020073700000000, -0.0010316300000000 ] - [ -0.0037712400000000, -0.0012968900000000, -0.0017553400000000 ] - [ -0.0002023900000000, 0.0003239100000000, -0.0006680200000000 ] - [ 0.0000899400000000, -0.0002034600000000, 0.0001091600000000 ] - [ 0.0001419500000000, -0.0001112700000000, -0.0003943400000000 ] - [ 0.0001547900000000, -0.0000171600000000, 0.0001044700000000 ] - [ 0.0000494900000000, 0.0000196200000000, -0.0000499300000000 ] - [ -0.0001024100000000, 0.0000803600000000, 0.0001018500000000 ]- atom: 100 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0002130500000000, 0.0000372300000000, -0.0000467300000000 ] - [ 0.0003069500000000, 0.0003557900000000, 0.0001530500000000 ] - [ -0.0001505900000000, 0.0000636700000000, 0.0001793900000000 ] - [ -0.0002501000000000, 0.0006336200000000, 0.0003971200000000 ] - [ -0.0001677800000000, 0.0002354900000000, -0.0002802900000000 ] - [ -0.0002424800000000, -0.0001293500000000, -0.0002590500000000 ] - [ 0.0004105100000000, -0.0000994100000000, 0.0001281100000000 ] - [ -0.0001237300000000, -0.0002064300000000, -0.0002410900000000 ] - [ -0.0000715200000000, 0.0001096600000000, 0.0000069500000000 ] - [ 0.0000532300000000, 0.0000894400000000, -0.0000547900000000 ] - [ -0.0003244900000000, 0.0008245500000000, 0.0031529200000000 ] - [ -0.0000216400000000, -0.0001996200000000, -0.0002320400000000 ] - [ -0.0002939200000000, 0.0005010700000000, -0.0004967200000000 ] - [ -0.0000044500000000, -0.0000888300000000, 0.0002235500000000 ] - [ 0.0001969900000000, -0.0000296300000000, -0.0001424800000000 ] - [ -0.0003782000000000, -0.0006293500000000, -0.0001588200000000 ] - [ -0.0003225400000000, 0.0005619100000000, 0.0004797600000000 ] - [ 0.0000962400000000, 0.0001016300000000, 0.0001500200000000 ] - [ -0.0008700600000000, -0.0041364600000000, 0.0004274000000000 ] - [ -0.0004584300000000, 0.0010839400000000, -0.0024047900000000 ] - [ 0.0000407700000000, -0.0000278300000000, -0.0000263900000000 ] - [ -0.0013030800000000, -0.0001598000000000, 0.0001407900000000 ] - [ -0.0000735100000000, -0.0002646900000000, 0.0002237300000000 ] - [ 0.0001322200000000, -0.0000463500000000, 0.0001668800000000 ] - [ 0.0007344400000000, 0.0037117600000000, 0.0003172200000000 ] - [ -0.0001475200000000, -0.0015462300000000, -0.0005975400000000 ] - [ 0.0002804500000000, 0.0002011200000000, -0.0000993900000000 ] - [ -0.0000689500000000, -0.0000204300000000, 0.0002039700000000 ] - [ -0.0000231200000000, 0.0002408900000000, -0.0000463200000000 ] - [ -0.0000173500000000, 0.0001367800000000, 0.0001901500000000 ] - [ 0.0003700500000000, 0.0001371500000000, -0.0002194000000000 ] - [ 0.0002873100000000, -0.0000077000000000, -0.0002762400000000 ] - [ 0.0001018400000000, 0.0000446800000000, 0.0001639800000000 ] - [ 0.0000204400000000, -0.0000615100000000, 0.0001726500000000 ] - [ 0.0001772400000000, 0.0000396600000000, -0.0002471100000000 ] - [ 0.0007190800000000, -0.0004342000000000, 0.0000073900000000 ] - [ -0.0002684200000000, 0.0002019800000000, -0.0001462200000000 ] - [ -0.0000698400000000, 0.0002491000000000, -0.0001917600000000 ] - [ -0.0001352700000000, -0.0004379000000000, 0.0003177700000000 ] - [ -0.0000574800000000, -0.0001189400000000, -0.0000528800000000 ] - [ 0.0000969100000000, 0.0000089400000000, -0.0002478500000000 ] - [ 0.0005161700000000, -0.0022797100000000, -0.0021418800000000 ] - [ -0.0003576700000000, -0.0006300300000000, 0.0002589800000000 ] - [ -0.0002004500000000, 0.0004118000000000, 0.0001298800000000 ] - [ 0.0001871100000000, 0.0000886700000000, 0.0001919700000000 ] - [ 0.0002365900000000, -0.0001760100000000, 0.0002698700000000 ] - [ -0.0008945700000000, 0.0004042100000000, 0.0003611500000000 ] - [ -0.0037998600000000, 0.0010479900000000, -0.0000779800000000 ] - [ -0.0007208900000000, 0.0014129500000000, 0.0001263600000000 ] - [ -0.0003606400000000, 0.0005113600000000, -0.0004052800000000 ] - [ -0.0000508300000000, -0.0000055400000000, 0.0001718400000000 ] - [ -0.0002017500000000, 0.0001955400000000, 0.0002480900000000 ] - [ -0.0011553900000000, 0.0002407000000000, -0.0004693100000000 ] - [ -0.0000892900000000, 0.0000914500000000, -0.0001920900000000 ] - [ 0.0000242600000000, 0.0001307000000000, -0.0000949500000000 ] - [ 0.0015944100000000, 0.0007696300000000, 0.0003792800000000 ] - [ -0.0000645000000000, -0.0001504600000000, -0.0001255900000000 ] - [ -0.0001340400000000, -0.0001963700000000, 0.0002629100000000 ] - [ 0.0035722600000000, -0.0049949500000000, -0.0002759700000000 ] - [ -0.0002812900000000, -0.0005447900000000, 0.0005329100000000 ] - [ 0.0016338800000000, -0.0013457100000000, 0.0020447400000000 ] - [ -0.0001954800000000, -0.0001861600000000, -0.0001800700000000 ] - [ 0.0001556800000000, 0.0000162800000000, 0.0000316000000000 ] - [ 0.0002967000000000, -0.0000590700000000, 0.0001456200000000 ] - [ -0.0021767800000000, -0.0019458000000000, 0.0009835200000000 ] - [ 0.0006883900000000, -0.0002671400000000, -0.0007402000000000 ] - [ -0.0011707200000000, 0.0024994700000000, 0.0000003100000000 ] - [ 0.0011803400000000, 0.0021029300000000, 0.0046490400000000 ] - [ 0.1669219300000000, -0.0720993700000000, 0.0431022000000000 ] - [ -0.0000032700000000, 0.0000375200000000, 0.0003016500000000 ] - [ 0.0000519800000000, 0.0002113500000000, -0.0003019000000000 ] - [ 0.0001426000000000, 0.0001246600000000, -0.0003828000000000 ] - [ -0.0003036900000000, 0.0001500000000000, -0.0004242100000000 ] - [ 0.0013535400000000, -0.0001601800000000, -0.0019956900000000 ] - [ -0.0003262100000000, 0.0003217100000000, 0.0000688800000000 ] - [ 0.0001631500000000, -0.0002648000000000, -0.0004214600000000 ] - [ -0.0001973300000000, 0.0002652000000000, 0.0008448100000000 ] - [ -0.0000933600000000, -0.0002285500000000, -0.0007341600000000 ] - [ -0.0019159500000000, -0.0010377200000000, -0.0011488600000000 ] - [ 0.0025465800000000, -0.0000730400000000, 0.0011435800000000 ] - [ -0.0000628300000000, 0.0000425500000000, -0.0004821200000000 ] - [ 0.0000696200000000, -0.0000736700000000, -0.0004782200000000 ] - [ -0.0012719900000000, -0.0003643400000000, 0.0005764000000000 ] - [ 0.0017812000000000, 0.0051556100000000, -0.0022732800000000 ] - [ 0.0002445200000000, -0.0001668600000000, -0.0000562500000000 ] - [ -0.0006297300000000, 0.0006334800000000, -0.0002144800000000 ] - [ 0.0000118600000000, -0.0000844900000000, 0.0001833500000000 ] - [ 0.0001467100000000, -0.0002056500000000, 0.0000732900000000 ] - [ 0.0017931400000000, 0.0011787200000000, -0.0009426100000000 ] - [ 0.0003153300000000, -0.0000439500000000, 0.0000959900000000 ] - [ 0.0000335700000000, -0.0000282000000000, 0.0006600800000000 ] - [ -0.0000860200000000, 0.0002575200000000, 0.0000706400000000 ] - [ -0.0001313900000000, -0.0004622000000000, -0.0012757900000000 ] - [ -0.0008209600000000, -0.0002849900000000, 0.0004026400000000 ] - [ -0.0003619900000000, -0.0002945600000000, 0.0002741400000000 ] - [ 0.0002594100000000, 0.0000156400000000, -0.0005332300000000 ] - [ 0.0000592600000000, -0.0000340700000000, 0.0003336000000000 ] - [ -0.0000917700000000, -0.0000976300000000, 0.0000783600000000 ] - [ 0.0005669500000000, 0.0000067400000000, 0.0004574500000000 ] - [ -0.2106354100000000, 0.0679433500000000, -0.0592314100000000 ] - [ 0.0003178900000000, -0.0003069600000000, -0.0004551400000000 ] - [ 0.0001244100000000, 0.0001125000000000, 0.0007239200000000 ] - [ -0.0005852100000000, 0.0001557100000000, -0.0002073200000000 ] - [ 0.0005065400000000, -0.0005394400000000, -0.0004841100000000 ] - [ 0.0008923200000000, -0.0002781400000000, -0.0000117100000000 ] - [ 0.0001440700000000, 0.0001415900000000, -0.0000214500000000 ] - [ 0.0005628100000000, 0.0001549200000000, 0.0004632200000000 ] - [ 0.0000240300000000, 0.0000190600000000, 0.0000186500000000 ] - [ -0.0001774400000000, -0.0024550600000000, -0.0031162800000000 ] - [ 0.0009296700000000, 0.0006289500000000, 0.0001504600000000 ] - [ -0.0000385800000000, 0.0000468300000000, 0.0003448400000000 ] - [ 0.0004519500000000, 0.0003144500000000, -0.0003426800000000 ] - [ -0.0001989900000000, 0.0000808900000000, -0.0000022400000000 ] - [ 0.0000553300000000, -0.0000625100000000, 0.0000066600000000 ] - [ -0.0001617700000000, 0.0005673300000000, 0.0004464600000000 ] - [ 0.0017171100000000, 0.0145883900000000, 0.0088324000000000 ] - [ -0.0017698300000000, -0.0006271300000000, -0.0012753600000000 ] - [ 0.0005966700000000, 0.0007171200000000, 0.0000847600000000 ] - [ -0.0000547100000000, -0.0000517900000000, -0.0000773400000000 ] - [ -0.0001612100000000, 0.0000680100000000, 0.0001790200000000 ] - [ -0.0002792000000000, 0.0000360900000000, -0.0000695700000000 ] - [ 0.0001058800000000, 0.0002223200000000, -0.0000658000000000 ] - [ 0.0012430600000000, 0.0001988700000000, 0.0000190900000000 ] - [ -0.0001400700000000, -0.0002214400000000, 0.0004954900000000 ] - [ -0.0003534800000000, 0.0000992100000000, -0.0007732200000000 ] - [ 0.0005518600000000, 0.0001529900000000, 0.0001937700000000 ] - [ -0.0000495500000000, -0.0000308400000000, 0.0002282900000000 ] - [ 0.0000303300000000, -0.0000723700000000, -0.0002425300000000 ] - [ -0.0002355500000000, 0.0003593600000000, 0.0002594700000000 ] - [ -0.0009013100000000, -0.0009089000000000, 0.0007803100000000 ] - [ 0.0000721900000000, -0.0001780600000000, -0.0000639000000000 ] - [ -0.0006349900000000, 0.0006510200000000, 0.0000296600000000 ] - [ 0.0011588900000000, 0.0002383500000000, 0.0004801200000000 ] - [ -0.0002563600000000, 0.0004837600000000, 0.0004486100000000 ] - [ 0.0009827100000000, 0.0006755700000000, 0.0004336600000000 ] - [ -0.0000375000000000, 0.0000347400000000, 0.0006330200000000 ] - [ -0.0008237400000000, -0.0006781600000000, 0.0009808200000000 ] - [ -0.0000109300000000, 0.0000178700000000, 0.0002227200000000 ] - [ -0.0013314000000000, -0.0001311400000000, -0.0012186100000000 ] - [ 0.0000356600000000, -0.0000290300000000, -0.0000836400000000 ] - [ 0.0000355600000000, 0.0000181000000000, 0.0002292000000000 ] - [ -0.0001275300000000, 0.0000474500000000, 0.0003601800000000 ] - [ 0.0000013800000000, -0.0000080500000000, -0.0003361500000000 ] - [ -0.0002876400000000, -0.0005207500000000, 0.0004644000000000 ] - [ 0.0000618100000000, -0.0000067400000000, 0.0000216200000000 ] - [ 0.0005400400000000, -0.0021080300000000, 0.0001623000000000 ] - [ -0.0001185000000000, -0.0003875400000000, 0.0002356700000000 ] - [ -0.0001183200000000, -0.0002379000000000, -0.0000229700000000 ] - [ 0.0000320700000000, 0.0001168500000000, -0.0001448200000000 ] - [ -0.0004231800000000, -0.0008953100000000, 0.0012514000000000 ] - [ 0.0001990200000000, -0.0002150600000000, -0.0005653900000000 ] - [ 0.0001420600000000, -0.0038067300000000, 0.0028736800000000 ] - [ 0.0003358600000000, -0.0005272700000000, 0.0004960900000000 ] - [ 0.0501331800000000, -0.0074751500000000, 0.0065830400000000 ] - [ -0.0185466200000000, 0.0088156300000000, -0.0009963200000000 ] - [ 0.0001711600000000, -0.0002996000000000, -0.0000937200000000 ] - [ 0.0001696700000000, -0.0000195100000000, -0.0003081200000000 ] - [ -0.0001848700000000, -0.0004406200000000, -0.0004711800000000 ] - [ 0.0004882400000000, -0.0015122000000000, -0.0013673100000000 ] - [ 0.0017958100000000, -0.0022050100000000, -0.0008464900000000 ] - [ -0.0000102300000000, -0.0000565100000000, 0.0002202900000000 ] - [ 0.0001091100000000, -0.0001151400000000, 0.0002597700000000 ] - [ -0.0000774900000000, 0.0001027000000000, 0.0002276400000000 ] - [ -0.0000232800000000, -0.0000191100000000, 0.0003416600000000 ] - [ 0.0000119300000000, -0.0000737300000000, -0.0000746800000000 ] - [ -0.0002403400000000, 0.0000079400000000, -0.0000923400000000 ] - [ -0.0006189300000000, 0.0000488300000000, 0.0002210100000000 ] - [ 0.0001000200000000, -0.0000230400000000, 0.0002205300000000 ] - [ -0.0002192400000000, -0.0002098300000000, 0.0000741100000000 ] - [ 0.0003364700000000, 0.0004358400000000, -0.0007664700000000 ] - [ -0.0011438900000000, 0.0003307500000000, -0.0000699500000000 ] - [ -0.0000992500000000, 0.0001930200000000, -0.0001693400000000 ] - [ -0.0000655000000000, -0.0001375600000000, 0.0002978500000000 ] - [ 0.0000952300000000, 0.0000138400000000, 0.0002078100000000 ] - [ -0.0002462500000000, 0.0000022400000000, 0.0002258100000000 ] - [ -0.0002982600000000, -0.0000178300000000, -0.0000862800000000 ] - [ -0.0000500900000000, -0.0000020400000000, -0.0000560600000000 ] - [ 0.0010098200000000, -0.0020027900000000, -0.0010452200000000 ] - [ 0.0001061600000000, 0.0001936000000000, 0.0002189400000000 ] - [ 0.0036821600000000, 0.0011296500000000, -0.0024295000000000 ] - [ 0.0000717300000000, 0.0002335300000000, -0.0008114000000000 ] - [ 0.0008410700000000, -0.0020174100000000, 0.0009912600000000 ] - [ 0.0037667600000000, 0.0013369300000000, 0.0017748600000000 ] - [ 0.0001860400000000, -0.0003137100000000, -0.0000386800000000 ] - [ 0.0001437600000000, -0.0001904700000000, 0.0002273700000000 ] - [ -0.0001278300000000, 0.0001002500000000, -0.0003154400000000 ] - [ 0.0000823900000000, 0.0000196200000000, 0.0000886900000000 ] - [ -0.0000627200000000, -0.0000308200000000, 0.0002060200000000 ] - [ -0.0000144700000000, 0.0001266900000000, 0.0000919000000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000186400000000, 0.0004455500000000, -0.0004261000000000 ] - [ -0.0000683100000000, 0.0001657500000000, 0.0003598300000000 ] - [ -0.0000669000000000, 0.0000305700000000, -0.0000587000000000 ] - [ 0.0000310600000000, -0.0001689200000000, 0.0003682200000000 ] - [ -0.0001669000000000, 0.0002674800000000, -0.0005475000000000 ] - [ -0.0004170200000000, -0.0000202900000000, -0.0003962500000000 ] - [ 0.0002533100000000, -0.0003378400000000, -0.0003536100000000 ] - [ -0.0001455100000000, -0.0002780400000000, -0.0005417600000000 ] - [ -0.0000579000000000, 0.0001551000000000, -0.0003059100000000 ] - [ 0.0001429500000000, 0.0004006100000000, -0.0004101800000000 ] - [ 0.0011693600000000, -0.0004511700000000, 0.0004348100000000 ] - [ 0.0000157200000000, -0.0000790800000000, -0.0006346500000000 ] - [ -0.0000688900000000, 0.0000325400000000, -0.0000738000000000 ] - [ 0.0000296700000000, -0.0001140600000000, -0.0001093200000000 ] - [ 0.0002313900000000, -0.0000679700000000, -0.0004619000000000 ] - [ -0.0007922100000000, -0.0004123800000000, 0.0001103700000000 ] - [ 0.0001719800000000, 0.0001882900000000, 0.0003863800000000 ] - [ 0.0001451900000000, -0.0001079900000000, 0.0003878700000000 ] - [ -0.0011743900000000, -0.0010299300000000, 0.0030288800000000 ] - [ -0.0014199300000000, 0.0030566500000000, -0.0008855200000000 ] - [ 0.0002255000000000, -0.0000115100000000, -0.0002649200000000 ] - [ -0.0002891000000000, 0.0001060300000000, 0.0010824600000000 ] - [ -0.0000086000000000, -0.0001809800000000, 0.0000254700000000 ] - [ -0.0000763100000000, -0.0000864500000000, -0.0002181100000000 ] - [ 0.0003231000000000, -0.0000368200000000, 0.0014461700000000 ] - [ -0.0014102800000000, -0.0030508700000000, -0.0008826100000000 ] - [ -0.0000390600000000, -0.0001079500000000, 0.0001138100000000 ] - [ -0.0001027400000000, -0.0000630000000000, -0.0001049800000000 ] - [ 0.0000092700000000, 0.0002188400000000, -0.0001227700000000 ] - [ -0.0000043800000000, 0.0001243200000000, -0.0001067100000000 ] - [ 0.0003688700000000, 0.0003390300000000, -0.0003266100000000 ] - [ 0.0003087100000000, 0.0000160500000000, -0.0005477100000000 ] - [ 0.0001078400000000, 0.0000811400000000, -0.0001312500000000 ] - [ 0.0000579400000000, -0.0000621600000000, -0.0001291500000000 ] - [ 0.0000606700000000, 0.0000532700000000, -0.0006380500000000 ] - [ 0.0010108000000000, 0.0005541000000000, 0.0004396500000000 ] - [ -0.0004820900000000, 0.0001175100000000, -0.0003652200000000 ] - [ -0.0000592200000000, 0.0002361800000000, -0.0004590500000000 ] - [ 0.0000935900000000, -0.0005074000000000, -0.0003813200000000 ] - [ -0.0000923000000000, -0.0001119100000000, -0.0003655800000000 ] - [ 0.0000122300000000, -0.0001124800000000, -0.0000821100000000 ] - [ -0.0017217200000000, -0.0001081700000000, -0.0004729800000000 ] - [ 0.0002264400000000, 0.0001764500000000, 0.0000644800000000 ] - [ -0.0001005200000000, 0.0001874000000000, -0.0002214000000000 ] - [ -0.0000002800000000, -0.0002373800000000, 0.0008035600000000 ] - [ 0.0005757900000000, -0.0001206900000000, -0.0002587500000000 ] - [ 0.0001358900000000, -0.0001071300000000, -0.0001443400000000 ] - [ -0.0003197100000000, 0.0002786500000000, 0.0007776800000000 ] - [ -0.0001373300000000, 0.0001487800000000, 0.0007996400000000 ] - [ -0.0000758000000000, 0.0001439000000000, 0.0001070800000000 ] - [ -0.0001136500000000, 0.0000213200000000, -0.0001746000000000 ] - [ -0.0001319800000000, -0.0000619000000000, -0.0001037900000000 ] - [ -0.0008971500000000, 0.0003634400000000, 0.0001296400000000 ] - [ -0.0000710000000000, 0.0000191100000000, -0.0006385700000000 ] - [ 0.0000153900000000, 0.0000681400000000, -0.0001944200000000 ] - [ 0.0002862100000000, -0.0000656800000000, 0.0011957900000000 ] - [ -0.0001112600000000, -0.0001739200000000, -0.0002215900000000 ] - [ -0.0002375000000000, -0.0003214100000000, -0.0004302300000000 ] - [ -0.0011902200000000, 0.0009465500000000, 0.0032196700000000 ] - [ -0.0002268300000000, -0.0002314500000000, 0.0010130900000000 ] - [ 0.0033284500000000, -0.0000349100000000, -0.0033575100000000 ] - [ -0.0001802400000000, -0.0001805300000000, -0.0004583600000000 ] - [ 0.0001822400000000, -0.0000187100000000, -0.0003261500000000 ] - [ 0.0002219500000000, 0.0000450500000000, -0.0003223800000000 ] - [ -0.0003546800000000, 0.0000473900000000, 0.0006602700000000 ] - [ 0.0001771900000000, -0.0000062100000000, -0.0028310500000000 ] - [ -0.0003216100000000, 0.0002352500000000, 0.0011059600000000 ] - [ 0.0007776000000000, -0.0017339400000000, 0.0016806800000000 ] - [ 0.0896538700000000, 0.0011370900000000, 0.1166074700000000 ] - [ -0.0000351900000000, 0.0000010100000000, -0.0005088000000000 ] - [ 0.0000083800000000, 0.0000453600000000, -0.0005627100000000 ] - [ 0.0002949500000000, 0.0002020500000000, -0.0013866200000000 ] - [ -0.0003201100000000, 0.0001767100000000, -0.0013173000000000 ] - [ 0.0001546000000000, 0.0021298900000000, 0.0016965700000000 ] - [ 0.0000068400000000, -0.0000607300000000, -0.0005858400000000 ] - [ 0.0000250200000000, -0.0003747200000000, -0.0013172100000000 ] - [ 0.0001433800000000, -0.0000965300000000, -0.0003202400000000 ] - [ -0.0003535700000000, 0.0000594100000000, -0.0014475300000000 ] - [ -0.0017392900000000, -0.0003270400000000, 0.0014559700000000 ] - [ 0.0014177300000000, -0.0039351300000000, -0.0009752300000000 ] - [ -0.0000190400000000, -0.0000039500000000, -0.0012698500000000 ] - [ 0.0000512700000000, 0.0000049300000000, -0.0019875200000000 ] - [ -0.0002843100000000, -0.0002047800000000, 0.0020231800000000 ] - [ 0.0013511200000000, 0.0038278400000000, -0.0009581300000000 ] - [ 0.0001118700000000, 0.0000106100000000, -0.0000785600000000 ] - [ -0.0011233500000000, -0.0000159800000000, 0.0015422100000000 ] - [ 0.0000916800000000, -0.0000021100000000, 0.0002421600000000 ] - [ -0.0000132100000000, 0.0001290100000000, -0.0004608700000000 ] - [ 0.0003048000000000, 0.0002247000000000, -0.0001115200000000 ] - [ 0.0002438700000000, 0.0000827600000000, 0.0004848100000000 ] - [ 0.0000167600000000, -0.0000048300000000, 0.0011512400000000 ] - [ 0.0000398400000000, 0.0001694000000000, 0.0008857500000000 ] - [ -0.0001873000000000, 0.0014052500000000, -0.0003071400000000 ] - [ -0.0006217100000000, -0.0008101500000000, -0.0003994400000000 ] - [ -0.0000872700000000, -0.0005269600000000, -0.0005251000000000 ] - [ 0.0001317200000000, 0.0000296400000000, -0.0014640600000000 ] - [ 0.0000599500000000, -0.0000233000000000, 0.0009368300000000 ] - [ -0.0003174000000000, 0.0002815900000000, 0.0004665300000000 ] - [ 0.0006928000000000, 0.0000155700000000, 0.0007523300000000 ] - [ -0.1202418100000000, -0.0015133800000000, -0.1141755400000000 ] - [ 0.0000125000000000, -0.0000077800000000, -0.0001147100000000 ] - [ 0.0003883700000000, -0.0000863100000000, 0.0011142900000000 ] - [ -0.0001886200000000, 0.0000170400000000, 0.0007581100000000 ] - [ 0.0005697700000000, 0.0007845900000000, -0.0010832500000000 ] - [ 0.0002440700000000, -0.0000095100000000, -0.0004706500000000 ] - [ 0.0001252400000000, 0.0000142600000000, 0.0002905800000000 ] - [ 0.0007604300000000, 0.0001118600000000, 0.0007482000000000 ] - [ -0.0000363600000000, 0.0000799900000000, 0.0001567100000000 ] - [ -0.0003061300000000, 0.0003809000000000, -0.0016305700000000 ] - [ 0.0010991100000000, 0.0002173700000000, -0.0005275600000000 ] - [ -0.0000205200000000, 0.0000650800000000, 0.0009368100000000 ] - [ 0.0002113300000000, -0.0003304800000000, -0.0005615300000000 ] - [ -0.0001573400000000, 0.0000247500000000, 0.0002360700000000 ] - [ -0.0000005700000000, 0.0000127000000000, 0.0004710700000000 ] - [ 0.0000054900000000, 0.0004524800000000, 0.0007122500000000 ] - [ 0.0437826200000000, 0.0006455400000000, 0.0257418500000000 ] - [ -0.0007865100000000, 0.0009362500000000, -0.0002403400000000 ] - [ 0.0001606000000000, 0.0000709500000000, -0.0005868100000000 ] - [ 0.0000431800000000, -0.0000884000000000, 0.0002248300000000 ] - [ 0.0000118700000000, -0.0001800200000000, 0.0008943200000000 ] - [ -0.0000878500000000, 0.0001002800000000, 0.0002870700000000 ] - [ 0.0001006000000000, 0.0001993400000000, 0.0001986500000000 ] - [ 0.0004248900000000, 0.0000958600000000, -0.0004095600000000 ] - [ -0.0001096900000000, -0.0004224800000000, 0.0007339900000000 ] - [ -0.0001786600000000, 0.0006616300000000, 0.0005115100000000 ] - [ 0.0011497900000000, -0.0001622500000000, -0.0003194100000000 ] - [ 0.0000496500000000, 0.0001135700000000, 0.0007304300000000 ] - [ -0.0000548100000000, 0.0000194100000000, -0.0001347800000000 ] - [ -0.0002903000000000, 0.0002924400000000, 0.0004712400000000 ] - [ -0.0007436200000000, -0.0007679600000000, 0.0001949000000000 ] - [ -0.0000421400000000, -0.0001266800000000, 0.0003079600000000 ] - [ -0.0001051300000000, -0.0014443600000000, -0.0004692700000000 ] - [ 0.0001863100000000, -0.0001422300000000, 0.0001048100000000 ] - [ -0.0003139000000000, 0.0005783300000000, 0.0007378100000000 ] - [ 0.0003445500000000, 0.0001451400000000, -0.0012560500000000 ] - [ -0.0000256700000000, -0.0000009000000000, 0.0017567300000000 ] - [ -0.0000472400000000, -0.0005155700000000, -0.0016380400000000 ] - [ 0.0000139900000000, -0.0000169000000000, 0.0005056400000000 ] - [ -0.0006575900000000, 0.0007288500000000, -0.0006062800000000 ] - [ 0.0000401600000000, 0.0000865500000000, 0.0002274900000000 ] - [ -0.0001596100000000, -0.0000016200000000, 0.0007226400000000 ] - [ -0.0000208500000000, 0.0000028100000000, 0.0015002200000000 ] - [ 0.0000072000000000, -0.0000005100000000, 0.0002167600000000 ] - [ -0.0003248800000000, -0.0005770500000000, 0.0007378600000000 ] - [ 0.0001052700000000, -0.0000313000000000, 0.0001572900000000 ] - [ 0.0003782200000000, -0.0015473100000000, -0.0000939800000000 ] - [ -0.0001064800000000, -0.0003911300000000, 0.0004677700000000 ] - [ -0.0000778900000000, -0.0001058200000000, 0.0001539500000000 ] - [ -0.0000962400000000, -0.0000083400000000, 0.0002441700000000 ] - [ -0.0002704900000000, -0.0007020400000000, 0.0004972100000000 ] - [ -0.0000282000000000, 0.0000468100000000, 0.0002346000000000 ] - [ 0.0004558100000000, -0.0031312200000000, 0.0012702700000000 ] - [ 0.0000487300000000, -0.0000308300000000, -0.0002455100000000 ] - [ -0.0067568300000000, 0.0028383100000000, -0.0173795300000000 ] - [ -0.0067652600000000, -0.0030515800000000, -0.0173789500000000 ] - [ 0.0001184700000000, -0.0001915600000000, 0.0001982400000000 ] - [ 0.0000328700000000, 0.0000701500000000, -0.0001453800000000 ] - [ -0.0008042700000000, 0.0000198000000000, -0.0010094900000000 ] - [ -0.0002580800000000, 0.0004064500000000, -0.0005251500000000 ] - [ 0.0007537400000000, -0.0010634700000000, -0.0012304900000000 ] - [ 0.0000247100000000, 0.0000264400000000, 0.0005057800000000 ] - [ 0.0002295000000000, -0.0002028700000000, 0.0004623900000000 ] - [ 0.0000513600000000, -0.0001170700000000, 0.0007312000000000 ] - [ -0.0000427400000000, -0.0000479200000000, 0.0009907100000000 ] - [ -0.0000064000000000, -0.0000283700000000, 0.0000230600000000 ] - [ -0.0002128400000000, -0.0000133400000000, 0.0002234900000000 ] - [ 0.0001633400000000, 0.0017054900000000, -0.0001021100000000 ] - [ -0.0000126000000000, -0.0000083100000000, 0.0005084700000000 ] - [ -0.0003804500000000, -0.0002133000000000, 0.0004501300000000 ] - [ -0.0000394900000000, 0.0000617100000000, -0.0004931400000000 ] - [ 0.0003587500000000, 0.0030664600000000, 0.0017380500000000 ] - [ 0.0001551100000000, 0.0002468300000000, -0.0007489300000000 ] - [ -0.0000532500000000, -0.0001751200000000, 0.0004937100000000 ] - [ 0.0001595300000000, 0.0000032800000000, 0.0004274800000000 ] - [ -0.0002314900000000, -0.0000010300000000, 0.0005282100000000 ] - [ -0.0000918000000000, 0.0001298500000000, -0.0005246100000000 ] - [ -0.0000869200000000, 0.0001349400000000, 0.0004113800000000 ] - [ -0.0001022400000000, -0.0001459700000000, -0.0005199400000000 ] - [ 0.0001079800000000, 0.0002029100000000, 0.0005267200000000 ] - [ -0.0025487600000000, 0.0001154300000000, -0.0007846900000000 ] - [ -0.0003563600000000, -0.0000110200000000, -0.0000613300000000 ] - [ 0.0001094500000000, -0.0002908100000000, -0.0007426100000000 ] - [ 0.0035754100000000, 0.0001337900000000, -0.0002020600000000 ] - [ 0.0001673500000000, -0.0003031000000000, -0.0001909300000000 ] - [ 0.0001290800000000, -0.0001940400000000, 0.0005146000000000 ] - [ 0.0001514500000000, 0.0003139600000000, -0.0001929500000000 ] - [ 0.0001293100000000, 0.0000706200000000, 0.0004941800000000 ] - [ -0.0000725800000000, -0.0001544800000000, 0.0004108300000000 ] - [ -0.0000784400000000, 0.0001087600000000, 0.0003860200000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000701900000000, -0.0000279900000000, 0.0008612400000000 ] - [ -0.0000444300000000, 0.0000615300000000, -0.0000277400000000 ] - [ 0.0000142200000000, 0.0000767200000000, 0.0003399000000000 ] - [ -0.0000138300000000, -0.0001071700000000, -0.0001281100000000 ] - [ -0.0000828000000000, 0.0001793300000000, 0.0001036900000000 ] - [ 0.0001938700000000, -0.0003634800000000, 0.0003902200000000 ] - [ 0.0001999500000000, 0.0003405100000000, 0.0003438300000000 ] - [ -0.0001148300000000, -0.0001730000000000, 0.0001014000000000 ] - [ -0.0000670000000000, 0.0000840000000000, 0.0004289100000000 ] - [ -0.0003761300000000, -0.0000094000000000, 0.0003996100000000 ] - [ -0.0011676600000000, 0.0007410200000000, -0.0002179600000000 ] - [ -0.0001546800000000, -0.0003584500000000, 0.0003827500000000 ] - [ -0.0001295000000000, -0.0004387400000000, -0.0005084000000000 ] - [ 0.0000006200000000, -0.0000413400000000, 0.0006131900000000 ] - [ 0.0002009800000000, -0.0000394200000000, 0.0002024200000000 ] - [ 0.0006816600000000, 0.0002103500000000, 0.0002287800000000 ] - [ 0.0000812300000000, -0.0001760900000000, -0.0000553900000000 ] - [ 0.0000992500000000, 0.0002690500000000, -0.0001531000000000 ] - [ 0.0011704600000000, 0.0013684900000000, -0.0029506900000000 ] - [ 0.0012234900000000, -0.0026206400000000, 0.0003132400000000 ] - [ 0.0002300300000000, 0.0000038900000000, 0.0002550100000000 ] - [ 0.0005695500000000, 0.0000169300000000, -0.0009758200000000 ] - [ 0.0000626500000000, -0.0002524400000000, 0.0004021700000000 ] - [ 0.0001974800000000, 0.0000950500000000, 0.0005010300000000 ] - [ -0.0000535400000000, 0.0000233800000000, -0.0008626900000000 ] - [ 0.0011560500000000, 0.0026689200000000, 0.0003112600000000 ] - [ -0.0000694600000000, 0.0003134500000000, -0.0004428200000000 ] - [ -0.0000471100000000, 0.0000119300000000, 0.0006090300000000 ] - [ 0.0003303200000000, 0.0000342800000000, 0.0005556600000000 ] - [ 0.0000212400000000, 0.0000323600000000, 0.0006072500000000 ] - [ 0.0003798700000000, -0.0003495500000000, 0.0003687100000000 ] - [ 0.0002033800000000, -0.0000088600000000, 0.0001039400000000 ] - [ 0.0000196500000000, 0.0000112700000000, 0.0006318100000000 ] - [ 0.0000721600000000, -0.0000450100000000, 0.0006286400000000 ] - [ 0.0003765200000000, 0.0000508500000000, 0.0003777200000000 ] - [ -0.0012694600000000, -0.0006765200000000, -0.0002160200000000 ] - [ 0.0000962300000000, 0.0005242000000000, 0.0004074500000000 ] - [ -0.0000695800000000, 0.0001953400000000, 0.0001990400000000 ] - [ -0.0004702900000000, -0.0001474300000000, 0.0004193200000000 ] - [ -0.0000351100000000, -0.0001101400000000, 0.0004962900000000 ] - [ 0.0004566800000000, 0.0001591200000000, -0.0005003700000000 ] - [ 0.0018766800000000, -0.0000742300000000, 0.0004934800000000 ] - [ -0.0003348000000000, -0.0003657100000000, -0.0004038000000000 ] - [ -0.0001225600000000, 0.0002068600000000, 0.0002119900000000 ] - [ -0.0000302200000000, -0.0000642800000000, -0.0007068300000000 ] - [ -0.0002393500000000, -0.0001288900000000, 0.0006892800000000 ] - [ -0.0004211400000000, 0.0004698900000000, -0.0004387300000000 ] - [ 0.0000977400000000, -0.0004711000000000, -0.0006754800000000 ] - [ -0.0000979500000000, 0.0000244800000000, -0.0006946700000000 ] - [ 0.0003081300000000, -0.0001358400000000, -0.0004355800000000 ] - [ -0.0000435500000000, 0.0000378400000000, 0.0006744300000000 ] - [ -0.0002551600000000, 0.0002337000000000, 0.0005336400000000 ] - [ 0.0006305300000000, -0.0002558900000000, 0.0001106800000000 ] - [ -0.0002375000000000, 0.0003009600000000, 0.0003787500000000 ] - [ -0.0000824300000000, -0.0001845400000000, 0.0004700900000000 ] - [ -0.0000234500000000, -0.0000294600000000, -0.0010911200000000 ] - [ -0.0001106600000000, -0.0002103100000000, 0.0002159700000000 ] - [ -0.0001642500000000, 0.0001529900000000, 0.0008625200000000 ] - [ 0.0010767900000000, -0.0012283200000000, -0.0026614900000000 ] - [ 0.0001212100000000, 0.0004884400000000, -0.0004240900000000 ] - [ -0.0028636100000000, -0.0000316600000000, 0.0027770100000000 ] - [ -0.0001296100000000, -0.0001594000000000, 0.0002068200000000 ] - [ 0.0000867900000000, 0.0000309400000000, 0.0004504600000000 ] - [ -0.0001728900000000, -0.0001359700000000, 0.0009096800000000 ] - [ 0.0003054100000000, 0.0000662100000000, -0.0004429600000000 ] - [ -0.0001683200000000, 0.0000013100000000, 0.0029882100000000 ] - [ 0.0003296000000000, -0.0002425900000000, -0.0021001200000000 ] - [ -0.0004992500000000, 0.0022152000000000, -0.0017688800000000 ] - [ -0.0882227600000000, -0.0011153800000000, -0.1181084500000000 ] - [ 0.0000362200000000, 0.0000001500000000, 0.0014135200000000 ] - [ -0.0000082200000000, -0.0000452900000000, -0.0001086500000000 ] - [ -0.0000572600000000, 0.0002079400000000, 0.0009192300000000 ] - [ -0.0001461500000000, -0.0001763900000000, 0.0008428600000000 ] - [ -0.0007236300000000, -0.0021231600000000, -0.0017841800000000 ] - [ -0.0000143000000000, 0.0000639400000000, 0.0007520300000000 ] - [ 0.0002061200000000, -0.0000287400000000, 0.0008422700000000 ] - [ -0.0002497300000000, 0.0000964600000000, 0.0009070900000000 ] - [ 0.0004140600000000, 0.0000373100000000, 0.0020535000000000 ] - [ 0.0020188500000000, -0.0001633500000000, -0.0015297400000000 ] - [ -0.0013039300000000, 0.0039676800000000, 0.0012126300000000 ] - [ 0.0000349600000000, -0.0000054400000000, 0.0006772800000000 ] - [ -0.0000671700000000, 0.0000039800000000, 0.0013998600000000 ] - [ 0.0002924100000000, 0.0002130600000000, -0.0013292400000000 ] - [ -0.0014384200000000, -0.0039794900000000, 0.0011971400000000 ] - [ -0.0001146600000000, -0.0000145800000000, -0.0001595300000000 ] - [ 0.0011361900000000, 0.0000130500000000, -0.0017975700000000 ] - [ -0.0000906300000000, 0.0000061500000000, 0.0000855500000000 ] - [ 0.0001295300000000, -0.0003315000000000, 0.0007141100000000 ] - [ 0.0001111100000000, -0.0000504800000000, 0.0006689300000000 ] - [ 0.0003846100000000, -0.0000881200000000, -0.0000572700000000 ] - [ -0.0000177900000000, 0.0000038800000000, -0.0000855000000000 ] - [ 0.0001574800000000, 0.0001070200000000, -0.0015320600000000 ] - [ 0.0003459900000000, -0.0011275800000000, 0.0002108900000000 ] - [ 0.0003166000000000, 0.0008159800000000, 0.0003034600000000 ] - [ 0.0003561000000000, 0.0006767500000000, 0.0000240400000000 ] - [ -0.0001355600000000, -0.0000335800000000, 0.0006521800000000 ] - [ 0.0000231000000000, 0.0000186600000000, -0.0004885200000000 ] - [ -0.0001847400000000, 0.0001090200000000, -0.0000888200000000 ] - [ 0.0004134300000000, -0.0000107900000000, 0.0000508300000000 ] - [ 0.1167067600000000, 0.0014288300000000, 0.1133476500000000 ] - [ 0.0001893100000000, -0.0002688300000000, -0.0005364000000000 ] - [ -0.0004852700000000, -0.0000733300000000, -0.0013185700000000 ] - [ -0.0001531200000000, 0.0000196400000000, -0.0014066300000000 ] - [ 0.0002983600000000, 0.0006271100000000, 0.0001140500000000 ] - [ -0.0004803700000000, 0.0000115500000000, 0.0007240200000000 ] - [ 0.0001449600000000, 0.0004299300000000, -0.0005385300000000 ] - [ -0.0002004400000000, 0.0001294700000000, -0.0003734100000000 ] - [ -0.0000872400000000, 0.0001335600000000, -0.0001530800000000 ] - [ 0.0001768800000000, -0.0006131400000000, 0.0012516900000000 ] - [ -0.0010975600000000, 0.0000913100000000, 0.0000233300000000 ] - [ -0.0000243600000000, 0.0000046300000000, -0.0004887300000000 ] - [ 0.0000072700000000, -0.0000539300000000, 0.0002339800000000 ] - [ 0.0000645900000000, 0.0001228300000000, -0.0004292400000000 ] - [ 0.0000026000000000, -0.0000097900000000, -0.0005051300000000 ] - [ -0.0000795700000000, 0.0001558000000000, -0.0003371200000000 ] - [ -0.0428417800000000, -0.0006357400000000, -0.0233170100000000 ] - [ 0.0003471100000000, -0.0009386200000000, -0.0000928600000000 ] - [ -0.0000497700000000, 0.0001233400000000, 0.0008388500000000 ] - [ -0.0002552200000000, 0.0000793800000000, -0.0005614800000000 ] - [ 0.0001230900000000, -0.0001246500000000, -0.0015380200000000 ] - [ -0.0004329500000000, -0.0000932400000000, -0.0005344400000000 ] - [ 0.0001495400000000, 0.0002564600000000, -0.0004467300000000 ] - [ -0.0006887000000000, 0.0000694600000000, -0.0000964600000000 ] - [ -0.0002061000000000, -0.0001221300000000, -0.0003075600000000 ] - [ 0.0003129800000000, -0.0006617700000000, -0.0010247300000000 ] - [ -0.0009851000000000, -0.0000994000000000, 0.0002204600000000 ] - [ -0.0001278200000000, -0.0002602400000000, -0.0004134700000000 ] - [ -0.0002758800000000, -0.0000542100000000, -0.0005132800000000 ] - [ -0.0000260100000000, 0.0002485100000000, -0.0000433600000000 ] - [ 0.0003830900000000, 0.0010503300000000, 0.0003580700000000 ] - [ 0.0002987900000000, -0.0003503300000000, -0.0005577400000000 ] - [ 0.0003795600000000, 0.0012963000000000, -0.0000332700000000 ] - [ -0.0005503400000000, -0.0001287300000000, 0.0004405200000000 ] - [ -0.0002352100000000, 0.0003823600000000, 0.0000654700000000 ] - [ -0.0004829600000000, 0.0000954700000000, 0.0008707200000000 ] - [ 0.0000255900000000, -0.0000002900000000, -0.0006953500000000 ] - [ 0.0003248100000000, 0.0005237900000000, 0.0012620900000000 ] - [ -0.0001004100000000, 0.0001713200000000, -0.0001913000000000 ] - [ 0.0003968800000000, -0.0008841000000000, 0.0001053600000000 ] - [ 0.0000591800000000, -0.0002745900000000, -0.0005643000000000 ] - [ 0.0003383500000000, 0.0000041000000000, -0.0004095600000000 ] - [ 0.0000220600000000, 0.0000004200000000, -0.0015308100000000 ] - [ -0.0000053700000000, 0.0000037900000000, -0.0010925500000000 ] - [ -0.0002262100000000, -0.0003774900000000, 0.0000655500000000 ] - [ 0.0001413100000000, 0.0000307200000000, -0.0001535600000000 ] - [ 0.0000471700000000, 0.0013770900000000, 0.0006452700000000 ] - [ 0.0000322300000000, -0.0002307600000000, -0.0000896000000000 ] - [ -0.0000439800000000, -0.0001053900000000, -0.0001505200000000 ] - [ 0.0001975200000000, 0.0001846200000000, -0.0005806100000000 ] - [ 0.0002140600000000, 0.0006041000000000, -0.0010100700000000 ] - [ 0.0002043100000000, -0.0000542100000000, -0.0004280400000000 ] - [ -0.0002345900000000, 0.0035550000000000, -0.0016230200000000 ] - [ -0.0000520800000000, 0.0000277600000000, 0.0018731600000000 ] - [ 0.0074032700000000, -0.0042320400000000, 0.0163533700000000 ] - [ 0.0073338000000000, 0.0044807600000000, 0.0163541300000000 ] - [ 0.0001484800000000, -0.0002576500000000, -0.0004462000000000 ] - [ 0.0001067600000000, 0.0002384500000000, -0.0005052400000000 ] - [ -0.0008600800000000, 0.0000214100000000, 0.0000395800000000 ] - [ 0.0002532700000000, -0.0007103800000000, 0.0000244800000000 ] - [ 0.0000269100000000, -0.0003968900000000, 0.0002633300000000 ] - [ -0.0001118700000000, -0.0001663600000000, -0.0001873800000000 ] - [ 0.0003615900000000, -0.0000361600000000, -0.0000844600000000 ] - [ -0.0001343500000000, 0.0002521100000000, -0.0004126200000000 ] - [ -0.0000019600000000, -0.0000290900000000, -0.0005418200000000 ] - [ 0.0000031600000000, 0.0000229300000000, -0.0001053500000000 ] - [ -0.0003292400000000, -0.0000024300000000, -0.0004736100000000 ] - [ -0.0002225900000000, -0.0012615500000000, 0.0006525200000000 ] - [ 0.0001694800000000, 0.0000039600000000, -0.0001884700000000 ] - [ -0.0001194300000000, -0.0001622500000000, -0.0000720300000000 ] - [ -0.0000227600000000, 0.0000545300000000, -0.0000061600000000 ] - [ -0.0004223400000000, -0.0035395100000000, -0.0012068000000000 ] - [ -0.0001172500000000, -0.0003432200000000, 0.0006908400000000 ] - [ -0.0000627800000000, -0.0000249400000000, -0.0002981800000000 ] - [ -0.0001622500000000, -0.0000203200000000, -0.0002716800000000 ] - [ -0.0002268100000000, 0.0000064600000000, -0.0001924200000000 ] - [ 0.0001148200000000, -0.0001907100000000, 0.0005703700000000 ] - [ 0.0000837400000000, -0.0001395400000000, -0.0002568800000000 ] - [ 0.0000436800000000, 0.0001584900000000, 0.0005662800000000 ] - [ 0.0001253700000000, 0.0002019700000000, -0.0001923700000000 ] - [ 0.0025815100000000, -0.0000412900000000, 0.0007328300000000 ] - [ 0.0003720400000000, 0.0000407500000000, -0.0006436100000000 ] - [ -0.0002089700000000, 0.0002950400000000, 0.0006848100000000 ] - [ -0.0035823700000000, -0.0000907600000000, 0.0002303500000000 ] - [ -0.0001812500000000, 0.0003094800000000, -0.0005205400000000 ] - [ 0.0001053300000000, -0.0001997900000000, -0.0001784700000000 ] - [ -0.0001371100000000, -0.0003219700000000, -0.0005182900000000 ] - [ 0.0001091800000000, -0.0000690400000000, -0.0003006400000000 ] - [ 0.0000591400000000, 0.0001421300000000, -0.0002550100000000 ] - [ -0.0000383200000000, 0.0000992100000000, -0.0001899800000000 ]- atom: 102 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014405800000000, -0.0009066200000000, 0.0008808100000000 ] - [ 0.0000517500000000, -0.0001043900000000, 0.0003111100000000 ] - [ -0.0020133000000000, -0.0017538000000000, -0.0002399100000000 ] - [ 0.0001268300000000, 0.0000693800000000, 0.0002404200000000 ] - [ -0.0001271300000000, 0.0001734500000000, -0.0003754700000000 ] - [ -0.0001409800000000, -0.0002054500000000, -0.0000006900000000 ] - [ 0.0002155100000000, -0.0000163000000000, -0.0000065800000000 ] - [ -0.0001623000000000, -0.0003011900000000, -0.0002143400000000 ] - [ -0.0004884200000000, 0.0003259300000000, -0.0001747300000000 ] - [ -0.0000905600000000, 0.0001972400000000, -0.0000061600000000 ] - [ -0.0006363300000000, 0.0003662800000000, -0.0001119500000000 ] - [ -0.0000698200000000, -0.0001794200000000, 0.0000164500000000 ] - [ -0.0000905800000000, -0.0001797800000000, -0.0002869300000000 ] - [ -0.0004192800000000, -0.0002839000000000, 0.0000255900000000 ] - [ 0.0002920400000000, -0.0000646600000000, -0.0001007200000000 ] - [ 0.0027934400000000, 0.0003865000000000, 0.0000006400000000 ] - [ -0.0001324200000000, -0.0004580000000000, 0.0003016800000000 ] - [ -0.0001473300000000, 0.0005124000000000, 0.0002418400000000 ] - [ 0.0002307200000000, 0.0001363300000000, -0.0001818800000000 ] - [ -0.0001565000000000, 0.0002380400000000, -0.0003216600000000 ] - [ 0.0002515500000000, -0.0000050300000000, -0.0000061200000000 ] - [ 0.0003834000000000, 0.0000628200000000, 0.0005341900000000 ] - [ -0.0018511600000000, 0.0016936200000000, -0.0000961600000000 ] - [ 0.0009427200000000, 0.0009679100000000, -0.0001261900000000 ] - [ 0.0000307600000000, 0.0000987600000000, 0.0001764100000000 ] - [ -0.0001851400000000, -0.0002120000000000, -0.0003219000000000 ] - [ -0.0000489300000000, 0.0000832600000000, -0.0001538400000000 ] - [ -0.0000335400000000, 0.0001881600000000, 0.0003420800000000 ] - [ 0.0011463000000000, -0.0007001200000000, -0.0001220600000000 ] - [ 0.0000547000000000, -0.0001496800000000, 0.0003500700000000 ] - [ 0.0003600600000000, 0.0000111500000000, 0.0000204700000000 ] - [ 0.0003404000000000, 0.0000152100000000, -0.0001895400000000 ] - [ -0.0001403300000000, -0.0001595800000000, 0.0003676800000000 ] - [ -0.0003448700000000, -0.0000765900000000, -0.0019920600000000 ] - [ 0.0000635900000000, 0.0000528800000000, -0.0001217400000000 ] - [ -0.0007610900000000, -0.0002862700000000, -0.0001076600000000 ] - [ -0.0002236400000000, 0.0003338600000000, 0.0000239000000000 ] - [ -0.0000897900000000, 0.0002898700000000, -0.0001316900000000 ] - [ -0.0001598200000000, -0.0003268600000000, 0.0000202000000000 ] - [ 0.0000600500000000, -0.0003744600000000, 0.0012094000000000 ] - [ 0.0002090900000000, 0.0000578300000000, -0.0002736300000000 ] - [ 0.0035620400000000, -0.0000859800000000, 0.0003825000000000 ] - [ -0.0000027000000000, -0.0001002500000000, -0.0001409800000000 ] - [ -0.0001069200000000, 0.0001840700000000, -0.0000078600000000 ] - [ 0.0000120500000000, -0.0000558200000000, -0.0000383700000000 ] - [ -0.0009190000000000, -0.0001323300000000, 0.0003816900000000 ] - [ -0.0000902000000000, 0.0001835000000000, -0.0002658600000000 ] - [ -0.0003348900000000, -0.0002043800000000, 0.0002492500000000 ] - [ -0.0000911600000000, -0.0000125000000000, -0.0000325800000000 ] - [ 0.0000938000000000, -0.0000314800000000, -0.0001414800000000 ] - [ 0.0000095800000000, 0.0003406400000000, 0.0013771600000000 ] - [ -0.0004128300000000, 0.0005831200000000, 0.0001327500000000 ] - [ 0.0026094900000000, -0.0003010400000000, 0.0000470800000000 ] - [ -0.0001546000000000, 0.0001210600000000, 0.0000136200000000 ] - [ -0.0002862600000000, -0.0005893900000000, 0.0000582300000000 ] - [ 0.0000310400000000, -0.0001561300000000, -0.0000698300000000 ] - [ -0.0001065700000000, -0.0001797800000000, -0.0000065900000000 ] - [ -0.0016344300000000, 0.0010042700000000, 0.0008578500000000 ] - [ 0.0001915500000000, -0.0001096600000000, 0.0000510800000000 ] - [ -0.0002776800000000, 0.0002424700000000, 0.0004889400000000 ] - [ 0.0002827100000000, -0.0000326200000000, -0.0003452000000000 ] - [ -0.0001599900000000, -0.0001174100000000, -0.0002904000000000 ] - [ -0.0000503100000000, 0.0002057900000000, 0.0001795700000000 ] - [ -0.0007887700000000, 0.0005167100000000, 0.0003086600000000 ] - [ -0.0046765600000000, 0.0000769900000000, 0.0013035700000000 ] - [ -0.0000359400000000, -0.0000019600000000, 0.0001837500000000 ] - [ 0.0000633800000000, 0.0004359700000000, -0.0002849000000000 ] - [ 0.0001683500000000, 0.0001843700000000, -0.0002381400000000 ] - [ -0.0006681600000000, 0.0000011900000000, -0.0009199900000000 ] - [ 0.0014834400000000, -0.0015614800000000, 0.0000809500000000 ] - [ 0.0000342100000000, -0.0000607300000000, -0.0003274600000000 ] - [ 0.0004039300000000, 0.0002245900000000, -0.0002475900000000 ] - [ -0.0003724400000000, -0.0000698000000000, -0.0002499100000000 ] - [ -0.0002452800000000, 0.0000561800000000, -0.0002368500000000 ] - [ 0.0000146100000000, 0.0000356300000000, 0.0000324900000000 ] - [ -0.0000252200000000, -0.0001363000000000, -0.0002324700000000 ] - [ -0.0009009700000000, -0.0005735700000000, 0.0003078800000000 ] - [ 0.0858245300000000, 0.0000602200000000, 0.0002943600000000 ] - [ 0.0000818800000000, -0.0002563400000000, 0.0003161700000000 ] - [ -0.0007068600000000, 0.0021998200000000, -0.0004833900000000 ] - [ 0.0009849000000000, 0.0011311400000000, -0.0009066100000000 ] - [ -0.0010338800000000, 0.0000068700000000, 0.0008930900000000 ] - [ 0.0001011700000000, -0.0002690000000000, 0.0008997900000000 ] - [ -0.0007673400000000, -0.0022480800000000, -0.0004692700000000 ] - [ 0.0000067700000000, -0.0011695300000000, -0.0002348800000000 ] - [ 0.0020548800000000, 0.0000034600000000, 0.0001114100000000 ] - [ -0.0000088900000000, 0.0012250600000000, 0.0002362900000000 ] - [ -0.0000520400000000, 0.0001039500000000, -0.0000171000000000 ] - [ 0.0015371600000000, 0.0010137300000000, -0.0001949900000000 ] - [ 0.0008693000000000, -0.0000759200000000, 0.0002738700000000 ] - [ -0.0003326800000000, -0.0005150100000000, 0.0009347200000000 ] - [ 0.0001297200000000, 0.0001595700000000, -0.0003471200000000 ] - [ 0.0000463200000000, 0.0001342700000000, -0.0000036300000000 ] - [ -0.0001321800000000, -0.0000179000000000, -0.0000020500000000 ] - [ 0.0001010800000000, 0.0000175700000000, -0.0002010500000000 ] - [ -0.0000481900000000, 0.0002704900000000, -0.0008132500000000 ] - [ 0.0001239500000000, 0.0000213300000000, 0.0002358000000000 ] - [ -0.0001426100000000, 0.0004481000000000, 0.0002035600000000 ] - [ -0.0003042500000000, 0.0000050000000000, 0.0001535900000000 ] - [ -0.0004835400000000, -0.0000252400000000, -0.0000448300000000 ] - [ 0.0000847900000000, -0.0001470400000000, -0.0003197900000000 ] - [ -0.0763393400000000, -0.0000087800000000, 0.0004214400000000 ] - [ -0.0001724600000000, 0.0000177300000000, -0.0003368600000000 ] - [ 0.0003482100000000, 0.0005082800000000, -0.0004701600000000 ] - [ -0.0000622500000000, 0.0000892700000000, -0.0000011600000000 ] - [ 0.0002176200000000, 0.0002875600000000, -0.0001152600000000 ] - [ 0.0045684500000000, -0.0003773800000000, 0.0430879200000000 ] - [ -0.0000790600000000, 0.0001406500000000, 0.0000159500000000 ] - [ -0.0000837100000000, -0.0000708500000000, -0.0000317300000000 ] - [ 0.0000602700000000, 0.0002168400000000, -0.0003399900000000 ] - [ 0.0000559700000000, 0.0000174100000000, 0.0002208300000000 ] - [ 0.0014547200000000, -0.0011358700000000, -0.0006578600000000 ] - [ 0.0002135800000000, -0.0000037800000000, -0.0001182400000000 ] - [ -0.0000134700000000, -0.0000205100000000, 0.0000293800000000 ] - [ -0.0107353000000000, -0.0086187600000000, -0.0217262300000000 ] - [ 0.0001223500000000, -0.0000021200000000, 0.0010586200000000 ] - [ 0.0002852700000000, -0.0004040200000000, 0.0000634700000000 ] - [ -0.0000473600000000, 0.0001682800000000, -0.0000119600000000 ] - [ -0.0000176900000000, -0.0000219000000000, -0.0001688700000000 ] - [ 0.0001009500000000, -0.0001735600000000, -0.0003462200000000 ] - [ -0.0001764800000000, 0.0000209500000000, -0.0001253300000000 ] - [ 0.0001392000000000, 0.0002053400000000, -0.0001318900000000 ] - [ -0.0001589500000000, 0.0000848700000000, -0.0003341000000000 ] - [ -0.0112162000000000, 0.0086501900000000, -0.0214242000000000 ] - [ 0.0002406800000000, -0.0008593400000000, 0.0001862900000000 ] - [ 0.0001427600000000, -0.0001917500000000, -0.0001418700000000 ] - [ 0.0002439100000000, -0.0000949400000000, -0.0001922400000000 ] - [ -0.0001636200000000, -0.0000331900000000, -0.0003184400000000 ] - [ 0.0004355300000000, -0.0002124200000000, 0.0001342700000000 ] - [ 0.0003009200000000, 0.0005354600000000, 0.0005050800000000 ] - [ 0.0000169300000000, -0.0001504200000000, -0.0000978000000000 ] - [ 0.0001029100000000, -0.0000727800000000, -0.0002084700000000 ] - [ 0.0031443400000000, -0.0001671200000000, -0.0014754400000000 ] - [ -0.0005817100000000, 0.0017823000000000, 0.0011012400000000 ] - [ -0.0000030500000000, 0.0001204800000000, -0.0004837300000000 ] - [ 0.0005595700000000, 0.0000009600000000, -0.0002621100000000 ] - [ 0.0001214700000000, -0.0000422100000000, -0.0000317600000000 ] - [ -0.0000356800000000, -0.0003803300000000, 0.0003194700000000 ] - [ -0.0001097300000000, -0.0000546100000000, -0.0002057600000000 ] - [ 0.0001376600000000, -0.0001579200000000, -0.0001584900000000 ] - [ 0.0009019900000000, 0.0000082400000000, -0.0001608700000000 ] - [ 0.0000243000000000, 0.0000013700000000, -0.0001081300000000 ] - [ -0.0002732000000000, 0.0002832700000000, -0.0002267300000000 ] - [ -0.0004094900000000, 0.0000384500000000, 0.0004076000000000 ] - [ 0.0000934500000000, 0.0000082900000000, 0.0000004800000000 ] - [ -0.0000276900000000, 0.0008542300000000, 0.0005255200000000 ] - [ 0.0000400400000000, -0.0005531600000000, 0.0002048100000000 ] - [ -0.0000549400000000, -0.0000737500000000, -0.0000001300000000 ] - [ -0.0000640100000000, -0.0000111600000000, -0.0001612700000000 ] - [ 0.0001452200000000, 0.0008121800000000, 0.0001819600000000 ] - [ 0.0003535400000000, 0.0000770500000000, -0.0001042400000000 ] - [ 0.0003417700000000, 0.0019478900000000, 0.0006742300000000 ] - [ -0.0000067000000000, -0.0000803400000000, 0.0006916600000000 ] - [ 0.0006783000000000, -0.0007689000000000, -0.0003859000000000 ] - [ 0.0006327800000000, 0.0007853500000000, -0.0003823500000000 ] - [ 0.0001469500000000, -0.0001962800000000, -0.0001283100000000 ] - [ 0.0000529100000000, 0.0001244000000000, -0.0003075100000000 ] - [ -0.0008606100000000, -0.0001365300000000, -0.0005951600000000 ] - [ -0.0000324200000000, -0.0000934700000000, -0.0002000100000000 ] - [ 0.0003095300000000, -0.0009927600000000, -0.0007068500000000 ] - [ -0.0002465100000000, -0.0008698800000000, 0.0004431900000000 ] - [ 0.0008520200000000, -0.0000241500000000, 0.0002594900000000 ] - [ 0.0002483400000000, 0.0000788900000000, -0.0001918700000000 ] - [ -0.0005613600000000, -0.0000315100000000, 0.0002412500000000 ] - [ -0.0000122000000000, 0.0000168300000000, -0.0000569700000000 ] - [ -0.0005244200000000, -0.0000055100000000, -0.0001518200000000 ] - [ -0.0002581100000000, -0.0007297400000000, 0.0005194500000000 ] - [ -0.0005998400000000, -0.0000194500000000, 0.0002284100000000 ] - [ 0.0003559200000000, 0.0003047800000000, 0.0001065800000000 ] - [ 0.0016319600000000, 0.0000586200000000, -0.0011372700000000 ] - [ 0.0002042500000000, -0.0019752800000000, 0.0011509900000000 ] - [ 0.0000734900000000, -0.0000405700000000, -0.0000238900000000 ] - [ 0.0003871300000000, 0.0007803300000000, -0.0001812900000000 ] - [ 0.0000224800000000, -0.0000111400000000, 0.0001254900000000 ] - [ -0.0002352000000000, -0.0001486100000000, -0.0000101000000000 ] - [ 0.0001901900000000, -0.0001390100000000, 0.0000265100000000 ] - [ -0.0000127900000000, 0.0000120900000000, 0.0000527000000000 ] - [ 0.0001522800000000, 0.0001376600000000, 0.0000137700000000 ] - [ 0.0001156600000000, 0.0003505500000000, -0.0000060100000000 ] - [ -0.0001070900000000, 0.0000372000000000, -0.0000314700000000 ] - [ -0.0000281500000000, 0.0000152000000000, -0.0003526000000000 ] - [ 0.0000038600000000, -0.0000070600000000, -0.0000232700000000 ] - [ -0.0013656900000000, -0.0000010800000000, -0.0000600000000000 ] - [ 0.0000101900000000, 0.0000105200000000, -0.0003546200000000 ] - [ 0.0003732400000000, -0.0001882400000000, 0.0005308500000000 ] - [ 0.0000228600000000, -0.0000075200000000, -0.0003533500000000 ] - [ 0.0004837100000000, -0.0007860700000000, -0.0001609700000000 ] - [ -0.0000124900000000, -0.0000242000000000, 0.0000537600000000 ] - [ 0.0016749400000000, 0.0001027400000000, 0.0006219000000000 ]- atom: 102 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015045600000000, 0.0013237500000000, -0.0004285900000000 ] - [ -0.0001645500000000, 0.0003314800000000, 0.0000283500000000 ] - [ 0.0019578200000000, 0.0018535300000000, 0.0005306200000000 ] - [ -0.0001100000000000, -0.0003448800000000, 0.0000119900000000 ] - [ -0.0001235800000000, 0.0002732300000000, -0.0000696900000000 ] - [ -0.0000807100000000, -0.0001787700000000, -0.0000092800000000 ] - [ 0.0002377100000000, 0.0000208200000000, -0.0000073000000000 ] - [ -0.0000979000000000, -0.0001496100000000, -0.0002267400000000 ] - [ 0.0003591600000000, -0.0000782200000000, 0.0002890500000000 ] - [ -0.0001432900000000, 0.0001926000000000, -0.0000090000000000 ] - [ 0.0006487700000000, -0.0000728700000000, 0.0003570300000000 ] - [ -0.0000675500000000, -0.0002580300000000, -0.0002689600000000 ] - [ -0.0001075200000000, -0.0002259900000000, -0.0003027800000000 ] - [ 0.0004487700000000, 0.0001268800000000, 0.0004777600000000 ] - [ 0.0001384500000000, -0.0000414200000000, -0.0001590400000000 ] - [ -0.0028943200000000, -0.0006164300000000, 0.0003798100000000 ] - [ 0.0003857900000000, 0.0004749800000000, 0.0000380900000000 ] - [ 0.0003921000000000, -0.0003561800000000, 0.0000053100000000 ] - [ -0.0002618500000000, 0.0001649100000000, 0.0002838700000000 ] - [ -0.0000379300000000, 0.0001909200000000, -0.0002686500000000 ] - [ 0.0002031000000000, -0.0000025700000000, -0.0000089000000000 ] - [ -0.0001072500000000, 0.0000600000000000, -0.0004312200000000 ] - [ 0.0019011600000000, -0.0021236100000000, 0.0005353100000000 ] - [ -0.0008312500000000, -0.0009777900000000, 0.0004138400000000 ] - [ 0.0002488600000000, -0.0000901700000000, 0.0004057100000000 ] - [ -0.0000669900000000, -0.0001629500000000, -0.0002680000000000 ] - [ -0.0000597100000000, 0.0001223600000000, -0.0001821000000000 ] - [ -0.0001171500000000, -0.0002433900000000, 0.0001599100000000 ] - [ -0.0008130900000000, 0.0009706600000000, 0.0005632800000000 ] - [ -0.0000395300000000, 0.0003105100000000, 0.0001485100000000 ] - [ 0.0003885500000000, -0.0000229300000000, 0.0000183100000000 ] - [ 0.0001716000000000, -0.0000094000000000, -0.0002562300000000 ] - [ 0.0002723900000000, 0.0002536900000000, 0.0001308600000000 ] - [ 0.0004663500000000, -0.0000299200000000, 0.0024754400000000 ] - [ 0.0003733800000000, 0.0000513900000000, -0.0001383800000000 ] - [ 0.0005130200000000, 0.0001601000000000, 0.0003586900000000 ] - [ -0.0001606300000000, 0.0003084700000000, 0.0000150500000000 ] - [ -0.0000380300000000, 0.0001398000000000, -0.0001282500000000 ] - [ -0.0002173900000000, -0.0003264800000000, 0.0000139300000000 ] - [ -0.0001904100000000, 0.0001559300000000, -0.0011133500000000 ] - [ 0.0002596400000000, -0.0000116300000000, -0.0003164900000000 ] - [ -0.0032189600000000, -0.0000974500000000, 0.0000180000000000 ] - [ -0.0001073800000000, -0.0000903100000000, -0.0002028900000000 ] - [ -0.0001158100000000, 0.0002105600000000, -0.0000059600000000 ] - [ -0.0000439300000000, -0.0002495000000000, 0.0001357000000000 ] - [ 0.0012580900000000, -0.0001169900000000, 0.0000531100000000 ] - [ -0.0001964200000000, 0.0001807700000000, -0.0003232900000000 ] - [ 0.0000862400000000, 0.0000243400000000, -0.0001525200000000 ] - [ -0.0001455800000000, 0.0001892600000000, 0.0001374300000000 ] - [ 0.0001375200000000, 0.0000402500000000, -0.0001929000000000 ] - [ -0.0001643400000000, -0.0002922500000000, -0.0009018900000000 ] - [ 0.0000273100000000, -0.0004145300000000, 0.0003010500000000 ] - [ -0.0028625100000000, 0.0004251100000000, 0.0002294800000000 ] - [ -0.0001526100000000, 0.0001988900000000, -0.0002737900000000 ] - [ 0.0002235000000000, 0.0004802000000000, 0.0002176200000000 ] - [ 0.0002405500000000, 0.0000389600000000, 0.0001748400000000 ] - [ -0.0001154300000000, -0.0002044100000000, -0.0000034900000000 ] - [ 0.0012448600000000, -0.0011725600000000, -0.0004088500000000 ] - [ -0.0003330500000000, -0.0001368700000000, 0.0005243800000000 ] - [ 0.0001447700000000, 0.0000030600000000, 0.0000930500000000 ] - [ 0.0001761700000000, -0.0000334900000000, -0.0002438700000000 ] - [ -0.0001499900000000, -0.0002203700000000, 0.0000388000000000 ] - [ 0.0003314200000000, -0.0001953300000000, -0.0000662800000000 ] - [ 0.0008407200000000, -0.0006097300000000, 0.0002982900000000 ] - [ 0.0046355100000000, 0.0000361400000000, -0.0010582200000000 ] - [ 0.0000435100000000, -0.0000028300000000, -0.0000296300000000 ] - [ -0.0000597800000000, -0.0004425300000000, -0.0007127500000000 ] - [ 0.0001121600000000, 0.0003019400000000, 0.0001300000000000 ] - [ 0.0006594500000000, -0.0000011000000000, -0.0000799400000000 ] - [ -0.0014912300000000, 0.0015584200000000, 0.0008144500000000 ] - [ -0.0000347000000000, 0.0000604100000000, -0.0003573800000000 ] - [ -0.0001677300000000, 0.0001856500000000, -0.0002433500000000 ] - [ -0.0000923500000000, 0.0000696700000000, -0.0002289000000000 ] - [ -0.0003209600000000, -0.0000551000000000, 0.0001291200000000 ] - [ -0.0000227100000000, -0.0000312800000000, 0.0001225900000000 ] - [ 0.0002574500000000, -0.0002662600000000, -0.0002468800000000 ] - [ 0.0007984700000000, 0.0005764000000000, 0.0002986000000000 ] - [ -0.0857345400000000, 0.0000210400000000, 0.0021613500000000 ] - [ 0.0002017500000000, -0.0002334800000000, -0.0004246900000000 ] - [ 0.0008267000000000, -0.0021752900000000, 0.0007396200000000 ] - [ -0.0009757700000000, -0.0011376000000000, 0.0003145700000000 ] - [ 0.0010335800000000, 0.0000018800000000, -0.0014852300000000 ] - [ -0.0000976900000000, 0.0002752000000000, -0.0002024600000000 ] - [ 0.0006871800000000, 0.0021042300000000, 0.0007278800000000 ] - [ -0.0000083400000000, 0.0011699300000000, -0.0000095100000000 ] - [ -0.0020389700000000, -0.0000063700000000, -0.0003547800000000 ] - [ 0.0000120200000000, -0.0012238600000000, 0.0000839800000000 ] - [ 0.0001692200000000, -0.0003044000000000, 0.0002716200000000 ] - [ -0.0011157000000000, -0.0008379200000000, 0.0007405700000000 ] - [ -0.0002446900000000, 0.0000711900000000, 0.0001471200000000 ] - [ 0.0003351200000000, 0.0005112800000000, 0.0001293100000000 ] - [ 0.0000667800000000, 0.0001140200000000, -0.0002985400000000 ] - [ 0.0001107700000000, 0.0001378300000000, -0.0000867000000000 ] - [ -0.0001718500000000, 0.0000255600000000, -0.0000873100000000 ] - [ 0.0001665700000000, 0.0001322800000000, -0.0002936300000000 ] - [ 0.0000454800000000, -0.0002755700000000, -0.0000030600000000 ] - [ -0.0000414200000000, -0.0000257800000000, 0.0002176600000000 ] - [ -0.0003584500000000, -0.0000613500000000, 0.0001678900000000 ] - [ 0.0014174300000000, 0.0000042200000000, 0.0006545500000000 ] - [ -0.0011711800000000, -0.0000272600000000, -0.0009192300000000 ] - [ 0.0001167700000000, -0.0001287000000000, -0.0003267700000000 ] - [ 0.0764535600000000, -0.0001447600000000, -0.0021796600000000 ] - [ -0.0001666500000000, 0.0000189500000000, -0.0003093300000000 ] - [ 0.0005205300000000, 0.0009019700000000, -0.0004994100000000 ] - [ -0.0001695900000000, -0.0000882800000000, 0.0002556300000000 ] - [ 0.0000523600000000, 0.0001569300000000, -0.0001299000000000 ] - [ -0.0041652300000000, 0.0006252700000000, -0.0432661600000000 ] - [ -0.0000450800000000, 0.0000747600000000, -0.0000073600000000 ] - [ -0.0000491400000000, -0.0001591500000000, -0.0003366600000000 ] - [ -0.0000639400000000, 0.0000900100000000, -0.0001546800000000 ] - [ -0.0001011900000000, 0.0000521400000000, 0.0002323900000000 ] - [ -0.0012302200000000, 0.0007504900000000, 0.0003185000000000 ] - [ -0.0003072200000000, 0.0001529000000000, -0.0000911200000000 ] - [ 0.0000159100000000, 0.0000230500000000, -0.0000544900000000 ] - [ 0.0105367800000000, 0.0091121000000000, 0.0220774200000000 ] - [ -0.0001235200000000, -0.0000017400000000, 0.0005772500000000 ] - [ -0.0007325200000000, 0.0004032500000000, -0.0004050600000000 ] - [ 0.0001602600000000, 0.0000271600000000, 0.0002658500000000 ] - [ -0.0001948700000000, 0.0000135500000000, -0.0001645700000000 ] - [ 0.0000331000000000, -0.0001281400000000, -0.0002969500000000 ] - [ -0.0003451600000000, -0.0000143500000000, -0.0001193100000000 ] - [ 0.0001106300000000, 0.0002505100000000, -0.0001130900000000 ] - [ -0.0001001700000000, 0.0000800800000000, -0.0001626800000000 ] - [ 0.0107794400000000, -0.0090780800000000, 0.0218310300000000 ] - [ -0.0001092800000000, 0.0008610400000000, -0.0007106200000000 ] - [ 0.0000162700000000, -0.0000679700000000, 0.0000525300000000 ] - [ -0.0003285600000000, -0.0000528400000000, 0.0005119700000000 ] - [ -0.0001648600000000, -0.0000017100000000, -0.0003249000000000 ] - [ -0.0007525400000000, 0.0007539400000000, 0.0002873000000000 ] - [ -0.0006695000000000, -0.0002544200000000, 0.0000392100000000 ] - [ 0.0002389500000000, -0.0003243900000000, -0.0001447800000000 ] - [ 0.0001695000000000, -0.0000692800000000, -0.0002884200000000 ] - [ -0.0035280400000000, -0.0001031500000000, 0.0020364500000000 ] - [ 0.0000352600000000, -0.0008189300000000, -0.0002950700000000 ] - [ -0.0001278700000000, 0.0001200700000000, 0.0001193500000000 ] - [ -0.0005682800000000, -0.0000021100000000, 0.0013240800000000 ] - [ 0.0001524600000000, 0.0000486800000000, -0.0003333700000000 ] - [ -0.0000493400000000, 0.0005341800000000, -0.0000042700000000 ] - [ -0.0001500500000000, -0.0001018400000000, -0.0002884400000000 ] - [ -0.0000388400000000, -0.0000300800000000, -0.0001752800000000 ] - [ -0.0007299200000000, -0.0000057000000000, 0.0004761700000000 ] - [ -0.0000233000000000, 0.0000019800000000, 0.0000834800000000 ] - [ 0.0002767700000000, -0.0002792100000000, -0.0006440500000000 ] - [ -0.0001393000000000, -0.0009913600000000, 0.0003964900000000 ] - [ 0.0001554600000000, -0.0000083400000000, 0.0000082300000000 ] - [ 0.0004537600000000, -0.0010318300000000, 0.0000190400000000 ] - [ -0.0001133900000000, -0.0000647100000000, 0.0001669100000000 ] - [ -0.0000674700000000, -0.0001387900000000, 0.0000082500000000 ] - [ 0.0001647000000000, 0.0001851700000000, -0.0001676400000000 ] - [ -0.0002049300000000, -0.0009120000000000, -0.0007064300000000 ] - [ -0.0001782900000000, -0.0000856800000000, -0.0001055400000000 ] - [ -0.0001046200000000, -0.0015293900000000, -0.0010113100000000 ] - [ 0.0000042700000000, 0.0000770300000000, 0.0009427000000000 ] - [ 0.0001887100000000, -0.0006471600000000, -0.0005820400000000 ] - [ 0.0001547200000000, 0.0006724300000000, -0.0005863600000000 ] - [ 0.0001199600000000, -0.0002527900000000, -0.0001164400000000 ] - [ 0.0000858500000000, 0.0001823800000000, -0.0003384800000000 ] - [ -0.0007987100000000, 0.0001794500000000, -0.0003736200000000 ] - [ 0.0000270200000000, -0.0002099200000000, -0.0002944000000000 ] - [ 0.0004727700000000, -0.0004671400000000, -0.0002587700000000 ] - [ 0.0001608100000000, 0.0007284100000000, -0.0001246100000000 ] - [ -0.0002657300000000, -0.0002152900000000, 0.0001119900000000 ] - [ -0.0003382600000000, 0.0000576700000000, 0.0005132100000000 ] - [ 0.0005197700000000, -0.0000454000000000, 0.0002281400000000 ] - [ 0.0000093500000000, -0.0000220000000000, -0.0000171400000000 ] - [ -0.0000130500000000, -0.0000104800000000, -0.0000903600000000 ] - [ 0.0002007200000000, 0.0011809600000000, 0.0000244200000000 ] - [ 0.0007624500000000, 0.0000122700000000, 0.0000923200000000 ] - [ -0.0008561600000000, -0.0006805200000000, 0.0002655300000000 ] - [ -0.0016984200000000, 0.0000579100000000, 0.0006195900000000 ] - [ -0.0002510000000000, 0.0015080200000000, -0.0006032800000000 ] - [ -0.0000302500000000, -0.0000459600000000, -0.0000231600000000 ] - [ -0.0005113700000000, -0.0009973700000000, 0.0003800000000000 ] - [ -0.0000252700000000, -0.0000060000000000, 0.0000345000000000 ] - [ -0.0002228000000000, 0.0001566600000000, 0.0003513200000000 ] - [ -0.0001631000000000, 0.0000916700000000, 0.0000037600000000 ] - [ 0.0000100500000000, -0.0000175600000000, 0.0001064300000000 ] - [ -0.0002070700000000, -0.0001389300000000, 0.0000169200000000 ] - [ 0.0001165200000000, 0.0000509100000000, 0.0003458400000000 ] - [ 0.0001501000000000, 0.0000374500000000, -0.0000175000000000 ] - [ 0.0000455000000000, 0.0000150500000000, -0.0003458100000000 ] - [ -0.0001001400000000, 0.0000008900000000, -0.0000237300000000 ] - [ 0.0013863100000000, 0.0000451400000000, 0.0001197200000000 ] - [ -0.0000252700000000, -0.0000030400000000, -0.0003498500000000 ] - [ -0.0001386300000000, -0.0002047700000000, -0.0001911400000000 ] - [ -0.0000088700000000, -0.0000019000000000, -0.0003505700000000 ] - [ -0.0002518000000000, 0.0008023300000000, 0.0003574100000000 ] - [ -0.0000012200000000, 0.0000130600000000, 0.0001065800000000 ] - [ -0.0017840600000000, 0.0001056600000000, -0.0004258400000000 ]- atom: 102 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0025078000000000, 0.0010437100000000, 0.0031367200000000 ] - [ -0.0000634800000000, 0.0003746200000000, 0.0008480600000000 ] - [ -0.0022137900000000, -0.0017591800000000, 0.0027529400000000 ] - [ -0.0000747000000000, -0.0004033500000000, 0.0006174700000000 ] - [ -0.0003682900000000, 0.0000960100000000, -0.0009637000000000 ] - [ -0.0001027700000000, -0.0001903900000000, -0.0006908400000000 ] - [ 0.0002233800000000, 0.0000223100000000, -0.0006929400000000 ] - [ -0.0001380200000000, -0.0002390500000000, -0.0008324700000000 ] - [ -0.0004682300000000, 0.0005038300000000, 0.0000817500000000 ] - [ -0.0000799200000000, 0.0001041400000000, -0.0008998100000000 ] - [ -0.0001862300000000, 0.0003414700000000, 0.0006135800000000 ] - [ 0.0002134300000000, -0.0003009400000000, -0.0008401900000000 ] - [ -0.0001413000000000, -0.0002685200000000, -0.0009508200000000 ] - [ -0.0004136900000000, -0.0004559000000000, 0.0002951400000000 ] - [ 0.0001506600000000, 0.0002211700000000, -0.0008443800000000 ] - [ 0.0010161300000000, 0.0017599900000000, 0.0012925700000000 ] - [ 0.0003561700000000, 0.0001323400000000, 0.0008480600000000 ] - [ 0.0003888400000000, 0.0000094500000000, 0.0006135800000000 ] - [ -0.0005976800000000, 0.0010742000000000, -0.0015839700000000 ] - [ -0.0001440600000000, 0.0002772600000000, -0.0009515200000000 ] - [ 0.0001301500000000, -0.0000171500000000, -0.0008998100000000 ] - [ 0.0012291200000000, 0.0000194900000000, -0.0015839700000000 ] - [ -0.0019389000000000, 0.0014695600000000, 0.0030839800000000 ] - [ -0.0004166000000000, -0.0027967900000000, 0.0027529400000000 ] - [ 0.0000234600000000, 0.0000537400000000, -0.0000549700000000 ] - [ -0.0001619000000000, -0.0002566300000000, -0.0009508200000000 ] - [ -0.0000392000000000, 0.0000946500000000, -0.0008064200000000 ] - [ -0.0001879800000000, -0.0005862200000000, 0.0002951400000000 ] - [ -0.0003500300000000, 0.0026936700000000, 0.0031367200000000 ] - [ -0.0001215200000000, 0.0006628900000000, 0.0002682600000000 ] - [ 0.0003663800000000, -0.0000102900000000, -0.0006609700000000 ] - [ 0.0002672900000000, -0.0002709400000000, -0.0009637000000000 ] - [ 0.0006348400000000, 0.0002262100000000, 0.0002682600000000 ] - [ -0.0019484200000000, -0.0000813000000000, -0.0029643100000000 ] - [ 0.0001323500000000, 0.0000570400000000, -0.0007213400000000 ] - [ -0.0003119600000000, -0.0002663700000000, 0.0006174700000000 ] - [ -0.0001921000000000, 0.0003121500000000, -0.0006609700000000 ] - [ -0.0000167800000000, 0.0001431400000000, -0.0007213400000000 ] - [ -0.0001436600000000, -0.0002488300000000, -0.0008920100000000 ] - [ 0.0008881500000000, 0.0015383100000000, -0.0032269800000000 ] - [ 0.0003121400000000, 0.0000138700000000, -0.0009515200000000 ] - [ -0.0020098200000000, -0.0000930500000000, 0.0006047200000000 ] - [ 0.0000361200000000, 0.0000625700000000, -0.0010627700000000 ] - [ -0.0000923700000000, 0.0002046100000000, -0.0006929400000000 ] - [ -0.0000124100000000, -0.0000212500000000, -0.0003116700000000 ] - [ -0.0000011300000000, -0.0001325300000000, 0.0017973500000000 ] - [ -0.0000929400000000, 0.0001109800000000, -0.0012032500000000 ] - [ -0.0000121900000000, -0.0000213700000000, -0.0003116700000000 ] - [ -0.0000974800000000, -0.0000206800000000, -0.0002965200000000 ] - [ 0.0001015700000000, 0.0000133800000000, -0.0008064200000000 ] - [ 0.0009038100000000, -0.0017280300000000, -0.0029643100000000 ] - [ -0.0001142100000000, -0.0000672400000000, 0.0017973500000000 ] - [ 0.0009243300000000, -0.0017870800000000, 0.0006047200000000 ] - [ 0.0001162100000000, 0.0002410600000000, -0.0008443800000000 ] - [ 0.0001431400000000, 0.0002479200000000, 0.0015474800000000 ] - [ 0.0000308300000000, -0.0000947600000000, -0.0002965200000000 ] - [ -0.0001135000000000, -0.0001842000000000, -0.0006908400000000 ] - [ 0.0022421300000000, -0.0009443500000000, 0.0030839800000000 ] - [ -0.0006322800000000, -0.0010951400000000, -0.0013257800000000 ] - [ 0.0000348100000000, 0.0000471800000000, -0.0000549700000000 ] - [ 0.0001425900000000, -0.0000250000000000, -0.0012032500000000 ] - [ -0.0003673400000000, 0.0000343600000000, -0.0008401900000000 ] - [ 0.0006704500000000, -0.0001535800000000, 0.0000817500000000 ] - [ 0.0000196900000000, -0.0000063000000000, 0.0037791500000000 ] - [ 0.0074837900000000, 0.0000172100000000, 0.0056385100000000 ] - [ 0.0001422700000000, -0.0000004000000000, -0.0019925000000000 ] - [ 0.0010252500000000, -0.0018387800000000, -0.0022887000000000 ] - [ 0.0000218100000000, 0.0000377800000000, -0.0020308100000000 ] - [ -0.0021050600000000, -0.0000315000000000, -0.0022887000000000 ] - [ -0.0012617500000000, -0.0021854200000000, -0.0010270600000000 ] - [ -0.0000648400000000, -0.0001123100000000, -0.0024485900000000 ] - [ 0.0001801200000000, 0.0003119800000000, -0.0054375800000000 ] - [ -0.0002287300000000, -0.0000019400000000, -0.0012688100000000 ] - [ -0.0003874300000000, 0.0001993600000000, -0.0020209700000000 ] - [ -0.0000714800000000, 0.0001230100000000, -0.0019925000000000 ] - [ 0.0001126900000000, -0.0001990600000000, -0.0012688100000000 ] - [ -0.0000153000000000, 0.0000139000000000, 0.0037791500000000 ] - [ -0.0010256300000000, -0.0017764400000000, 0.3491506300000000 ] - [ 0.0003663700000000, -0.0002358400000000, -0.0020209700000000 ] - [ -0.0037269900000000, 0.0064897500000000, 0.0056385100000000 ] - [ -0.0010304200000000, 0.0017602100000000, -0.0003335300000000 ] - [ 0.0020396000000000, -0.0000122700000000, -0.0003335300000000 ] - [ 0.0007596200000000, 0.0013157000000000, -0.0010800400000000 ] - [ -0.0037710600000000, -0.0065316700000000, 0.0057255100000000 ] - [ -0.0005831900000000, 0.0010248700000000, -0.0016467200000000 ] - [ 0.0011791600000000, 0.0000073800000000, -0.0016467200000000 ] - [ -0.0003006800000000, -0.0005208000000000, -0.0017345800000000 ] - [ 0.0001872800000000, -0.0007034900000000, 0.0006662000000000 ] - [ -0.0014782700000000, -0.0007222300000000, -0.0005595100000000 ] - [ -0.0001865300000000, 0.0001014300000000, -0.0009408200000000 ] - [ 0.0006313500000000, -0.0011002700000000, 0.0000157500000000 ] - [ -0.0000452400000000, -0.0000943700000000, 0.0003898700000000 ] - [ 0.0000371300000000, 0.0000643100000000, 0.0006998000000000 ] - [ 0.0001800800000000, -0.0000209100000000, 0.0006656800000000 ] - [ -0.0000092600000000, -0.0001835400000000, 0.0004273100000000 ] - [ -0.0004387800000000, -0.0007599900000000, 0.0003096700000000 ] - [ 0.0000703400000000, -0.0000009600000000, 0.0007895900000000 ] - [ -0.0001239100000000, -0.0003292200000000, -0.0009594800000000 ] - [ 0.0015854900000000, 0.0012034100000000, 0.0011451200000000 ] - [ 0.0008487000000000, -0.0000052800000000, 0.0007414300000000 ] - [ 0.0000353300000000, -0.0000172100000000, 0.0004365200000000 ] - [ 0.0011989600000000, 0.0020766600000000, -0.4406345500000000 ] - [ -0.0000325700000000, 0.0000219900000000, 0.0004365200000000 ] - [ 0.0003577800000000, 0.0011983500000000, -0.0001429300000000 ] - [ -0.0007028800000000, -0.0001895600000000, 0.0006662000000000 ] - [ 0.0001304500000000, 0.0001529900000000, 0.0003417300000000 ] - [ 0.0164232900000000, -0.0002674400000000, 0.0253199900000000 ] - [ -0.0001480800000000, 0.0003789900000000, 0.0007668500000000 ] - [ 0.0000388300000000, 0.0000672600000000, 0.0011123600000000 ] - [ -0.0001543200000000, -0.0000997900000000, 0.0004273100000000 ] - [ -0.0000360000000000, 0.0000604300000000, 0.0007895900000000 ] - [ -0.0015684800000000, 0.0006187800000000, -0.0009680100000000 ] - [ -0.0000615800000000, 0.0000830100000000, -0.0024287700000000 ] - [ 0.0000460600000000, -0.0000778700000000, 0.0013433500000000 ] - [ -0.0084432600000000, 0.0140892700000000, 0.0253199900000000 ] - [ 0.0004195100000000, 0.0000042800000000, 0.0021830600000000 ] - [ 0.0013201200000000, -0.0010489600000000, -0.0009680100000000 ] - [ -0.0004334000000000, -0.0007506800000000, 0.0008070800000000 ] - [ -0.0000622100000000, 0.0000124100000000, 0.0002810100000000 ] - [ -0.0000900900000000, 0.0000752100000000, 0.0003923400000000 ] - [ -0.0001938800000000, 0.0000029200000000, 0.0003422400000000 ] - [ 0.0000672700000000, 0.0001894700000000, 0.0003417300000000 ] - [ -0.0000896200000000, 0.0000660600000000, 0.0004728300000000 ] - [ -0.0078357800000000, -0.0135719800000000, 0.0243863300000000 ] - [ 0.0005051400000000, -0.0007371300000000, -0.0040009100000000 ] - [ -0.0001081500000000, 0.0001455000000000, 0.0006656800000000 ] - [ -0.0010227000000000, -0.0002423800000000, 0.0004032100000000 ] - [ 0.0001101800000000, -0.0000404200000000, 0.0003923400000000 ] - [ 0.0001811000000000, -0.0001108200000000, -0.0009408200000000 ] - [ 0.0013063700000000, 0.0012026500000000, -0.0005853500000000 ] - [ -0.0003063600000000, 0.0004243400000000, 0.0013895600000000 ] - [ 0.0001020200000000, -0.0000445900000000, 0.0004728300000000 ] - [ -0.0071147600000000, -0.0000602400000000, 0.0003393600000000 ] - [ 0.0002494400000000, 0.0019747800000000, 0.0011451200000000 ] - [ -0.0002356300000000, 0.0001045100000000, 0.0011063100000000 ] - [ -0.0012685400000000, -0.0000033700000000, 0.0000157500000000 ] - [ 0.0002083200000000, -0.0001518000000000, 0.0011063100000000 ] - [ 0.0003530000000000, -0.0006198200000000, 0.0004016700000000 ] - [ 0.0001674300000000, -0.0000331600000000, 0.0004309000000000 ] - [ 0.0000418500000000, -0.0000476700000000, 0.0002810100000000 ] - [ -0.0007132800000000, -0.0000042000000000, 0.0004016700000000 ] - [ -0.0000904700000000, 0.0000009500000000, 0.0013433500000000 ] - [ 0.0002114100000000, 0.0003661800000000, 0.0007248100000000 ] - [ 0.0002483000000000, 0.0004300700000000, 0.0001355000000000 ] - [ 0.0004022600000000, 0.0000612500000000, 0.0007668500000000 ] - [ 0.0003883400000000, 0.0017326700000000, -0.0005853500000000 ] - [ 0.0001438900000000, 0.0001496500000000, -0.0009616900000000 ] - [ -0.0001484200000000, -0.0002570800000000, 0.0007016600000000 ] - [ -0.0003304200000000, -0.0005723000000000, 0.0012777600000000 ] - [ 0.0004009600000000, 0.0006944800000000, -0.0040109200000000 ] - [ 0.0001026800000000, -0.0000118200000000, -0.0024287700000000 ] - [ 0.0036284600000000, 0.0062846800000000, -0.0001883100000000 ] - [ -0.0002060500000000, 0.0003654400000000, 0.0021830600000000 ] - [ 0.0009046900000000, -0.0008727500000000, -0.0001417700000000 ] - [ 0.0008589100000000, 0.0009090300000000, -0.0001429300000000 ] - [ 0.0000994700000000, -0.0001664500000000, 0.0003422400000000 ] - [ -0.0000591100000000, -0.0000863700000000, 0.0003898700000000 ] - [ -0.0012081700000000, 0.0003471100000000, -0.0001417700000000 ] - [ -0.0001124400000000, 0.0001284200000000, 0.0004309000000000 ] - [ -0.0004289200000000, 0.0007323600000000, 0.0007414300000000 ] - [ 0.0003014400000000, -0.0010068800000000, 0.0004032100000000 ] - [ -0.0002231600000000, -0.0002719200000000, -0.0009594800000000 ] - [ -0.0010480700000000, 0.0002605900000000, 0.0004055400000000 ] - [ -0.0000395900000000, -0.0000685800000000, 0.0041405200000000 ] - [ -0.0000042000000000, -0.0000072700000000, 0.0013418900000000 ] - [ 0.0005206700000000, -0.0000531400000000, 0.0013895600000000 ] - [ 0.0001136600000000, -0.0016413300000000, -0.0005595100000000 ] - [ 0.0007497100000000, -0.0007773600000000, 0.0004055400000000 ] - [ 0.0000576500000000, 0.0001994400000000, -0.0009616900000000 ] - [ -0.0008909400000000, 0.0000689000000000, -0.0040009100000000 ] - [ 0.0035052100000000, -0.0061916800000000, 0.0003393600000000 ] - [ 0.0000196400000000, -0.0000423400000000, 0.0004296400000000 ] - [ -0.0014709300000000, -0.0025477200000000, -0.0001846200000000 ] - [ 0.0001005300000000, -0.0000097600000000, 0.0007878900000000 ] - [ -0.0004448300000000, 0.0003710600000000, 0.0007938500000000 ] - [ 0.0000144900000000, -0.0000402300000000, -0.0000436900000000 ] - [ -0.0000651100000000, -0.0001127700000000, 0.0008039500000000 ] - [ -0.0000420800000000, -0.0000075700000000, -0.0000436900000000 ] - [ -0.0000725800000000, -0.0001257100000000, 0.0007782500000000 ] - [ 0.0000463600000000, 0.0000803000000000, 0.0015318300000000 ] - [ 0.0000057900000000, 0.0000100200000000, 0.0005608900000000 ] - [ -0.0000464900000000, -0.0000041700000000, 0.0004296400000000 ] - [ -0.0001440800000000, -0.0002495500000000, 0.0090862100000000 ] - [ -0.0000142200000000, 0.0000037400000000, 0.0002744900000000 ] - [ 0.0005437700000000, -0.0001997000000000, 0.0007938500000000 ] - [ 0.0000103500000000, -0.0000104400000000, 0.0002744900000000 ] - [ -0.0011190000000000, 0.0021401400000000, -0.0002779300000000 ] - [ -0.0000587200000000, 0.0000821800000000, 0.0007878900000000 ] - [ 0.0024129200000000, 0.0001009900000000, -0.0002779300000000 ]- atom: 102 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0024588200000000, -0.0006225800000000, -0.0027391000000000 ] - [ -0.0000508600000000, -0.0001458700000000, -0.0005040400000000 ] - [ 0.0021625800000000, 0.0018739600000000, -0.0025045900000000 ] - [ 0.0000927200000000, 0.0001301200000000, -0.0003615400000000 ] - [ 0.0001238200000000, 0.0003447700000000, 0.0005294100000000 ] - [ -0.0001168200000000, -0.0001943100000000, 0.0006860900000000 ] - [ 0.0002289100000000, -0.0000164200000000, 0.0006841600000000 ] - [ -0.0001181900000000, -0.0002047100000000, 0.0004011100000000 ] - [ 0.0003422700000000, -0.0002598400000000, 0.0000263500000000 ] - [ -0.0001556600000000, 0.0002850300000000, 0.0008914500000000 ] - [ 0.0002008400000000, -0.0000538900000000, -0.0003634700000000 ] - [ -0.0003533800000000, -0.0001342300000000, 0.0005978400000000 ] - [ -0.0000579900000000, -0.0001386000000000, 0.0003581900000000 ] - [ 0.0004464600000000, 0.0003003000000000, 0.0002014300000000 ] - [ 0.0002791200000000, -0.0003295200000000, 0.0005945700000000 ] - [ -0.0012534800000000, -0.0021710900000000, -0.0007636200000000 ] - [ -0.0001009000000000, -0.0001169800000000, -0.0005040400000000 ] - [ -0.0001470900000000, 0.0001469800000000, -0.0003634700000000 ] - [ 0.0005712900000000, -0.0007849300000000, 0.0017086000000000 ] - [ -0.0000512700000000, 0.0001527300000000, 0.0003578900000000 ] - [ 0.0003246800000000, 0.0000077100000000, 0.0008914500000000 ] - [ -0.0009654100000000, 0.0001022900000000, 0.0017086000000000 ] - [ 0.0019941600000000, -0.0019065400000000, -0.0026904100000000 ] - [ 0.0005416100000000, 0.0028098300000000, -0.0025045900000000 ] - [ 0.0002535500000000, -0.0000464500000000, 0.0006564800000000 ] - [ -0.0000910400000000, -0.0001195200000000, 0.0003581900000000 ] - [ -0.0000716700000000, 0.0001146000000000, 0.0004708100000000 ] - [ 0.0000368400000000, 0.0005368000000000, 0.0002014300000000 ] - [ 0.0006902400000000, -0.0024406900000000, -0.0027391000000000 ] - [ 0.0001383600000000, -0.0005069900000000, 0.0002242200000000 ] - [ 0.0003822500000000, -0.0000016800000000, 0.0007044300000000 ] - [ 0.0002366700000000, 0.0002796100000000, 0.0005294100000000 ] - [ -0.0005082500000000, -0.0001336700000000, 0.0002242200000000 ] - [ 0.0020861800000000, -0.0000258600000000, 0.0034712500000000 ] - [ 0.0003030800000000, 0.0000463300000000, 0.0004698300000000 ] - [ 0.0000663300000000, 0.0001453600000000, -0.0003615400000000 ] - [ -0.0001925900000000, 0.0003302000000000, 0.0007044300000000 ] - [ -0.0001114100000000, 0.0002856400000000, 0.0004698300000000 ] - [ -0.0002341300000000, -0.0004055300000000, 0.0009323700000000 ] - [ -0.0010225900000000, -0.0017711700000000, 0.0033574300000000 ] - [ 0.0001579000000000, 0.0000319600000000, 0.0003578900000000 ] - [ 0.0024736900000000, -0.0000894700000000, -0.0001465600000000 ] - [ -0.0001478300000000, -0.0002560500000000, 0.0007221600000000 ] - [ -0.0001286800000000, 0.0001900300000000, 0.0006841600000000 ] - [ -0.0000184300000000, -0.0002800200000000, 0.0004229100000000 ] - [ 0.0003391000000000, -0.0001175500000000, -0.0013877200000000 ] - [ -0.0001950400000000, 0.0002551800000000, 0.0006128800000000 ] - [ -0.0002332900000000, -0.0001559700000000, 0.0004229100000000 ] - [ -0.0001358100000000, 0.0001943800000000, 0.0004157400000000 ] - [ 0.0001350800000000, -0.0000047600000000, 0.0004708100000000 ] - [ -0.0010654900000000, 0.0017937600000000, 0.0034712500000000 ] - [ -0.0002713500000000, 0.0002348900000000, -0.0013877200000000 ] - [ -0.0013143300000000, 0.0020975400000000, -0.0001465600000000 ] - [ -0.0004249300000000, 0.0000769700000000, 0.0005945700000000 ] - [ -0.0002105700000000, -0.0003647200000000, -0.0012914200000000 ] - [ 0.0002362400000000, -0.0000204200000000, 0.0004157400000000 ] - [ -0.0001098600000000, -0.0001983300000000, 0.0006860900000000 ] - [ -0.0026481900000000, 0.0007737300000000, -0.0026904100000000 ] - [ 0.0004958600000000, 0.0008588600000000, 0.0019286200000000 ] - [ -0.0001670000000000, 0.0001963600000000, 0.0006564800000000 ] - [ 0.0003185100000000, -0.0000413200000000, 0.0006128800000000 ] - [ 0.0000604400000000, -0.0003731500000000, 0.0005978400000000 ] - [ -0.0003961700000000, 0.0001664900000000, 0.0000263500000000 ] - [ 0.0000330700000000, -0.0000858600000000, -0.0032075000000000 ] - [ -0.0075744700000000, 0.0000962500000000, -0.0054069700000000 ] - [ -0.0001360200000000, -0.0000053100000000, 0.0021651000000000 ] - [ -0.0010265900000000, 0.0018418900000000, 0.0013059700000000 ] - [ 0.0002596700000000, 0.0004497500000000, 0.0019348300000000 ] - [ 0.0021084200000000, 0.0000318900000000, 0.0013059700000000 ] - [ 0.0012695200000000, 0.0021988800000000, 0.0019318600000000 ] - [ 0.0000648100000000, 0.0001122500000000, 0.0017820500000000 ] - [ 0.0000570600000000, 0.0000988400000000, 0.0049962100000000 ] - [ -0.0002377100000000, 0.0000011200000000, 0.0008020900000000 ] - [ -0.0001782000000000, -0.0002001000000000, 0.0019243800000000 ] - [ 0.0000634100000000, -0.0001204600000000, 0.0021651000000000 ] - [ 0.0001198300000000, -0.0002053000000000, 0.0008020900000000 ] - [ -0.0000908900000000, -0.0000142900000000, -0.0032075000000000 ] - [ 0.0011895800000000, 0.0020604100000000, -0.3748059600000000 ] - [ -0.0000842000000000, -0.0002543700000000, 0.0019243800000000 ] - [ 0.0038705900000000, -0.0065115600000000, -0.0054069700000000 ] - [ 0.0010519500000000, -0.0017800100000000, -0.0002629100000000 ] - [ -0.0020675100000000, 0.0000210100000000, -0.0002629100000000 ] - [ -0.0007608900000000, -0.0013179000000000, 0.0017865100000000 ] - [ 0.0037139800000000, 0.0064328000000000, -0.0054908600000000 ] - [ 0.0005895900000000, -0.0010423700000000, 0.0014091400000000 ] - [ -0.0011975200000000, -0.0000105900000000, 0.0014091400000000 ] - [ 0.0003111700000000, 0.0005389600000000, 0.0020700300000000 ] - [ -0.0000692500000000, 0.0005034900000000, -0.0004077800000000 ] - [ 0.0019062400000000, 0.0008967300000000, 0.0011198400000000 ] - [ 0.0008165100000000, -0.0001065500000000, 0.0013624100000000 ] - [ -0.0006354100000000, 0.0011049100000000, 0.0010475300000000 ] - [ 0.0002442200000000, 0.0003731300000000, -0.0010465700000000 ] - [ 0.0001166400000000, 0.0002020300000000, -0.0007990400000000 ] - [ -0.0004790000000000, 0.0000286500000000, -0.0007636200000000 ] - [ 0.0002744900000000, 0.0003328500000000, -0.0009323200000000 ] - [ 0.0004378000000000, 0.0007582900000000, -0.0011260700000000 ] - [ 0.0000135100000000, -0.0000034900000000, -0.0003398800000000 ] - [ -0.0003756600000000, 0.0007204700000000, 0.0013300800000000 ] - [ -0.0004804200000000, -0.0012049700000000, -0.0003522400000000 ] - [ -0.0025195500000000, -0.0000482000000000, -0.0017057700000000 ] - [ 0.0001674800000000, -0.0002617800000000, -0.0010938700000000 ] - [ -0.0014035100000000, -0.0024309600000000, 0.4677906400000000 ] - [ -0.0003104500000000, 0.0000141500000000, -0.0010938700000000 ] - [ 0.0005143500000000, 0.0002132000000000, -0.0008207700000000 ] - [ 0.0004706600000000, 0.0001917800000000, -0.0004077800000000 ] - [ 0.0001447900000000, 0.0002972800000000, -0.0005893800000000 ] - [ -0.0163382700000000, 0.0005153500000000, -0.0255094400000000 ] - [ 0.0000246400000000, -0.0001663200000000, -0.0007629700000000 ] - [ -0.0001717300000000, -0.0002974400000000, -0.0014922300000000 ] - [ 0.0001510100000000, 0.0004041400000000, -0.0009323200000000 ] - [ -0.0000097800000000, 0.0000099600000000, -0.0003398800000000 ] - [ 0.0017971900000000, -0.0010035400000000, 0.0006442900000000 ] - [ -0.0000330100000000, 0.0000661800000000, 0.0022472000000000 ] - [ -0.0000440900000000, 0.0000811100000000, -0.0013766200000000 ] - [ 0.0086154400000000, -0.0138916800000000, -0.0255094400000000 ] - [ -0.0004231500000000, -0.0000082000000000, -0.0005540400000000 ] - [ -0.0017676900000000, 0.0010546400000000, 0.0006442900000000 ] - [ 0.0005511200000000, 0.0009545700000000, -0.0005504000000000 ] - [ -0.0001521900000000, -0.0000210300000000, -0.0006149100000000 ] - [ 0.0002264800000000, -0.0003802100000000, -0.0010456600000000 ] - [ -0.0003348400000000, 0.0000055600000000, -0.0005891400000000 ] - [ 0.0001850500000000, 0.0002740300000000, -0.0005893800000000 ] - [ -0.0001657700000000, 0.0000973300000000, -0.0009800500000000 ] - [ 0.0077504500000000, 0.0134241700000000, -0.0244978800000000 ] - [ -0.0003781500000000, 0.0007485700000000, 0.0034920700000000 ] - [ 0.0002643100000000, -0.0004005000000000, -0.0007636200000000 ] - [ 0.0009490000000000, 0.0000946900000000, -0.0000938800000000 ] - [ -0.0004425100000000, 0.0000060300000000, -0.0010456600000000 ] - [ -0.0005005300000000, 0.0006538400000000, 0.0013624100000000 ] - [ -0.0016770500000000, -0.0009256700000000, 0.0011462100000000 ] - [ 0.0005677500000000, -0.0009124800000000, -0.0016439700000000 ] - [ 0.0001671700000000, -0.0000948900000000, -0.0009800500000000 ] - [ 0.0067719400000000, -0.0002131300000000, 0.0002205000000000 ] - [ -0.0008033300000000, -0.0010185500000000, -0.0003522400000000 ] - [ 0.0001062100000000, 0.0001351100000000, -0.0014824600000000 ] - [ 0.0012745900000000, 0.0000021800000000, 0.0010475300000000 ] - [ 0.0000639100000000, 0.0001595300000000, -0.0014824600000000 ] - [ -0.0004432200000000, 0.0007818200000000, -0.0000958600000000 ] - [ -0.0004259200000000, -0.0001220700000000, -0.0009353600000000 ] - [ 0.0000578800000000, -0.0001423100000000, -0.0006149100000000 ] - [ 0.0008986900000000, 0.0000070700000000, -0.0000958600000000 ] - [ 0.0000922900000000, 0.0000023700000000, -0.0013766200000000 ] - [ -0.0002107800000000, -0.0003650800000000, -0.0016133600000000 ] - [ -0.0008051500000000, -0.0013945600000000, 0.0006632700000000 ] - [ -0.0001563600000000, -0.0000618200000000, -0.0007629700000000 ] - [ 0.0000368700000000, -0.0019152000000000, 0.0011462100000000 ] - [ -0.0002194400000000, -0.0007702100000000, 0.0013323700000000 ] - [ 0.0000271900000000, 0.0000471000000000, -0.0006984800000000 ] - [ 0.0004351100000000, 0.0007536400000000, -0.0016158200000000 ] - [ -0.0004636500000000, -0.0008030700000000, 0.0035006700000000 ] - [ 0.0000738200000000, 0.0000045000000000, 0.0022472000000000 ] - [ -0.0034065400000000, -0.0059003000000000, -0.0001357700000000 ] - [ 0.0002044700000000, -0.0003705600000000, -0.0005540400000000 ] - [ -0.0000368500000000, -0.0005469100000000, -0.0008216400000000 ] - [ -0.0000725400000000, 0.0005520400000000, -0.0008207700000000 ] - [ 0.0001722300000000, -0.0002872000000000, -0.0005891400000000 ] - [ 0.0002010300000000, 0.0003980700000000, -0.0010465700000000 ] - [ -0.0004552100000000, -0.0003053700000000, -0.0008216400000000 ] - [ 0.0001072400000000, -0.0004299000000000, -0.0009353600000000 ] - [ 0.0012180300000000, -0.0022060900000000, -0.0017057700000000 ] - [ -0.0003925000000000, 0.0008692000000000, -0.0000938800000000 ] - [ 0.0008117800000000, 0.0000349000000000, 0.0013300800000000 ] - [ 0.0009693000000000, -0.0001246900000000, -0.0000944600000000 ] - [ -0.0000053300000000, -0.0000092300000000, -0.0037011300000000 ] - [ 0.0000011000000000, 0.0000019000000000, -0.0014349400000000 ] - [ -0.0010741100000000, 0.0000354500000000, -0.0016439700000000 ] - [ -0.0001765300000000, 0.0020992200000000, 0.0011198400000000 ] - [ -0.0005926400000000, 0.0007771000000000, -0.0000944600000000 ] - [ -0.0005573000000000, -0.0005751500000000, 0.0013323700000000 ] - [ 0.0008373600000000, 0.0000468000000000, 0.0034920700000000 ] - [ -0.0035705400000000, 0.0057581000000000, 0.0002205000000000 ] - [ 0.0000223900000000, -0.0000429000000000, -0.0004798300000000 ] - [ 0.0013647900000000, 0.0023638900000000, 0.0003754600000000 ] - [ -0.0001039200000000, -0.0000085700000000, -0.0006311900000000 ] - [ -0.0000141600000000, -0.0003676400000000, -0.0004624900000000 ] - [ 0.0000122300000000, -0.0000073200000000, 0.0000872100000000 ] - [ 0.0000631800000000, 0.0001094400000000, -0.0006486300000000 ] - [ -0.0000124500000000, 0.0000069300000000, 0.0000872100000000 ] - [ 0.0003082900000000, 0.0005339800000000, -0.0004482600000000 ] - [ -0.0000044100000000, -0.0000076300000000, -0.0015920100000000 ] - [ 0.0000106200000000, 0.0000184000000000, -0.0012717200000000 ] - [ -0.0000483500000000, -0.0000020600000000, -0.0004798300000000 ] - [ 0.0001694000000000, 0.0002934100000000, -0.0089931000000000 ] - [ 0.0000011000000000, 0.0000036800000000, -0.0009885500000000 ] - [ -0.0003113000000000, -0.0001960900000000, -0.0004624900000000 ] - [ 0.0000026300000000, 0.0000027900000000, -0.0009885500000000 ] - [ 0.0013665900000000, -0.0021526300000000, 0.0004673200000000 ] - [ 0.0000445400000000, -0.0000942900000000, -0.0006311900000000 ] - [ -0.0025475300000000, 0.0001071900000000, 0.0004673200000000 ]- atom: 106 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000058200000000, 0.0002685000000000, 0.0002974500000000 ] - [ -0.0000870400000000, 0.0001503700000000, 0.0002124300000000 ] - [ 0.0000943500000000, 0.0000429000000000, -0.0001546800000000 ] - [ 0.0000124200000000, -0.0001583400000000, 0.0002284400000000 ] - [ 0.0072766500000000, 0.0013514100000000, 0.0005882300000000 ] - [ 0.0023245400000000, -0.0005207400000000, 0.0017113000000000 ] - [ 0.0001753000000000, 0.0005045500000000, -0.0000088600000000 ] - [ -0.0000652900000000, 0.0015791300000000, -0.0005806500000000 ] - [ 0.0002493100000000, -0.0003789300000000, -0.0003674600000000 ] - [ -0.0009867000000000, 0.0003580900000000, -0.0002253000000000 ] - [ 0.0000230400000000, 0.0001743900000000, 0.0002225800000000 ] - [ -0.0029535200000000, 0.0021778000000000, 0.0000658000000000 ] - [ 0.0000816400000000, -0.0001668100000000, -0.0004790900000000 ] - [ 0.0018066700000000, 0.0004986500000000, -0.0019106600000000 ] - [ 0.0006238500000000, -0.0006772300000000, -0.0003552000000000 ] - [ -0.0000996200000000, -0.0001273700000000, 0.0002112900000000 ] - [ 0.0002184700000000, 0.0000234100000000, 0.0002584600000000 ] - [ 0.0000963300000000, 0.0000594600000000, 0.0001793300000000 ] - [ -0.0000846800000000, 0.0001603500000000, 0.0000985400000000 ] - [ 0.0002128600000000, 0.0002141700000000, -0.0004578000000000 ] - [ -0.0005335900000000, -0.0008043100000000, 0.0005096400000000 ] - [ 0.0000754400000000, 0.0000181700000000, 0.0001750500000000 ] - [ -0.0000443900000000, -0.0003949300000000, 0.0001915200000000 ] - [ -0.0001817300000000, 0.0000211000000000, 0.0000489900000000 ] - [ 0.0001810200000000, 0.0000057100000000, 0.0003053900000000 ] - [ -0.0000150900000000, -0.0001177000000000, -0.0003626700000000 ] - [ -0.0002664900000000, 0.0003282800000000, 0.0000239000000000 ] - [ -0.0007313500000000, -0.0001663900000000, 0.0005129700000000 ] - [ 0.0002369600000000, 0.0000160200000000, 0.0003565600000000 ] - [ 0.0010854100000000, -0.0006402200000000, 0.0006206900000000 ] - [ 0.0002894500000000, -0.0000778400000000, -0.0033829400000000 ] - [ -0.0011991700000000, 0.0001465900000000, -0.0003316600000000 ] - [ 0.0001569700000000, 0.0003555800000000, 0.0002071100000000 ] - [ -0.0005078400000000, -0.0005782400000000, -0.0004208600000000 ] - [ 0.0036366600000000, -0.0026533600000000, -0.0006395800000000 ] - [ -0.0001033600000000, -0.0000453700000000, 0.0001809300000000 ] - [ 0.0001266800000000, -0.0002473100000000, 0.0002332300000000 ] - [ -0.0029233700000000, -0.0024105800000000, 0.0000422400000000 ] - [ -0.0003005900000000, -0.0003419300000000, 0.0000140800000000 ] - [ -0.0001134200000000, -0.0002619000000000, 0.0000167200000000 ] - [ 0.0001323000000000, -0.0001162400000000, -0.0003652400000000 ] - [ 0.0000874100000000, -0.0000864900000000, 0.0001731800000000 ] - [ -0.0003708600000000, -0.0002628200000000, 0.0001230100000000 ] - [ 0.0007965100000000, 0.0008357800000000, 0.0000640900000000 ] - [ -0.0000765900000000, -0.0001661500000000, 0.0000929500000000 ] - [ 0.0003531400000000, -0.0000523600000000, 0.0002210700000000 ] - [ -0.0001977600000000, 0.0000193400000000, -0.0003229600000000 ] - [ -0.0000431300000000, -0.0000543600000000, 0.0001791700000000 ] - [ -0.0000658500000000, 0.0001076000000000, 0.0001352300000000 ] - [ 0.0004247600000000, 0.0001523800000000, 0.0002187300000000 ] - [ -0.0007664200000000, 0.0002184600000000, 0.0004592900000000 ] - [ -0.0003130800000000, 0.0000272300000000, 0.0004399400000000 ] - [ -0.0001401200000000, 0.0000202000000000, 0.0001777000000000 ] - [ -0.0002637200000000, 0.0004354200000000, -0.0001677500000000 ] - [ 0.0001485100000000, 0.0000366300000000, 0.0000410600000000 ] - [ 0.0001323800000000, -0.0000147200000000, 0.0001290100000000 ] - [ -0.0008711400000000, -0.0003471300000000, -0.0002892100000000 ] - [ -0.0003138100000000, -0.0000170800000000, 0.0004247700000000 ] - [ -0.0000796200000000, -0.0001222900000000, 0.0003393600000000 ] - [ -0.0000384200000000, 0.0000743600000000, 0.0003767800000000 ] - [ 0.0000820300000000, 0.0000166900000000, -0.0004046400000000 ] - [ -0.0006658000000000, -0.0015317600000000, -0.0001751200000000 ] - [ -0.0007809400000000, 0.0001435300000000, 0.0022998000000000 ] - [ -0.0000574500000000, -0.0001322600000000, 0.0003460100000000 ] - [ 0.0000207800000000, 0.0000507200000000, 0.0001952000000000 ] - [ -0.0001629700000000, 0.0017208500000000, -0.0018151400000000 ] - [ -0.0000090700000000, -0.0000867500000000, -0.0005029900000000 ] - [ 0.0003225500000000, 0.0005535500000000, 0.0000776000000000 ] - [ 0.0000549400000000, 0.0000378800000000, -0.0005394700000000 ] - [ -0.0009308400000000, 0.0017267100000000, -0.0040378800000000 ] - [ -0.0038872800000000, 0.0045812200000000, 0.0020914700000000 ] - [ -0.0027860400000000, 0.0003877500000000, -0.0007190700000000 ] - [ 0.1429342300000000, 0.1010788800000000, -0.0445859200000000 ] - [ -0.0009641400000000, -0.0000017400000000, -0.0003512000000000 ] - [ -0.0005450700000000, -0.0018891000000000, -0.0013215600000000 ] - [ -0.0002022500000000, -0.0014374300000000, -0.0003729900000000 ] - [ 0.0004963800000000, 0.0004399000000000, 0.0010517900000000 ] - [ -0.0004012700000000, -0.0000678600000000, 0.0002910600000000 ] - [ 0.0002834400000000, -0.0008063300000000, 0.0006228400000000 ] - [ -0.0000391100000000, 0.0000035300000000, 0.0003360400000000 ] - [ -0.0000397600000000, -0.0028282700000000, 0.0004560700000000 ] - [ 0.0009942000000000, 0.0019529800000000, 0.0004927100000000 ] - [ -0.0000651300000000, 0.0000529800000000, 0.0006822200000000 ] - [ 0.0000150100000000, -0.0000575700000000, 0.0002998400000000 ] - [ 0.0000167600000000, 0.0000439300000000, -0.0002040100000000 ] - [ -0.0000024600000000, -0.0000323200000000, -0.0001973300000000 ] - [ -0.0000179300000000, -0.0000251300000000, 0.0002244900000000 ] - [ 0.0000926200000000, -0.0001207100000000, 0.0000057200000000 ] - [ 0.0001765300000000, 0.0000747300000000, 0.0002253500000000 ] - [ 0.0000154900000000, -0.0000807000000000, -0.0002609000000000 ] - [ -0.0000101300000000, 0.0005304200000000, 0.0000770100000000 ] - [ -0.0003784600000000, -0.0007368900000000, 0.0001697300000000 ] - [ 0.0000142600000000, -0.0000045900000000, 0.0000105800000000 ] - [ 0.0001616400000000, 0.0000073900000000, 0.0003470300000000 ] - [ 0.0004065200000000, 0.0001416400000000, -0.0001945700000000 ] - [ 0.0000083200000000, -0.0000118300000000, -0.0005777100000000 ] - [ -0.0122973900000000, 0.0075804800000000, -0.0064226100000000 ] - [ -0.0004283400000000, 0.0000909900000000, -0.0002010200000000 ] - [ 0.0019027700000000, -0.0002193900000000, 0.0014640000000000 ] - [ -0.0008335900000000, -0.0000389300000000, -0.0004942200000000 ] - [ -0.0000332700000000, 0.0008604100000000, 0.0000812700000000 ] - [ 0.0000364600000000, -0.0000628300000000, -0.0001058000000000 ] - [ 0.0002230100000000, -0.0002326000000000, 0.0001003800000000 ] - [ 0.0004331900000000, 0.0007369400000000, -0.0005093400000000 ] - [ -0.0000779400000000, -0.0000274900000000, -0.0000313500000000 ] - [ -0.1618552800000000, -0.1397574800000000, 0.0600039600000000 ] - [ 0.0005359100000000, 0.0002252800000000, 0.0003289000000000 ] - [ 0.0037656500000000, -0.0020014300000000, -0.0032832200000000 ] - [ -0.0000962800000000, -0.0001668400000000, -0.0002735500000000 ] - [ -0.0001107200000000, 0.0004438500000000, -0.0007074000000000 ] - [ 0.0000816800000000, 0.0002509700000000, 0.0003578800000000 ] - [ 0.0000989100000000, -0.0001780800000000, -0.0002013500000000 ] - [ -0.0000336800000000, 0.0000970900000000, -0.0001346400000000 ] - [ 0.0000787800000000, 0.0011595100000000, 0.0008432700000000 ] - [ 0.0001617400000000, 0.0002938800000000, 0.0001700300000000 ] - [ -0.0000408400000000, -0.0000323000000000, 0.0008787300000000 ] - [ -0.0001941600000000, 0.0000008800000000, -0.0002286800000000 ] - [ 0.0000907300000000, 0.0000643100000000, -0.0000143300000000 ] - [ 0.0305050900000000, 0.0383369200000000, -0.0090719500000000 ] - [ -0.0000636900000000, -0.0012658100000000, 0.0006780700000000 ] - [ -0.0000716500000000, 0.0000060700000000, -0.0000076600000000 ] - [ 0.0008506900000000, 0.0009030500000000, -0.0001599800000000 ] - [ -0.0002049200000000, 0.0003056300000000, -0.0005697900000000 ] - [ -0.0000255900000000, -0.0001337100000000, 0.0001464300000000 ] - [ 0.0001275500000000, 0.0000000100000000, -0.0004235700000000 ] - [ -0.0000449600000000, 0.0001150300000000, -0.0001855000000000 ] - [ -0.0001955600000000, -0.0015131400000000, -0.0007407200000000 ] - [ 0.0003009700000000, 0.0004353900000000, 0.0000141100000000 ] - [ -0.0001678800000000, 0.0003171900000000, 0.0002174600000000 ] - [ -0.0002330900000000, 0.0001210300000000, 0.0002104600000000 ] - [ 0.0012965900000000, -0.0008020100000000, -0.0001578600000000 ] - [ 0.0004249200000000, -0.0001334400000000, -0.0001932500000000 ] - [ -0.0002013900000000, -0.0001172000000000, 0.0002281300000000 ] - [ 0.0001349600000000, -0.0000538800000000, 0.0016151700000000 ] - [ -0.0000871900000000, 0.0002237500000000, -0.0005549900000000 ] - [ -0.0002325500000000, -0.0003299500000000, 0.0001112900000000 ] - [ 0.0002547000000000, 0.0000028000000000, -0.0000499500000000 ] - [ -0.0000392400000000, 0.0018290600000000, -0.0008599000000000 ] - [ -0.0002321000000000, -0.0002445900000000, -0.0003344800000000 ] - [ -0.0002400700000000, 0.0007049500000000, -0.0000673400000000 ] - [ -0.0007442000000000, -0.0006171300000000, 0.0000273600000000 ] - [ 0.0002414700000000, -0.0012767000000000, 0.0012092500000000 ] - [ 0.0018327500000000, -0.0012292400000000, 0.0024831300000000 ] - [ -0.0008613300000000, -0.0015071700000000, 0.0013288300000000 ] - [ 0.0021772400000000, -0.0007786700000000, 0.0001294700000000 ] - [ 0.0001897800000000, -0.0001002300000000, 0.0002058200000000 ] - [ 0.0001022900000000, -0.0002624600000000, 0.0001452400000000 ] - [ 0.0004948500000000, -0.0013777300000000, -0.0004873900000000 ] - [ 0.0008175900000000, 0.0004821700000000, -0.0001981600000000 ] - [ -0.0000600100000000, -0.0000460900000000, -0.0003799100000000 ] - [ -0.0000183900000000, -0.0000879000000000, -0.0004619500000000 ] - [ 0.0001152200000000, 0.0002087200000000, -0.0002217400000000 ] - [ 0.0000056600000000, 0.0000584800000000, 0.0008468300000000 ] - [ 0.0003933900000000, -0.0007126800000000, -0.0004962700000000 ] - [ 0.0003544400000000, 0.0006896100000000, -0.0004873200000000 ] - [ -0.0162836500000000, -0.0108440700000000, 0.0002971700000000 ] - [ 0.0001088300000000, 0.0011776800000000, 0.0002180400000000 ] - [ -0.0008085300000000, 0.0000532200000000, -0.0004996700000000 ] - [ -0.0001164000000000, -0.0003368600000000, -0.0003320000000000 ] - [ 0.0003872400000000, -0.0006746200000000, -0.0004967700000000 ] - [ 0.0004662200000000, 0.0013341600000000, 0.0004527300000000 ] - [ 0.0003137800000000, -0.0001730400000000, 0.0002042400000000 ] - [ -0.0000974100000000, -0.0005037500000000, 0.0001661200000000 ] - [ 0.0006178200000000, -0.0000086200000000, 0.0005059900000000 ] - [ 0.0005879200000000, -0.0008588600000000, -0.0015938200000000 ] - [ 0.0018108400000000, 0.0005226800000000, 0.0002675800000000 ] - [ 0.0000262600000000, 0.0002658300000000, 0.0002050800000000 ] - [ 0.0001921900000000, 0.0007800000000000, -0.0000425100000000 ] - [ -0.0005694300000000, -0.0004683700000000, 0.0000794600000000 ] - [ -0.0000612600000000, 0.0000593400000000, -0.0002779100000000 ] - [ 0.0000297500000000, -0.0002621200000000, 0.0002043900000000 ] - [ 0.0000433200000000, -0.0000325800000000, -0.0000722000000000 ] - [ -0.0002270000000000, -0.0001043600000000, 0.0000528400000000 ] - [ 0.0004413000000000, 0.0030889300000000, -0.0014892800000000 ] - [ 0.0019664400000000, -0.0001589200000000, -0.0007265100000000 ] - [ 0.0000249500000000, -0.0000311600000000, -0.0000555300000000 ] - [ -0.0001543300000000, -0.0002264800000000, 0.0001764600000000 ] - [ -0.0000703500000000, -0.0000105900000000, -0.0000892200000000 ] - [ -0.0002041100000000, 0.0002259400000000, 0.0002636600000000 ] - [ 0.0001155000000000, 0.0000643200000000, -0.0000883600000000 ] - [ 0.0004078600000000, 0.0002289100000000, -0.0004285000000000 ] - [ -0.0001844500000000, -0.0000416700000000, -0.0000783900000000 ] - [ 0.0000435900000000, 0.0000389500000000, -0.0000560000000000 ] - [ -0.0013573900000000, -0.0003695100000000, -0.0004227000000000 ] - [ 0.0010616400000000, 0.0040225600000000, 0.0027564600000000 ] - [ 0.0001498500000000, -0.0001098600000000, -0.0003480400000000 ] - [ 0.0004963300000000, -0.0000150600000000, -0.0002642300000000 ] - [ 0.0022833000000000, -0.0001926800000000, 0.0014162100000000 ] - [ -0.0002209500000000, 0.0002563800000000, 0.0006592000000000 ]- atom: 106 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000471200000000, 0.0001495700000000, 0.0001298200000000 ] - [ -0.0000277000000000, 0.0000797000000000, 0.0001295900000000 ] - [ -0.0001431200000000, 0.0000606000000000, 0.0004276100000000 ] - [ 0.0000042600000000, -0.0001184100000000, 0.0000287700000000 ] - [ -0.0068858400000000, -0.0006874700000000, -0.0009581500000000 ] - [ -0.0025344600000000, 0.0001477200000000, -0.0017075800000000 ] - [ 0.0002808200000000, -0.0004966100000000, -0.0000041700000000 ] - [ -0.0001693200000000, -0.0020090800000000, 0.0001400700000000 ] - [ -0.0003766300000000, 0.0006260700000000, 0.0004732700000000 ] - [ 0.0007500200000000, 0.0000284700000000, 0.0002147500000000 ] - [ -0.0000095500000000, 0.0001171500000000, 0.0000286400000000 ] - [ 0.0028176900000000, -0.0026261500000000, -0.0003158400000000 ] - [ -0.0002823300000000, -0.0002414800000000, -0.0001136400000000 ] - [ -0.0017530500000000, -0.0006433600000000, 0.0024126600000000 ] - [ -0.0002045300000000, 0.0005422300000000, 0.0000994700000000 ] - [ -0.0000206700000000, -0.0000809000000000, 0.0001346800000000 ] - [ 0.0000392100000000, -0.0000075200000000, 0.0000841000000000 ] - [ 0.0001484500000000, 0.0000975000000000, 0.0000713600000000 ] - [ 0.0000543300000000, 0.0001334100000000, 0.0000200100000000 ] - [ -0.0004082400000000, 0.0002178100000000, -0.0001356500000000 ] - [ 0.0009846400000000, 0.0007908300000000, -0.0005184700000000 ] - [ 0.0001939300000000, 0.0001025500000000, -0.0000565000000000 ] - [ 0.0000990900000000, -0.0000375400000000, 0.0002317700000000 ] - [ 0.0002954600000000, -0.0000132400000000, 0.0002241800000000 ] - [ 0.0000981500000000, 0.0000020600000000, 0.0002798800000000 ] - [ -0.0002374200000000, -0.0002587400000000, -0.0002293700000000 ] - [ 0.0001564000000000, -0.0001188300000000, -0.0003575500000000 ] - [ 0.0005786800000000, 0.0001164300000000, -0.0000126300000000 ] - [ 0.0000988000000000, 0.0002369900000000, 0.0000717500000000 ] - [ -0.0010538300000000, 0.0007858400000000, -0.0001047000000000 ] - [ 0.0004476500000000, 0.0000615900000000, 0.0034328400000000 ] - [ 0.0017040200000000, -0.0001386800000000, -0.0001112000000000 ] - [ -0.0000244800000000, -0.0002604400000000, 0.0002933100000000 ] - [ 0.0006365200000000, 0.0004665300000000, 0.0009141500000000 ] - [ -0.0031497100000000, 0.0027482800000000, 0.0003719600000000 ] - [ -0.0001437500000000, -0.0000778900000000, 0.0000756600000000 ] - [ -0.0005087200000000, 0.0008874700000000, -0.0001907700000000 ] - [ 0.0027968200000000, 0.0028465200000000, -0.0003034000000000 ] - [ -0.0000786800000000, -0.0003151500000000, 0.0000219000000000 ] - [ -0.0000203800000000, 0.0000272200000000, 0.0000996100000000 ] - [ 0.0003386700000000, 0.0001625000000000, -0.0002269400000000 ] - [ 0.0001462300000000, -0.0000960000000000, 0.0000785500000000 ] - [ 0.0002579500000000, 0.0000685500000000, -0.0004632100000000 ] - [ -0.0010109300000000, -0.0004421800000000, -0.0000962000000000 ] - [ 0.0000441700000000, -0.0001355500000000, 0.0000158400000000 ] - [ -0.0000134900000000, -0.0001959100000000, 0.0002038300000000 ] - [ -0.0000918100000000, 0.0003463400000000, -0.0002678500000000 ] - [ -0.0002013800000000, -0.0001239200000000, -0.0000703200000000 ] - [ -0.0001670400000000, 0.0000678000000000, -0.0000191500000000 ] - [ -0.0001866600000000, -0.0001422300000000, -0.0005528600000000 ] - [ 0.0006055700000000, -0.0001607300000000, 0.0000363200000000 ] - [ -0.0000747000000000, 0.0001405600000000, -0.0000151500000000 ] - [ -0.0001347200000000, 0.0000907500000000, 0.0000743700000000 ] - [ -0.0000414500000000, -0.0001206900000000, -0.0000888100000000 ] - [ -0.0002099900000000, -0.0001474100000000, 0.0002276400000000 ] - [ 0.0001365500000000, -0.0000991400000000, -0.0000126800000000 ] - [ 0.0006482200000000, -0.0000335000000000, 0.0002830800000000 ] - [ -0.0000892200000000, -0.0001506900000000, -0.0000002700000000 ] - [ -0.0000603100000000, -0.0001202400000000, 0.0002439800000000 ] - [ -0.0000943100000000, 0.0001714300000000, 0.0002085300000000 ] - [ 0.0003791000000000, -0.0000835900000000, -0.0001861800000000 ] - [ 0.0003551900000000, 0.0011881800000000, -0.0000745000000000 ] - [ 0.0010373000000000, -0.0001308500000000, -0.0021937500000000 ] - [ 0.0001092900000000, 0.0000435300000000, 0.0002427400000000 ] - [ -0.0000884300000000, 0.0000630700000000, 0.0000430900000000 ] - [ 0.0001656000000000, -0.0017200800000000, 0.0019752900000000 ] - [ 0.0000091500000000, 0.0000857600000000, -0.0004817000000000 ] - [ -0.0000390500000000, -0.0000669600000000, -0.0001801400000000 ] - [ -0.0000557800000000, -0.0000374200000000, -0.0004455600000000 ] - [ 0.0009335200000000, -0.0017078800000000, 0.0048914400000000 ] - [ 0.0038741300000000, -0.0045440300000000, -0.0027523000000000 ] - [ 0.0030054100000000, 0.0000086100000000, 0.0002469100000000 ] - [ -0.1441533700000000, -0.1048267300000000, 0.0457436500000000 ] - [ 0.0003948200000000, 0.0000016800000000, 0.0002529100000000 ] - [ 0.0005286300000000, 0.0018883300000000, 0.0014851800000000 ] - [ 0.0004429700000000, 0.0010398500000000, -0.0001044700000000 ] - [ -0.0005967600000000, -0.0004363000000000, -0.0004514200000000 ] - [ 0.0004546000000000, 0.0001611600000000, 0.0003025900000000 ] - [ 0.0000021800000000, 0.0003158500000000, -0.0007206600000000 ] - [ 0.0001700600000000, -0.0000055500000000, -0.0000978000000000 ] - [ 0.0000319300000000, 0.0028130400000000, -0.0010491600000000 ] - [ -0.0010178500000000, -0.0019425300000000, -0.0010853500000000 ] - [ 0.0000667000000000, -0.0000510800000000, 0.0000239400000000 ] - [ -0.0000821900000000, -0.0000600600000000, -0.0000590000000000 ] - [ -0.0000177500000000, -0.0000470900000000, -0.0000358300000000 ] - [ 0.0000002700000000, 0.0000288600000000, -0.0000427700000000 ] - [ 0.0000194700000000, 0.0000289800000000, 0.0001029400000000 ] - [ 0.0000252500000000, -0.0000801600000000, 0.0002463200000000 ] - [ 0.0002481500000000, 0.0001026700000000, 0.0003209700000000 ] - [ 0.0006091900000000, 0.0000755100000000, 0.0006804000000000 ] - [ 0.0000141700000000, -0.0005302900000000, 0.0009908500000000 ] - [ 0.0005757500000000, 0.0010127600000000, -0.0008195700000000 ] - [ 0.0001418800000000, 0.0002756300000000, -0.0001025100000000 ] - [ -0.0004625800000000, 0.0000006400000000, -0.0004389800000000 ] - [ -0.0001380000000000, 0.0000078100000000, -0.0003037500000000 ] - [ -0.0000100200000000, 0.0000091300000000, -0.0002486400000000 ] - [ 0.0125774500000000, -0.0075115200000000, 0.0068465600000000 ] - [ -0.0000734500000000, 0.0002962300000000, 0.0005709100000000 ] - [ -0.0007880700000000, 0.0002224600000000, -0.0006481700000000 ] - [ -0.0008302900000000, -0.0000133600000000, -0.0004772200000000 ] - [ 0.0002390400000000, -0.0011376100000000, -0.0007330400000000 ] - [ -0.0001283000000000, -0.0000964400000000, -0.0000917000000000 ] - [ -0.0005631500000000, 0.0002696100000000, -0.0007506600000000 ] - [ 0.0004377600000000, 0.0006744900000000, -0.0004631100000000 ] - [ -0.0001552800000000, 0.0000290700000000, 0.0002834900000000 ] - [ 0.1628153800000000, 0.1442894900000000, -0.0619365900000000 ] - [ 0.0000285000000000, 0.0000168100000000, 0.0000491200000000 ] - [ -0.0038620800000000, 0.0022082400000000, 0.0032578600000000 ] - [ -0.0000376300000000, -0.0000642200000000, -0.0001008700000000 ] - [ 0.0001051800000000, -0.0001377300000000, 0.0002088700000000 ] - [ -0.0001284200000000, -0.0001826200000000, 0.0000965100000000 ] - [ 0.0001297800000000, -0.0002097300000000, -0.0001371200000000 ] - [ -0.0000602000000000, 0.0000506200000000, -0.0000626000000000 ] - [ -0.0000699000000000, -0.0011581200000000, -0.0008710400000000 ] - [ -0.0002334800000000, 0.0003148500000000, 0.0002075100000000 ] - [ 0.0000381100000000, 0.0000283800000000, 0.0007487800000000 ] - [ -0.0002549200000000, 0.0000031700000000, -0.0001097100000000 ] - [ 0.0000250600000000, 0.0001362400000000, 0.0002650700000000 ] - [ -0.0317121000000000, -0.0392891100000000, 0.0088351000000000 ] - [ 0.0002027500000000, 0.0009579100000000, -0.0013260300000000 ] - [ -0.0004585400000000, -0.0000012100000000, -0.0002402700000000 ] - [ -0.0006030000000000, -0.0004502500000000, -0.0000866000000000 ] - [ -0.0000541300000000, -0.0001396900000000, 0.0000683200000000 ] - [ -0.0002873700000000, -0.0004081900000000, 0.0002808900000000 ] - [ 0.0000045700000000, 0.0000062100000000, -0.0000881700000000 ] - [ 0.0002030200000000, -0.0003739100000000, 0.0000924600000000 ] - [ 0.0001206800000000, 0.0013640900000000, 0.0010576200000000 ] - [ -0.0006294500000000, -0.0004692600000000, -0.0006614900000000 ] - [ -0.0001486300000000, 0.0002214400000000, 0.0002088000000000 ] - [ -0.0001387200000000, 0.0001550300000000, 0.0003368200000000 ] - [ -0.0010355400000000, 0.0003281600000000, -0.0000908300000000 ] - [ -0.0001519400000000, -0.0000068700000000, -0.0003072400000000 ] - [ -0.0001516300000000, -0.0001529300000000, 0.0003163400000000 ] - [ -0.0006848800000000, 0.0010142200000000, -0.0007984200000000 ] - [ -0.0000440200000000, 0.0000174800000000, 0.0001820200000000 ] - [ 0.0002338100000000, 0.0003287600000000, 0.0009560400000000 ] - [ 0.0000203300000000, 0.0000044800000000, -0.0003234100000000 ] - [ -0.0000409800000000, -0.0016712100000000, 0.0011759600000000 ] - [ -0.0000281600000000, 0.0000873800000000, -0.0001619000000000 ] - [ 0.0003372600000000, -0.0008943900000000, -0.0002686200000000 ] - [ 0.0009285000000000, 0.0006140800000000, 0.0002813300000000 ] - [ -0.0002385100000000, 0.0012806300000000, -0.0012365100000000 ] - [ -0.0018138500000000, 0.0012190700000000, -0.0033303800000000 ] - [ 0.0002985700000000, 0.0005375900000000, -0.0005154900000000 ] - [ -0.0019208500000000, 0.0007717500000000, -0.0001246100000000 ] - [ 0.0002346300000000, -0.0000831200000000, 0.0003413300000000 ] - [ -0.0001755300000000, -0.0003580700000000, 0.0002318500000000 ] - [ -0.0006229200000000, 0.0011487700000000, 0.0004925700000000 ] - [ -0.0007076100000000, -0.0002932000000000, -0.0001384800000000 ] - [ -0.0000005100000000, -0.0000578500000000, -0.0001322300000000 ] - [ 0.0001929800000000, 0.0000798800000000, 0.0002588100000000 ] - [ 0.0001107600000000, 0.0001830800000000, -0.0001181300000000 ] - [ -0.0000070400000000, -0.0000627000000000, 0.0007801600000000 ] - [ 0.0004734300000000, -0.0007052900000000, -0.0004755800000000 ] - [ 0.0004327000000000, 0.0007699500000000, -0.0004850700000000 ] - [ 0.0166256800000000, 0.0106420800000000, -0.0006118400000000 ] - [ 0.0000400100000000, -0.0008647300000000, -0.0008687500000000 ] - [ -0.0008522700000000, -0.0000114400000000, -0.0004722600000000 ] - [ 0.0001090700000000, 0.0000349000000000, -0.0001631000000000 ] - [ 0.0003995800000000, -0.0007923200000000, -0.0004745000000000 ] - [ -0.0005479200000000, -0.0014703900000000, -0.0001341300000000 ] - [ 0.0002728400000000, -0.0000668900000000, 0.0001720500000000 ] - [ 0.0000148100000000, 0.0006410300000000, 0.0001516000000000 ] - [ -0.0006583600000000, -0.0000649400000000, -0.0000503300000000 ] - [ -0.0005897100000000, 0.0008462200000000, 0.0015021900000000 ] - [ -0.0023421000000000, -0.0005316400000000, -0.0005150100000000 ] - [ -0.0000843500000000, 0.0001910700000000, 0.0003416100000000 ] - [ -0.0000176900000000, -0.0007764800000000, 0.0003542100000000 ] - [ 0.0000677000000000, 0.0000927100000000, 0.0002932500000000 ] - [ 0.0000008500000000, 0.0000572100000000, -0.0002329200000000 ] - [ -0.0000870400000000, -0.0001783300000000, 0.0003400700000000 ] - [ -0.0000002000000000, -0.0000545500000000, 0.0000215300000000 ] - [ 0.0001078500000000, -0.0000974400000000, 0.0001568300000000 ] - [ -0.0004382300000000, -0.0030829100000000, 0.0016318600000000 ] - [ -0.0024278500000000, 0.0001666000000000, 0.0010709400000000 ] - [ 0.0000040100000000, -0.0000199100000000, 0.0000690300000000 ] - [ 0.0001435000000000, 0.0002300800000000, -0.0000137200000000 ] - [ 0.0000113900000000, 0.0000098100000000, 0.0001025200000000 ] - [ 0.0004254400000000, 0.0001886100000000, 0.0000653700000000 ] - [ -0.0000715900000000, 0.0000110600000000, 0.0000317600000000 ] - [ -0.0003873800000000, -0.0001951200000000, -0.0002725100000000 ] - [ 0.0000873400000000, 0.0000353800000000, 0.0000290700000000 ] - [ -0.0000151300000000, 0.0000097600000000, 0.0000675200000000 ] - [ 0.0013398500000000, 0.0003763800000000, -0.0002707800000000 ] - [ -0.0008259000000000, -0.0043824900000000, -0.0023965100000000 ] - [ -0.0001354100000000, 0.0000981100000000, -0.0003567100000000 ] - [ -0.0002506900000000, 0.0000176700000000, 0.0004763700000000 ] - [ -0.0023018200000000, 0.0001845200000000, -0.0012661400000000 ] - [ 0.0001005700000000, -0.0000459300000000, -0.0004445100000000 ]- atom: 106 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0001673300000000, -0.0000110700000000, 0.0001740300000000 ] - [ -0.0000400000000000, 0.0000956600000000, 0.0002354800000000 ] - [ -0.0000371300000000, 0.0002550700000000, 0.0001473400000000 ] - [ -0.0000139600000000, -0.0001502100000000, 0.0002506000000000 ] - [ -0.0045745500000000, 0.0017203100000000, -0.0005970800000000 ] - [ -0.0016721600000000, 0.0018000500000000, 0.0018219700000000 ] - [ 0.0008423100000000, -0.0006545800000000, -0.0002392100000000 ] - [ 0.0034774000000000, -0.0015101100000000, -0.0002006500000000 ] - [ -0.0002521700000000, -0.0006440900000000, -0.0006025900000000 ] - [ 0.0002836000000000, 0.0004851800000000, -0.0000319600000000 ] - [ -0.0000239600000000, 0.0002306700000000, 0.0002475200000000 ] - [ 0.0013363400000000, 0.0007652800000000, -0.0005432400000000 ] - [ -0.0001730400000000, -0.0000465600000000, -0.0005068600000000 ] - [ -0.0003250400000000, 0.0018506700000000, -0.0020279500000000 ] - [ -0.0006782700000000, -0.0038375000000000, 0.0001526800000000 ] - [ -0.0000574700000000, -0.0000800700000000, 0.0002425600000000 ] - [ 0.0001605800000000, 0.0000367400000000, 0.0002901600000000 ] - [ 0.0000921800000000, 0.0000588000000000, 0.0001925300000000 ] - [ 0.0000221300000000, 0.0001631000000000, 0.0001424900000000 ] - [ -0.0001465500000000, 0.0005829000000000, 0.0002332000000000 ] - [ -0.0005186800000000, 0.0000011300000000, 0.0002737100000000 ] - [ 0.0000721000000000, 0.0000590400000000, 0.0001678800000000 ] - [ -0.0000932900000000, -0.0003678600000000, 0.0001931000000000 ] - [ 0.0001057400000000, 0.0000238900000000, 0.0002426300000000 ] - [ 0.0001278200000000, 0.0000586700000000, 0.0003773000000000 ] - [ -0.0000888300000000, -0.0004907500000000, 0.0000438300000000 ] - [ 0.0000628400000000, 0.0000117000000000, -0.0002282200000000 ] - [ -0.0001640900000000, -0.0001432300000000, 0.0001987200000000 ] - [ 0.0001707900000000, -0.0000241000000000, 0.0004521500000000 ] - [ 0.0006367100000000, -0.0008228600000000, 0.0023195400000000 ] - [ 0.0004271500000000, 0.0015151800000000, 0.0000949500000000 ] - [ 0.0005550300000000, 0.0000620400000000, -0.0003679400000000 ] - [ 0.0006125500000000, -0.0004378700000000, 0.0004370200000000 ] - [ -0.0005053800000000, -0.0000521500000000, -0.0002257700000000 ] - [ -0.0020653500000000, 0.0053717700000000, 0.0005283200000000 ] - [ -0.0001211600000000, -0.0001046200000000, 0.0001923100000000 ] - [ -0.0003776700000000, -0.0007247800000000, 0.0004823300000000 ] - [ -0.0008015700000000, 0.0002830900000000, -0.0003631200000000 ] - [ 0.0000469300000000, -0.0010822100000000, -0.0002335800000000 ] - [ 0.0000878600000000, -0.0007773200000000, 0.0002743700000000 ] - [ 0.0001159900000000, -0.0001073000000000, -0.0003195200000000 ] - [ 0.0001554100000000, -0.0001002200000000, 0.0001930600000000 ] - [ -0.0000439300000000, 0.0000369900000000, -0.0001725000000000 ] - [ 0.0002238700000000, -0.0002385400000000, -0.0033102300000000 ] - [ -0.0000110500000000, -0.0001542800000000, 0.0001251200000000 ] - [ 0.0000905300000000, -0.0000136500000000, -0.0000409100000000 ] - [ -0.0002097000000000, 0.0000094700000000, -0.0003556700000000 ] - [ -0.0001303600000000, 0.0000038400000000, 0.0001928300000000 ] - [ -0.0001292000000000, 0.0001204200000000, 0.0000886900000000 ] - [ 0.0000228300000000, 0.0002665300000000, -0.0002577200000000 ] - [ 0.0001446300000000, 0.0002726600000000, 0.0001607200000000 ] - [ -0.0003368400000000, 0.0000769100000000, 0.0003664900000000 ] - [ -0.0001415500000000, 0.0000211100000000, 0.0001953100000000 ] - [ 0.0007254300000000, -0.0011068200000000, -0.0003464800000000 ] - [ 0.0001046500000000, -0.0001315900000000, 0.0003803500000000 ] - [ 0.0001801700000000, -0.0001073400000000, 0.0001089400000000 ] - [ -0.0001063900000000, -0.0002256000000000, -0.0000220300000000 ] - [ -0.0002095600000000, 0.0001575400000000, 0.0001507900000000 ] - [ -0.0000547800000000, -0.0001823700000000, 0.0003370700000000 ] - [ -0.0000752700000000, 0.0000510000000000, 0.0004128900000000 ] - [ 0.0004713800000000, -0.0001183600000000, -0.0000038800000000 ] - [ -0.0011046900000000, -0.0013363100000000, -0.0002622200000000 ] - [ -0.0011887100000000, 0.0006592400000000, 0.0003565900000000 ] - [ 0.0001622200000000, -0.0004964200000000, 0.0003247700000000 ] - [ -0.0000631900000000, 0.0001067800000000, 0.0002367200000000 ] - [ 0.0028325200000000, -0.0031151900000000, 0.0036512000000000 ] - [ -0.0000734600000000, -0.0000585900000000, -0.0004803900000000 ] - [ 0.0004831900000000, -0.0002978600000000, -0.0002869200000000 ] - [ 0.0000582200000000, -0.0000151800000000, 0.0001337200000000 ] - [ 0.0006945500000000, 0.0014763400000000, 0.0021772200000000 ] - [ 0.0012448700000000, 0.0023665900000000, -0.0013556800000000 ] - [ -0.0008250600000000, -0.0007120800000000, -0.0006044200000000 ] - [ 0.0159823600000000, 0.1814489300000000, -0.0470221500000000 ] - [ -0.0000987700000000, 0.0002994500000000, 0.0001439000000000 ] - [ -0.0015599200000000, -0.0016290700000000, -0.0012842500000000 ] - [ 0.0017271800000000, -0.0025943100000000, -0.0007569400000000 ] - [ 0.0000318000000000, 0.0007456900000000, 0.0012152100000000 ] - [ -0.0000148200000000, -0.0000803800000000, 0.0003679500000000 ] - [ -0.0004470200000000, -0.0004226800000000, 0.0007038700000000 ] - [ 0.0000314900000000, 0.0000437200000000, 0.0003464400000000 ] - [ -0.0023888500000000, -0.0014910100000000, 0.0004172700000000 ] - [ 0.0038749600000000, -0.0002050900000000, -0.0020587000000000 ] - [ 0.0000135500000000, 0.0000840200000000, 0.0005046600000000 ] - [ 0.0000288800000000, -0.0001537900000000, 0.0003862100000000 ] - [ 0.0000334200000000, 0.0000407600000000, -0.0002128700000000 ] - [ -0.0000032200000000, -0.0000258400000000, -0.0000859100000000 ] - [ -0.0000416500000000, -0.0000269800000000, 0.0000655500000000 ] - [ 0.0000399500000000, -0.0001065400000000, 0.0000993800000000 ] - [ 0.0002180700000000, 0.0000514000000000, 0.0002054600000000 ] - [ 0.0003283100000000, -0.0002180400000000, -0.0002250800000000 ] - [ 0.0004603600000000, 0.0002645100000000, 0.0001112600000000 ] - [ 0.0000387600000000, 0.0015524900000000, -0.0011964400000000 ] - [ -0.0000002300000000, 0.0004036900000000, 0.0000025700000000 ] - [ -0.0002687200000000, -0.0002212400000000, -0.0001666500000000 ] - [ 0.0000506700000000, -0.0000535400000000, -0.0002191700000000 ] - [ -0.0000067400000000, -0.0000172800000000, -0.0005373700000000 ] - [ 0.0135006700000000, -0.0045012300000000, -0.0086261900000000 ] - [ -0.0001684400000000, -0.0001194900000000, -0.0003738000000000 ] - [ -0.0000095900000000, -0.0002261100000000, -0.0000844400000000 ] - [ -0.0009623700000000, -0.0000164800000000, -0.0006630300000000 ] - [ 0.0002728300000000, 0.0006037700000000, 0.0000127500000000 ] - [ -0.0000307700000000, -0.0000545300000000, -0.0001566900000000 ] - [ -0.0021010100000000, 0.0004471900000000, -0.0013356100000000 ] - [ 0.0004685700000000, 0.0007255400000000, -0.0005222100000000 ] - [ -0.0000899500000000, -0.0000527500000000, 0.0000838700000000 ] - [ -0.0399662600000000, -0.2166031900000000, 0.0619318600000000 ] - [ 0.0003327100000000, 0.0001370900000000, 0.0001948300000000 ] - [ -0.0001197000000000, -0.0012547400000000, 0.0003614000000000 ] - [ -0.0001284200000000, -0.0000151800000000, -0.0000900700000000 ] - [ 0.0003041100000000, 0.0002368000000000, -0.0007511700000000 ] - [ -0.0003309300000000, 0.0006006700000000, 0.0006105400000000 ] - [ 0.0001468100000000, -0.0002141400000000, -0.0002337100000000 ] - [ -0.0000778900000000, 0.0001583300000000, -0.0001315600000000 ] - [ 0.0010096800000000, 0.0006868900000000, 0.0008282100000000 ] - [ -0.0000923700000000, 0.0002905700000000, 0.0001961800000000 ] - [ -0.0000561200000000, 0.0000299000000000, 0.0003157100000000 ] - [ -0.0002220800000000, -0.0000233700000000, -0.0002582700000000 ] - [ 0.0000361000000000, 0.0000232000000000, 0.0000652100000000 ] - [ -0.0016300300000000, -0.0197839600000000, 0.0006662800000000 ] - [ -0.0019554800000000, 0.0011197100000000, -0.0022212700000000 ] - [ -0.0013233500000000, 0.0007375600000000, -0.0001075800000000 ] - [ 0.0000665800000000, 0.0010369800000000, -0.0001611800000000 ] - [ 0.0001555900000000, 0.0001026300000000, -0.0003921800000000 ] - [ -0.0001757900000000, -0.0001191300000000, 0.0001600700000000 ] - [ 0.0000916600000000, -0.0000210700000000, -0.0004104800000000 ] - [ 0.0003023300000000, -0.0000926300000000, -0.0004180900000000 ] - [ -0.0008175000000000, -0.0005669700000000, 0.0006293500000000 ] - [ 0.0008333800000000, 0.0003523200000000, 0.0000773300000000 ] - [ -0.0001993600000000, 0.0005474500000000, 0.0003498400000000 ] - [ -0.0002629900000000, 0.0001659200000000, 0.0001845600000000 ] - [ 0.0000272000000000, -0.0000672500000000, 0.0000717400000000 ] - [ 0.0000638600000000, -0.0002563700000000, -0.0003613900000000 ] - [ -0.0001637600000000, -0.0001392600000000, 0.0002219800000000 ] - [ -0.0000736100000000, -0.0005281100000000, 0.0001614400000000 ] - [ 0.0000309800000000, 0.0001634500000000, -0.0005976100000000 ] - [ -0.0007096300000000, -0.0000338200000000, 0.0016349500000000 ] - [ 0.0001108400000000, -0.0000462400000000, -0.0003177200000000 ] - [ 0.0005896400000000, 0.0006030000000000, -0.0000269100000000 ] - [ -0.0003481500000000, 0.0001299300000000, -0.0002204600000000 ] - [ -0.0005490100000000, 0.0019627000000000, 0.0002173000000000 ] - [ -0.0022739800000000, 0.0007572000000000, 0.0024737800000000 ] - [ -0.0023401700000000, 0.0016651300000000, -0.0021089500000000 ] - [ -0.0009962900000000, -0.0005320400000000, -0.0014816100000000 ] - [ -0.0009219400000000, -0.0009534100000000, -0.0000306800000000 ] - [ -0.0003431200000000, -0.0004624400000000, 0.0000472400000000 ] - [ 0.0001939800000000, -0.0000672400000000, 0.0001928600000000 ] - [ 0.0000165000000000, -0.0001142500000000, 0.0001111700000000 ] - [ -0.0014507500000000, -0.0011945300000000, 0.0011255600000000 ] - [ 0.0002724400000000, 0.0010777800000000, -0.0001271200000000 ] - [ -0.0000667900000000, 0.0000034000000000, -0.0004551700000000 ] - [ 0.0000679900000000, -0.0001434400000000, -0.0005376600000000 ] - [ 0.0001225100000000, 0.0002737600000000, -0.0002598100000000 ] - [ 0.0000517600000000, 0.0000375200000000, 0.0008363800000000 ] - [ 0.0004556600000000, -0.0007865400000000, -0.0006586600000000 ] - [ 0.0004120600000000, 0.0008257400000000, -0.0006586300000000 ] - [ 0.0175032200000000, 0.0452862800000000, -0.0072503400000000 ] - [ 0.0010878200000000, 0.0008329500000000, 0.0002811000000000 ] - [ -0.0007766700000000, 0.0000441500000000, -0.0005091200000000 ] - [ -0.0001589600000000, 0.0001029400000000, 0.0000925700000000 ] - [ 0.0004114300000000, -0.0006960800000000, -0.0005121300000000 ] - [ 0.0009176500000000, 0.0010761700000000, 0.0004682400000000 ] - [ 0.0001630600000000, 0.0000474800000000, 0.0001505900000000 ] - [ -0.0011189000000000, 0.0008416400000000, 0.0002443400000000 ] - [ 0.0001481900000000, 0.0001434900000000, 0.0004307800000000 ] - [ -0.0001352600000000, -0.0004653500000000, 0.0004744600000000 ] - [ 0.0006155400000000, 0.0001514000000000, 0.0000154500000000 ] - [ -0.0000116200000000, 0.0002415800000000, 0.0002017500000000 ] - [ 0.0015486300000000, 0.0008550000000000, -0.0007745400000000 ] - [ -0.0003329000000000, -0.0006267300000000, 0.0000272800000000 ] - [ -0.0000157300000000, 0.0000276600000000, -0.0003032900000000 ] - [ -0.0000111100000000, -0.0002782100000000, 0.0001874200000000 ] - [ -0.0000001700000000, 0.0000545300000000, -0.0001032300000000 ] - [ -0.0002551600000000, 0.0002253500000000, -0.0002625900000000 ] - [ 0.0026066200000000, 0.0026551800000000, -0.0017423000000000 ] - [ -0.0001043900000000, -0.0002279500000000, 0.0003156300000000 ] - [ 0.0000120000000000, 0.0000064400000000, -0.0000712600000000 ] - [ -0.0011623000000000, 0.0017993300000000, 0.0011212700000000 ] - [ -0.0000195300000000, -0.0000408100000000, -0.0001084900000000 ] - [ -0.0012202900000000, 0.0021188600000000, -0.0008674300000000 ] - [ 0.0000142800000000, 0.0000715700000000, -0.0000962200000000 ] - [ -0.0001348300000000, 0.0000729100000000, -0.0003750100000000 ] - [ -0.0000146900000000, -0.0001529000000000, -0.0000685900000000 ] - [ 0.0000055200000000, 0.0000303300000000, -0.0000735800000000 ] - [ 0.0004090600000000, -0.0013101600000000, 0.0000211100000000 ] - [ 0.0032363500000000, 0.0024074200000000, 0.0027353100000000 ] - [ -0.0000160500000000, 0.0003723400000000, -0.0003929200000000 ] - [ 0.0002174900000000, -0.0001529800000000, 0.0000615500000000 ] - [ -0.0001102900000000, -0.0003466300000000, 0.0002037900000000 ] - [ 0.0001295700000000, 0.0000549900000000, 0.0006773400000000 ]- atom: 106 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0001141600000000, 0.0004290000000000, 0.0002541500000000 ] - [ -0.0000733800000000, 0.0001310700000000, 0.0001040900000000 ] - [ -0.0000140900000000, -0.0001489400000000, 0.0001303900000000 ] - [ 0.0000303900000000, -0.0001264100000000, 0.0000069200000000 ] - [ 0.0042921300000000, -0.0012312200000000, 0.0001434100000000 ] - [ 0.0014563500000000, -0.0021694700000000, -0.0018212400000000 ] - [ -0.0003906600000000, 0.0006559500000000, 0.0002284800000000 ] - [ -0.0037474200000000, 0.0010578900000000, -0.0002406900000000 ] - [ 0.0001213900000000, 0.0008845800000000, 0.0007127800000000 ] - [ -0.0005180700000000, -0.0000913000000000, 0.0000177300000000 ] - [ 0.0000367900000000, 0.0000607900000000, 0.0000039400000000 ] - [ -0.0014738000000000, -0.0011731200000000, 0.0002932700000000 ] - [ -0.0000266100000000, -0.0003627000000000, -0.0000856800000000 ] - [ 0.0003530800000000, -0.0019816800000000, 0.0025324100000000 ] - [ 0.0011137500000000, 0.0037341100000000, -0.0004162200000000 ] - [ -0.0000616900000000, -0.0001261600000000, 0.0001013700000000 ] - [ 0.0000939200000000, -0.0000212200000000, 0.0000506600000000 ] - [ 0.0001522600000000, 0.0000979500000000, 0.0000591800000000 ] - [ -0.0000519300000000, 0.0001306700000000, -0.0000249800000000 ] - [ -0.0000497700000000, -0.0001491100000000, -0.0008239300000000 ] - [ 0.0009703100000000, -0.0000088700000000, -0.0002850700000000 ] - [ 0.0001967500000000, 0.0000614100000000, -0.0000500500000000 ] - [ 0.0001463700000000, -0.0000668600000000, 0.0002334700000000 ] - [ 0.0000100200000000, -0.0000164400000000, 0.0000352700000000 ] - [ 0.0001514400000000, -0.0000510600000000, 0.0002097300000000 ] - [ -0.0001647400000000, 0.0001121200000000, -0.0006333800000000 ] - [ -0.0001722100000000, 0.0001933500000000, -0.0001042900000000 ] - [ 0.0000106900000000, 0.0000886100000000, 0.0003067000000000 ] - [ 0.0001668200000000, 0.0002768700000000, -0.0000218600000000 ] - [ -0.0006089200000000, 0.0009614100000000, -0.0018207100000000 ] - [ 0.0003180300000000, -0.0015224500000000, -0.0000755000000000 ] - [ -0.0000508900000000, -0.0000551500000000, -0.0000759200000000 ] - [ -0.0004846700000000, 0.0005273100000000, 0.0000609600000000 ] - [ 0.0006335600000000, -0.0000544200000000, 0.0007232100000000 ] - [ 0.0023958700000000, -0.0046815200000000, -0.0006964200000000 ] - [ -0.0001266500000000, -0.0000195700000000, 0.0000647100000000 ] - [ -0.0000086800000000, 0.0013612800000000, -0.0004384500000000 ] - [ 0.0006542100000000, 0.0001233700000000, 0.0001047200000000 ] - [ -0.0004216100000000, 0.0004292200000000, 0.0002724900000000 ] - [ -0.0002170000000000, 0.0005480200000000, -0.0001571000000000 ] - [ 0.0003542100000000, 0.0001515000000000, -0.0002727000000000 ] - [ 0.0000785600000000, -0.0000826500000000, 0.0000599100000000 ] - [ -0.0000669300000000, -0.0002279100000000, -0.0001679600000000 ] - [ -0.0004466000000000, 0.0006238800000000, 0.0033100100000000 ] - [ -0.0000211700000000, -0.0001480300000000, -0.0000172300000000 ] - [ 0.0002489700000000, -0.0002352200000000, 0.0004661900000000 ] - [ -0.0000782700000000, 0.0003565200000000, -0.0002342600000000 ] - [ -0.0001147200000000, -0.0001816600000000, -0.0000845900000000 ] - [ -0.0001037500000000, 0.0000537600000000, 0.0000271500000000 ] - [ 0.0002108700000000, -0.0002574600000000, -0.0000763300000000 ] - [ -0.0003025300000000, -0.0002098900000000, 0.0003392800000000 ] - [ -0.0000516300000000, 0.0000912700000000, 0.0000620500000000 ] - [ -0.0001333900000000, 0.0000892600000000, 0.0000576400000000 ] - [ -0.0010312800000000, 0.0014227300000000, 0.0000876700000000 ] - [ -0.0001676400000000, 0.0000176000000000, -0.0001091500000000 ] - [ 0.0000880200000000, -0.0000078500000000, 0.0000071700000000 ] - [ -0.0001188100000000, -0.0001615200000000, 0.0000117800000000 ] - [ -0.0001933200000000, -0.0003242400000000, 0.0002756300000000 ] - [ -0.0000850400000000, -0.0000603600000000, 0.0002479900000000 ] - [ -0.0000579100000000, 0.0001943400000000, 0.0001737200000000 ] - [ -0.0000082000000000, 0.0000524000000000, -0.0005844300000000 ] - [ 0.0007919400000000, 0.0009935100000000, 0.0000109100000000 ] - [ 0.0014492100000000, -0.0006399000000000, -0.0002260900000000 ] - [ -0.0001124100000000, 0.0004026700000000, 0.0002650300000000 ] - [ -0.0000052500000000, 0.0000072800000000, 0.0000005300000000 ] - [ -0.0028132800000000, 0.0031058300000000, -0.0034515200000000 ] - [ 0.0000738200000000, 0.0000568900000000, -0.0005048700000000 ] - [ -0.0002012200000000, 0.0007821400000000, 0.0001900800000000 ] - [ -0.0000593100000000, 0.0000156600000000, -0.0011162600000000 ] - [ -0.0006878400000000, -0.0014767300000000, -0.0012807800000000 ] - [ -0.0012444500000000, -0.0023748600000000, 0.0006736100000000 ] - [ 0.0010614400000000, 0.0011312800000000, 0.0001310800000000 ] - [ -0.0195391700000000, -0.1845065400000000, 0.0484023500000000 ] - [ -0.0004692500000000, -0.0002982600000000, -0.0002445400000000 ] - [ 0.0015541200000000, 0.0016258300000000, 0.0014460900000000 ] - [ -0.0014987700000000, 0.0021711500000000, 0.0002758100000000 ] - [ -0.0001340800000000, -0.0007412700000000, -0.0006147200000000 ] - [ 0.0000709900000000, 0.0001772100000000, 0.0002273500000000 ] - [ 0.0007284100000000, -0.0000658400000000, -0.0008002500000000 ] - [ 0.0001002700000000, -0.0000458700000000, -0.0001086100000000 ] - [ 0.0024094300000000, 0.0014586300000000, -0.0010106800000000 ] - [ -0.0038604600000000, 0.0002235300000000, 0.0014475200000000 ] - [ -0.0000124600000000, -0.0000827600000000, 0.0002016900000000 ] - [ -0.0000963400000000, 0.0000349300000000, -0.0001469500000000 ] - [ -0.0000347100000000, -0.0000442100000000, -0.0000267600000000 ] - [ 0.0000008700000000, 0.0000220300000000, -0.0001529100000000 ] - [ 0.0000431300000000, 0.0000305300000000, 0.0002603700000000 ] - [ 0.0000788700000000, -0.0000957300000000, 0.0001510000000000 ] - [ 0.0002080500000000, 0.0001288100000000, 0.0003353900000000 ] - [ 0.0002976700000000, 0.0002115400000000, 0.0006498700000000 ] - [ -0.0004624400000000, -0.0002612900000000, 0.0009598800000000 ] - [ 0.0001603700000000, -0.0012725700000000, 0.0005398000000000 ] - [ 0.0001564900000000, -0.0001314500000000, -0.0000953600000000 ] - [ -0.0000343600000000, 0.0002278000000000, 0.0000779700000000 ] - [ 0.0002178700000000, 0.0002023200000000, -0.0002753100000000 ] - [ 0.0000049700000000, 0.0000142700000000, -0.0002949700000000 ] - [ -0.0134910700000000, 0.0046930000000000, 0.0090961500000000 ] - [ -0.0003340200000000, 0.0005079700000000, 0.0007477600000000 ] - [ 0.0011177800000000, 0.0002307500000000, 0.0008912900000000 ] - [ -0.0007016000000000, -0.0000363600000000, -0.0003123200000000 ] - [ -0.0000713400000000, -0.0008783600000000, -0.0006622300000000 ] - [ -0.0000616300000000, -0.0001055200000000, -0.0000438800000000 ] - [ 0.0017483200000000, -0.0004126600000000, 0.0006765400000000 ] - [ 0.0004018300000000, 0.0006855500000000, -0.0004537100000000 ] - [ -0.0001445700000000, 0.0000541500000000, 0.0001665500000000 ] - [ 0.0436931200000000, 0.2203791900000000, -0.0641168500000000 ] - [ 0.0002320600000000, 0.0001037700000000, 0.0001863900000000 ] - [ -0.0000093900000000, 0.0014730900000000, -0.0003525200000000 ] - [ -0.0000056300000000, -0.0002162800000000, -0.0002904900000000 ] - [ -0.0003080700000000, 0.0000688700000000, 0.0002543800000000 ] - [ 0.0002871700000000, -0.0005269400000000, -0.0001523300000000 ] - [ 0.0000839100000000, -0.0001773600000000, -0.0001107800000000 ] - [ -0.0000155900000000, -0.0000103900000000, -0.0000685200000000 ] - [ -0.0010124200000000, -0.0006798600000000, -0.0008551100000000 ] - [ 0.0000187300000000, 0.0003178500000000, 0.0001848600000000 ] - [ 0.0000531000000000, -0.0000345200000000, 0.0013107200000000 ] - [ -0.0002316800000000, 0.0000267800000000, -0.0000864200000000 ] - [ 0.0000806200000000, 0.0001785100000000, 0.0001840300000000 ] - [ 0.0015964700000000, 0.0199738900000000, -0.0010768200000000 ] - [ 0.0020810400000000, -0.0014278200000000, 0.0015556000000000 ] - [ 0.0008038700000000, -0.0007275900000000, -0.0001402800000000 ] - [ 0.0001903900000000, -0.0005705600000000, -0.0000893100000000 ] - [ -0.0004133700000000, 0.0000625500000000, -0.0001064000000000 ] - [ -0.0001399600000000, -0.0004266200000000, 0.0002722900000000 ] - [ 0.0000407100000000, 0.0000266200000000, -0.0000984000000000 ] - [ -0.0001419900000000, -0.0001682500000000, 0.0003257300000000 ] - [ 0.0007307100000000, 0.0004065300000000, -0.0003106800000000 ] - [ -0.0011656200000000, -0.0003849600000000, -0.0007244800000000 ] - [ -0.0001176500000000, -0.0000056100000000, 0.0000813800000000 ] - [ -0.0001123700000000, 0.0001094100000000, 0.0003573000000000 ] - [ 0.0002326000000000, -0.0004164000000000, -0.0003227700000000 ] - [ 0.0002091200000000, 0.0001140800000000, -0.0001361700000000 ] - [ -0.0001926600000000, -0.0001307400000000, 0.0003171000000000 ] - [ -0.0004805700000000, 0.0014894200000000, 0.0006456400000000 ] - [ -0.0001618900000000, 0.0000775700000000, 0.0002206400000000 ] - [ 0.0007037600000000, 0.0000294100000000, -0.0005537400000000 ] - [ 0.0001643700000000, 0.0000528700000000, -0.0000575000000000 ] - [ -0.0006777500000000, -0.0004300700000000, 0.0003340600000000 ] - [ 0.0000878300000000, -0.0002868300000000, -0.0002756100000000 ] - [ 0.0006484200000000, -0.0021398100000000, -0.0005531500000000 ] - [ 0.0024382800000000, -0.0007492400000000, -0.0021396500000000 ] - [ 0.0023192900000000, -0.0016489100000000, 0.0020582200000000 ] - [ 0.0009960100000000, 0.0005371400000000, 0.0006055200000000 ] - [ 0.0003657300000000, -0.0000024700000000, 0.0008391700000000 ] - [ 0.0005971800000000, 0.0004627400000000, -0.0000404900000000 ] - [ 0.0002314000000000, -0.0001193800000000, 0.0003488100000000 ] - [ -0.0000896000000000, -0.0005060400000000, 0.0002688200000000 ] - [ 0.0013270800000000, 0.0009824700000000, -0.0011202200000000 ] - [ -0.0001725700000000, -0.0009058700000000, -0.0002084100000000 ] - [ 0.0000058200000000, -0.0001081300000000, -0.0000531300000000 ] - [ 0.0001062700000000, 0.0001348700000000, 0.0003320100000000 ] - [ 0.0001051200000000, 0.0001209700000000, -0.0000860500000000 ] - [ -0.0000536500000000, -0.0000419900000000, 0.0007925400000000 ] - [ 0.0004108200000000, -0.0006320300000000, -0.0003170800000000 ] - [ 0.0003750500000000, 0.0006331200000000, -0.0003176800000000 ] - [ -0.0175633400000000, -0.0470617100000000, 0.0070406300000000 ] - [ -0.0009509800000000, -0.0005182800000000, -0.0009314900000000 ] - [ -0.0008842200000000, -0.0000027700000000, -0.0004661500000000 ] - [ 0.0001513900000000, -0.0004050400000000, -0.0005879900000000 ] - [ 0.0003749400000000, -0.0007708900000000, -0.0004624500000000 ] - [ -0.0010040400000000, -0.0012105000000000, -0.0001483700000000 ] - [ 0.0004268300000000, -0.0002864000000000, 0.0002305800000000 ] - [ 0.0010290300000000, -0.0007056500000000, 0.0000774900000000 ] - [ -0.0001925100000000, -0.0002226600000000, 0.0000276300000000 ] - [ 0.0001326600000000, 0.0004611800000000, -0.0005545700000000 ] - [ -0.0011557200000000, -0.0001689800000000, -0.0002660800000000 ] - [ -0.0000443800000000, 0.0002178000000000, 0.0003394400000000 ] - [ -0.0013902400000000, -0.0008520700000000, 0.0010968200000000 ] - [ -0.0001687100000000, 0.0002480500000000, 0.0003503000000000 ] - [ -0.0000447000000000, 0.0000889500000000, -0.0002042000000000 ] - [ -0.0000440400000000, -0.0001658500000000, 0.0003512500000000 ] - [ 0.0000437900000000, -0.0001411300000000, 0.0000477300000000 ] - [ 0.0001357300000000, -0.0004257200000000, 0.0004824900000000 ] - [ -0.0025972300000000, -0.0026494800000000, 0.0018822900000000 ] - [ -0.0003369600000000, 0.0002301400000000, 0.0000195000000000 ] - [ 0.0000165100000000, -0.0000568500000000, 0.0000780700000000 ] - [ 0.0011628500000000, -0.0018118800000000, -0.0009733800000000 ] - [ -0.0000384100000000, 0.0000391400000000, 0.0001146500000000 ] - [ 0.0014561900000000, -0.0017193100000000, 0.0012152300000000 ] - [ 0.0000286600000000, 0.0000028900000000, 0.0000348800000000 ] - [ 0.0001521700000000, -0.0000421500000000, -0.0003222300000000 ] - [ -0.0000824300000000, 0.0001457100000000, 0.0000142800000000 ] - [ 0.0000221000000000, 0.0000173300000000, 0.0000780900000000 ] - [ -0.0004265200000000, 0.0013184700000000, -0.0007117800000000 ] - [ -0.0029792400000000, -0.0027857600000000, -0.0023733300000000 ] - [ 0.0000320600000000, -0.0003809800000000, -0.0003089900000000 ] - [ 0.0000263700000000, 0.0001537700000000, 0.0001531800000000 ] - [ 0.0001133000000000, 0.0003306500000000, -0.0000398100000000 ] - [ -0.0002469600000000, 0.0001540700000000, -0.0004579000000000 ]- atom: 106 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000312800000000, 0.0001981500000000, -0.0000167300000000 ] - [ -0.0000503700000000, 0.0001006400000000, -0.0001738100000000 ] - [ -0.0003199700000000, -0.0001160800000000, -0.0002489200000000 ] - [ 0.0000597200000000, -0.0000483100000000, -0.0003635400000000 ] - [ 0.0016712100000000, 0.0006845700000000, 0.0028435500000000 ] - [ 0.0002022900000000, 0.0004077000000000, 0.0022392200000000 ] - [ 0.0002123800000000, -0.0000216000000000, 0.0002313300000000 ] - [ -0.0002637100000000, -0.0003823800000000, 0.0010110700000000 ] - [ 0.0000266800000000, -0.0002487400000000, 0.0002637800000000 ] - [ -0.0001000700000000, 0.0001520300000000, 0.0002438500000000 ] - [ 0.0000580300000000, 0.0000385300000000, -0.0003818600000000 ] - [ -0.0000857200000000, -0.0006072500000000, 0.0010052900000000 ] - [ -0.0003927300000000, -0.0006634600000000, -0.0006851900000000 ] - [ -0.0015006500000000, -0.0029171700000000, -0.0026321200000000 ] - [ 0.0000623400000000, 0.0003693200000000, 0.0006419400000000 ] - [ -0.0000495700000000, -0.0000920900000000, -0.0001759100000000 ] - [ -0.0000227200000000, -0.0000005500000000, -0.0003309400000000 ] - [ 0.0001406300000000, 0.0000852600000000, -0.0002096100000000 ] - [ -0.0000267400000000, 0.0001565500000000, -0.0002956900000000 ] - [ -0.0004702900000000, 0.0003503800000000, -0.0011896600000000 ] - [ 0.0009406800000000, 0.0004906200000000, 0.0000188900000000 ] - [ 0.0002227200000000, 0.0000740800000000, -0.0003480800000000 ] - [ 0.0000328600000000, -0.0002058500000000, -0.0000468400000000 ] - [ 0.0000709600000000, 0.0000036800000000, -0.0000623600000000 ] - [ 0.0001025000000000, -0.0000254300000000, -0.0001421800000000 ] - [ -0.0001751600000000, -0.0000275100000000, -0.0006210400000000 ] - [ 0.0000502600000000, -0.0000210700000000, -0.0004488700000000 ] - [ 0.0001637500000000, 0.0001047300000000, 0.0004634700000000 ] - [ 0.0001467400000000, 0.0004700100000000, -0.0001644500000000 ] - [ -0.0018008900000000, 0.0028051700000000, -0.0004111900000000 ] - [ -0.0015424500000000, -0.0012301900000000, 0.0000571800000000 ] - [ 0.0003505600000000, -0.0000413400000000, 0.0005468900000000 ] - [ -0.0001788500000000, 0.0001409800000000, 0.0004842400000000 ] - [ -0.0003067900000000, -0.0001555700000000, 0.0004295600000000 ] - [ -0.0002180300000000, 0.0019583700000000, 0.0031064200000000 ] - [ -0.0001293600000000, -0.0000631100000000, -0.0002187400000000 ] - [ -0.0001961000000000, 0.0010724200000000, 0.0000898200000000 ] - [ 0.0004253100000000, 0.0003577800000000, 0.0005723500000000 ] - [ -0.0003515000000000, -0.0001752800000000, 0.0002792700000000 ] - [ -0.0000639600000000, 0.0001703200000000, 0.0002898000000000 ] - [ 0.0003163400000000, 0.0001222600000000, -0.0004288600000000 ] - [ 0.0001217900000000, -0.0000902300000000, -0.0002175600000000 ] - [ 0.0001423300000000, -0.0000108500000000, -0.0005249200000000 ] - [ -0.0002086300000000, -0.0014921700000000, 0.0001921300000000 ] - [ -0.0000143300000000, -0.0001677700000000, -0.0002917800000000 ] - [ 0.0001793900000000, -0.0004454100000000, -0.0001738100000000 ] - [ -0.0000996200000000, 0.0003094900000000, -0.0004324500000000 ] - [ -0.0001335500000000, -0.0001317600000000, -0.0004776800000000 ] - [ -0.0001162100000000, 0.0000463000000000, -0.0003843800000000 ] - [ 0.0003960600000000, -0.0002220000000000, -0.0010306500000000 ] - [ 0.0001236000000000, -0.0001218600000000, 0.0004792400000000 ] - [ 0.0001153000000000, 0.0002309600000000, -0.0001587300000000 ] - [ -0.0001394400000000, 0.0000754500000000, -0.0002095300000000 ] - [ -0.0003122100000000, 0.0003947900000000, 0.0006353000000000 ] - [ -0.0003356800000000, 0.0001260400000000, -0.0002121700000000 ] - [ 0.0001493000000000, -0.0000453000000000, -0.0002970600000000 ] - [ 0.0000790900000000, -0.0002947400000000, 0.0002483000000000 ] - [ 0.0000897300000000, -0.0002435500000000, -0.0001329800000000 ] - [ -0.0000918600000000, -0.0001218400000000, -0.0000491700000000 ] - [ -0.0000883700000000, 0.0002078900000000, -0.0001045500000000 ] - [ 0.0001334200000000, 0.0000030400000000, -0.0005922100000000 ] - [ 0.0000449800000000, 0.0001201100000000, 0.0009460000000000 ] - [ 0.0033051500000000, -0.0002706500000000, -0.0004437500000000 ] - [ 0.0000534800000000, -0.0000879100000000, -0.0003214300000000 ] - [ -0.0000944700000000, -0.0000343200000000, -0.0010030700000000 ] - [ -0.0029097800000000, 0.0037630900000000, 0.0015406600000000 ] - [ -0.0000024400000000, -0.0000000300000000, -0.0013493600000000 ] - [ 0.0002008700000000, -0.0002392400000000, -0.0008790600000000 ] - [ -0.0000875400000000, 0.0000541100000000, -0.0017054300000000 ] - [ -0.0021153000000000, 0.0004290500000000, 0.0021692000000000 ] - [ 0.0029426700000000, -0.0034850900000000, -0.0015311700000000 ] - [ 0.0005164100000000, 0.0003553300000000, 0.0015158700000000 ] - [ -0.0462816300000000, -0.0820916600000000, 0.1215208200000000 ] - [ -0.0006897300000000, -0.0001652000000000, -0.0009058400000000 ] - [ -0.0000318700000000, 0.0000315000000000, 0.0016302500000000 ] - [ 0.0000941700000000, 0.0003265100000000, 0.0014490500000000 ] - [ -0.0000712400000000, -0.0002054200000000, -0.0025604000000000 ] - [ -0.0000192000000000, 0.0000779000000000, -0.0003193800000000 ] - [ 0.0008303500000000, 0.0010186400000000, -0.0015537500000000 ] - [ 0.0002105500000000, -0.0000142400000000, -0.0009419600000000 ] - [ 0.0009936300000000, 0.0015822900000000, -0.0006474800000000 ] - [ 0.0015782200000000, -0.0012875100000000, -0.0005216200000000 ] - [ 0.0001664700000000, -0.0000592500000000, -0.0008726100000000 ] - [ -0.0001173000000000, 0.0000464800000000, -0.0009441800000000 ] - [ -0.0000472500000000, -0.0000805300000000, 0.0001766800000000 ] - [ -0.0000442300000000, 0.0000751500000000, 0.0001773600000000 ] - [ 0.0001288100000000, 0.0000008700000000, 0.0004589400000000 ] - [ 0.0000682500000000, -0.0001611000000000, 0.0005165200000000 ] - [ 0.0002014100000000, 0.0000573400000000, 0.0006970300000000 ] - [ 0.0002756600000000, 0.0000649300000000, 0.0013942800000000 ] - [ -0.0001780900000000, -0.0002906400000000, 0.0007682600000000 ] - [ 0.0003137000000000, -0.0009469100000000, -0.0004397100000000 ] - [ 0.0001172300000000, 0.0002208600000000, 0.0001149100000000 ] - [ 0.0003224700000000, 0.0001358000000000, 0.0003186000000000 ] - [ 0.0001777500000000, 0.0001633000000000, -0.0000749200000000 ] - [ -0.0000228000000000, 0.0000081800000000, 0.0003915300000000 ] - [ -0.0202677500000000, -0.0379903600000000, 0.0256977800000000 ] - [ -0.0002083800000000, 0.0002495400000000, 0.0014487800000000 ] - [ 0.0011878900000000, -0.0000603400000000, 0.0001460800000000 ] - [ -0.0006336900000000, -0.0000309000000000, -0.0000681200000000 ] - [ 0.0001133400000000, -0.0003511500000000, -0.0006731600000000 ] - [ -0.0000389100000000, -0.0000867700000000, 0.0003650000000000 ] - [ 0.0012067200000000, -0.0005603200000000, -0.0004220000000000 ] - [ 0.0004003400000000, 0.0006465700000000, -0.0001339500000000 ] - [ -0.0003528500000000, 0.0000394800000000, 0.0006158400000000 ] - [ 0.0616541200000000, 0.1092037700000000, -0.1235332100000000 ] - [ 0.0004260200000000, 0.0001290400000000, 0.0003776700000000 ] - [ -0.0034468400000000, 0.0016293000000000, 0.0016053900000000 ] - [ -0.0000823000000000, -0.0000125600000000, 0.0004299200000000 ] - [ -0.0004631100000000, -0.0006970000000000, 0.0008289500000000 ] - [ -0.0000043000000000, -0.0000731300000000, -0.0008734100000000 ] - [ 0.0000388600000000, -0.0000505700000000, 0.0002312600000000 ] - [ -0.0000529400000000, 0.0000811400000000, 0.0003651000000000 ] - [ -0.0000561500000000, -0.0001383500000000, -0.0011091200000000 ] - [ -0.0000952800000000, 0.0003703200000000, 0.0003480900000000 ] - [ 0.0000775200000000, -0.0000621400000000, 0.0016486500000000 ] - [ -0.0002042000000000, 0.0000093800000000, 0.0002264200000000 ] - [ 0.0000694700000000, 0.0002232000000000, 0.0005412100000000 ] - [ 0.0045236800000000, 0.0025506900000000, -0.0169922300000000 ] - [ 0.0028775000000000, -0.0026677500000000, 0.0003443200000000 ] - [ -0.0004249500000000, -0.0001286400000000, -0.0007520100000000 ] - [ 0.0000905700000000, 0.0001664200000000, -0.0006509700000000 ] - [ -0.0003870600000000, -0.0002015400000000, 0.0001222100000000 ] - [ -0.0001845300000000, -0.0003831600000000, 0.0003854600000000 ] - [ -0.0000329300000000, 0.0000062800000000, 0.0004489300000000 ] - [ -0.0000156500000000, -0.0004940300000000, 0.0003179800000000 ] - [ -0.0006670900000000, 0.0006394700000000, 0.0000352800000000 ] - [ -0.0003272600000000, -0.0001075500000000, -0.0006647000000000 ] - [ -0.0002165700000000, 0.0003991700000000, 0.0004012400000000 ] - [ -0.0000151000000000, 0.0001314800000000, 0.0006506100000000 ] - [ 0.0001462900000000, -0.0003820000000000, -0.0007529700000000 ] - [ 0.0001664100000000, 0.0000135200000000, 0.0000002400000000 ] - [ -0.0000176900000000, -0.0001359600000000, 0.0006674400000000 ] - [ 0.0009821200000000, 0.0000995900000000, 0.0001693000000000 ] - [ -0.0001903000000000, -0.0001369200000000, 0.0008218700000000 ] - [ -0.0002813500000000, 0.0002370900000000, 0.0007633800000000 ] - [ 0.0002124800000000, 0.0000307400000000, 0.0004231800000000 ] - [ -0.0006648400000000, -0.0008123200000000, 0.0001261800000000 ] - [ -0.0000779500000000, 0.0000189100000000, 0.0000021600000000 ] - [ 0.0001734200000000, -0.0006221600000000, -0.0009319400000000 ] - [ -0.0009439700000000, 0.0011583700000000, 0.0003545600000000 ] - [ 0.0010142700000000, -0.0008574500000000, -0.0011330700000000 ] - [ 0.0005725600000000, -0.0000329600000000, -0.0019419300000000 ] - [ 0.0007507000000000, -0.0004060700000000, 0.0000666300000000 ] - [ -0.0013628700000000, 0.0006409100000000, -0.0003783600000000 ] - [ 0.0002140900000000, -0.0000683000000000, 0.0006676800000000 ] - [ -0.0001186500000000, -0.0003785100000000, 0.0003547900000000 ] - [ -0.0005894600000000, 0.0009281800000000, -0.0000769800000000 ] - [ 0.0000501800000000, 0.0000252000000000, -0.0007161300000000 ] - [ 0.0000224700000000, -0.0001308700000000, 0.0004518500000000 ] - [ 0.0000949200000000, 0.0000276500000000, 0.0014183100000000 ] - [ 0.0000487800000000, 0.0000457100000000, 0.0002060000000000 ] - [ 0.0000033700000000, 0.0000024800000000, 0.0013541300000000 ] - [ 0.0004129000000000, -0.0006256700000000, -0.0000500100000000 ] - [ 0.0003383600000000, 0.0005780000000000, -0.0000723200000000 ] - [ 0.0006285600000000, 0.0078726300000000, -0.0170107300000000 ] - [ 0.0002899100000000, 0.0005001200000000, -0.0008440200000000 ] - [ -0.0007381100000000, 0.0000031500000000, -0.0001600200000000 ] - [ -0.0001317700000000, 0.0003265300000000, 0.0001082400000000 ] - [ 0.0003342800000000, -0.0006630900000000, -0.0001592100000000 ] - [ -0.0004368600000000, -0.0007073000000000, -0.0001570100000000 ] - [ 0.0003920800000000, -0.0001261400000000, 0.0003545600000000 ] - [ -0.0006039900000000, 0.0007729100000000, -0.0002627200000000 ] - [ -0.0000708500000000, -0.0000434700000000, -0.0008796800000000 ] - [ -0.0004775300000000, 0.0006096400000000, 0.0008085400000000 ] - [ -0.0007985700000000, -0.0001515500000000, -0.0009198000000000 ] - [ -0.0001319000000000, 0.0001055200000000, 0.0006437400000000 ] - [ -0.0004435500000000, -0.0010091300000000, 0.0001287400000000 ] - [ -0.0002344800000000, -0.0001460900000000, 0.0012770800000000 ] - [ 0.0000151500000000, 0.0001308600000000, 0.0004862500000000 ] - [ -0.0001324700000000, -0.0000841300000000, 0.0006485300000000 ] - [ 0.0000187500000000, -0.0000981100000000, 0.0002484400000000 ] - [ 0.0001714400000000, -0.0004689100000000, 0.0002621300000000 ] - [ -0.0016385300000000, -0.0029898600000000, 0.0001068600000000 ] - [ -0.0005114300000000, 0.0000397800000000, -0.0004665800000000 ] - [ 0.0000114200000000, -0.0000382800000000, 0.0003544000000000 ] - [ 0.0001901700000000, 0.0000013600000000, -0.0004254500000000 ] - [ -0.0000226300000000, 0.0000178200000000, 0.0005243300000000 ] - [ 0.0002983000000000, -0.0000716100000000, -0.0006003300000000 ] - [ -0.0000109000000000, 0.0000121500000000, 0.0002482000000000 ] - [ -0.0000764800000000, -0.0001301700000000, -0.0003391600000000 ] - [ 0.0000277600000000, 0.0000958700000000, 0.0006606200000000 ] - [ 0.0000122500000000, 0.0000196400000000, 0.0003545100000000 ] - [ 0.0007769900000000, 0.0015814900000000, 0.0023640300000000 ] - [ 0.0013973000000000, 0.0020218900000000, -0.0008460300000000 ] - [ -0.0000937800000000, -0.0000927500000000, -0.0003641300000000 ] - [ -0.0003134900000000, 0.0000186800000000, 0.0002632100000000 ] - [ -0.0001602600000000, 0.0002197500000000, -0.0005294900000000 ] - [ 0.0001577400000000, 0.0004858200000000, 0.0003612000000000 ]- atom: 106 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000219900000000, 0.0002188800000000, 0.0004421400000000 ] - [ -0.0000648300000000, 0.0001302600000000, 0.0005179600000000 ] - [ 0.0002690600000000, 0.0002168600000000, 0.0005219600000000 ] - [ -0.0000427100000000, -0.0002282000000000, 0.0006251200000000 ] - [ -0.0019663100000000, -0.0002439400000000, -0.0033153500000000 ] - [ -0.0003617600000000, -0.0006833600000000, -0.0026382300000000 ] - [ 0.0002430200000000, 0.0000273900000000, -0.0002471100000000 ] - [ 0.0000299500000000, -0.0000656500000000, -0.0014495500000000 ] - [ -0.0001560300000000, 0.0004949500000000, -0.0001565500000000 ] - [ -0.0001376000000000, 0.0002389800000000, -0.0002599200000000 ] - [ -0.0000443200000000, 0.0002525800000000, 0.0006379700000000 ] - [ -0.0000665300000000, 0.0001910700000000, -0.0012530700000000 ] - [ 0.0001961600000000, 0.0002609000000000, 0.0000917400000000 ] - [ 0.0015266600000000, 0.0027515500000000, 0.0031315900000000 ] - [ 0.0003631900000000, -0.0005049500000000, -0.0008912800000000 ] - [ -0.0000711200000000, -0.0001175800000000, 0.0005238000000000 ] - [ 0.0002800700000000, 0.0000158800000000, 0.0006746400000000 ] - [ 0.0001048800000000, 0.0000718800000000, 0.0004664700000000 ] - [ -0.0000036900000000, 0.0001363900000000, 0.0004177200000000 ] - [ 0.0002786100000000, 0.0000788800000000, 0.0006018500000000 ] - [ -0.0004923300000000, -0.0005054800000000, -0.0000316400000000 ] - [ 0.0000453400000000, 0.0000455500000000, 0.0004707000000000 ] - [ 0.0000220200000000, -0.0002255200000000, 0.0004696300000000 ] - [ 0.0000401800000000, 0.0000038900000000, 0.0003350900000000 ] - [ 0.0001772600000000, 0.0000335400000000, 0.0007306300000000 ] - [ -0.0000769600000000, -0.0003506300000000, 0.0000282400000000 ] - [ -0.0001622900000000, 0.0002317500000000, 0.0001106700000000 ] - [ -0.0003171100000000, -0.0001596100000000, 0.0000369500000000 ] - [ 0.0001880900000000, -0.0002138900000000, 0.0005896600000000 ] - [ 0.0018106200000000, -0.0026375800000000, 0.0009166700000000 ] - [ 0.0023105900000000, 0.0012345500000000, -0.0000349200000000 ] - [ 0.0001510800000000, 0.0000491900000000, -0.0009892100000000 ] - [ 0.0003113800000000, -0.0000478400000000, 0.0000113300000000 ] - [ 0.0004383000000000, 0.0000469500000000, 0.0000634400000000 ] - [ 0.0006728900000000, -0.0018874100000000, -0.0033988400000000 ] - [ -0.0001188500000000, -0.0000609100000000, 0.0004816300000000 ] - [ -0.0001892300000000, -0.0004375800000000, -0.0000494700000000 ] - [ -0.0005764900000000, 0.0000534300000000, -0.0008240900000000 ] - [ -0.0000247000000000, -0.0004826300000000, -0.0002457800000000 ] - [ -0.0000697800000000, -0.0004028800000000, -0.0001750400000000 ] - [ 0.0001527900000000, -0.0000780000000000, -0.0001670600000000 ] - [ 0.0001130100000000, -0.0000923800000000, 0.0004754200000000 ] - [ -0.0002568000000000, -0.0001842400000000, 0.0001810300000000 ] - [ -0.0000072400000000, 0.0019038900000000, -0.0002258400000000 ] - [ -0.0000182900000000, -0.0001330800000000, 0.0004042300000000 ] - [ 0.0001586200000000, 0.0001943100000000, 0.0005965700000000 ] - [ -0.0001888700000000, 0.0000547700000000, -0.0001613200000000 ] - [ -0.0001109000000000, -0.0000470000000000, 0.0005913700000000 ] - [ -0.0001164700000000, 0.0001296100000000, 0.0005046300000000 ] - [ -0.0001628200000000, 0.0002332600000000, 0.0006989600000000 ] - [ -0.0002842200000000, 0.0001841800000000, 0.0000161800000000 ] - [ -0.0004990700000000, -0.0000631500000000, 0.0005813300000000 ] - [ -0.0001358800000000, 0.0000361700000000, 0.0004673300000000 ] - [ 0.0000084300000000, -0.0000810300000000, -0.0008906300000000 ] - [ 0.0002720500000000, -0.0002338200000000, 0.0004777200000000 ] - [ 0.0001182900000000, -0.0000683600000000, 0.0004176000000000 ] - [ -0.0003069700000000, -0.0000887800000000, -0.0002602600000000 ] - [ -0.0004889700000000, 0.0000757600000000, 0.0005551800000000 ] - [ -0.0000477800000000, -0.0001204000000000, 0.0006350900000000 ] - [ -0.0000442200000000, 0.0000366500000000, 0.0006934700000000 ] - [ 0.0003286500000000, -0.0000693300000000, 0.0000004600000000 ] - [ -0.0003565800000000, -0.0004641500000000, -0.0011947000000000 ] - [ -0.0030159900000000, 0.0002808700000000, 0.0005653400000000 ] - [ -0.0000023400000000, -0.0000034200000000, 0.0009135800000000 ] - [ 0.0000256500000000, 0.0001463200000000, 0.0012427000000000 ] - [ 0.0029434100000000, -0.0037967600000000, -0.0013961200000000 ] - [ 0.0000030600000000, -0.0000004700000000, 0.0003608000000000 ] - [ 0.0000807900000000, 0.0007297000000000, 0.0007739700000000 ] - [ 0.0000877000000000, -0.0000547700000000, 0.0007213100000000 ] - [ 0.0021108900000000, -0.0004239800000000, -0.0012611200000000 ] - [ -0.0029630600000000, 0.0035199200000000, 0.0008561000000000 ] - [ -0.0002892300000000, 0.0000513000000000, -0.0019810100000000 ] - [ 0.0448743000000000, 0.0804157000000000, -0.1222991900000000 ] - [ 0.0001252600000000, 0.0001672600000000, 0.0008015200000000 ] - [ 0.0000147600000000, -0.0000427500000000, -0.0014900600000000 ] - [ 0.0001394800000000, -0.0007395900000000, -0.0019207000000000 ] - [ -0.0000331300000000, 0.0002024800000000, 0.0031417200000000 ] - [ 0.0000745100000000, 0.0000185800000000, 0.0009168100000000 ] - [ -0.0005539900000000, -0.0015205200000000, 0.0014566100000000 ] - [ -0.0000782600000000, 0.0000122000000000, 0.0011807800000000 ] - [ -0.0009787300000000, -0.0015959900000000, 0.0000646200000000 ] - [ -0.0015863900000000, 0.0013000500000000, -0.0000653400000000 ] - [ -0.0001674000000000, 0.0000613800000000, 0.0015759100000000 ] - [ 0.0000493300000000, -0.0001629600000000, 0.0011849400000000 ] - [ 0.0000454900000000, 0.0000764700000000, -0.0004165900000000 ] - [ 0.0000415500000000, -0.0000780100000000, -0.0004175400000000 ] - [ -0.0001261400000000, 0.0000029800000000, -0.0001319000000000 ] - [ 0.0000474400000000, -0.0000353100000000, -0.0002642200000000 ] - [ 0.0002234700000000, 0.0001188100000000, -0.0001472300000000 ] - [ 0.0003463400000000, -0.0000688100000000, -0.0009686500000000 ] - [ 0.0001772300000000, 0.0002902200000000, 0.0002895800000000 ] - [ -0.0001192500000000, 0.0012311400000000, -0.0002071800000000 ] - [ 0.0000394400000000, 0.0000512000000000, -0.0002085500000000 ] - [ -0.0006313300000000, -0.0001297300000000, -0.0004120900000000 ] - [ 0.0000904300000000, -0.0000128100000000, -0.0004230700000000 ] - [ 0.0000216200000000, -0.0000111400000000, -0.0012088300000000 ] - [ 0.0199141400000000, 0.0371422700000000, -0.0244126600000000 ] - [ -0.0002909400000000, 0.0001376400000000, -0.0010719600000000 ] - [ -0.0000826300000000, 0.0000647000000000, 0.0006517000000000 ] - [ -0.0010273200000000, -0.0000215900000000, -0.0009001300000000 ] - [ 0.0000885300000000, 0.0000813600000000, 0.0000287800000000 ] - [ -0.0000533800000000, -0.0000732900000000, -0.0005636300000000 ] - [ -0.0015607700000000, 0.0006016900000000, -0.0002258600000000 ] - [ 0.0004677400000000, 0.0007601000000000, -0.0008341200000000 ] - [ 0.0001271500000000, -0.0000382600000000, -0.0003644900000000 ] - [ -0.0602825100000000, -0.1067303100000000, 0.1234062200000000 ] - [ 0.0001358500000000, 0.0001119200000000, -0.0000050300000000 ] - [ 0.0033551200000000, -0.0014278100000000, -0.0016136500000000 ] - [ -0.0000508300000000, -0.0002188700000000, -0.0007981800000000 ] - [ 0.0004647100000000, 0.0010126700000000, -0.0013359600000000 ] - [ -0.0000413500000000, 0.0001449000000000, 0.0013199100000000 ] - [ 0.0001888800000000, -0.0003355400000000, -0.0005658900000000 ] - [ -0.0000409200000000, 0.0000668600000000, -0.0005632700000000 ] - [ 0.0000645200000000, 0.0001514000000000, 0.0010925000000000 ] - [ 0.0000234600000000, 0.0002356700000000, 0.0000241100000000 ] - [ -0.0000811900000000, 0.0000586900000000, -0.0000278300000000 ] - [ -0.0002450600000000, -0.0000056800000000, -0.0005609000000000 ] - [ 0.0000440800000000, -0.0000277200000000, -0.0002902900000000 ] - [ -0.0045977500000000, -0.0023846100000000, 0.0165754900000000 ] - [ -0.0027708000000000, 0.0023852400000000, -0.0010002500000000 ] - [ -0.0000990200000000, 0.0001384400000000, 0.0005075000000000 ] - [ 0.0001624200000000, 0.0002941700000000, 0.0004049300000000 ] - [ 0.0001297600000000, 0.0003687800000000, -0.0006248600000000 ] - [ -0.0001284600000000, -0.0001591300000000, 0.0000375300000000 ] - [ 0.0001634600000000, -0.0000003700000000, -0.0009622600000000 ] - [ 0.0001764900000000, 0.0002363200000000, -0.0004133500000000 ] - [ 0.0005870400000000, -0.0007894200000000, 0.0002759500000000 ] - [ 0.0000033200000000, 0.0000757200000000, 0.0000237200000000 ] - [ -0.0000991000000000, 0.0001388000000000, 0.0000204100000000 ] - [ -0.0003541900000000, 0.0001450400000000, -0.0000996300000000 ] - [ 0.0001135800000000, -0.0000961700000000, 0.0005064200000000 ] - [ 0.0001062000000000, -0.0001575600000000, -0.0005014700000000 ] - [ -0.0003332800000000, -0.0001349100000000, -0.0001196800000000 ] - [ -0.0015261600000000, 0.0008556300000000, 0.0006292000000000 ] - [ 0.0000611400000000, 0.0003796700000000, -0.0011910900000000 ] - [ 0.0002793500000000, -0.0002386500000000, 0.0002971900000000 ] - [ 0.0000604900000000, -0.0000240100000000, -0.0007882300000000 ] - [ 0.0005759600000000, 0.0009701900000000, 0.0001783600000000 ] - [ -0.0001844800000000, -0.0001760000000000, -0.0005006000000000 ] - [ -0.0000764400000000, 0.0004408100000000, 0.0005996000000000 ] - [ 0.0011169400000000, -0.0011552300000000, -0.0000421500000000 ] - [ -0.0010209000000000, 0.0008627800000000, 0.0011153800000000 ] - [ -0.0005741800000000, 0.0000339700000000, 0.0010671900000000 ] - [ -0.0012985300000000, -0.0005475600000000, 0.0007312100000000 ] - [ 0.0016216000000000, -0.0006481800000000, 0.0003871600000000 ] - [ 0.0002104300000000, -0.0001140800000000, -0.0001167200000000 ] - [ 0.0000460000000000, -0.0002396300000000, 0.0000169600000000 ] - [ 0.0004669500000000, -0.0011527800000000, 0.0000878000000000 ] - [ 0.0000535900000000, 0.0001560500000000, 0.0003819900000000 ] - [ -0.0000823700000000, 0.0000263100000000, -0.0009646400000000 ] - [ 0.0000801100000000, -0.0000348600000000, -0.0016127300000000 ] - [ 0.0001761400000000, 0.0003440100000000, -0.0005418400000000 ] - [ -0.0000052100000000, -0.0000070500000000, 0.0002701600000000 ] - [ 0.0004512800000000, -0.0007885000000000, -0.0009186300000000 ] - [ 0.0004466600000000, 0.0008786500000000, -0.0008968600000000 ] - [ -0.0002785400000000, -0.0081058000000000, 0.0167050600000000 ] - [ -0.0001465200000000, -0.0001862600000000, 0.0002047800000000 ] - [ -0.0009188500000000, 0.0000385800000000, -0.0008075100000000 ] - [ 0.0001276500000000, -0.0006350500000000, -0.0006067100000000 ] - [ 0.0004501700000000, -0.0008005300000000, -0.0008076700000000 ] - [ 0.0003508100000000, 0.0005697200000000, 0.0004723400000000 ] - [ 0.0001936500000000, -0.0001132100000000, 0.0000172800000000 ] - [ 0.0005190400000000, -0.0006379500000000, 0.0005795900000000 ] - [ 0.0000284300000000, -0.0000331400000000, 0.0013272700000000 ] - [ 0.0004779900000000, -0.0006215600000000, -0.0008883000000000 ] - [ 0.0002636700000000, 0.0001367700000000, 0.0006746500000000 ] - [ 0.0000716700000000, 0.0003496100000000, -0.0000935800000000 ] - [ 0.0006034900000000, 0.0010034400000000, 0.0001820100000000 ] - [ -0.0002639600000000, -0.0002253000000000, -0.0009033200000000 ] - [ -0.0000749700000000, -0.0000141200000000, -0.0009988900000000 ] - [ 0.0000730700000000, -0.0003552200000000, -0.0001007000000000 ] - [ 0.0000244500000000, 0.0000117100000000, -0.0002994900000000 ] - [ -0.0002877300000000, 0.0002651200000000, -0.0000543400000000 ] - [ 0.0016498600000000, 0.0029996500000000, 0.0000413300000000 ] - [ 0.0000683500000000, -0.0000355500000000, 0.0007975000000000 ] - [ 0.0000166200000000, -0.0000113900000000, -0.0003388300000000 ] - [ -0.0002018000000000, 0.0000022600000000, 0.0005895900000000 ] - [ -0.0000344900000000, -0.0000188900000000, -0.0005089400000000 ] - [ -0.0000741400000000, 0.0004831700000000, 0.0009275900000000 ] - [ 0.0000543500000000, 0.0000627200000000, -0.0003050500000000 ] - [ 0.0000953600000000, 0.0001630900000000, -0.0003590100000000 ] - [ -0.0001254100000000, -0.0001032300000000, -0.0007150300000000 ] - [ 0.0000149700000000, 0.0000273200000000, -0.0003408600000000 ] - [ -0.0008032800000000, -0.0015948800000000, -0.0030987600000000 ] - [ -0.0011592600000000, -0.0024050100000000, 0.0011885800000000 ] - [ 0.0001094700000000, 0.0000835100000000, -0.0003381600000000 ] - [ 0.0005526700000000, -0.0000163000000000, -0.0000569600000000 ] - [ 0.0001606400000000, -0.0002352000000000, 0.0006972500000000 ] - [ -0.0002751500000000, -0.0002748400000000, -0.0001524700000000 ]- atom: 108 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000167900000000, 0.0002261000000000, 0.0002664200000000 ] - [ -0.0000625800000000, 0.0001569200000000, 0.0002918900000000 ] - [ 0.0000324400000000, 0.0000437100000000, 0.0002326700000000 ] - [ -0.0000088100000000, -0.0001470500000000, 0.0001733500000000 ] - [ 0.0022674900000000, 0.0005063900000000, 0.0003965000000000 ] - [ 0.0041578700000000, -0.0002479800000000, 0.0003824600000000 ] - [ 0.0006980200000000, 0.0006672400000000, -0.0002434100000000 ] - [ 0.0007994300000000, -0.0008911400000000, -0.0001437700000000 ] - [ -0.0001601000000000, 0.0003794500000000, 0.0001651700000000 ] - [ -0.0028640100000000, -0.0022733100000000, 0.0002531900000000 ] - [ -0.0000304900000000, 0.0001332200000000, 0.0001521100000000 ] - [ -0.0009238700000000, -0.0003966300000000, -0.0004415900000000 ] - [ -0.0004996700000000, -0.0005366300000000, -0.0006510400000000 ] - [ 0.0000697600000000, 0.0000696300000000, 0.0008117700000000 ] - [ 0.0001934300000000, -0.0005351300000000, -0.0001369300000000 ] - [ -0.0000453000000000, -0.0001608000000000, 0.0002764000000000 ] - [ 0.0002084300000000, -0.0000185500000000, 0.0002606600000000 ] - [ 0.0000986900000000, 0.0001261400000000, 0.0001679500000000 ] - [ -0.0000465600000000, -0.0000159300000000, 0.0003132200000000 ] - [ -0.0009933000000000, 0.0002508800000000, -0.0008682100000000 ] - [ 0.0038985300000000, 0.0026246600000000, -0.0005903100000000 ] - [ 0.0004161600000000, -0.0000654500000000, -0.0000347400000000 ] - [ 0.0000397000000000, -0.0001964000000000, 0.0002756900000000 ] - [ 0.0000722200000000, 0.0000013200000000, 0.0001741600000000 ] - [ -0.0001050200000000, -0.0000217700000000, 0.0003424100000000 ] - [ -0.0003068400000000, 0.0003016100000000, -0.0003082100000000 ] - [ -0.0002888800000000, 0.0014364700000000, 0.0010153900000000 ] - [ -0.0001319700000000, 0.0000005100000000, 0.0000356300000000 ] - [ 0.0001795900000000, 0.0000880800000000, 0.0002806700000000 ] - [ 0.0001490600000000, -0.0001836500000000, 0.0005263200000000 ] - [ -0.0011574600000000, -0.0002141400000000, -0.0000539200000000 ] - [ -0.0005850500000000, -0.0000556900000000, -0.0036510900000000 ] - [ 0.0001847000000000, 0.0000543000000000, 0.0002140200000000 ] - [ 0.0003497700000000, -0.0000120600000000, 0.0003720500000000 ] - [ -0.0005254800000000, 0.0008848400000000, 0.0005068000000000 ] - [ -0.0001374100000000, -0.0000185200000000, 0.0001593800000000 ] - [ -0.0006787400000000, 0.0015579300000000, -0.0001811500000000 ] - [ -0.0008473600000000, 0.0003508600000000, -0.0005019900000000 ] - [ -0.0003063100000000, -0.0006949700000000, -0.0001091300000000 ] - [ -0.0001072200000000, -0.0002272700000000, 0.0000318500000000 ] - [ -0.0000502900000000, 0.0006544300000000, -0.0001819000000000 ] - [ 0.0000921400000000, -0.0001109600000000, 0.0001746900000000 ] - [ 0.0003487100000000, -0.0014042700000000, 0.0011416600000000 ] - [ -0.0001009000000000, -0.0017295000000000, -0.0004106600000000 ] - [ -0.0000779600000000, 0.0000213100000000, 0.0003241800000000 ] - [ 0.0001536700000000, -0.0000840000000000, 0.0003020400000000 ] - [ 0.0002544700000000, 0.0000722900000000, -0.0002316100000000 ] - [ -0.0001014100000000, -0.0002847600000000, -0.0002470900000000 ] - [ 0.0000156900000000, 0.0000354100000000, 0.0000400600000000 ] - [ 0.0013249800000000, -0.0013741500000000, -0.0021232000000000 ] - [ -0.0001387900000000, 0.0000024300000000, 0.0000353000000000 ] - [ -0.0002474300000000, 0.0000931700000000, 0.0002655700000000 ] - [ -0.0001078900000000, 0.0000458500000000, 0.0001590300000000 ] - [ -0.0001989200000000, 0.0001832200000000, -0.0001639100000000 ] - [ 0.0000106100000000, -0.0000746400000000, 0.0002058800000000 ] - [ 0.0001654200000000, 0.0001011100000000, 0.0001896800000000 ] - [ -0.0027566200000000, 0.0026187300000000, 0.0003274900000000 ] - [ -0.0002593200000000, -0.0000999300000000, 0.0002701300000000 ] - [ -0.0000677100000000, -0.0001518500000000, 0.0003679400000000 ] - [ -0.0001869500000000, 0.0003715600000000, 0.0001981900000000 ] - [ -0.0001230300000000, -0.0003264900000000, -0.0001577600000000 ] - [ 0.0002078900000000, 0.0004645200000000, 0.0002773800000000 ] - [ -0.0002751400000000, -0.0000091700000000, 0.0002216700000000 ] - [ 0.0000117200000000, 0.0000650300000000, 0.0004010800000000 ] - [ 0.0000343200000000, 0.0000546500000000, 0.0001778400000000 ] - [ -0.0022469600000000, 0.0014126100000000, 0.0000276800000000 ] - [ -0.0000770400000000, 0.0001157500000000, -0.0005144800000000 ] - [ 0.0010797500000000, 0.0000116300000000, 0.0000924600000000 ] - [ -0.0003540500000000, 0.0000923900000000, -0.0006412100000000 ] - [ 0.0005611500000000, -0.0002605000000000, 0.0003652500000000 ] - [ 0.1485269200000000, -0.1092591500000000, -0.0450665200000000 ] - [ 0.0015127600000000, -0.0020397700000000, -0.0013212400000000 ] - [ -0.0041044100000000, -0.0045872900000000, 0.0023874100000000 ] - [ -0.0030358200000000, -0.0002616500000000, 0.0013510300000000 ] - [ -0.0009142300000000, -0.0000944800000000, -0.0002005500000000 ] - [ 0.0008063800000000, 0.0028460900000000, -0.0011957800000000 ] - [ -0.0001144600000000, -0.0000606400000000, 0.0006371300000000 ] - [ 0.0000962700000000, -0.0000025400000000, 0.0004018900000000 ] - [ 0.0015730800000000, 0.0030471400000000, -0.0021710700000000 ] - [ -0.0000664700000000, -0.0000116000000000, 0.0003766600000000 ] - [ -0.0001690500000000, 0.0000754200000000, -0.0001476100000000 ] - [ -0.0006399400000000, 0.0001381000000000, -0.0000734800000000 ] - [ 0.0006626100000000, -0.0003882500000000, 0.0012653500000000 ] - [ 0.0000338400000000, -0.0000477800000000, 0.0003081900000000 ] - [ 0.0000047300000000, -0.0000057900000000, -0.0001631100000000 ] - [ 0.0000212500000000, -0.0000083700000000, -0.0001637200000000 ] - [ -0.0000283900000000, 0.0000118100000000, 0.0000876600000000 ] - [ -0.0001721100000000, 0.0001030500000000, -0.0004707800000000 ] - [ 0.0001885400000000, 0.0001108200000000, 0.0002708800000000 ] - [ 0.0003506500000000, 0.0000095000000000, 0.0000936600000000 ] - [ 0.0000277700000000, -0.0000286200000000, 0.0004285500000000 ] - [ 0.0005603700000000, -0.0003599700000000, -0.0002301300000000 ] - [ -0.0000829800000000, 0.0002356700000000, -0.0000327000000000 ] - [ 0.0012885400000000, 0.0000818000000000, 0.0001244300000000 ] - [ 0.0014093000000000, 0.0003217600000000, -0.0013529100000000 ] - [ -0.0001249400000000, 0.0000614900000000, -0.0008347900000000 ] - [ 0.0005829400000000, 0.0008424500000000, -0.0013499100000000 ] - [ -0.0002462600000000, 0.0002043100000000, 0.0000538000000000 ] - [ 0.0001409500000000, 0.0000261400000000, 0.0003471900000000 ] - [ -0.0006119500000000, 0.0000020400000000, -0.0004617300000000 ] - [ 0.0000635700000000, -0.0001800500000000, -0.0002566900000000 ] - [ -0.0000629600000000, -0.0000634900000000, -0.0001867400000000 ] - [ 0.0012038000000000, 0.0000113600000000, -0.0000488700000000 ] - [ 0.0004720300000000, 0.0006880100000000, -0.0004770500000000 ] - [ -0.0005471200000000, 0.0001759500000000, -0.0000669700000000 ] - [ 0.0039339600000000, 0.0023554800000000, -0.0035105300000000 ] - [ 0.0002100800000000, 0.0001303200000000, 0.0001475700000000 ] - [ -0.1656952300000000, 0.1480944000000000, 0.0610898300000000 ] - [ -0.0002408400000000, -0.0000524900000000, -0.0002513500000000 ] - [ -0.0001413500000000, -0.0018721100000000, 0.0021843000000000 ] - [ -0.0001722400000000, -0.0005008200000000, 0.0007424500000000 ] - [ 0.0001160600000000, -0.0002211100000000, -0.0001647700000000 ] - [ -0.0000405700000000, 0.0000413100000000, -0.0001884500000000 ] - [ 0.0002223600000000, 0.0000270900000000, 0.0001424300000000 ] - [ -0.0000469200000000, 0.0003301400000000, 0.0001831000000000 ] - [ 0.0002438000000000, -0.0000416900000000, 0.0009320500000000 ] - [ -0.0001613700000000, 0.0000076600000000, -0.0002458400000000 ] - [ -0.0001673600000000, 0.0002279800000000, -0.0002449300000000 ] - [ 0.0019914700000000, 0.0007829100000000, -0.0000924500000000 ] - [ 0.0016569200000000, -0.0011104600000000, -0.0004212200000000 ] - [ -0.0005494400000000, -0.0005670900000000, 0.0000591600000000 ] - [ -0.0000425700000000, -0.0018324300000000, 0.0011826600000000 ] - [ -0.0010748400000000, -0.0005218300000000, 0.0005139400000000 ] - [ -0.0001563700000000, -0.0002426500000000, 0.0001884300000000 ] - [ 0.0000991300000000, 0.0000053600000000, -0.0004040600000000 ] - [ 0.0001368400000000, -0.0011939700000000, 0.0001783100000000 ] - [ 0.0002316800000000, -0.0000789100000000, 0.0001392600000000 ] - [ 0.0005145400000000, -0.0004629600000000, -0.0001576700000000 ] - [ -0.0001251300000000, 0.0001878500000000, 0.0001658700000000 ] - [ -0.0002474400000000, 0.0001087900000000, 0.0001875000000000 ] - [ -0.0001209500000000, 0.0014938700000000, 0.0010395000000000 ] - [ 0.0012665300000000, -0.0001661200000000, -0.0011853000000000 ] - [ -0.0002507300000000, -0.0001117400000000, 0.0002502800000000 ] - [ -0.0006138400000000, 0.0007770000000000, 0.0004124900000000 ] - [ -0.0003981500000000, -0.0004293600000000, 0.0010053300000000 ] - [ 0.0001191100000000, -0.0000151600000000, 0.0003884500000000 ] - [ 0.0006191900000000, 0.0000554000000000, -0.0010130600000000 ] - [ 0.0001415200000000, 0.0000539700000000, 0.0001612400000000 ] - [ -0.0006970900000000, -0.0003666900000000, -0.0003846100000000 ] - [ 0.0004161400000000, -0.0015380800000000, -0.0003730600000000 ] - [ 0.0005020600000000, -0.0001639100000000, -0.0000945000000000 ] - [ 0.0005941800000000, -0.0003063200000000, 0.0000237800000000 ] - [ -0.0009297800000000, 0.0003038800000000, -0.0002647200000000 ] - [ -0.0004701100000000, -0.0004958100000000, 0.0004550400000000 ] - [ 0.0312368700000000, -0.0390512900000000, -0.0068766400000000 ] - [ 0.0001871200000000, -0.0001055800000000, 0.0002052500000000 ] - [ -0.0000372700000000, -0.0003485100000000, 0.0001847700000000 ] - [ -0.0166874500000000, 0.0113406000000000, 0.0005299000000000 ] - [ -0.0000856800000000, 0.0007383300000000, -0.0001081800000000 ] - [ -0.0000466200000000, -0.0000468000000000, -0.0003777000000000 ] - [ 0.0000996000000000, 0.0000125100000000, -0.0002930500000000 ] - [ 0.0001074600000000, 0.0002057800000000, -0.0002280300000000 ] - [ 0.0000386500000000, -0.0000992900000000, 0.0008392300000000 ] - [ 0.0006080100000000, -0.0007672300000000, -0.0004515100000000 ] - [ 0.0004795600000000, 0.0006687500000000, -0.0004793800000000 ] - [ 0.0006935100000000, 0.0010501000000000, -0.0006530100000000 ] - [ 0.0005584500000000, 0.0005016500000000, -0.0002720800000000 ] - [ -0.0007591800000000, -0.0000870600000000, -0.0005042200000000 ] - [ -0.0005152600000000, 0.0001887100000000, -0.0000681900000000 ] - [ 0.0003685000000000, -0.0007902500000000, -0.0005048500000000 ] - [ -0.0000561700000000, -0.0001545000000000, 0.0001079400000000 ] - [ 0.0002790300000000, -0.0001428400000000, 0.0001662700000000 ] - [ 0.0001327500000000, -0.0000633200000000, 0.0001887600000000 ] - [ -0.0003517500000000, 0.0002882600000000, 0.0007608900000000 ] - [ -0.0111542600000000, -0.0090483000000000, -0.0079332000000000 ] - [ -0.0013952300000000, 0.0007383300000000, 0.0002493300000000 ] - [ 0.0000364900000000, 0.0002576800000000, 0.0001497400000000 ] - [ 0.0001919400000000, 0.0001035200000000, 0.0000712300000000 ] - [ -0.0002207700000000, -0.0001304200000000, 0.0000295100000000 ] - [ -0.0000470900000000, 0.0000502200000000, -0.0003254500000000 ] - [ 0.0000307900000000, -0.0002407800000000, 0.0001536800000000 ] - [ 0.0001393600000000, -0.0004769500000000, -0.0002229900000000 ] - [ -0.0000878500000000, -0.0000592100000000, 0.0000407800000000 ] - [ 0.0011896700000000, -0.0046708600000000, -0.0012126800000000 ] - [ 0.0002585200000000, 0.0000133400000000, 0.0006611000000000 ] - [ 0.0000449700000000, -0.0001218400000000, -0.0000824300000000 ] - [ -0.0001798500000000, 0.0001978900000000, 0.0002291400000000 ] - [ -0.0000449200000000, 0.0000364400000000, 0.0000306800000000 ] - [ -0.0000368400000000, 0.0004352500000000, 0.0001364600000000 ] - [ -0.0001296500000000, 0.0002855800000000, -0.0002478700000000 ] - [ 0.0002871500000000, 0.0017222800000000, -0.0009625000000000 ] - [ 0.0001092800000000, 0.0002201600000000, 0.0004196200000000 ] - [ -0.0000047500000000, 0.0000840100000000, -0.0000749500000000 ] - [ 0.0026944600000000, 0.0015929000000000, 0.0013374900000000 ] - [ -0.0000056900000000, -0.0007506900000000, -0.0005876300000000 ] - [ 0.0001244300000000, -0.0015835900000000, -0.0006540200000000 ] - [ 0.0001903300000000, 0.0000055800000000, 0.0001375800000000 ] - [ 0.0026650700000000, 0.0002151600000000, 0.0008848500000000 ] - [ -0.0000938900000000, 0.0000480400000000, -0.0000876200000000 ]- atom: 108 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000345400000000, 0.0001939500000000, 0.0001634000000000 ] - [ -0.0000484000000000, 0.0000665000000000, 0.0000433900000000 ] - [ -0.0000868000000000, 0.0000644100000000, 0.0000546500000000 ] - [ 0.0000262300000000, -0.0001264400000000, 0.0000660500000000 ] - [ -0.0025172600000000, -0.0000476500000000, -0.0008505600000000 ] - [ -0.0049203800000000, 0.0000245000000000, -0.0004777800000000 ] - [ -0.0002326100000000, -0.0006921900000000, 0.0002328500000000 ] - [ -0.0010678600000000, 0.0004366300000000, -0.0002754300000000 ] - [ 0.0000349100000000, -0.0001396700000000, -0.0000375800000000 ] - [ 0.0026301300000000, 0.0026512100000000, -0.0002607200000000 ] - [ 0.0000445300000000, 0.0001545000000000, 0.0000815800000000 ] - [ 0.0007871800000000, -0.0000438200000000, 0.0001865600000000 ] - [ 0.0003017200000000, 0.0001359800000000, 0.0000703300000000 ] - [ -0.0000397900000000, -0.0002246700000000, -0.0003068500000000 ] - [ 0.0002349900000000, 0.0004292400000000, -0.0001223200000000 ] - [ -0.0000712800000000, -0.0000414700000000, 0.0000628200000000 ] - [ 0.0000404300000000, 0.0000341000000000, 0.0000743300000000 ] - [ 0.0001438300000000, 0.0000293300000000, 0.0000665100000000 ] - [ 0.0000183100000000, 0.0003157400000000, -0.0002111300000000 ] - [ 0.0008047200000000, 0.0001753400000000, 0.0002890800000000 ] - [ -0.0034928900000000, -0.0026219100000000, 0.0005860400000000 ] - [ -0.0001427600000000, 0.0001905600000000, 0.0001371500000000 ] - [ 0.0000136900000000, -0.0002374400000000, 0.0001513700000000 ] - [ 0.0000497700000000, 0.0000060000000000, 0.0001142100000000 ] - [ 0.0003874400000000, 0.0000297100000000, 0.0002381700000000 ] - [ 0.0000581700000000, -0.0006799700000000, -0.0002754100000000 ] - [ 0.0001982900000000, -0.0012499900000000, -0.0013504100000000 ] - [ -0.0000159000000000, -0.0000507200000000, 0.0004710000000000 ] - [ 0.0001589200000000, 0.0001662400000000, 0.0001489500000000 ] - [ -0.0001334900000000, 0.0003403900000000, -0.0000230100000000 ] - [ 0.0019098100000000, 0.0002038400000000, 0.0000969800000000 ] - [ 0.0011046000000000, 0.0000574700000000, 0.0031949200000000 ] - [ -0.0000579400000000, 0.0000373400000000, 0.0002907200000000 ] - [ -0.0002224000000000, -0.0000941400000000, 0.0001306100000000 ] - [ 0.0009658800000000, -0.0007849000000000, -0.0007726400000000 ] - [ -0.0001076800000000, -0.0001038600000000, 0.0000813000000000 ] - [ 0.0002973200000000, -0.0009206400000000, 0.0002242800000000 ] - [ 0.0007193200000000, 0.0000822700000000, 0.0002382300000000 ] - [ -0.0000721100000000, 0.0000384700000000, 0.0001480400000000 ] - [ -0.0000214800000000, 0.0000036800000000, 0.0001027200000000 ] - [ 0.0005198200000000, -0.0006089500000000, -0.0004014700000000 ] - [ 0.0001397500000000, -0.0000707100000000, 0.0000607400000000 ] - [ -0.0004472300000000, 0.0012305100000000, -0.0014848800000000 ] - [ -0.0001450900000000, 0.0021418900000000, 0.0004009100000000 ] - [ 0.0000481100000000, -0.0003295100000000, -0.0002319700000000 ] - [ 0.0001873200000000, -0.0001657600000000, 0.0001253200000000 ] - [ -0.0005436600000000, 0.0002917600000000, -0.0003512300000000 ] - [ -0.0001496400000000, 0.0001043300000000, 0.0003430900000000 ] - [ -0.0002561300000000, 0.0001434600000000, 0.0000607800000000 ] - [ -0.0011153000000000, 0.0013954900000000, 0.0018080000000000 ] - [ -0.0000162300000000, 0.0000545600000000, 0.0004671800000000 ] - [ -0.0001394800000000, 0.0000777700000000, 0.0001628600000000 ] - [ -0.0001655400000000, 0.0000636500000000, 0.0000761200000000 ] - [ -0.0001088100000000, 0.0001325200000000, -0.0000946200000000 ] - [ -0.0000778600000000, -0.0000421100000000, 0.0000746300000000 ] - [ 0.0001092300000000, -0.0002204700000000, -0.0000909600000000 ] - [ 0.0025365300000000, -0.0029952700000000, -0.0003275700000000 ] - [ -0.0001428700000000, -0.0000716000000000, 0.0001576800000000 ] - [ -0.0000729200000000, -0.0000923600000000, 0.0002123400000000 ] - [ 0.0000541800000000, -0.0001258800000000, 0.0003855100000000 ] - [ 0.0005832300000000, 0.0002580500000000, -0.0004247100000000 ] - [ -0.0005199700000000, -0.0008053700000000, -0.0005329800000000 ] - [ 0.0005472600000000, 0.0000208900000000, -0.0000948300000000 ] - [ 0.0000398700000000, -0.0001555300000000, 0.0001889400000000 ] - [ -0.0001035600000000, 0.0000592500000000, 0.0000561700000000 ] - [ 0.0022636600000000, -0.0014355500000000, 0.0001339400000000 ] - [ 0.0000768700000000, -0.0001161600000000, -0.0004785900000000 ] - [ -0.0008151200000000, 0.0004688900000000, -0.0001972000000000 ] - [ 0.0003551400000000, -0.0000947300000000, -0.0003511900000000 ] - [ -0.0005614400000000, 0.0002640400000000, 0.0005504200000000 ] - [ -0.1475374700000000, 0.1051421400000000, 0.0427024500000000 ] - [ -0.0012680000000000, 0.0024451800000000, 0.0008514500000000 ] - [ 0.0036509400000000, 0.0046222200000000, -0.0028837300000000 ] - [ 0.0024785300000000, 0.0002603900000000, -0.0014403100000000 ] - [ 0.0009014200000000, 0.0001034400000000, 0.0003633100000000 ] - [ -0.0005498300000000, -0.0032414700000000, 0.0007156300000000 ] - [ 0.0000103700000000, 0.0000603300000000, -0.0000482400000000 ] - [ -0.0000401500000000, 0.0000989000000000, 0.0001934500000000 ] - [ -0.0013113300000000, -0.0035588900000000, 0.0020891800000000 ] - [ 0.0002006600000000, 0.0000095600000000, -0.0001435900000000 ] - [ 0.0001833700000000, -0.0000830900000000, -0.0004530000000000 ] - [ 0.0006278900000000, -0.0001325100000000, -0.0005274800000000 ] - [ -0.0006671800000000, 0.0003934300000000, -0.0005704300000000 ] - [ -0.0001024100000000, -0.0000704800000000, -0.0000741500000000 ] - [ -0.0000060600000000, 0.0000017700000000, -0.0000745900000000 ] - [ -0.0000235300000000, 0.0000052600000000, -0.0000741000000000 ] - [ 0.0000308100000000, -0.0000080800000000, 0.0002397800000000 ] - [ 0.0002927200000000, -0.0003079500000000, 0.0007258700000000 ] - [ 0.0002390600000000, 0.0000710800000000, 0.0002672700000000 ] - [ 0.0002793600000000, -0.0000142600000000, 0.0003427000000000 ] - [ -0.0000281900000000, 0.0000272900000000, 0.0006479100000000 ] - [ -0.0003656700000000, 0.0006417600000000, -0.0004184900000000 ] - [ 0.0002448400000000, 0.0000403600000000, -0.0000573200000000 ] - [ -0.0016000400000000, -0.0000744100000000, -0.0002170100000000 ] - [ -0.0011452200000000, -0.0001736000000000, 0.0008546200000000 ] - [ 0.0001246900000000, -0.0000650700000000, 0.0000097800000000 ] - [ -0.0005011500000000, -0.0008542000000000, 0.0018144500000000 ] - [ -0.0002577800000000, 0.0001883900000000, 0.0003331900000000 ] - [ 0.0009688500000000, -0.0000215100000000, 0.0004622700000000 ] - [ -0.0010543300000000, -0.0000540600000000, -0.0005157500000000 ] - [ 0.0001415600000000, -0.0000984000000000, -0.0003924600000000 ] - [ -0.0000290500000000, -0.0000963100000000, -0.0000132000000000 ] - [ -0.0015479600000000, 0.0000300100000000, -0.0006006100000000 ] - [ 0.0003993200000000, 0.0007234100000000, -0.0005010900000000 ] - [ 0.0003155300000000, -0.0001758900000000, 0.0003173000000000 ] - [ -0.0036931800000000, -0.0019203200000000, 0.0032912500000000 ] - [ 0.0003582700000000, 0.0001113400000000, 0.0002396000000000 ] - [ 0.1644944600000000, -0.1432962400000000, -0.0593569900000000 ] - [ 0.0001100800000000, -0.0001788600000000, -0.0001222100000000 ] - [ 0.0001389400000000, 0.0021949900000000, -0.0026974900000000 ] - [ 0.0001229400000000, 0.0005682300000000, -0.0002881500000000 ] - [ 0.0001152600000000, -0.0001711900000000, -0.0001830200000000 ] - [ -0.0000530100000000, 0.0001060900000000, -0.0000107800000000 ] - [ -0.0002187500000000, -0.0000260900000000, -0.0001771900000000 ] - [ -0.0000274500000000, 0.0002821600000000, 0.0002039400000000 ] - [ -0.0002479000000000, 0.0000390900000000, 0.0006986800000000 ] - [ -0.0002942700000000, -0.0000040100000000, -0.0001017300000000 ] - [ 0.0002855200000000, -0.0000268100000000, 0.0004963300000000 ] - [ -0.0022107400000000, -0.0007981000000000, -0.0002459800000000 ] - [ -0.0015327700000000, 0.0008186600000000, -0.0002222500000000 ] - [ 0.0000137500000000, 0.0005751400000000, -0.0003171100000000 ] - [ 0.0002890000000000, 0.0022772500000000, -0.0014265300000000 ] - [ 0.0008294200000000, 0.0006873800000000, -0.0010106900000000 ] - [ -0.0001598700000000, -0.0003055800000000, 0.0002492100000000 ] - [ 0.0000324300000000, 0.0000004900000000, -0.0001012900000000 ] - [ 0.0000253200000000, 0.0009384400000000, -0.0002694300000000 ] - [ -0.0003112500000000, -0.0000671800000000, 0.0001848300000000 ] - [ -0.0008403900000000, 0.0004262500000000, -0.0004875500000000 ] - [ -0.0001937300000000, 0.0003555300000000, 0.0002702200000000 ] - [ -0.0001276000000000, 0.0001669400000000, 0.0003524700000000 ] - [ 0.0003756300000000, -0.0019663200000000, -0.0012914000000000 ] - [ -0.0009979900000000, 0.0000271600000000, 0.0006865200000000 ] - [ -0.0001062500000000, -0.0001586600000000, 0.0002859700000000 ] - [ 0.0000644000000000, 0.0001860400000000, 0.0003973500000000 ] - [ 0.0002716900000000, 0.0006747800000000, -0.0013879800000000 ] - [ -0.0001198300000000, 0.0000143700000000, 0.0006886000000000 ] - [ -0.0003460000000000, -0.0000480600000000, 0.0006349900000000 ] - [ -0.0002285100000000, 0.0001005700000000, 0.0001589500000000 ] - [ 0.0004454900000000, 0.0002158100000000, -0.0001001600000000 ] - [ -0.0003217300000000, 0.0013497800000000, 0.0000343700000000 ] - [ -0.0003242600000000, 0.0001672100000000, 0.0004149800000000 ] - [ -0.0005953000000000, 0.0003136200000000, -0.0000580000000000 ] - [ 0.0009313700000000, -0.0003013700000000, -0.0006251100000000 ] - [ -0.0000822900000000, -0.0004630700000000, 0.0003542100000000 ] - [ -0.0300082700000000, 0.0381070900000000, 0.0068448400000000 ] - [ 0.0002399300000000, -0.0000821700000000, 0.0003346100000000 ] - [ -0.0000381600000000, -0.0002763900000000, 0.0002020600000000 ] - [ 0.0164848900000000, -0.0113016000000000, -0.0004573300000000 ] - [ 0.0001879100000000, -0.0005582700000000, -0.0002323900000000 ] - [ -0.0000135100000000, -0.0000581200000000, -0.0001268900000000 ] - [ 0.0000753300000000, -0.0000202300000000, 0.0000936900000000 ] - [ 0.0001211000000000, 0.0001897000000000, -0.0001205700000000 ] - [ -0.0000398000000000, 0.0000943800000000, 0.0007919600000000 ] - [ 0.0002583600000000, -0.0006508000000000, -0.0005262400000000 ] - [ 0.0003081100000000, 0.0007930100000000, -0.0004990800000000 ] - [ -0.0004237000000000, -0.0015130800000000, 0.0004029400000000 ] - [ -0.0004188000000000, -0.0001991600000000, -0.0003754500000000 ] - [ -0.0009030800000000, 0.0001285800000000, -0.0004735300000000 ] - [ 0.0005160100000000, -0.0004928300000000, -0.0004212100000000 ] - [ 0.0004196400000000, -0.0006785100000000, -0.0004720900000000 ] - [ -0.0000312600000000, 0.0000120100000000, 0.0002153500000000 ] - [ 0.0003135700000000, -0.0000976100000000, 0.0002202900000000 ] - [ -0.0002175400000000, 0.0002012300000000, 0.0001352600000000 ] - [ 0.0003068900000000, -0.0003635700000000, -0.0003068800000000 ] - [ 0.0109488800000000, 0.0090925300000000, 0.0078507000000000 ] - [ 0.0008519300000000, -0.0007552600000000, -0.0005049000000000 ] - [ -0.0000926600000000, 0.0002027700000000, 0.0003889700000000 ] - [ -0.0000314500000000, -0.0001088600000000, 0.0002536100000000 ] - [ -0.0002820700000000, -0.0002478500000000, 0.0003578600000000 ] - [ -0.0000129800000000, 0.0000666900000000, -0.0001794900000000 ] - [ -0.0000864200000000, -0.0002036000000000, 0.0003829100000000 ] - [ -0.0000992200000000, 0.0003930900000000, 0.0001739800000000 ] - [ -0.0000281700000000, -0.0001426400000000, 0.0001600100000000 ] - [ -0.0012080100000000, 0.0046876300000000, 0.0013809400000000 ] - [ -0.0007168700000000, -0.0000072600000000, -0.0003200900000000 ] - [ -0.0000182600000000, 0.0000739800000000, 0.0001142900000000 ] - [ 0.0001880100000000, -0.0001917800000000, -0.0000809000000000 ] - [ -0.0000091600000000, -0.0000376800000000, 0.0000006900000000 ] - [ 0.0002717900000000, -0.0000311900000000, 0.0001978400000000 ] - [ 0.0001724100000000, -0.0002126200000000, 0.0001932800000000 ] - [ -0.0002731600000000, -0.0016929900000000, 0.0002589300000000 ] - [ -0.0002043700000000, -0.0002285400000000, -0.0004731900000000 ] - [ 0.0000309400000000, -0.0000392400000000, 0.0001047500000000 ] - [ -0.0027355300000000, -0.0016033400000000, -0.0020606400000000 ] - [ 0.0002416600000000, 0.0003582400000000, 0.0009295500000000 ] - [ -0.0001209700000000, 0.0015751500000000, -0.0000552200000000 ] - [ 0.0000488200000000, -0.0000031500000000, 0.0000628600000000 ] - [ -0.0026688400000000, -0.0002239600000000, -0.0007261400000000 ] - [ -0.0000231800000000, 0.0001610000000000, 0.0002886900000000 ]- atom: 108 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000242200000000, 0.0001815200000000, -0.0001217200000000 ] - [ 0.0000129800000000, -0.0000224900000000, -0.0003606900000000 ] - [ 0.0000077500000000, -0.0000134200000000, -0.0004053900000000 ] - [ -0.0000042700000000, -0.0001466300000000, -0.0002167600000000 ] - [ -0.0006011000000000, 0.0010411400000000, 0.0070445400000000 ] - [ 0.0017293200000000, -0.0004314200000000, 0.0032335100000000 ] - [ 0.0000493000000000, -0.0004522100000000, 0.0007587800000000 ] - [ -0.0002533200000000, 0.0013268600000000, 0.0000541600000000 ] - [ 0.0000645200000000, -0.0001117500000000, -0.0002243800000000 ] - [ -0.0001148800000000, 0.0004049300000000, 0.0012245300000000 ] - [ -0.0000087900000000, 0.0001471800000000, -0.0002224300000000 ] - [ -0.0001165700000000, -0.0002564000000000, 0.0001043800000000 ] - [ -0.0002756800000000, -0.0003507700000000, 0.0000117100000000 ] - [ 0.0003156000000000, -0.0002017200000000, -0.0003961900000000 ] - [ 0.0002803300000000, -0.0000272500000000, 0.0001043800000000 ] - [ 0.0000208700000000, 0.0000365100000000, -0.0003611600000000 ] - [ -0.0000420500000000, 0.0000001800000000, -0.0003611600000000 ] - [ 0.0001435400000000, 0.0000667800000000, -0.0002148800000000 ] - [ 0.0002799800000000, 0.0003009800000000, -0.0003079400000000 ] - [ -0.0003888600000000, 0.0003140300000000, 0.0000431800000000 ] - [ -0.0004910400000000, -0.0017133500000000, 0.0032335100000000 ] - [ 0.0001900500000000, 0.0003806500000000, -0.0003824300000000 ] - [ 0.0000487100000000, -0.0002299700000000, -0.0001568300000000 ] - [ -0.0000351400000000, 0.0000272700000000, -0.0003561300000000 ] - [ 0.0001147800000000, -0.0000018000000000, 0.0000447700000000 ] - [ -0.0002119400000000, -0.0004480100000000, 0.0000039600000000 ] - [ 0.0015279200000000, -0.0026464400000000, -0.0007734100000000 ] - [ -0.0002274200000000, 0.0001511000000000, 0.0000893400000000 ] - [ 0.0001473800000000, 0.0001357800000000, -0.0001320600000000 ] - [ 0.0001419600000000, 0.0003237500000000, -0.0000828000000000 ] - [ 0.0004879500000000, 0.0000428400000000, 0.0008254400000000 ] - [ -0.0010224300000000, 0.0008828100000000, 0.0000541600000000 ] - [ -0.0000171500000000, 0.0002725100000000, 0.0000893400000000 ] - [ 0.0000169000000000, -0.0003741800000000, -0.0003961900000000 ] - [ 0.0009212300000000, -0.0004899200000000, -0.0001221900000000 ] - [ -0.0001296000000000, -0.0000909200000000, -0.0002148800000000 ] - [ 0.0000481000000000, -0.0000833100000000, 0.0008594100000000 ] - [ 0.0000845100000000, 0.0003718000000000, 0.0001161800000000 ] - [ -0.0002810800000000, -0.0004011500000000, 0.0008254400000000 ] - [ -0.0001547700000000, -0.0002260100000000, -0.0002326700000000 ] - [ 0.0004939500000000, -0.0000404600000000, 0.0000039600000000 ] - [ 0.0001291200000000, -0.0000696200000000, -0.0002167600000000 ] - [ 0.0019325400000000, 0.0023588700000000, -0.0014773300000000 ] - [ -0.0002932400000000, 0.0003019500000000, 0.0012245300000000 ] - [ 0.0003057500000000, -0.0002943300000000, -0.0003389100000000 ] - [ 0.0001748100000000, -0.0001571700000000, -0.0001568300000000 ] - [ -0.0000775300000000, 0.0004937800000000, 0.0000431800000000 ] - [ -0.0004246800000000, 0.0000257400000000, -0.0003824300000000 ] - [ -0.0004006500000000, -0.0000919800000000, -0.0003079400000000 ] - [ -0.0030091100000000, -0.0004942000000000, -0.0014773300000000 ] - [ -0.0003513600000000, 0.0000389300000000, -0.0000828000000000 ] - [ -0.0001693200000000, 0.0000697800000000, -0.0001217200000000 ] - [ -0.0001230700000000, 0.0000812000000000, -0.0002224300000000 ] - [ -0.0003642500000000, 0.0001127200000000, 0.0001161800000000 ] - [ -0.0000060400000000, 0.0000440600000000, -0.0003561300000000 ] - [ 0.0001020200000000, -0.0004119500000000, -0.0003389100000000 ] - [ 0.0003669700000000, -0.0002688000000000, 0.0007587800000000 ] - [ -0.0001912700000000, -0.0000597400000000, -0.0001320600000000 ] - [ -0.0000558300000000, -0.0001003000000000, 0.0000447700000000 ] - [ -0.0000812600000000, 0.0001407500000000, -0.0000024500000000 ] - [ 0.0004416100000000, 0.0000633600000000, 0.0000117100000000 ] - [ -0.0000363300000000, -0.0010427700000000, -0.0001221900000000 ] - [ 0.0002731200000000, 0.0000210300000000, -0.0002326700000000 ] - [ 0.0000003500000000, -0.0000006100000000, -0.0007190500000000 ] - [ -0.0001159700000000, 0.0002008600000000, -0.0010222600000000 ] - [ 0.0001636400000000, -0.0003235400000000, 0.0016949200000000 ] - [ 0.0000393600000000, 0.0000516400000000, -0.0007002900000000 ] - [ -0.0008246000000000, -0.0010447600000000, -0.0002440800000000 ] - [ -0.0000644000000000, -0.0000082700000000, -0.0007002900000000 ] - [ -0.0001582900000000, 0.0002741600000000, -0.0038312200000000 ] - [ -0.0434285600000000, 0.0752204700000000, 0.1177473400000000 ] - [ -0.0042383000000000, -0.0004862300000000, -0.0014905300000000 ] - [ 0.0025402400000000, 0.0034273600000000, -0.0014905300000000 ] - [ 0.0013170900000000, 0.0001917400000000, -0.0002440800000000 ] - [ 0.0001983800000000, -0.0003034900000000, 0.0016949200000000 ] - [ 0.0003413700000000, -0.0005912600000000, 0.0002560900000000 ] - [ 0.0000901000000000, 0.0000502900000000, -0.0008540900000000 ] - [ -0.0000886100000000, -0.0000528900000000, -0.0008540900000000 ] - [ -0.0012424600000000, 0.0021520000000000, -0.0007416500000000 ] - [ 0.0002580600000000, 0.0000179900000000, -0.0009507700000000 ] - [ 0.0000451800000000, -0.0002762700000000, -0.0010735000000000 ] - [ 0.0002166700000000, -0.0001772600000000, -0.0010735000000000 ] - [ -0.0001788800000000, 0.0003098300000000, -0.0027458100000000 ] - [ -0.0001446100000000, -0.0002144900000000, -0.0009507700000000 ] - [ -0.0000055300000000, -0.0000003600000000, 0.0001630200000000 ] - [ 0.0000030800000000, 0.0000046100000000, 0.0001630200000000 ] - [ 0.0000054400000000, -0.0000094200000000, 0.0006295000000000 ] - [ 0.0001067900000000, -0.0001849700000000, 0.0015750100000000 ] - [ 0.0001999000000000, -0.0000975900000000, 0.0006966100000000 ] - [ 0.0003530800000000, -0.0000110800000000, 0.0005756500000000 ] - [ -0.0000009100000000, 0.0000541400000000, 0.0010972700000000 ] - [ 0.0001549900000000, 0.0004918600000000, -0.0009308300000000 ] - [ 0.0004746200000000, 0.0007483700000000, -0.0004092600000000 ] - [ -0.0008854200000000, -0.0000368400000000, -0.0004092600000000 ] - [ -0.0008926200000000, -0.0000433500000000, -0.0003061500000000 ] - [ 0.0000337600000000, -0.0000584700000000, 0.0011923800000000 ] - [ -0.0003978100000000, -0.0005876500000000, 0.0010362200000000 ] - [ -0.0003685400000000, 0.0002811500000000, 0.0006129600000000 ] - [ 0.0014781900000000, -0.0000606800000000, 0.0016067100000000 ] - [ -0.0008202800000000, -0.0000374200000000, -0.0003306600000000 ] - [ 0.0001616500000000, -0.0000667800000000, -0.0009772300000000 ] - [ -0.0000316600000000, -0.0000763700000000, 0.0006629000000000 ] - [ -0.0004165200000000, 0.0000526300000000, -0.0009377000000000 ] - [ 0.0004425500000000, 0.0006916700000000, -0.0003306600000000 ] - [ -0.0000545600000000, -0.0000281900000000, 0.0012939100000000 ] - [ -0.0031462300000000, -0.0012541200000000, 0.0014919700000000 ] - [ 0.0004831400000000, 0.0001742300000000, 0.0006409300000000 ] - [ 0.0597340600000000, -0.1034624300000000, -0.1238626200000000 ] - [ 0.0001061700000000, 0.0001312800000000, -0.0000095000000000 ] - [ 0.0009080400000000, -0.0013013300000000, 0.0003152600000000 ] - [ -0.0000293300000000, 0.0000507900000000, 0.0000132300000000 ] - [ 0.0000877800000000, -0.0001520400000000, 0.0001860400000000 ] - [ -0.0000477800000000, 0.0000827600000000, 0.0005985800000000 ] - [ -0.0000710800000000, 0.0001313800000000, -0.0010350100000000 ] - [ -0.0000592100000000, 0.0004597400000000, 0.0006129600000000 ] - [ 0.0000395000000000, 0.0000015600000000, 0.0008733800000000 ] - [ -0.0001973800000000, -0.0000011600000000, 0.0001568100000000 ] - [ 0.0000516900000000, 0.0000331600000000, 0.0012939100000000 ] - [ -0.0015319100000000, -0.0006336600000000, -0.0004618100000000 ] - [ -0.0000229900000000, -0.0001733800000000, -0.0009772300000000 ] - [ -0.0004381100000000, 0.0000565500000000, -0.0005127400000000 ] - [ 0.0001700800000000, 0.0004076900000000, -0.0005127400000000 ] - [ 0.0006729600000000, -0.0014370400000000, 0.0003152600000000 ] - [ -0.0001669500000000, -0.0003113200000000, 0.0005756500000000 ] - [ 0.0000370400000000, -0.0000058400000000, 0.0004698300000000 ] - [ 0.0006367100000000, -0.0011028100000000, -0.0006015600000000 ] - [ -0.0000074400000000, 0.0000630900000000, 0.0003969400000000 ] - [ -0.0005034600000000, 0.0001117000000000, -0.0009308300000000 ] - [ -0.0002093500000000, 0.0003626100000000, 0.0005418700000000 ] - [ -0.0000047000000000, 0.0002265200000000, 0.0006751700000000 ] - [ 0.0012575000000000, -0.0003213300000000, -0.0002100200000000 ] - [ -0.0007448500000000, -0.0001091300000000, -0.0003257000000000 ] - [ -0.0000154300000000, -0.0002219100000000, 0.0006966100000000 ] - [ -0.0003948000000000, 0.0006838100000000, 0.0014774400000000 ] - [ 0.0001405500000000, -0.0002434400000000, 0.0003389400000000 ] - [ -0.0000464300000000, 0.0000278600000000, 0.0010972700000000 ] - [ -0.0001667700000000, -0.0000263100000000, -0.0000095000000000 ] - [ -0.0000821400000000, 0.0000784100000000, 0.0003206300000000 ] - [ 0.0004838500000000, 0.0007513500000000, -0.0003061500000000 ] - [ -0.0001555100000000, 0.0002693600000000, -0.0002968000000000 ] - [ -0.0002197200000000, 0.0001230800000000, 0.0004475100000000 ] - [ -0.0000782400000000, 0.0001272400000000, -0.0010350100000000 ] - [ 0.0005930600000000, -0.0010272200000000, 0.0031792500000000 ] - [ -0.0006865500000000, -0.0013104900000000, 0.0016067100000000 ] - [ 0.0064271400000000, -0.0041579900000000, -0.0168143200000000 ] - [ 0.0002067500000000, 0.0000941400000000, 0.0006701400000000 ] - [ -0.0000778100000000, -0.0004592900000000, 0.0005487500000000 ] - [ 0.0003873600000000, -0.0076450600000000, -0.0168143200000000 ] - [ 0.0013147200000000, 0.0010098500000000, -0.0004618100000000 ] - [ -0.0000134600000000, -0.0000350000000000, 0.0004698300000000 ] - [ 0.0000819700000000, -0.0000107600000000, 0.0006629000000000 ] - [ 0.0000996900000000, 0.0001703600000000, 0.0001568100000000 ] - [ -0.0000211000000000, -0.0000334200000000, 0.0008733800000000 ] - [ 0.0004857900000000, -0.0007155100000000, -0.0003299700000000 ] - [ 0.0004213900000000, 0.0007662600000000, -0.0003335300000000 ] - [ -0.0003504700000000, -0.0012497000000000, -0.0002100200000000 ] - [ 0.0001626800000000, 0.0003870300000000, -0.0009377000000000 ] - [ -0.0008743000000000, 0.0000182000000000, -0.0003335300000000 ] - [ 0.0004669300000000, 0.0005905000000000, -0.0003257000000000 ] - [ 0.0003767500000000, -0.0007784600000000, -0.0003299700000000 ] - [ 0.0000032700000000, 0.0002518200000000, 0.0004475100000000 ] - [ 0.0004366600000000, -0.0001622600000000, 0.0005487500000000 ] - [ -0.0000268300000000, 0.0001103400000000, 0.0003206300000000 ] - [ 0.0007078300000000, 0.0000506900000000, 0.0010362200000000 ] - [ -0.0217683100000000, 0.0377038200000000, 0.0241163800000000 ] - [ 0.0026592100000000, 0.0020976500000000, 0.0014919700000000 ] - [ -0.0001938200000000, 0.0001173300000000, 0.0006751700000000 ] - [ -0.0000509100000000, 0.0000379900000000, 0.0003969400000000 ] - [ -0.0003924500000000, -0.0003313000000000, 0.0006409300000000 ] - [ -0.0000253400000000, 0.0000438900000000, 0.0005162000000000 ] - [ -0.0001849100000000, -0.0001319800000000, 0.0006701400000000 ] - [ -0.0001920300000000, 0.0003326000000000, 0.0001567600000000 ] - [ -0.0000810600000000, -0.0001936600000000, 0.0004169800000000 ] - [ -0.0014957500000000, 0.0025907100000000, -0.0009724400000000 ] - [ -0.0000993000000000, -0.0001367200000000, 0.0001615600000000 ] - [ -0.0000568500000000, 0.0000984600000000, 0.0003995300000000 ] - [ 0.0001665900000000, 0.0000304400000000, -0.0004937100000000 ] - [ 0.0001168100000000, 0.0000075300000000, 0.0003906100000000 ] - [ 0.0001680600000000, 0.0000176400000000, 0.0001615600000000 ] - [ -0.0002331100000000, -0.0002963700000000, 0.0001023800000000 ] - [ -0.0004505400000000, -0.0006710200000000, -0.0015114500000000 ] - [ 0.0003732200000000, 0.0000536900000000, 0.0001023800000000 ] - [ -0.0000649300000000, -0.0000973900000000, 0.0003906100000000 ] - [ 0.0008063900000000, 0.0000546700000000, -0.0015114500000000 ] - [ -0.0003982100000000, 0.0006897300000000, 0.0009385700000000 ] - [ -0.0003427700000000, 0.0005937000000000, -0.0011189400000000 ] - [ 0.0002082400000000, -0.0000266300000000, 0.0004169800000000 ] - [ -0.0001096600000000, -0.0001290500000000, -0.0004937100000000 ] - [ -0.0001330300000000, 0.0002304100000000, 0.0005843200000000 ]- atom: 108 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000246000000000, 0.0002377700000000, 0.0005519400000000 ] - [ -0.0001395300000000, 0.0002416800000000, 0.0006968000000000 ] - [ -0.0000667200000000, 0.0001155700000000, 0.0006882300000000 ] - [ 0.0000334900000000, -0.0001376700000000, 0.0004600000000000 ] - [ 0.0002350700000000, -0.0004071600000000, -0.0069302300000000 ] - [ -0.0019184900000000, 0.0000453500000000, -0.0032066600000000 ] - [ 0.0004037500000000, 0.0004250500000000, -0.0007727500000000 ] - [ -0.0000133100000000, -0.0017559400000000, -0.0004730700000000 ] - [ -0.0001995500000000, 0.0003456300000000, 0.0003482600000000 ] - [ -0.0001038400000000, 0.0000042500000000, -0.0012345600000000 ] - [ 0.0000364700000000, 0.0001444800000000, 0.0004629700000000 ] - [ -0.0000114100000000, -0.0001720300000000, -0.0003567500000000 ] - [ 0.0000889200000000, -0.0000691000000000, -0.0005977500000000 ] - [ -0.0002833000000000, 0.0000402700000000, 0.0008996500000000 ] - [ 0.0001546800000000, -0.0000761300000000, -0.0003567500000000 ] - [ -0.0001504900000000, -0.0002447800000000, 0.0006990400000000 ] - [ 0.0002872300000000, 0.0000079400000000, 0.0006990400000000 ] - [ 0.0000939700000000, 0.0000879500000000, 0.0004578000000000 ] - [ -0.0003138600000000, -0.0000046200000000, 0.0004077000000000 ] - [ 0.0002056100000000, 0.0001182300000000, -0.0006289700000000 ] - [ 0.0009199700000000, 0.0016841300000000, -0.0032066600000000 ] - [ 0.0000870900000000, -0.0002574300000000, 0.0004792400000000 ] - [ 0.0000013400000000, -0.0001967000000000, 0.0005851600000000 ] - [ 0.0001593600000000, -0.0000232300000000, 0.0006356400000000 ] - [ 0.0001658200000000, 0.0000057400000000, 0.0005340800000000 ] - [ -0.0000510300000000, 0.0000657100000000, -0.0005921300000000 ] - [ -0.0016439400000000, 0.0028474000000000, 0.0004324500000000 ] - [ 0.0000794400000000, -0.0002065100000000, 0.0004208100000000 ] - [ 0.0001955200000000, 0.0001230200000000, 0.0005619100000000 ] - [ -0.0001186700000000, -0.0001603000000000, 0.0005882800000000 ] - [ 0.0002665600000000, -0.0000479100000000, -0.0007834000000000 ] - [ 0.0015273500000000, -0.0008664400000000, -0.0004730700000000 ] - [ 0.0001391300000000, -0.0001720500000000, 0.0004208100000000 ] - [ 0.0001067700000000, 0.0002654900000000, 0.0008996500000000 ] - [ -0.0004744400000000, 0.0005858200000000, -0.0001343800000000 ] - [ -0.0001231500000000, -0.0000374000000000, 0.0004578000000000 ] - [ -0.0004179900000000, 0.0007239900000000, -0.0008154600000000 ] - [ -0.0002042600000000, 0.0000547900000000, -0.0003723000000000 ] - [ -0.0000917900000000, -0.0002548100000000, -0.0007834000000000 ] - [ 0.0000153500000000, -0.0000032600000000, 0.0003600900000000 ] - [ -0.0000313900000000, 0.0000770500000000, -0.0005921300000000 ] - [ 0.0001024800000000, -0.0000978400000000, 0.0004600000000000 ] - [ -0.0020538700000000, -0.0025554300000000, 0.0011434400000000 ] - [ 0.0000482400000000, 0.0000920600000000, -0.0012345600000000 ] - [ -0.0003409300000000, -0.0000062000000000, 0.0004335100000000 ] - [ 0.0001696700000000, -0.0000995100000000, 0.0005851600000000 ] - [ -0.0002051900000000, -0.0001189500000000, -0.0006289700000000 ] - [ 0.0001794000000000, -0.0002041400000000, 0.0004792400000000 ] - [ 0.0001609300000000, 0.0002695100000000, 0.0004077000000000 ] - [ 0.0032400000000000, 0.0005009900000000, 0.0011434400000000 ] - [ 0.0001981600000000, 0.0000226200000000, 0.0005882800000000 ] - [ -0.0002182200000000, 0.0000975800000000, 0.0005519400000000 ] - [ -0.0001433600000000, 0.0000406600000000, 0.0004629700000000 ] - [ 0.0000546800000000, 0.0002042900000000, -0.0003723000000000 ] - [ -0.0000595600000000, -0.0001496200000000, 0.0006356400000000 ] - [ 0.0001758400000000, 0.0002921500000000, 0.0004335100000000 ] - [ -0.0005699800000000, -0.0001371300000000, -0.0007727500000000 ] - [ -0.0002043000000000, -0.0001078200000000, 0.0005619100000000 ] - [ -0.0000878800000000, -0.0001407400000000, 0.0005340800000000 ] - [ -0.0000585100000000, 0.0001013400000000, 0.0005827200000000 ] - [ 0.0000153800000000, -0.0001115600000000, -0.0005977500000000 ] - [ -0.0002701100000000, 0.0007037900000000, -0.0001343800000000 ] - [ -0.0000048600000000, -0.0000149200000000, 0.0003600900000000 ] - [ 0.0000509500000000, -0.0000882500000000, 0.0013080600000000 ] - [ 0.0000500700000000, -0.0000867200000000, 0.0012554800000000 ] - [ -0.0001557900000000, 0.0003192100000000, -0.0015254200000000 ] - [ -0.0000392900000000, -0.0000520600000000, -0.0002913900000000 ] - [ 0.0011037100000000, 0.0015310200000000, 0.0001356200000000 ] - [ 0.0000647200000000, 0.0000080000000000, -0.0002913900000000 ] - [ 0.0001563100000000, -0.0002707300000000, 0.0047000200000000 ] - [ 0.0441410900000000, -0.0764546200000000, -0.1179250800000000 ] - [ 0.0044320100000000, 0.0008920100000000, 0.0010143200000000 ] - [ -0.0029885000000000, -0.0033922300000000, 0.0010143200000000 ] - [ -0.0018777600000000, -0.0001903300000000, 0.0001356200000000 ] - [ -0.0001985500000000, 0.0002945200000000, -0.0015254200000000 ] - [ -0.0000985700000000, 0.0001707300000000, -0.0007150200000000 ] - [ -0.0001955900000000, -0.0000502000000000, 0.0014434500000000 ] - [ 0.0001412700000000, 0.0001442900000000, 0.0014434500000000 ] - [ 0.0015270100000000, -0.0026448600000000, 0.0006413800000000 ] - [ -0.0001245800000000, -0.0000186000000000, 0.0011846400000000 ] - [ -0.0000368500000000, 0.0002769800000000, 0.0004769900000000 ] - [ -0.0002214500000000, 0.0001704000000000, 0.0004769900000000 ] - [ 0.0001798800000000, -0.0003115600000000, 0.0034568500000000 ] - [ 0.0000784000000000, 0.0000985900000000, 0.0011846400000000 ] - [ 0.0000066600000000, -0.0000012400000000, -0.0004004800000000 ] - [ -0.0000022500000000, -0.0000063900000000, -0.0004004800000000 ] - [ -0.0000065200000000, 0.0000113000000000, -0.0003014800000000 ] - [ 0.0000132700000000, -0.0000229900000000, -0.0013257200000000 ] - [ 0.0002203500000000, 0.0002762100000000, -0.0001538700000000 ] - [ 0.0002779600000000, 0.0000087500000000, -0.0001440500000000 ] - [ 0.0000011400000000, -0.0000541000000000, -0.0000241600000000 ] - [ 0.0000401300000000, -0.0002151200000000, 0.0002812000000000 ] - [ -0.0003246600000000, -0.0004812300000000, 0.0003216200000000 ] - [ 0.0005790800000000, 0.0000405500000000, 0.0003216200000000 ] - [ 0.0011567000000000, 0.0001861900000000, -0.0001803300000000 ] - [ -0.0000332400000000, 0.0000575700000000, -0.0020251400000000 ] - [ 0.0004803500000000, 0.0005787500000000, -0.0005755700000000 ] - [ -0.0001302900000000, 0.0001012700000000, -0.0002310100000000 ] - [ -0.0003557500000000, 0.0000626000000000, -0.0007876400000000 ] - [ -0.0008439200000000, -0.0000129900000000, -0.0006424700000000 ] - [ 0.0000366700000000, -0.0002017900000000, 0.0003271800000000 ] - [ -0.0000549100000000, -0.0000810500000000, -0.0008652100000000 ] - [ 0.0000757300000000, -0.0000173100000000, 0.0002860700000000 ] - [ 0.0004332100000000, 0.0007243600000000, -0.0006424700000000 ] - [ -0.0001863900000000, 0.0000295000000000, -0.0010419600000000 ] - [ 0.0033929900000000, 0.0016973200000000, -0.0017284000000000 ] - [ 0.0000919000000000, 0.0000699400000000, -0.0002582400000000 ] - [ -0.0607068500000000, 0.1051473500000000, 0.1233822100000000 ] - [ -0.0002443500000000, -0.0003640300000000, -0.0003645200000000 ] - [ -0.0009229200000000, 0.0016078200000000, -0.0008141100000000 ] - [ -0.0000133800000000, 0.0000231700000000, 0.0004334000000000 ] - [ 0.0001398600000000, -0.0002422500000000, -0.0005272000000000 ] - [ -0.0000396100000000, 0.0000686000000000, -0.0008007100000000 ] - [ 0.0000694400000000, -0.0001275700000000, 0.0010011400000000 ] - [ -0.0000225600000000, 0.0001634700000000, -0.0002310100000000 ] - [ -0.0000390400000000, -0.0000037600000000, 0.0007658900000000 ] - [ -0.0002592100000000, 0.0000031500000000, -0.0004986000000000 ] - [ 0.0000676400000000, 0.0001761700000000, -0.0010419600000000 ] - [ 0.0013077000000000, 0.0006224400000000, 0.0001202800000000 ] - [ 0.0001564200000000, -0.0001326500000000, 0.0003271800000000 ] - [ -0.0000947500000000, -0.0000402600000000, 0.0002515300000000 ] - [ 0.0000822400000000, 0.0000619300000000, 0.0002515300000000 ] - [ -0.0009309600000000, 0.0016031800000000, -0.0008141100000000 ] - [ -0.0001465500000000, -0.0002363400000000, -0.0001440500000000 ] - [ 0.0000890900000000, 0.0000088000000000, -0.0009708500000000 ] - [ -0.0004874500000000, 0.0008442900000000, 0.0005128700000000 ] - [ -0.0000719300000000, -0.0002092400000000, -0.0000795200000000 ] - [ 0.0001662300000000, -0.0001423100000000, 0.0002812000000000 ] - [ -0.0001056700000000, 0.0001830300000000, -0.0001116200000000 ] - [ -0.0003692500000000, 0.0000508700000000, -0.0001305000000000 ] - [ -0.0009881100000000, -0.0001548600000000, -0.0000464300000000 ] - [ 0.0010106100000000, -0.0000306300000000, -0.0001636600000000 ] - [ -0.0003493800000000, -0.0000527200000000, -0.0001538700000000 ] - [ -0.0001631000000000, 0.0002825000000000, -0.0006603800000000 ] - [ -0.0002781500000000, 0.0004817700000000, -0.0007164000000000 ] - [ 0.0000462900000000, -0.0000280400000000, -0.0000241600000000 ] - [ 0.0004374300000000, 0.0000296000000000, -0.0003645200000000 ] - [ -0.0000024500000000, 0.0000739700000000, -0.0000061100000000 ] - [ -0.0007396000000000, -0.0009086300000000, -0.0001803300000000 ] - [ 0.0002577300000000, -0.0004464000000000, -0.0000424900000000 ] - [ 0.0003938300000000, -0.0001178000000000, -0.0001321300000000 ] - [ 0.0000757600000000, -0.0001239200000000, 0.0010011400000000 ] - [ -0.0005856800000000, 0.0010144300000000, -0.0040319100000000 ] - [ 0.0001236600000000, 0.0003393900000000, -0.0007876400000000 ] - [ -0.0063055200000000, 0.0043339600000000, 0.0168703300000000 ] - [ 0.0002131300000000, -0.0002754400000000, -0.0001265900000000 ] - [ -0.0000046500000000, -0.0001702000000000, -0.0001676700000000 ] - [ -0.0006005600000000, 0.0076277200000000, 0.0168703300000000 ] - [ -0.0011929000000000, -0.0008212800000000, 0.0001202800000000 ] - [ -0.0000521600000000, -0.0000727600000000, -0.0009708500000000 ] - [ 0.0000976500000000, 0.0000070300000000, -0.0008652100000000 ] - [ 0.0001268800000000, 0.0002260600000000, -0.0004986000000000 ] - [ 0.0000227700000000, 0.0000319300000000, 0.0007658900000000 ] - [ 0.0003875700000000, -0.0007037000000000, -0.0006428300000000 ] - [ 0.0003709400000000, 0.0006961900000000, -0.0006399000000000 ] - [ 0.0006281700000000, 0.0007783000000000, -0.0000464300000000 ] - [ -0.0000228700000000, -0.0000742400000000, 0.0002860700000000 ] - [ -0.0007883900000000, 0.0000268500000000, -0.0006399000000000 ] - [ -0.0004787800000000, -0.0008905300000000, -0.0001636600000000 ] - [ 0.0004156400000000, -0.0006874900000000, -0.0006428300000000 ] - [ -0.0000949000000000, -0.0003999600000000, -0.0001321300000000 ] - [ 0.0001497200000000, -0.0000810700000000, -0.0001676700000000 ] - [ -0.0000628300000000, 0.0000391000000000, -0.0000061100000000 ] - [ -0.0007413900000000, -0.0001266100000000, -0.0005755700000000 ] - [ 0.0222446300000000, -0.0385288300000000, -0.0250157800000000 ] - [ -0.0031664100000000, -0.0020897500000000, -0.0017284000000000 ] - [ 0.0001405700000000, 0.0003452200000000, -0.0001305000000000 ] - [ 0.0002171700000000, -0.0000423300000000, -0.0000795200000000 ] - [ -0.0001065200000000, -0.0000446200000000, -0.0002582400000000 ] - [ -0.0000404400000000, 0.0000700500000000, -0.0010167900000000 ] - [ 0.0001319700000000, -0.0003223000000000, -0.0001265900000000 ] - [ 0.0002405500000000, -0.0004166400000000, -0.0002017200000000 ] - [ -0.0000375700000000, -0.0000099400000000, -0.0002186400000000 ] - [ 0.0014864500000000, -0.0025746100000000, 0.0011277200000000 ] - [ -0.0003649700000000, 0.0001378200000000, 0.0001688700000000 ] - [ 0.0000855200000000, -0.0001481300000000, -0.0003686600000000 ] - [ -0.0001481200000000, -0.0000163700000000, 0.0006437700000000 ] - [ -0.0001721900000000, -0.0000079800000000, -0.0003600300000000 ] - [ 0.0000631300000000, 0.0003849800000000, 0.0001688700000000 ] - [ 0.0002821600000000, 0.0003740500000000, -0.0001508400000000 ] - [ 0.0004590800000000, 0.0006873800000000, 0.0008060900000000 ] - [ -0.0004650200000000, -0.0000573300000000, -0.0001508400000000 ] - [ 0.0000930000000000, 0.0001451300000000, -0.0003600300000000 ] - [ -0.0008248300000000, -0.0000538800000000, 0.0008060900000000 ] - [ 0.0006230000000000, -0.0010790700000000, -0.0005974100000000 ] - [ 0.0003445100000000, -0.0005967200000000, 0.0004186600000000 ] - [ 0.0000273900000000, 0.0000275700000000, -0.0002186400000000 ] - [ 0.0000882400000000, 0.0001200900000000, 0.0006437700000000 ] - [ 0.0000131800000000, -0.0000228300000000, -0.0003847200000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000733000000000, 0.0002053700000000, 0.0002330600000000 ] - [ -0.0001641400000000, -0.0000181900000000, 0.0005475600000000 ] - [ -0.0000171200000000, 0.0000268200000000, 0.0001444100000000 ] - [ 0.0000067900000000, 0.0000847000000000, -0.0003454600000000 ] - [ -0.0001164000000000, 0.0001906400000000, -0.0002488200000000 ] - [ -0.0000637900000000, 0.0000065200000000, 0.0000731200000000 ] - [ 0.0003430200000000, 0.0000282600000000, -0.0023519100000000 ] - [ 0.0000103700000000, -0.0002483200000000, -0.0003027900000000 ] - [ -0.0001014700000000, 0.0001450400000000, 0.0000387700000000 ] - [ -0.0000860000000000, 0.0000146200000000, 0.0000634600000000 ] - [ -0.0000555200000000, 0.0003398700000000, 0.0001676100000000 ] - [ -0.0000526700000000, -0.0001823000000000, -0.0001298000000000 ] - [ -0.0013806400000000, 0.0008090900000000, 0.0004138400000000 ] - [ 0.0000206300000000, -0.0000611800000000, 0.0002519500000000 ] - [ 0.0002936400000000, -0.0000541000000000, -0.0000071500000000 ] - [ -0.0001364100000000, -0.0003035100000000, 0.0001932300000000 ] - [ 0.0003601200000000, 0.0000603200000000, 0.0001727100000000 ] - [ -0.0002759000000000, 0.0000797700000000, 0.0000275300000000 ] - [ 0.0001030200000000, -0.0001467900000000, -0.0000431700000000 ] - [ -0.0003075000000000, 0.0007141400000000, -0.0003437400000000 ] - [ 0.0000334600000000, -0.0001782100000000, 0.0001000300000000 ] - [ -0.0002061400000000, -0.0005956500000000, -0.0000510000000000 ] - [ -0.0000253900000000, -0.0002496500000000, 0.0001766400000000 ] - [ 0.0000308600000000, -0.0000187000000000, 0.0001467700000000 ] - [ -0.0001535100000000, 0.0006682200000000, 0.0001736800000000 ] - [ -0.0020594800000000, 0.0017325100000000, -0.0007519800000000 ] - [ -0.0018914000000000, -0.0018155600000000, -0.0004368900000000 ] - [ -0.0001136500000000, -0.0000489400000000, 0.0002313200000000 ] - [ 0.0002217300000000, 0.0001270600000000, 0.0001708400000000 ] - [ 0.0000397300000000, 0.0000752500000000, 0.0002564700000000 ] - [ 0.0001915900000000, 0.0001840100000000, 0.0001383600000000 ] - [ 0.0002140700000000, -0.0000693300000000, -0.0002743400000000 ] - [ 0.0001060800000000, 0.0000474200000000, 0.0002216500000000 ] - [ 0.0000453900000000, -0.0000710500000000, 0.0002531700000000 ] - [ 0.0001701700000000, 0.0001246800000000, -0.0001806500000000 ] - [ -0.0002628500000000, 0.0000611700000000, 0.0005836000000000 ] - [ -0.0006199900000000, 0.0005341600000000, -0.0001829400000000 ] - [ -0.0001755200000000, 0.0002519000000000, -0.0000827900000000 ] - [ -0.0001288000000000, -0.0006072400000000, 0.0011203400000000 ] - [ -0.0000333300000000, -0.0001091600000000, 0.0000704300000000 ] - [ -0.0008496900000000, 0.0000265000000000, -0.0001750700000000 ] - [ 0.0003540500000000, -0.0001550600000000, 0.0001260600000000 ] - [ -0.0002480200000000, -0.0005783800000000, -0.0001964100000000 ] - [ 0.0001806700000000, 0.0002945600000000, 0.0011068700000000 ] - [ -0.0009154000000000, -0.0003041300000000, 0.0002842400000000 ] - [ 0.0001414200000000, -0.0001021300000000, 0.0002278900000000 ] - [ -0.0015066700000000, -0.0008468100000000, 0.0005020000000000 ] - [ -0.0000508100000000, 0.0001826700000000, -0.0000262600000000 ] - [ 0.0027702100000000, -0.0005797900000000, -0.0001537700000000 ] - [ 0.0009883100000000, 0.0008670200000000, -0.0004596300000000 ] - [ -0.0000730700000000, 0.0000123500000000, 0.0002489400000000 ] - [ -0.0002430800000000, 0.0001186400000000, 0.0001766800000000 ] - [ -0.0001481600000000, -0.0001622000000000, -0.0003615300000000 ] - [ -0.0000112700000000, 0.0001843300000000, -0.0001886600000000 ] - [ 0.0000125500000000, -0.0000523700000000, 0.0001477400000000 ] - [ 0.0046749200000000, 0.0000304100000000, 0.0003333900000000 ] - [ -0.0005114400000000, -0.0004064700000000, -0.0001767600000000 ] - [ -0.0001891400000000, -0.0000563700000000, 0.0002251400000000 ] - [ 0.0035534700000000, 0.0019834200000000, 0.0008860300000000 ] - [ -0.0009936400000000, 0.0002667100000000, 0.0005273700000000 ] - [ 0.0011842700000000, -0.0008721100000000, -0.0005174400000000 ] - [ -0.0002677400000000, -0.0002082600000000, -0.0000786900000000 ] - [ 0.0001184200000000, 0.0000232400000000, 0.0000635800000000 ] - [ -0.0000391900000000, -0.0000451600000000, 0.0004962700000000 ] - [ -0.0005047200000000, 0.0001095800000000, 0.0001113100000000 ] - [ 0.0014626800000000, 0.0016494500000000, -0.0002804300000000 ] - [ -0.0044156100000000, 0.0001352500000000, -0.0010125300000000 ] - [ 0.0886832100000000, 0.0002721600000000, 0.0036774000000000 ] - [ 0.0014170600000000, 0.0034350300000000, -0.0001681500000000 ] - [ 0.0000232300000000, -0.0000403100000000, 0.0003915100000000 ] - [ 0.0000788900000000, -0.0007761400000000, -0.0008642500000000 ] - [ 0.0001307100000000, 0.0000132200000000, -0.0001034700000000 ] - [ -0.0002292600000000, 0.0001912500000000, -0.0001056500000000 ] - [ -0.0011499300000000, -0.0006326400000000, -0.0000347200000000 ] - [ -0.0012613900000000, 0.0000170600000000, 0.0007782800000000 ] - [ -0.0002261000000000, -0.0001966200000000, -0.0005490800000000 ] - [ -0.0000259200000000, 0.0000508000000000, 0.0001812200000000 ] - [ 0.0000554100000000, -0.0000015500000000, 0.0001761400000000 ] - [ -0.0008131500000000, 0.0003985900000000, 0.0000010800000000 ] - [ -0.0003642200000000, -0.0000518600000000, 0.0000977600000000 ] - [ -0.0000524700000000, -0.0000051000000000, -0.0003231600000000 ] - [ 0.0000200100000000, 0.0000506700000000, -0.0002991300000000 ] - [ 0.0018226000000000, -0.0035372600000000, 0.0014097900000000 ] - [ 0.0029465000000000, -0.0000209500000000, 0.0001062300000000 ] - [ 0.0000656000000000, -0.0000035000000000, 0.0000637700000000 ] - [ -0.0000321100000000, -0.0000587100000000, -0.0002091600000000 ] - [ -0.0000160000000000, 0.0000355700000000, 0.0000981200000000 ] - [ 0.0001339800000000, 0.0027232900000000, -0.0008732000000000 ] - [ 0.0003164400000000, 0.0001010900000000, 0.0002230700000000 ] - [ 0.0003213500000000, -0.0000249000000000, 0.0002388700000000 ] - [ 0.0000142100000000, -0.0000005900000000, 0.0005807000000000 ] - [ -0.0001985700000000, -0.0012122900000000, 0.0004072900000000 ] - [ -0.0116809200000000, 0.0081172800000000, -0.0210202300000000 ] - [ 0.0004069500000000, -0.0000560400000000, 0.0000146200000000 ] - [ 0.0007601600000000, 0.0005955200000000, -0.0003156500000000 ] - [ -0.0003310400000000, 0.0005571700000000, -0.0009861600000000 ] - [ 0.0000397500000000, -0.0000382500000000, 0.0001562500000000 ] - [ -0.0002741500000000, 0.0001883100000000, 0.0002140500000000 ] - [ 0.0005558700000000, 0.0000206900000000, 0.0004125000000000 ] - [ -0.0019318300000000, -0.0005362700000000, -0.0007228200000000 ] - [ 0.0006570400000000, -0.0003159100000000, -0.0007619700000000 ] - [ -0.0000637600000000, -0.0000363700000000, 0.0000038700000000 ] - [ -0.0010234300000000, -0.0000093000000000, -0.0005785000000000 ] - [ 0.0023523300000000, 0.0005816000000000, 0.0000583500000000 ] - [ -0.0011646300000000, 0.0006175400000000, 0.0001691300000000 ] - [ 0.0001057100000000, 0.0001338100000000, -0.0001407200000000 ] - [ 0.0002920000000000, 0.0001426900000000, 0.0002163100000000 ] - [ -0.0002374900000000, 0.0005370500000000, 0.0001775200000000 ] - [ -0.0819092100000000, -0.0019491100000000, -0.0073297300000000 ] - [ 0.0001168300000000, -0.0000999900000000, -0.0002554300000000 ] - [ 0.0000395000000000, 0.0000372900000000, 0.0003898600000000 ] - [ 0.0004060800000000, -0.0002840400000000, -0.0002370700000000 ] - [ 0.0000159600000000, 0.0000741600000000, -0.0002719900000000 ] - [ 0.0002241700000000, 0.0000003900000000, -0.0004043700000000 ] - [ -0.0000624600000000, 0.0003494700000000, 0.0002235900000000 ] - [ -0.0002648600000000, -0.0010260400000000, 0.0007533500000000 ] - [ 0.0000403400000000, -0.0001224500000000, -0.0000480400000000 ] - [ 0.0000381100000000, 0.0013512200000000, 0.0002253800000000 ] - [ -0.0001050600000000, -0.0000699600000000, -0.0002254600000000 ] - [ -0.0000529600000000, -0.0006982300000000, -0.0003338800000000 ] - [ -0.0000976300000000, 0.0000070200000000, 0.0001617500000000 ] - [ 0.0002426000000000, 0.0002610900000000, -0.0000275400000000 ] - [ 0.0004895400000000, 0.0001399200000000, -0.0002161800000000 ] - [ -0.0001813100000000, -0.0002675800000000, 0.0002415800000000 ] - [ 0.0001444800000000, 0.0000204200000000, -0.0002438000000000 ] - [ 0.0007266100000000, -0.0006676400000000, -0.0001333400000000 ] - [ -0.0000552800000000, -0.0001043800000000, 0.0001557200000000 ] - [ 0.0006141800000000, -0.0000352200000000, -0.0002994200000000 ] - [ -0.0001099300000000, 0.0002324700000000, 0.0001670200000000 ] - [ -0.0015785900000000, 0.0001287000000000, -0.0008952400000000 ] - [ 0.0000991700000000, -0.0001523600000000, -0.0001401400000000 ] - [ 0.0002188700000000, 0.0001891300000000, -0.0002566600000000 ] - [ 0.0001091700000000, -0.0000139600000000, 0.0004043800000000 ] - [ -0.0002919700000000, 0.0005133900000000, 0.0004194100000000 ] - [ 0.0002579800000000, 0.0000650400000000, -0.0001941800000000 ] - [ -0.0000072500000000, -0.0000124200000000, 0.0005197600000000 ] - [ 0.0004270100000000, 0.0000397200000000, -0.0002155300000000 ] - [ -0.0000046400000000, 0.0000604500000000, 0.0001613400000000 ] - [ 0.0050421200000000, 0.0013111300000000, 0.0442756600000000 ] - [ 0.0001690100000000, -0.0001310100000000, -0.0000815800000000 ] - [ 0.0000819800000000, -0.0000218500000000, 0.0001699400000000 ] - [ -0.0002710700000000, -0.0003024100000000, 0.0002030500000000 ] - [ -0.0000126800000000, 0.0000287200000000, -0.0003829300000000 ] - [ -0.0002946100000000, -0.0004681700000000, 0.0004122400000000 ] - [ 0.0001754800000000, 0.0001948500000000, 0.0001290100000000 ] - [ -0.0006830100000000, 0.0001803800000000, 0.0008449400000000 ] - [ 0.0000133900000000, -0.0002718500000000, 0.0001418100000000 ] - [ -0.0003988900000000, 0.0004435000000000, 0.0002112800000000 ] - [ 0.0000389300000000, 0.0001815400000000, -0.0002910300000000 ] - [ -0.0005625900000000, -0.0000594700000000, -0.0002492300000000 ] - [ 0.0000716400000000, -0.0000486100000000, -0.0000025700000000 ] - [ -0.0008133800000000, -0.0001152100000000, 0.0004270200000000 ] - [ 0.0014433300000000, -0.0000380300000000, 0.0008489100000000 ] - [ 0.0005256900000000, -0.0019226400000000, -0.0007109800000000 ] - [ 0.0005054300000000, -0.0016226200000000, -0.0008404200000000 ] - [ 0.0001126700000000, -0.0003252100000000, -0.0002518300000000 ] - [ 0.0006451700000000, 0.0003272800000000, -0.0007762100000000 ] - [ 0.0013297500000000, -0.0000160900000000, -0.0000696000000000 ] - [ -0.0121412900000000, -0.0094527300000000, -0.0212424800000000 ] - [ 0.0023632700000000, -0.0007181300000000, 0.0000666600000000 ] - [ -0.0000039800000000, -0.0000533900000000, 0.0001638900000000 ] - [ 0.0002862200000000, -0.0001205700000000, 0.0001486300000000 ] - [ -0.0000628600000000, 0.0000487500000000, 0.0001724300000000 ] - [ -0.0000226000000000, -0.0000013900000000, 0.0001564900000000 ] - [ -0.0002123200000000, 0.0004860500000000, 0.0003274500000000 ] - [ -0.0002691600000000, 0.0000585000000000, -0.0001877000000000 ] - [ 0.0002362200000000, 0.0003120100000000, 0.0002206400000000 ] - [ 0.0000905400000000, -0.0000027500000000, 0.0001450400000000 ] - [ -0.0002749900000000, -0.0002322900000000, 0.0002215800000000 ] - [ 0.0000570400000000, 0.0000400500000000, -0.0002456300000000 ] - [ 0.0000561300000000, -0.0002262600000000, 0.0002287100000000 ] - [ 0.0021188400000000, -0.0000225400000000, -0.0002100900000000 ] - [ -0.0000904300000000, -0.0001003700000000, 0.0001010500000000 ] - [ 0.0001136800000000, -0.0000268500000000, 0.0000875800000000 ] - [ -0.0001995700000000, 0.0000167300000000, 0.0001719700000000 ] - [ 0.0008313200000000, -0.0000008700000000, -0.0006387900000000 ] - [ -0.0007614000000000, -0.0000571300000000, -0.0000277200000000 ] - [ -0.0000820400000000, -0.0004875500000000, 0.0003271300000000 ] - [ 0.0000461400000000, 0.0002005700000000, 0.0001644200000000 ] - [ 0.0002197100000000, 0.0013311400000000, -0.0000011700000000 ] - [ 0.0002460300000000, 0.0006039700000000, -0.0006546700000000 ] - [ 0.0001373800000000, -0.0011096200000000, 0.0000428400000000 ] - [ -0.0000206500000000, 0.0005233500000000, 0.0003410200000000 ] - [ 0.0002958500000000, -0.0007479000000000, -0.0007516700000000 ] - [ 0.0001453600000000, -0.0002068300000000, 0.0001727000000000 ] - [ 0.0016652500000000, 0.0000728500000000, 0.0004505400000000 ] - [ 0.0001352300000000, 0.0000023000000000, 0.0001021400000000 ] - [ 0.0000974600000000, 0.0000048400000000, 0.0000708200000000 ] - [ -0.0000404600000000, 0.0001009800000000, 0.0001023300000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000227200000000, 0.0002145700000000, 0.0001998800000000 ] - [ 0.0000484000000000, 0.0002421600000000, -0.0002081400000000 ] - [ -0.0000337000000000, 0.0000759600000000, 0.0001362100000000 ] - [ 0.0000129400000000, -0.0003629800000000, 0.0005954100000000 ] - [ -0.0001337200000000, 0.0002563400000000, -0.0001924300000000 ] - [ -0.0001568200000000, -0.0003883500000000, -0.0000802700000000 ] - [ 0.0001189900000000, -0.0000233100000000, 0.0023532300000000 ] - [ -0.0002692500000000, -0.0002009400000000, -0.0001320000000000 ] - [ -0.0000261900000000, 0.0000988300000000, 0.0000802100000000 ] - [ -0.0001481400000000, 0.0003726300000000, -0.0000750200000000 ] - [ 0.0000692000000000, -0.0000504500000000, 0.0000738000000000 ] - [ -0.0000872200000000, -0.0002565100000000, -0.0001174000000000 ] - [ 0.0011647700000000, -0.0012125300000000, -0.0010187800000000 ] - [ 0.0000097700000000, -0.0000951900000000, 0.0002519400000000 ] - [ 0.0001370500000000, -0.0000533700000000, -0.0002442900000000 ] - [ 0.0000179000000000, 0.0000990500000000, 0.0001482500000000 ] - [ -0.0001084100000000, -0.0000486000000000, 0.0001656200000000 ] - [ 0.0005196700000000, 0.0000767700000000, 0.0002161700000000 ] - [ -0.0001340100000000, 0.0004460300000000, 0.0001499300000000 ] - [ 0.0001121800000000, -0.0002847100000000, -0.0002485300000000 ] - [ 0.0004185900000000, 0.0001686700000000, -0.0001116800000000 ] - [ 0.0004812000000000, 0.0007212800000000, 0.0001578800000000 ] - [ 0.0000791500000000, -0.0001823500000000, 0.0002514600000000 ] - [ 0.0000833800000000, 0.0000262300000000, 0.0001339700000000 ] - [ 0.0004352100000000, -0.0006637700000000, 0.0004066400000000 ] - [ 0.0018121600000000, -0.0021085600000000, 0.0001536600000000 ] - [ 0.0017869900000000, 0.0020229900000000, 0.0000919900000000 ] - [ -0.0000374400000000, -0.0000032300000000, 0.0002721400000000 ] - [ 0.0001163800000000, 0.0001268900000000, 0.0002624000000000 ] - [ -0.0000232200000000, 0.0000820300000000, 0.0002446400000000 ] - [ 0.0005537700000000, -0.0001943700000000, -0.0000965800000000 ] - [ 0.0002979100000000, 0.0000760700000000, -0.0001666300000000 ] - [ 0.0000220600000000, 0.0000455100000000, 0.0002790600000000 ] - [ 0.0000846000000000, -0.0000365500000000, 0.0002459700000000 ] - [ 0.0002675700000000, -0.0000206200000000, -0.0000747100000000 ] - [ 0.0000135100000000, -0.0001820600000000, -0.0003335300000000 ] - [ 0.0002353900000000, 0.0001074900000000, 0.0002236400000000 ] - [ 0.0000455900000000, 0.0001798900000000, -0.0001726500000000 ] - [ -0.0002518800000000, -0.0000584600000000, -0.0010601200000000 ] - [ -0.0000976100000000, -0.0001178200000000, 0.0000551000000000 ] - [ 0.0013169800000000, 0.0000192900000000, -0.0004192200000000 ] - [ -0.0001220600000000, -0.0000234400000000, 0.0001186400000000 ] - [ 0.0001366800000000, 0.0003858100000000, -0.0001509300000000 ] - [ -0.0004038200000000, 0.0001094600000000, -0.0010935500000000 ] - [ 0.0008813900000000, -0.0000046600000000, -0.0001850800000000 ] - [ 0.0001977900000000, -0.0001473500000000, 0.0002007200000000 ] - [ 0.0012044600000000, 0.0012095500000000, -0.0011070700000000 ] - [ -0.0001983100000000, -0.0003645600000000, 0.0001245700000000 ] - [ -0.0030112500000000, 0.0008044700000000, 0.0002158400000000 ] - [ -0.0007507600000000, -0.0008401300000000, 0.0001152200000000 ] - [ -0.0000852600000000, 0.0000468100000000, 0.0002498600000000 ] - [ -0.0001427600000000, 0.0000502600000000, 0.0002521800000000 ] - [ -0.0001234900000000, 0.0002750000000000, 0.0006084700000000 ] - [ -0.0002964000000000, 0.0001348200000000, -0.0000639600000000 ] - [ -0.0000775300000000, -0.0000600700000000, 0.0001278600000000 ] - [ -0.0040422300000000, -0.0001306400000000, -0.0004150800000000 ] - [ 0.0002887300000000, 0.0000232300000000, 0.0001685500000000 ] - [ -0.0002122800000000, -0.0001132100000000, 0.0002030100000000 ] - [ -0.0037033900000000, -0.0023095600000000, -0.0003723000000000 ] - [ 0.0008582300000000, -0.0000176000000000, 0.0000562600000000 ] - [ -0.0007215300000000, 0.0007872900000000, -0.0000772000000000 ] - [ -0.0000428600000000, -0.0001320400000000, -0.0001677900000000 ] - [ 0.0001565600000000, -0.0000117500000000, 0.0000553100000000 ] - [ 0.0000885300000000, -0.0000451100000000, 0.0001033800000000 ] - [ 0.0004364300000000, 0.0000054000000000, 0.0001287200000000 ] - [ -0.0014461000000000, -0.0016570300000000, 0.0004487900000000 ] - [ 0.0044515100000000, -0.0001374600000000, 0.0000012700000000 ] - [ -0.0884592600000000, 0.0001586100000000, -0.0055503700000000 ] - [ -0.0014175100000000, -0.0034146100000000, -0.0008465400000000 ] - [ -0.0000226700000000, 0.0000412100000000, 0.0005191400000000 ] - [ -0.0000720200000000, 0.0007849500000000, 0.0001874500000000 ] - [ 0.0001038100000000, 0.0003921800000000, -0.0003559400000000 ] - [ -0.0002384800000000, -0.0001876000000000, -0.0003600600000000 ] - [ 0.0005817300000000, 0.0006288000000000, -0.0000788500000000 ] - [ 0.0012346100000000, -0.0000137500000000, -0.0006059300000000 ] - [ 0.0004596600000000, -0.0002060500000000, 0.0000808800000000 ] - [ -0.0000773900000000, -0.0000530900000000, 0.0004178500000000 ] - [ 0.0000011900000000, 0.0000993900000000, 0.0004287400000000 ] - [ 0.0010948800000000, -0.0008844000000000, -0.0001149300000000 ] - [ 0.0004967500000000, 0.0000482000000000, 0.0001415700000000 ] - [ 0.0000672000000000, -0.0000042900000000, -0.0002606700000000 ] - [ -0.0000351000000000, -0.0000420500000000, -0.0002853800000000 ] - [ -0.0018144700000000, 0.0035219900000000, -0.0007125900000000 ] - [ -0.0030226800000000, -0.0000980800000000, 0.0001667600000000 ] - [ -0.0000688000000000, -0.0000004500000000, -0.0003051500000000 ] - [ 0.0000302200000000, 0.0000541200000000, -0.0000316900000000 ] - [ 0.0000184200000000, -0.0000308200000000, 0.0002274500000000 ] - [ -0.0000135900000000, -0.0029081300000000, 0.0011266100000000 ] - [ 0.0001090700000000, 0.0000772500000000, 0.0003225200000000 ] - [ 0.0003038400000000, 0.0000204100000000, 0.0001856800000000 ] - [ -0.0000152600000000, -0.0000005300000000, 0.0004797700000000 ] - [ 0.0003927400000000, 0.0014879600000000, -0.0010567700000000 ] - [ 0.0119539300000000, -0.0079363800000000, 0.0209165400000000 ] - [ -0.0007091500000000, 0.0000638000000000, -0.0001013800000000 ] - [ -0.0004920500000000, -0.0004437100000000, -0.0001766400000000 ] - [ 0.0003285400000000, -0.0005565800000000, 0.0001711700000000 ] - [ 0.0000431600000000, 0.0000328700000000, 0.0002879400000000 ] - [ -0.0002283800000000, 0.0002022700000000, 0.0001607200000000 ] - [ 0.0005500600000000, -0.0000157900000000, 0.0003892900000000 ] - [ 0.0002722500000000, 0.0004775500000000, -0.0002408100000000 ] - [ -0.0004444000000000, 0.0000374300000000, 0.0001073300000000 ] - [ -0.0000293000000000, -0.0001246900000000, -0.0002073300000000 ] - [ 0.0006761400000000, 0.0000499900000000, -0.0000746300000000 ] - [ -0.0015028700000000, 0.0008293200000000, -0.0010285100000000 ] - [ 0.0009296300000000, -0.0006121000000000, 0.0000905400000000 ] - [ 0.0001642200000000, 0.0003098400000000, -0.0001092800000000 ] - [ 0.0002709000000000, 0.0000981200000000, 0.0001591600000000 ] - [ 0.0001131100000000, -0.0003257100000000, -0.0001725700000000 ] - [ 0.0810917600000000, 0.0017941100000000, 0.0084499600000000 ] - [ -0.0001211400000000, 0.0004038900000000, -0.0002366100000000 ] - [ -0.0000851800000000, 0.0000320200000000, 0.0000551400000000 ] - [ -0.0001766600000000, -0.0001064300000000, -0.0001032200000000 ] - [ -0.0001090300000000, 0.0000733800000000, 0.0000689400000000 ] - [ -0.0002192800000000, 0.0000023400000000, 0.0003659400000000 ] - [ -0.0000105300000000, 0.0002583100000000, 0.0001518200000000 ] - [ 0.0002600100000000, 0.0010199500000000, 0.0008912700000000 ] - [ -0.0004927100000000, 0.0001271100000000, -0.0002918400000000 ] - [ 0.0000774300000000, -0.0011452700000000, 0.0000302900000000 ] - [ -0.0001076500000000, 0.0000603800000000, -0.0001132600000000 ] - [ 0.0001850700000000, 0.0003964500000000, -0.0003115700000000 ] - [ -0.0004266500000000, -0.0000007200000000, -0.0004115900000000 ] - [ 0.0000069600000000, 0.0001943700000000, -0.0002219400000000 ] - [ -0.0007466900000000, 0.0000244400000000, -0.0002780000000000 ] - [ -0.0001340600000000, -0.0002785000000000, 0.0001847300000000 ] - [ -0.0000138800000000, -0.0000142500000000, -0.0002689700000000 ] - [ -0.0005672100000000, 0.0004054400000000, 0.0000458000000000 ] - [ -0.0000235600000000, -0.0000427000000000, 0.0001602400000000 ] - [ -0.0009354600000000, 0.0000000900000000, -0.0003445000000000 ] - [ -0.0002068400000000, 0.0003068300000000, 0.0002577500000000 ] - [ 0.0012100400000000, 0.0001476700000000, 0.0014336200000000 ] - [ 0.0001580900000000, -0.0003238300000000, -0.0001114600000000 ] - [ 0.0000528000000000, -0.0003281500000000, -0.0002377400000000 ] - [ -0.0004645800000000, -0.0002578400000000, 0.0001385200000000 ] - [ -0.0002571200000000, 0.0004471200000000, 0.0003824800000000 ] - [ -0.0003886500000000, 0.0001741800000000, -0.0001653400000000 ] - [ 0.0000066800000000, 0.0000110300000000, 0.0005414000000000 ] - [ -0.0001532400000000, -0.0000312500000000, -0.0001445400000000 ] - [ -0.0000821400000000, 0.0000950000000000, 0.0001504800000000 ] - [ -0.0051050000000000, -0.0014474600000000, -0.0441442600000000 ] - [ -0.0000701100000000, -0.0000580700000000, -0.0002565700000000 ] - [ 0.0000961100000000, 0.0000243100000000, 0.0001420100000000 ] - [ 0.0002704700000000, 0.0003058900000000, -0.0002386800000000 ] - [ 0.0000142200000000, -0.0000256900000000, -0.0004972600000000 ] - [ -0.0002566300000000, -0.0004863900000000, 0.0003895400000000 ] - [ 0.0000679100000000, -0.0001964400000000, -0.0001241900000000 ] - [ 0.0011083600000000, -0.0003624000000000, -0.0003125900000000 ] - [ -0.0000870600000000, -0.0003487200000000, 0.0002333400000000 ] - [ 0.0002705400000000, -0.0006611700000000, -0.0002069700000000 ] - [ 0.0000644000000000, -0.0000017100000000, -0.0000492000000000 ] - [ 0.0005036300000000, -0.0000445900000000, -0.0002753900000000 ] - [ 0.0001025200000000, 0.0000421200000000, -0.0002007400000000 ] - [ 0.0010395000000000, 0.0005057300000000, -0.0007833900000000 ] - [ -0.0014525400000000, 0.0000338800000000, 0.0007984800000000 ] - [ 0.0003409400000000, 0.0005009200000000, -0.0002550000000000 ] - [ 0.0002834000000000, 0.0030631900000000, -0.0001273900000000 ] - [ 0.0001554500000000, -0.0001274700000000, -0.0000002000000000 ] - [ -0.0004944800000000, -0.0000171600000000, 0.0001218500000000 ] - [ -0.0029991800000000, 0.0000578300000000, -0.0008979600000000 ] - [ 0.0122550900000000, 0.0092445300000000, 0.0207266500000000 ] - [ -0.0015979100000000, -0.0007482900000000, -0.0010364400000000 ] - [ -0.0000837800000000, -0.0000879900000000, 0.0001519000000000 ] - [ 0.0003027400000000, -0.0001193700000000, 0.0002261900000000 ] - [ -0.0000209200000000, 0.0000866200000000, 0.0001449000000000 ] - [ -0.0000216100000000, -0.0000748300000000, 0.0002887300000000 ] - [ 0.0002056900000000, -0.0004944400000000, -0.0004040000000000 ] - [ -0.0002724600000000, -0.0000734000000000, -0.0000641500000000 ] - [ -0.0002942100000000, 0.0001472100000000, 0.0003243100000000 ] - [ 0.0000682700000000, -0.0000018400000000, 0.0001720400000000 ] - [ -0.0002254900000000, -0.0001417500000000, 0.0001536000000000 ] - [ -0.0001173900000000, 0.0000758600000000, -0.0002666900000000 ] - [ -0.0001140400000000, -0.0002155700000000, 0.0003148100000000 ] - [ -0.0020726500000000, -0.0000640600000000, 0.0001720900000000 ] - [ -0.0000255200000000, -0.0001001500000000, 0.0000919400000000 ] - [ -0.0001167400000000, 0.0000095500000000, 0.0000689000000000 ] - [ -0.0002584400000000, -0.0000109600000000, 0.0001631100000000 ] - [ -0.0007989700000000, -0.0000469700000000, 0.0006692000000000 ] - [ 0.0007535400000000, 0.0000517100000000, 0.0001712900000000 ] - [ 0.0000257700000000, 0.0004917700000000, -0.0002926800000000 ] - [ 0.0001865600000000, 0.0002032500000000, 0.0001672600000000 ] - [ -0.0001741600000000, -0.0012574400000000, -0.0000395400000000 ] - [ -0.0002236900000000, -0.0005638600000000, -0.0000483700000000 ] - [ -0.0002304900000000, 0.0011018000000000, -0.0000792000000000 ] - [ 0.0000446400000000, -0.0004835200000000, -0.0003086400000000 ] - [ -0.0003049200000000, 0.0007412900000000, 0.0000417900000000 ] - [ 0.0000885700000000, -0.0001870200000000, 0.0001624600000000 ] - [ -0.0016565800000000, -0.0000826100000000, -0.0011565900000000 ] - [ 0.0001029600000000, 0.0000001400000000, 0.0000909600000000 ] - [ -0.0001104200000000, -0.0000166400000000, 0.0000854300000000 ] - [ -0.0000763900000000, 0.0001063200000000, 0.0000915200000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002410200000000, -0.0001635400000000, -0.0008425300000000 ] - [ 0.0008069000000000, 0.0007030500000000, -0.0003721200000000 ] - [ -0.0000470100000000, 0.0000933000000000, -0.0004387100000000 ] - [ -0.0009417600000000, 0.0004187400000000, -0.0004423800000000 ] - [ -0.0001241800000000, 0.0001766200000000, -0.0007894900000000 ] - [ -0.0002153900000000, -0.0006317600000000, -0.0000001800000000 ] - [ -0.0014457800000000, -0.0000284600000000, -0.0034026000000000 ] - [ -0.0003099800000000, -0.0005369000000000, -0.0012770600000000 ] - [ -0.0000916000000000, 0.0001727100000000, -0.0006339500000000 ] - [ -0.0002086900000000, 0.0005872600000000, 0.0000233300000000 ] - [ -0.0000228100000000, 0.0001994800000000, -0.0000288800000000 ] - [ -0.0000210000000000, -0.0000902500000000, -0.0007071700000000 ] - [ 0.0027810600000000, -0.0010445700000000, 0.0019584700000000 ] - [ 0.0000013000000000, -0.0001334000000000, -0.0004359200000000 ] - [ 0.0005061100000000, -0.0000756700000000, -0.0012047300000000 ] - [ -0.0000870600000000, -0.0001508000000000, -0.0000426300000000 ] - [ 0.0002054100000000, 0.0010503200000000, -0.0003721200000000 ] - [ 0.0001841600000000, 0.0000799900000000, -0.0000288800000000 ] - [ -0.0000163200000000, -0.0003378000000000, 0.0009212700000000 ] - [ 0.0001407500000000, -0.0001543200000000, 0.0009419200000000 ] - [ 0.0006129300000000, 0.0001129000000000, 0.0000233300000000 ] - [ -0.0002843800000000, -0.0001830400000000, 0.0009212700000000 ] - [ 0.0000102200000000, -0.0002296500000000, -0.0003788700000000 ] - [ 0.0001043100000000, 0.0000059400000000, -0.0004387100000000 ] - [ -0.0002373300000000, 0.0002469600000000, 0.0011711100000000 ] - [ -0.0022951500000000, 0.0018861800000000, 0.0019584700000000 ] - [ -0.0021909200000000, -0.0017143300000000, 0.0023128400000000 ] - [ -0.0001161800000000, -0.0000655700000000, -0.0004359200000000 ] - [ -0.0002621400000000, 0.0001269600000000, -0.0008425300000000 ] - [ 0.0000006200000000, 0.0001313800000000, -0.0005878100000000 ] - [ 0.0008424800000000, -0.0001827900000000, -0.0000238100000000 ] - [ 0.0002150400000000, -0.0000192300000000, -0.0007894900000000 ] - [ 0.0001134600000000, 0.0000662300000000, -0.0005878100000000 ] - [ 0.0001195700000000, -0.0000718200000000, -0.0004397400000000 ] - [ 0.0000838100000000, 0.0000773600000000, -0.0007090700000000 ] - [ 0.0008335200000000, -0.0006062200000000, -0.0004423800000000 ] - [ -0.0005795400000000, 0.0006382100000000, -0.0000238100000000 ] - [ 0.0000250900000000, 0.0001112600000000, -0.0007090700000000 ] - [ 0.0008061500000000, 0.0013963000000000, -0.0032026800000000 ] - [ -0.0000908400000000, -0.0001573500000000, -0.0007846100000000 ] - [ -0.0002040200000000, 0.0000447300000000, 0.0009419200000000 ] - [ 0.0001273800000000, -0.0011956700000000, -0.0004678900000000 ] - [ 0.0000041300000000, 0.0000071600000000, 0.0011661600000000 ] - [ 0.0006982500000000, -0.0012663100000000, -0.0034026000000000 ] - [ 0.0003397100000000, 0.0000627600000000, 0.0009181700000000 ] - [ 0.0001902800000000, -0.0001307400000000, -0.0003783400000000 ] - [ 0.0026765000000000, 0.0010366500000000, 0.0021130200000000 ] - [ -0.0001155000000000, 0.0003255700000000, 0.0009181700000000 ] - [ -0.0017878500000000, 0.0031335300000000, 0.0028299200000000 ] - [ -0.0003892000000000, -0.0027545500000000, 0.0023128400000000 ] - [ -0.0001219800000000, 0.0000676400000000, -0.0004397400000000 ] - [ -0.0002083700000000, 0.0000994200000000, -0.0003783400000000 ] - [ -0.0010991700000000, -0.0004875200000000, -0.0004678900000000 ] - [ -0.0003185900000000, 0.0004004700000000, -0.0012047300000000 ] - [ 0.0001497900000000, 0.0002594400000000, -0.0009272800000000 ] - [ 0.0036076400000000, 0.0000184400000000, 0.0028299200000000 ] - [ -0.0004394200000000, -0.0005024200000000, -0.0000001800000000 ] - [ -0.0002040000000000, -0.0001059700000000, -0.0003788700000000 ] - [ -0.0008069700000000, -0.0013977200000000, 0.0033873000000000 ] - [ 0.0003325400000000, -0.0000820500000000, 0.0011711100000000 ] - [ -0.0004404900000000, 0.0028362400000000, 0.0021130200000000 ] - [ -0.0000676600000000, -0.0000633100000000, -0.0007071700000000 ] - [ 0.0001953700000000, 0.0000070300000000, -0.0006339500000000 ] - [ 0.0004891900000000, -0.0000530400000000, -0.0016769400000000 ] - [ -0.0000686000000000, 0.0000182800000000, -0.0005415200000000 ] - [ -0.0012333100000000, 0.0021114900000000, -0.0015395900000000 ] - [ -0.0046044500000000, 0.0001392200000000, 0.0055385600000000 ] - [ 0.0052205900000000, 0.0090423300000000, 0.3616853100000000 ] - [ 0.0024228000000000, -0.0039179600000000, 0.0055385600000000 ] - [ 0.0000108200000000, 0.0000187500000000, -0.0015864100000000 ] - [ -0.0017261100000000, -0.0029897100000000, -0.0001544500000000 ] - [ 0.0005499100000000, 0.0009524700000000, -0.0022882600000000 ] - [ 0.0001488100000000, -0.0007166600000000, -0.0023412200000000 ] - [ -0.0003299500000000, -0.0000124600000000, 0.0032502700000000 ] - [ 0.0024452600000000, -0.0000123300000000, -0.0015395900000000 ] - [ -0.0006950500000000, -0.0002294600000000, -0.0023412200000000 ] - [ -0.0002905200000000, 0.0003971300000000, -0.0016769400000000 ] - [ -0.0001976600000000, -0.0003423600000000, -0.0016837200000000 ] - [ 0.0001541800000000, -0.0002919800000000, 0.0032502700000000 ] - [ 0.0000501300000000, -0.0000502700000000, -0.0005415200000000 ] - [ 0.0000730500000000, -0.0000055100000000, -0.0024532000000000 ] - [ -0.0000413000000000, 0.0000605100000000, -0.0024532000000000 ] - [ 0.0016401000000000, 0.0028407400000000, 0.0014983200000000 ] - [ 0.0000590900000000, 0.0001023400000000, -0.0077435400000000 ] - [ 0.0004050300000000, -0.0000061600000000, 0.0003678500000000 ] - [ -0.0002078500000000, 0.0003476900000000, 0.0003678500000000 ] - [ -0.0001428900000000, -0.0002474900000000, 0.0006422800000000 ] - [ -0.0011738000000000, -0.0016557900000000, -0.0010072200000000 ] - [ 0.0001857500000000, -0.0000600500000000, 0.0003885900000000 ] - [ 0.0006829400000000, -0.0000537900000000, 0.0008925100000000 ] - [ 0.0000171500000000, -0.0000007800000000, 0.0019375900000000 ] - [ 0.0006385900000000, -0.0013573800000000, 0.0004844500000000 ] - [ -0.0075625500000000, -0.0130987200000000, 0.0258973400000000 ] - [ -0.0006501400000000, 0.0001119500000000, -0.0011176100000000 ] - [ 0.0004863400000000, 0.0004201600000000, -0.0013301200000000 ] - [ -0.0003815800000000, -0.0006609200000000, -0.0011072600000000 ] - [ -0.0000074400000000, 0.0001328800000000, 0.0016251300000000 ] - [ -0.0001887200000000, 0.0001004700000000, 0.0009225500000000 ] - [ 0.0007899800000000, -0.0000039400000000, 0.0010966600000000 ] - [ -0.0027244200000000, 0.0022881700000000, -0.0019118200000000 ] - [ -0.0014365900000000, 0.0001424000000000, 0.0004528500000000 ] - [ 0.0001050800000000, 0.0001820100000000, 0.0012001700000000 ] - [ 0.0008416200000000, -0.0011729200000000, 0.0004528500000000 ] - [ 0.0033504700000000, 0.0010407700000000, -0.0019209700000000 ] - [ -0.0008470600000000, -0.0018444400000000, -0.0010072200000000 ] - [ 0.0000483700000000, 0.0002864100000000, 0.0004953500000000 ] - [ 0.0006646000000000, 0.0001593400000000, 0.0008785000000000 ] - [ -0.0001243600000000, 0.0010943100000000, 0.0001785100000000 ] - [ -0.0082058400000000, -0.0142129300000000, -0.4471023700000000 ] - [ 0.0001207000000000, 0.0006312600000000, -0.0013301200000000 ] - [ 0.0001188000000000, 0.0000599900000000, 0.0016251300000000 ] - [ -0.0000198200000000, -0.0000668800000000, -0.0000391800000000 ] - [ -0.0003493700000000, 0.0000758000000000, 0.0011916300000000 ] - [ -0.0003943600000000, -0.0000039500000000, 0.0012058600000000 ] - [ -0.0001943100000000, 0.0006552300000000, 0.0008785000000000 ] - [ -0.0000747700000000, 0.0000620400000000, -0.0032372400000000 ] - [ -0.0000480100000000, -0.0000506100000000, -0.0000391800000000 ] - [ -0.0007251300000000, -0.0012559600000000, -0.0008908100000000 ] - [ -0.0001304100000000, 0.0001264200000000, 0.0004429900000000 ] - [ 0.0005877300000000, -0.0010034500000000, -0.0005161200000000 ] - [ 0.0005217200000000, 0.0000278000000000, 0.0008896600000000 ] - [ 0.0002238500000000, 0.0001850900000000, 0.0004953500000000 ] - [ -0.0005694000000000, 0.0000378600000000, -0.0013372500000000 ] - [ -0.0000990700000000, -0.0001715900000000, 0.0009493800000000 ] - [ 0.0000683700000000, 0.0000113500000000, 0.0003045500000000 ] - [ 0.0004220200000000, -0.0005070600000000, -0.0011176100000000 ] - [ 0.0000837500000000, 0.0001210100000000, 0.0008866800000000 ] - [ -0.0011628700000000, 0.0000072600000000, -0.0005161200000000 ] - [ -0.0003880500000000, 0.0005645400000000, 0.0008925100000000 ] - [ -0.0005916900000000, 0.0001127600000000, 0.0037096400000000 ] - [ -0.0000034800000000, -0.0003208400000000, 0.0004862100000000 ] - [ 0.0003174900000000, -0.0004741800000000, -0.0013372500000000 ] - [ 0.0000128200000000, -0.0000723500000000, 0.0004136500000000 ] - [ -0.0003984000000000, 0.0006821800000000, 0.0010966600000000 ] - [ -0.0000795500000000, 0.0001693700000000, -0.0023342900000000 ] - [ -0.0000092500000000, 0.0000144600000000, 0.0019375900000000 ] - [ 0.0001864500000000, 0.0000157900000000, -0.0023342900000000 ] - [ 0.0000586400000000, -0.0001278100000000, 0.0008841200000000 ] - [ 0.0164018800000000, 0.0010654400000000, 0.0234411500000000 ] - [ 0.0001746900000000, -0.0000497300000000, 0.0004429900000000 ] - [ -0.0001400100000000, -0.0000131200000000, 0.0008841200000000 ] - [ 0.0001937600000000, -0.0003435000000000, 0.0012058600000000 ] - [ 0.0000244100000000, 0.0000422800000000, 0.0009440300000000 ] - [ -0.0003980600000000, -0.0006894600000000, 0.0011506900000000 ] - [ 0.0010098800000000, 0.0004394500000000, 0.0001785100000000 ] - [ 0.0003934900000000, -0.0004560400000000, 0.0037096400000000 ] - [ -0.0002802300000000, -0.0006071300000000, 0.0008767400000000 ] - [ 0.0011412000000000, 0.0019766100000000, 0.0005288300000000 ] - [ -0.0003316900000000, -0.0005745100000000, 0.0008132400000000 ] - [ -0.0000357200000000, -0.0000618800000000, 0.0036343700000000 ] - [ 0.0002403300000000, -0.0002646600000000, 0.0011916300000000 ] - [ 0.0002440600000000, 0.0004227200000000, 0.0034299700000000 ] - [ 0.0000911100000000, -0.0000337300000000, -0.0032372400000000 ] - [ -0.0002384900000000, 0.0003927700000000, -0.0015361000000000 ] - [ -0.0007739000000000, 0.0034219800000000, -0.0019209700000000 ] - [ -0.0002367800000000, 0.0004657200000000, 0.0008896600000000 ] - [ -0.0014948200000000, -0.0001256600000000, 0.0004844500000000 ] - [ 0.0004593900000000, -0.0000101500000000, -0.0015361000000000 ] - [ -0.0072782400000000, 0.0147371700000000, 0.0234411500000000 ] - [ 0.0033438300000000, -0.0012153300000000, -0.0019118200000000 ] - [ 0.0000629200000000, 0.0001330400000000, 0.0008866800000000 ] - [ 0.0001813700000000, -0.0001132000000000, 0.0009225500000000 ] - [ 0.0001063100000000, -0.0001826900000000, 0.0009608800000000 ] - [ -0.0001159700000000, -0.0002008700000000, 0.0016274200000000 ] - [ 0.0006750000000000, 0.0011691300000000, -0.0005295800000000 ] - [ -0.0002761200000000, -0.0001634400000000, 0.0004862100000000 ] - [ -0.0001448800000000, 0.0001308400000000, 0.0003885900000000 ] - [ -0.0002113700000000, 0.0000007200000000, 0.0009608800000000 ] - [ -0.0003856700000000, -0.0005462500000000, 0.0008767400000000 ] - [ -0.0000243600000000, 0.0000648800000000, 0.0003045500000000 ] - [ -0.0000690700000000, -0.0000250700000000, 0.0004136500000000 ] - [ 0.0003486700000000, -0.0000617000000000, -0.0023509100000000 ] - [ -0.0000601500000000, -0.0001041900000000, 0.0010884400000000 ] - [ 0.0000008700000000, -0.0000205400000000, 0.0002522400000000 ] - [ -0.0002206500000000, 0.0000028400000000, 0.0007302500000000 ] - [ -0.0012236400000000, -0.0000477500000000, 0.0000077800000000 ] - [ 0.0000140200000000, 0.0000242900000000, 0.0026476900000000 ] - [ 0.0005704600000000, -0.0010835800000000, 0.0000077800000000 ] - [ 0.0001231500000000, 0.0002133000000000, 0.0011622900000000 ] - [ -0.0000435900000000, -0.0000755000000000, -0.0026615000000000 ] - [ -0.0008562600000000, -0.0014830900000000, -0.0004378100000000 ] - [ -0.0002277700000000, 0.0002711000000000, -0.0023509100000000 ] - [ 0.0006149600000000, 0.0010651300000000, 0.0000134200000000 ] - [ -0.0010562600000000, 0.0019969000000000, -0.0001180800000000 ] - [ 0.0001127800000000, -0.0001896700000000, 0.0007302500000000 ] - [ 0.0022574900000000, 0.0000837000000000, -0.0001180800000000 ] - [ 0.0001316900000000, 0.0000020400000000, 0.0006867700000000 ] - [ -0.0000182200000000, -0.0000095100000000, 0.0002522400000000 ] - [ -0.0000640700000000, 0.0001150700000000, 0.0006867700000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001872000000000, 0.0005796700000000, 0.0012604600000000 ] - [ -0.0009215300000000, -0.0004730500000000, 0.0007134300000000 ] - [ -0.0000056300000000, 0.0000133600000000, 0.0007126200000000 ] - [ 0.0009574700000000, -0.0006936500000000, 0.0006848500000000 ] - [ -0.0001223500000000, 0.0002644800000000, 0.0003512800000000 ] - [ -0.0000059500000000, 0.0002449400000000, -0.0000061000000000 ] - [ 0.0018955000000000, 0.0000329200000000, 0.0033770900000000 ] - [ 0.0000521800000000, 0.0000903800000000, 0.0008403100000000 ] - [ -0.0000359500000000, 0.0000714500000000, 0.0007463300000000 ] - [ -0.0000261200000000, -0.0001951700000000, -0.0000338700000000 ] - [ 0.0000356000000000, 0.0000896000000000, 0.0002666900000000 ] - [ -0.0001173600000000, -0.0003457400000000, 0.0004595700000000 ] - [ -0.0029690300000000, 0.0006407300000000, -0.0025312700000000 ] - [ 0.0000306200000000, -0.0000246200000000, 0.0009341200000000 ] - [ -0.0000748400000000, -0.0000319000000000, 0.0009473500000000 ] - [ -0.0000330700000000, -0.0000572800000000, 0.0003886100000000 ] - [ 0.0000510900000000, -0.0010345900000000, 0.0007134300000000 ] - [ 0.0000598000000000, 0.0000756300000000, 0.0002666900000000 ] - [ -0.0000143700000000, 0.0006287500000000, -0.0008032300000000 ] - [ -0.0003342400000000, 0.0005813400000000, -0.0015279500000000 ] - [ -0.0001559600000000, -0.0001202000000000, -0.0000338700000000 ] - [ 0.0005516900000000, 0.0003019300000000, -0.0008032300000000 ] - [ 0.0000453300000000, -0.0002004900000000, 0.0007957600000000 ] - [ 0.0000143800000000, 0.0000018000000000, 0.0007126200000000 ] - [ 0.0005128300000000, -0.0002379600000000, -0.0005716400000000 ] - [ 0.0020394000000000, -0.0022508900000000, -0.0025312700000000 ] - [ 0.0020772600000000, 0.0019131200000000, -0.0026293600000000 ] - [ -0.0000366300000000, 0.0000142000000000, 0.0009341200000000 ] - [ 0.0005956100000000, 0.0001277100000000, 0.0012604600000000 ] - [ 0.0000177900000000, 0.0000274500000000, 0.0010823200000000 ] - [ -0.0000906000000000, 0.0001698000000000, 0.0000653900000000 ] - [ 0.0002902200000000, 0.0000262800000000, 0.0003512800000000 ] - [ 0.0000148800000000, 0.0000291300000000, 0.0010823200000000 ] - [ 0.0000116900000000, -0.0000375900000000, 0.0009332800000000 ] - [ 0.0003519600000000, 0.0000266300000000, 0.0004532500000000 ] - [ -0.0010794500000000, 0.0004823700000000, 0.0006848500000000 ] - [ 0.0001923600000000, 0.0000064400000000, 0.0000653900000000 ] - [ -0.0001529200000000, 0.0003181200000000, 0.0004532500000000 ] - [ -0.0011808300000000, -0.0020452600000000, 0.0032226100000000 ] - [ -0.0000402100000000, -0.0000696400000000, 0.0009016700000000 ] - [ 0.0006705800000000, 0.0000012100000000, -0.0015279500000000 ] - [ 0.0001058500000000, 0.0010142200000000, 0.0007056000000000 ] - [ -0.0001152400000000, -0.0001995900000000, -0.0015023700000000 ] - [ -0.0009192400000000, 0.0016580100000000, 0.0033770900000000 ] - [ -0.0003707400000000, -0.0003640300000000, -0.0008093600000000 ] - [ 0.0001466300000000, -0.0001192400000000, 0.0007959000000000 ] - [ -0.0029535800000000, -0.0006741900000000, -0.0026798400000000 ] - [ -0.0001298900000000, -0.0005030900000000, -0.0008093600000000 ] - [ 0.0014825000000000, -0.0028209700000000, -0.0027763400000000 ] - [ 0.0006181800000000, 0.0027555200000000, -0.0026293600000000 ] - [ -0.0000384000000000, -0.0000086700000000, 0.0009332800000000 ] - [ -0.0001765800000000, 0.0000673700000000, 0.0007959000000000 ] - [ 0.0008254200000000, 0.0005987800000000, 0.0007056000000000 ] - [ 0.0000097900000000, -0.0000807700000000, 0.0009473500000000 ] - [ -0.0002157700000000, -0.0003737200000000, 0.0011932800000000 ] - [ -0.0031842800000000, -0.0001266100000000, -0.0027763400000000 ] - [ 0.0002151000000000, 0.0001173200000000, -0.0000061000000000 ] - [ -0.0001962900000000, -0.0000609800000000, 0.0007957600000000 ] - [ 0.0005651600000000, 0.0009788800000000, -0.0028727600000000 ] - [ -0.0004625000000000, 0.0003251500000000, -0.0005716400000000 ] - [ 0.0008929200000000, -0.0028949800000000, -0.0026798400000000 ] - [ -0.0002407400000000, -0.0002745100000000, 0.0004595700000000 ] - [ 0.0000798500000000, 0.0000045900000000, 0.0007463300000000 ] - [ -0.0004363900000000, -0.0000394400000000, 0.0022622300000000 ] - [ -0.0000003200000000, 0.0000953000000000, 0.0007669600000000 ] - [ 0.0012320200000000, -0.0021067800000000, 0.0016962500000000 ] - [ 0.0045745800000000, -0.0001370000000000, -0.0065235200000000 ] - [ -0.0044634800000000, -0.0077309800000000, -0.3366314300000000 ] - [ -0.0024059400000000, 0.0038932000000000, -0.0065235200000000 ] - [ -0.0000101000000000, -0.0000174900000000, 0.0024848300000000 ] - [ 0.0017173800000000, 0.0029745800000000, -0.0005131800000000 ] - [ -0.0003093100000000, -0.0005357400000000, 0.0018153800000000 ] - [ -0.0006150600000000, 0.0007121300000000, 0.0018618600000000 ] - [ -0.0002362600000000, 0.0000119200000000, -0.0033378100000000 ] - [ -0.0024405400000000, 0.0000135700000000, 0.0016962500000000 ] - [ 0.0009242500000000, -0.0001765900000000, 0.0018618600000000 ] - [ 0.0001840400000000, -0.0003976400000000, 0.0022622300000000 ] - [ 0.0002549900000000, 0.0004416600000000, 0.0022738900000000 ] - [ 0.0001284500000000, -0.0001986500000000, -0.0033378100000000 ] - [ 0.0000826900000000, 0.0000473700000000, 0.0007669600000000 ] - [ -0.0000570300000000, -0.0000036400000000, 0.0018587800000000 ] - [ 0.0000253600000000, -0.0000512000000000, 0.0018587800000000 ] - [ -0.0016280000000000, -0.0028197800000000, -0.0008204900000000 ] - [ -0.0001244200000000, -0.0002154900000000, 0.0079776400000000 ] - [ -0.0004060500000000, 0.0000023000000000, -0.0006046200000000 ] - [ 0.0002050100000000, -0.0003505000000000, -0.0006046200000000 ] - [ 0.0001451800000000, 0.0002514600000000, -0.0003104600000000 ] - [ 0.0012821600000000, 0.0014418500000000, 0.0012720100000000 ] - [ 0.0002425500000000, 0.0002375800000000, 0.0001710900000000 ] - [ -0.0000535600000000, 0.0000492300000000, -0.0004741200000000 ] - [ -0.0000181400000000, -0.0000002600000000, -0.0008777500000000 ] - [ -0.0004369800000000, 0.0016283100000000, -0.0011346900000000 ] - [ 0.0074795100000000, 0.0129549000000000, -0.0253741000000000 ] - [ 0.0003468300000000, -0.0001036500000000, 0.0010140600000000 ] - [ -0.0002175000000000, -0.0002658000000000, 0.0008195400000000 ] - [ 0.0003790200000000, 0.0006564800000000, 0.0003063500000000 ] - [ 0.0000916400000000, -0.0001365200000000, -0.0011690600000000 ] - [ -0.0003127400000000, 0.0002901600000000, -0.0005546500000000 ] - [ 0.0003161900000000, 0.0000089000000000, -0.0003011900000000 ] - [ 0.0010518000000000, -0.0023302500000000, 0.0009555400000000 ] - [ 0.0016305300000000, -0.0004190300000000, -0.0011028800000000 ] - [ -0.0001980200000000, -0.0003429800000000, -0.0013887700000000 ] - [ -0.0011781500000000, 0.0012025600000000, -0.0011028800000000 ] - [ -0.0024678300000000, 0.0003690000000000, 0.0009639200000000 ] - [ 0.0006075900000000, 0.0018313100000000, 0.0012720100000000 ] - [ 0.0002262200000000, 0.0001618400000000, -0.0007358000000000 ] - [ -0.0001002000000000, 0.0000811100000000, -0.0005101600000000 ] - [ 0.0000019600000000, -0.0008784100000000, -0.0001726300000000 ] - [ 0.0075840300000000, 0.0131359200000000, 0.4200754000000000 ] - [ -0.0001214400000000, -0.0003212600000000, 0.0008195400000000 ] - [ -0.0001640500000000, 0.0000111100000000, -0.0011690600000000 ] - [ 0.0002480100000000, -0.0003206100000000, -0.0002853600000000 ] - [ 0.0002548800000000, 0.0000730600000000, -0.0013802900000000 ] - [ 0.0003943300000000, 0.0000070100000000, -0.0012245700000000 ] - [ 0.0001203400000000, -0.0000462200000000, -0.0005101600000000 ] - [ 0.0000670000000000, -0.0000588500000000, 0.0048594700000000 ] - [ -0.0004016600000000, 0.0000544700000000, -0.0002853600000000 ] - [ 0.0008346400000000, 0.0014456400000000, 0.0011468500000000 ] - [ -0.0000797300000000, -0.0001341800000000, -0.0007698300000000 ] - [ -0.0004486500000000, 0.0006943400000000, -0.0001358200000000 ] - [ -0.0010439500000000, -0.0000182800000000, -0.0011273300000000 ] - [ 0.0000270500000000, 0.0002768300000000, -0.0007358000000000 ] - [ 0.0003078900000000, 0.0001250400000000, 0.0008245300000000 ] - [ -0.0002175200000000, -0.0003767600000000, -0.0005287100000000 ] - [ 0.0000621000000000, -0.0000050500000000, -0.0008128300000000 ] - [ -0.0002631800000000, 0.0002485400000000, 0.0010140600000000 ] - [ -0.0001619700000000, -0.0002679300000000, -0.0005722700000000 ] - [ 0.0008256400000000, -0.0000413700000000, -0.0001358200000000 ] - [ 0.0000694200000000, -0.0000217700000000, -0.0004741200000000 ] - [ 0.0002222400000000, 0.0001653700000000, -0.0031553300000000 ] - [ 0.0002601600000000, -0.0001626500000000, -0.0007283100000000 ] - [ -0.0000456500000000, 0.0003291600000000, 0.0008245300000000 ] - [ -0.0003652400000000, -0.0002008100000000, 0.0001446200000000 ] - [ -0.0001503900000000, 0.0002782800000000, -0.0003011900000000 ] - [ -0.0000502200000000, 0.0000700200000000, 0.0019551800000000 ] - [ 0.0000088500000000, -0.0000158400000000, -0.0008777500000000 ] - [ 0.0000857500000000, -0.0000084800000000, 0.0019551800000000 ] - [ -0.0001458400000000, 0.0002842200000000, -0.0005739000000000 ] - [ -0.0161805200000000, -0.0011878500000000, -0.0234395400000000 ] - [ -0.0000763400000000, -0.0001361400000000, -0.0007698300000000 ] - [ 0.0003190600000000, 0.0000158100000000, -0.0005739000000000 ] - [ -0.0001910900000000, 0.0003450100000000, -0.0012245700000000 ] - [ -0.0000223800000000, -0.0000387600000000, -0.0018215400000000 ] - [ -0.0001531500000000, -0.0002652600000000, -0.0003547600000000 ] - [ -0.0007617000000000, -0.0004375000000000, -0.0001726300000000 ] - [ 0.0000321000000000, 0.0002751500000000, -0.0031553300000000 ] - [ 0.0002050400000000, -0.0000142400000000, -0.0005086600000000 ] - [ -0.0012561600000000, -0.0021757300000000, -0.0005220700000000 ] - [ 0.0004303000000000, 0.0007453100000000, -0.0011374500000000 ] - [ -0.0000248000000000, -0.0000429500000000, -0.0041430300000000 ] - [ -0.0000641700000000, 0.0002572600000000, -0.0013802900000000 ] - [ -0.0000207500000000, -0.0000359500000000, -0.0037603500000000 ] - [ -0.0000844700000000, 0.0000286000000000, 0.0048594700000000 ] - [ 0.0010995600000000, -0.0018005600000000, 0.0005757500000000 ] - [ 0.0015534800000000, -0.0019527000000000, 0.0009639200000000 ] - [ 0.0005061500000000, -0.0009132300000000, -0.0011273300000000 ] - [ 0.0016286400000000, 0.0004357200000000, -0.0011346900000000 ] - [ -0.0021091100000000, 0.0000519600000000, 0.0005757500000000 ] - [ 0.0070615500000000, -0.0146066700000000, -0.0234395400000000 ] - [ -0.0025439600000000, -0.0002542400000000, 0.0009555400000000 ] - [ -0.0001510500000000, -0.0002742400000000, -0.0005722700000000 ] - [ 0.0004076500000000, -0.0001257600000000, -0.0005546500000000 ] - [ -0.0001897000000000, 0.0003173500000000, -0.0006445400000000 ] - [ 0.0000702100000000, 0.0001216000000000, -0.0011701000000000 ] - [ -0.0006746800000000, -0.0011685800000000, 0.0004350100000000 ] - [ -0.0002709400000000, 0.0001439800000000, -0.0007283100000000 ] - [ 0.0000844700000000, 0.0003288500000000, 0.0001710900000000 ] - [ 0.0003696800000000, -0.0000056000000000, -0.0006445400000000 ] - [ -0.0001148500000000, 0.0001704500000000, -0.0005086600000000 ] - [ -0.0000354200000000, 0.0000512600000000, -0.0008128300000000 ] - [ 0.0000087200000000, -0.0004167100000000, 0.0001446200000000 ] - [ -0.0003084900000000, -0.0000234300000000, 0.0022926900000000 ] - [ -0.0000555200000000, -0.0000961700000000, -0.0009021000000000 ] - [ -0.0000034800000000, 0.0000017600000000, -0.0000907900000000 ] - [ -0.0002405100000000, 0.0000029000000000, -0.0003948800000000 ] - [ 0.0012473400000000, 0.0000009800000000, 0.0000439500000000 ] - [ -0.0000156700000000, -0.0000271400000000, -0.0024789600000000 ] - [ -0.0006228200000000, 0.0010807200000000, 0.0000439500000000 ] - [ 0.0001117500000000, 0.0001935600000000, -0.0008266600000000 ] - [ 0.0000889200000000, 0.0001540100000000, 0.0025949900000000 ] - [ 0.0008661500000000, 0.0015002200000000, -0.0002707200000000 ] - [ 0.0001339600000000, -0.0002788700000000, 0.0022926900000000 ] - [ -0.0005881900000000, -0.0010187700000000, 0.0000366400000000 ] - [ 0.0010361500000000, -0.0019761000000000, -0.0005923100000000 ] - [ 0.0001227600000000, -0.0002068400000000, -0.0003948800000000 ] - [ -0.0022294200000000, -0.0000907200000000, -0.0005923100000000 ] - [ 0.0001060100000000, 0.0000006000000000, -0.0005010400000000 ] - [ 0.0000032700000000, -0.0000021300000000, -0.0000907900000000 ] - [ -0.0000524900000000, 0.0000921100000000, -0.0005010400000000 ]- atom: 112 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005510600000000, 0.0003735600000000, -0.0002353100000000 ] - [ -0.0005403300000000, 0.0013988100000000, -0.0001131100000000 ] - [ -0.0003019900000000, 0.0008417800000000, 0.0013838400000000 ] - [ -0.0001191700000000, -0.0004372300000000, -0.0000757600000000 ] - [ -0.0001077400000000, 0.0002232900000000, -0.0001348100000000 ] - [ -0.0000652000000000, -0.0002128300000000, 0.0000596200000000 ] - [ 0.0001999400000000, 0.0000444100000000, 0.0000834900000000 ] - [ -0.0001367400000000, -0.0001863800000000, -0.0001658000000000 ] - [ 0.0001365200000000, -0.0000551800000000, 0.0000420800000000 ] - [ -0.0001680200000000, 0.0001939000000000, 0.0000465100000000 ] - [ 0.0002341900000000, -0.0015432900000000, -0.0002053600000000 ] - [ -0.0000966500000000, -0.0002474200000000, -0.0000866000000000 ] - [ -0.0001436100000000, -0.0003119100000000, -0.0003329500000000 ] - [ 0.0001461000000000, -0.0000448100000000, 0.0004514400000000 ] - [ 0.0001917000000000, -0.0000597900000000, -0.0000624100000000 ] - [ -0.0028097800000000, 0.0025717200000000, 0.0007573500000000 ] - [ 0.0005583700000000, 0.0006704600000000, -0.0000645900000000 ] - [ 0.0033475800000000, 0.0027051300000000, -0.0004544900000000 ] - [ -0.0008186200000000, 0.0003318100000000, -0.0002929400000000 ] - [ 0.0000452100000000, -0.0000320300000000, -0.0000289400000000 ] - [ 0.0002498800000000, -0.0000066800000000, 0.0000253000000000 ] - [ -0.0006335300000000, -0.0000229500000000, -0.0032769300000000 ] - [ 0.0003235000000000, -0.0011358600000000, 0.0012093500000000 ] - [ -0.0001815100000000, 0.0003747200000000, 0.0002158300000000 ] - [ 0.0001345400000000, -0.0004681000000000, 0.0002663200000000 ] - [ -0.0000702400000000, -0.0000545300000000, 0.0002503000000000 ] - [ -0.0001415700000000, 0.0003470100000000, -0.0000908900000000 ] - [ -0.0000192700000000, 0.0000734100000000, 0.0001454200000000 ] - [ -0.0001419100000000, 0.0000166500000000, 0.0003309100000000 ] - [ -0.0000255600000000, 0.0001102000000000, 0.0003189100000000 ] - [ 0.0003805600000000, -0.0000488100000000, 0.0000865900000000 ] - [ 0.0002266300000000, 0.0000299500000000, -0.0001661600000000 ] - [ -0.0000523600000000, 0.0001171800000000, 0.0001176700000000 ] - [ 0.0000485900000000, -0.0000628900000000, 0.0005551000000000 ] - [ 0.0002807300000000, 0.0000308300000000, -0.0000752100000000 ] - [ 0.0049182200000000, -0.0004828500000000, 0.0006656900000000 ] - [ -0.0001339800000000, 0.0003182600000000, 0.0001029900000000 ] - [ -0.0000407300000000, 0.0002043000000000, -0.0000712800000000 ] - [ -0.0002470200000000, -0.0003309600000000, 0.0000753700000000 ] - [ -0.0002017300000000, -0.0001584300000000, 0.0001880800000000 ] - [ 0.0005129900000000, 0.0000614700000000, -0.0001829200000000 ] - [ -0.0013851500000000, -0.0001964400000000, 0.0002270900000000 ] - [ -0.0001100900000000, -0.0000627000000000, -0.0004119400000000 ] - [ -0.0001217400000000, 0.0002049000000000, 0.0000503300000000 ] - [ 0.0003460300000000, 0.0005041000000000, 0.0004053700000000 ] - [ 0.0016124500000000, -0.0009030400000000, -0.0002521000000000 ] - [ -0.0001966200000000, 0.0001626200000000, -0.0005138200000000 ] - [ 0.0007834400000000, -0.0007035200000000, 0.0000939400000000 ] - [ -0.0001575600000000, 0.0001122800000000, 0.0000247800000000 ] - [ 0.0002215500000000, 0.0000178800000000, -0.0002357400000000 ] - [ -0.0001941800000000, 0.0000855600000000, 0.0003763300000000 ] - [ 0.0001628700000000, -0.0000382600000000, 0.0003301400000000 ] - [ -0.0031261800000000, -0.0023063400000000, 0.0003991800000000 ] - [ -0.0001987500000000, 0.0001784100000000, -0.0000952900000000 ] - [ -0.0001600700000000, 0.0003244200000000, 0.0001484400000000 ] - [ -0.0006457000000000, 0.0007686000000000, 0.0006591500000000 ] - [ -0.0000956200000000, -0.0001693100000000, 0.0000567800000000 ] - [ -0.0005045800000000, -0.0004581800000000, -0.0001901600000000 ] - [ -0.0009582700000000, -0.0003402200000000, -0.0000041800000000 ] - [ 0.0023356200000000, 0.0004806800000000, 0.0012928000000000 ] - [ -0.0001555000000000, -0.0000468100000000, -0.0001543700000000 ] - [ -0.0001233700000000, -0.0001872400000000, -0.0000416100000000 ] - [ 0.0001742700000000, -0.0000519900000000, 0.0001054600000000 ] - [ 0.0005376700000000, -0.0000643100000000, -0.0043180200000000 ] - [ 0.1457612700000000, -0.1054180500000000, -0.0440592800000000 ] - [ -0.0000621100000000, -0.0000662100000000, 0.0003868400000000 ] - [ 0.0013579900000000, -0.0022087700000000, -0.0015143800000000 ] - [ -0.0003406400000000, 0.0003683600000000, 0.0001657600000000 ] - [ -0.0037442200000000, -0.0043123700000000, 0.0018782700000000 ] - [ -0.0001715300000000, 0.0004283800000000, 0.0007348300000000 ] - [ -0.0000079800000000, 0.0000653000000000, -0.0003448000000000 ] - [ 0.0000228400000000, 0.0001969000000000, 0.0000798400000000 ] - [ -0.0001866300000000, -0.0000218700000000, -0.0000249800000000 ] - [ -0.0004217900000000, 0.0000330900000000, 0.0000284500000000 ] - [ 0.0000695100000000, -0.0000453000000000, 0.0001964700000000 ] - [ 0.0001686800000000, -0.0001843100000000, -0.0002704700000000 ] - [ 0.0006555800000000, 0.0005112800000000, 0.0000570000000000 ] - [ -0.0015275000000000, 0.0000536300000000, 0.0026204500000000 ] - [ 0.0007114300000000, -0.0004815100000000, -0.0000960700000000 ] - [ -0.0002869800000000, 0.0010571200000000, -0.0000444100000000 ] - [ 0.0000785600000000, -0.0001979100000000, 0.0001699500000000 ] - [ 0.0000262200000000, -0.0001090200000000, -0.0008722100000000 ] - [ 0.0001735600000000, 0.0021906800000000, -0.0012664300000000 ] - [ -0.0028173600000000, -0.0001468500000000, -0.0004075700000000 ] - [ 0.0001494000000000, 0.0011539900000000, -0.0005909300000000 ] - [ 0.0018080300000000, 0.0011486100000000, 0.0012031900000000 ] - [ 0.0001635000000000, -0.0009485800000000, -0.0000959500000000 ] - [ 0.0005355200000000, -0.0013500300000000, 0.0005025900000000 ] - [ -0.0163858800000000, 0.0107738600000000, 0.0006932300000000 ] - [ -0.0000670100000000, 0.0000415900000000, 0.0002060800000000 ] - [ -0.0000697200000000, 0.0001102500000000, 0.0001619500000000 ] - [ 0.0001290100000000, 0.0001896400000000, -0.0004725600000000 ] - [ 0.0002831600000000, 0.0001918300000000, -0.0001044600000000 ] - [ -0.0000995100000000, 0.0000790800000000, -0.0000797700000000 ] - [ 0.0001265500000000, 0.0000309900000000, -0.0003086000000000 ] - [ -0.0000232800000000, -0.0012125100000000, 0.0005112700000000 ] - [ 0.0000145300000000, 0.0000018700000000, 0.0000792700000000 ] - [ -0.0002993900000000, 0.0000554900000000, 0.0001974900000000 ] - [ 0.0006411600000000, -0.0001399600000000, 0.0003337400000000 ] - [ 0.0011408000000000, 0.0007153800000000, -0.0003832100000000 ] - [ 0.0000900500000000, -0.0001184200000000, -0.0003378900000000 ] - [ 0.0012961800000000, -0.0000013400000000, -0.0017892600000000 ] - [ -0.0001286800000000, 0.0000315100000000, -0.0004376900000000 ] - [ 0.0002893900000000, 0.0013229400000000, -0.0004182600000000 ] - [ -0.0004635200000000, -0.0003399700000000, 0.0004899200000000 ] - [ 0.0001215100000000, 0.0002518300000000, -0.0001984300000000 ] - [ 0.0009364300000000, 0.0001378100000000, -0.0004099400000000 ] - [ -0.0000618700000000, 0.0000826600000000, -0.0000228800000000 ] - [ 0.0002244700000000, -0.0002245200000000, -0.0003231200000000 ] - [ -0.0001902700000000, 0.0001400500000000, -0.0002109900000000 ] - [ -0.0000452900000000, 0.0000241900000000, 0.0002847800000000 ] - [ -0.1625932000000000, 0.1460273500000000, 0.0604585600000000 ] - [ 0.0001774300000000, -0.0016590700000000, 0.0034066200000000 ] - [ -0.0000171200000000, 0.0000146700000000, -0.0001103300000000 ] - [ 0.0006413800000000, -0.0002505600000000, -0.0003895500000000 ] - [ 0.0005632000000000, 0.0008077400000000, -0.0007102900000000 ] - [ -0.0000310800000000, 0.0000530200000000, -0.0000409000000000 ] - [ 0.0000073800000000, -0.0009680100000000, 0.0006754300000000 ] - [ -0.0001570700000000, 0.0000139700000000, -0.0002380500000000 ] - [ 0.0000734000000000, -0.0001372600000000, -0.0004484100000000 ] - [ -0.0002687700000000, -0.0000157200000000, -0.0001403800000000 ] - [ 0.0001023200000000, 0.0001978100000000, -0.0001274300000000 ] - [ -0.0005693700000000, 0.0001094400000000, -0.0003098300000000 ] - [ 0.0005284100000000, 0.0002871600000000, -0.0003740900000000 ] - [ 0.0001639600000000, -0.0001426200000000, -0.0001138400000000 ] - [ -0.0002427200000000, 0.0001465600000000, -0.0000221100000000 ] - [ 0.0000358500000000, 0.0000584500000000, 0.0002983300000000 ] - [ -0.0002413800000000, -0.0000097900000000, -0.0003693200000000 ] - [ -0.0008139200000000, 0.0008747500000000, 0.0011242600000000 ] - [ 0.0018089600000000, -0.0003996500000000, 0.0006959500000000 ] - [ 0.0001914100000000, -0.0002880500000000, -0.0002218100000000 ] - [ 0.0002815600000000, -0.0001122600000000, -0.0002656100000000 ] - [ 0.0311058300000000, -0.0393753500000000, -0.0071202500000000 ] - [ -0.0001635400000000, 0.0002081200000000, 0.0001584000000000 ] - [ -0.0009914700000000, 0.0004301000000000, -0.0000618000000000 ] - [ -0.0000049500000000, 0.0000801600000000, 0.0010789700000000 ] - [ 0.0002305400000000, 0.0000281400000000, -0.0002308000000000 ] - [ -0.0001553800000000, 0.0002292900000000, 0.0000184800000000 ] - [ 0.0001420000000000, -0.0001878100000000, -0.0003354100000000 ] - [ 0.0000124700000000, -0.0000803500000000, -0.0001845800000000 ] - [ -0.0000971700000000, 0.0000504200000000, 0.0002815000000000 ] - [ 0.0000151900000000, 0.0000177400000000, -0.0001770500000000 ] - [ 0.0000341600000000, -0.0000784500000000, -0.0006191500000000 ] - [ -0.0002487800000000, -0.0006659100000000, 0.0003631000000000 ] - [ 0.0001421600000000, -0.0000224000000000, -0.0000141100000000 ] - [ 0.0009668000000000, -0.0004835800000000, 0.0002576800000000 ] - [ -0.0006114600000000, -0.0010208500000000, 0.0012938500000000 ] - [ -0.0000682500000000, -0.0001545800000000, -0.0000104300000000 ] - [ 0.0001135600000000, 0.0001381400000000, -0.0002610700000000 ] - [ 0.0006033100000000, -0.0001215000000000, 0.0000941600000000 ] - [ -0.0001502300000000, -0.0000299200000000, 0.0000437700000000 ] - [ 0.0012664100000000, 0.0007023400000000, -0.0002162200000000 ] - [ -0.0003176400000000, 0.0003381600000000, 0.0013507000000000 ] - [ 0.0009871100000000, 0.0004864300000000, -0.0010139500000000 ] - [ 0.0038743500000000, 0.0027103900000000, -0.0035403000000000 ] - [ 0.0001374300000000, -0.0002379100000000, -0.0001869100000000 ] - [ 0.0000701600000000, 0.0001851500000000, -0.0003557100000000 ] - [ -0.0019246500000000, 0.0006868600000000, -0.0001428800000000 ] - [ 0.0001374400000000, -0.0002957500000000, -0.0003273200000000 ] - [ 0.0001650000000000, 0.0009376000000000, 0.0006095100000000 ] - [ -0.0001001100000000, -0.0000160000000000, 0.0000050500000000 ] - [ 0.0007679300000000, -0.0001826600000000, 0.0011626900000000 ] - [ 0.0000325800000000, 0.0000412700000000, 0.0002954900000000 ] - [ 0.0000307600000000, -0.0000363500000000, -0.0000072000000000 ] - [ -0.0000001000000000, -0.0000495200000000, -0.0000062700000000 ] - [ -0.0002676800000000, -0.0000045300000000, -0.0002102400000000 ] - [ -0.0002906300000000, -0.0005090400000000, 0.0004429500000000 ] - [ 0.0001373200000000, 0.0000361000000000, 0.0000270500000000 ] - [ -0.0008033500000000, -0.0007184700000000, 0.0000584800000000 ] - [ -0.0110544700000000, -0.0087526800000000, -0.0085781800000000 ] - [ 0.0007206100000000, -0.0008371600000000, 0.0002046900000000 ] - [ -0.0001033700000000, -0.0005391300000000, -0.0007523100000000 ] - [ 0.0001823000000000, -0.0001145200000000, 0.0001293500000000 ] - [ -0.0000422700000000, 0.0000034400000000, 0.0000118600000000 ] - [ -0.0002161900000000, 0.0000028200000000, 0.0001338200000000 ] - [ 0.0012611400000000, -0.0046548800000000, -0.0016431900000000 ] - [ 0.0000305500000000, -0.0000153600000000, 0.0000185800000000 ] - [ -0.0002170000000000, 0.0001585100000000, 0.0001768700000000 ] - [ 0.0001675500000000, 0.0001776600000000, 0.0001349500000000 ] - [ 0.0004790100000000, 0.0000490000000000, 0.0004359100000000 ] - [ 0.0000601600000000, 0.0000158500000000, -0.0003200600000000 ] - [ -0.0001853600000000, 0.0002259100000000, -0.0000460600000000 ] - [ 0.0029070800000000, 0.0002744800000000, 0.0011229500000000 ] - [ -0.0000354000000000, 0.0000338700000000, -0.0004063700000000 ] - [ 0.0000552400000000, -0.0001791400000000, 0.0000158900000000 ] - [ -0.0000165000000000, -0.0000586900000000, -0.0005157700000000 ] - [ 0.0001209700000000, -0.0000922000000000, 0.0001100500000000 ] - [ 0.0000012300000000, 0.0000001800000000, 0.0000245200000000 ] - [ -0.0003346600000000, 0.0003507600000000, -0.0006659800000000 ]- atom: 112 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006052700000000, 0.0000433800000000, 0.0006711300000000 ] - [ 0.0004294600000000, -0.0011782400000000, 0.0004502500000000 ] - [ 0.0002596900000000, -0.0007499000000000, -0.0011179400000000 ] - [ 0.0001347900000000, 0.0001588200000000, 0.0003228100000000 ] - [ -0.0001406500000000, 0.0002216900000000, -0.0003110400000000 ] - [ -0.0001562800000000, -0.0001718300000000, -0.0000674000000000 ] - [ 0.0002531400000000, -0.0000402000000000, -0.0000958600000000 ] - [ -0.0001225600000000, -0.0002634100000000, -0.0002764200000000 ] - [ -0.0002641600000000, 0.0002986000000000, 0.0000775400000000 ] - [ -0.0000657800000000, 0.0001959200000000, -0.0000592100000000 ] - [ -0.0002445400000000, 0.0018480400000000, 0.0004456700000000 ] - [ -0.0000419400000000, -0.0001896000000000, -0.0001650300000000 ] - [ -0.0000547100000000, -0.0000941000000000, -0.0002534900000000 ] - [ -0.0001167500000000, -0.0001121900000000, 0.0000476900000000 ] - [ 0.0002398800000000, -0.0000478800000000, -0.0001970200000000 ] - [ 0.0026927700000000, -0.0027695800000000, -0.0004112000000000 ] - [ -0.0002950000000000, -0.0006826400000000, 0.0003987300000000 ] - [ -0.0031519000000000, -0.0025623300000000, 0.0007072700000000 ] - [ 0.0007875900000000, -0.0000332800000000, 0.0004038500000000 ] - [ -0.0002411600000000, 0.0004620000000000, -0.0005590900000000 ] - [ 0.0002055400000000, -0.0000013300000000, -0.0000373200000000 ] - [ 0.0009121000000000, 0.0001386900000000, 0.0033781700000000 ] - [ -0.0002638300000000, 0.0007157300000000, -0.0007940200000000 ] - [ 0.0003002200000000, -0.0003680200000000, 0.0000667100000000 ] - [ 0.0001408100000000, 0.0004778300000000, 0.0003226800000000 ] - [ -0.0001827100000000, -0.0003205400000000, -0.0008400600000000 ] - [ 0.0000331100000000, -0.0001422500000000, -0.0002437900000000 ] - [ -0.0001313000000000, -0.0001256600000000, 0.0003574500000000 ] - [ 0.0004816700000000, 0.0002355800000000, 0.0001005900000000 ] - [ 0.0000427700000000, 0.0000462600000000, 0.0001785500000000 ] - [ 0.0003678700000000, 0.0000369900000000, -0.0000461300000000 ] - [ 0.0002845400000000, -0.0000230100000000, -0.0002802300000000 ] - [ 0.0001812900000000, -0.0000250700000000, 0.0003814800000000 ] - [ 0.0000839400000000, -0.0000444400000000, -0.0000599400000000 ] - [ 0.0001552700000000, 0.0000733800000000, -0.0001850900000000 ] - [ -0.0057046400000000, 0.0005729100000000, -0.0005043700000000 ] - [ -0.0002506200000000, 0.0003241000000000, -0.0000620200000000 ] - [ -0.0000872200000000, 0.0002259100000000, -0.0001890100000000 ] - [ -0.0001299500000000, -0.0003230100000000, -0.0000386600000000 ] - [ 0.0000728200000000, -0.0000668300000000, -0.0000623100000000 ] - [ -0.0000455600000000, -0.0000147200000000, -0.0004050700000000 ] - [ 0.0016205600000000, 0.0000139300000000, 0.0000153500000000 ] - [ 0.0000011500000000, -0.0001282800000000, 0.0000709800000000 ] - [ -0.0001004500000000, 0.0001891900000000, -0.0000623600000000 ] - [ -0.0003809800000000, -0.0008093100000000, -0.0003020900000000 ] - [ -0.0012904000000000, 0.0006601300000000, 0.0006806300000000 ] - [ -0.0000889700000000, 0.0002012300000000, -0.0000719500000000 ] - [ -0.0010382800000000, 0.0005206100000000, 0.0000286200000000 ] - [ -0.0000761300000000, 0.0000608600000000, 0.0000873100000000 ] - [ 0.0000113000000000, -0.0000102500000000, -0.0000964500000000 ] - [ 0.0000369800000000, -0.0000262800000000, 0.0001213500000000 ] - [ -0.0005517200000000, 0.0002082800000000, 0.0000991400000000 ] - [ 0.0028506000000000, 0.0024032900000000, -0.0001537600000000 ] - [ -0.0001096800000000, 0.0001409600000000, -0.0001638400000000 ] - [ 0.0000966800000000, -0.0004404800000000, 0.0001268600000000 ] - [ 0.0009188500000000, -0.0008881000000000, -0.0005499200000000 ] - [ -0.0001265600000000, -0.0002146600000000, -0.0000651600000000 ] - [ 0.0001027500000000, 0.0002922400000000, 0.0006226600000000 ] - [ 0.0008202500000000, 0.0000951100000000, 0.0005862800000000 ] - [ -0.0024719300000000, -0.0002234700000000, -0.0007075000000000 ] - [ 0.0006161200000000, -0.0000194700000000, -0.0004331600000000 ] - [ -0.0001854600000000, -0.0001509900000000, -0.0002108200000000 ] - [ 0.0000971100000000, 0.0000641500000000, 0.0000140100000000 ] - [ -0.0004944100000000, -0.0000207200000000, 0.0049348800000000 ] - [ -0.1448670400000000, 0.1015251000000000, 0.0425884900000000 ] - [ 0.0000683200000000, 0.0000617200000000, -0.0002262300000000 ] - [ -0.0013488000000000, 0.0022047600000000, 0.0005261600000000 ] - [ 0.0006238800000000, 0.0001162600000000, -0.0002686700000000 ] - [ 0.0037554100000000, 0.0043470400000000, -0.0028872300000000 ] - [ 0.0001753000000000, -0.0004311200000000, 0.0001645200000000 ] - [ 0.0000085000000000, -0.0000662900000000, -0.0003327200000000 ] - [ 0.0002151000000000, 0.0002129500000000, -0.0005499200000000 ] - [ -0.0002794500000000, 0.0000210200000000, -0.0004531200000000 ] - [ -0.0001454200000000, -0.0000315600000000, -0.0001299000000000 ] - [ -0.0000773600000000, 0.0000490400000000, -0.0000350000000000 ] - [ 0.0000626600000000, -0.0002182500000000, -0.0002058400000000 ] - [ -0.0007679600000000, -0.0005215200000000, 0.0005194000000000 ] - [ 0.0016024600000000, 0.0000424900000000, -0.0020068000000000 ] - [ -0.0004289600000000, -0.0000068800000000, 0.0000079800000000 ] - [ 0.0004114900000000, -0.0010526100000000, 0.0002822600000000 ] - [ -0.0000622400000000, 0.0001899700000000, -0.0007673100000000 ] - [ -0.0000437600000000, 0.0001188200000000, 0.0002831300000000 ] - [ -0.0001577400000000, -0.0021862200000000, 0.0019691500000000 ] - [ 0.0027666500000000, 0.0000161600000000, 0.0006497300000000 ] - [ -0.0001538600000000, -0.0011597400000000, 0.0003510700000000 ] - [ -0.0018258100000000, -0.0011642000000000, -0.0014554700000000 ] - [ -0.0001681100000000, 0.0009561900000000, 0.0004219500000000 ] - [ -0.0004212600000000, 0.0011527400000000, -0.0002495300000000 ] - [ 0.0167300900000000, -0.0103399700000000, -0.0000767300000000 ] - [ 0.0007014100000000, -0.0000459500000000, 0.0002236800000000 ] - [ 0.0000689400000000, -0.0001121500000000, 0.0009063000000000 ] - [ 0.0000684300000000, 0.0000842800000000, -0.0001759300000000 ] - [ -0.0001268000000000, 0.0000803300000000, 0.0000114900000000 ] - [ -0.0002039400000000, -0.0000721200000000, -0.0000123800000000 ] - [ 0.0001419600000000, 0.0001192600000000, -0.0001889300000000 ] - [ 0.0000145300000000, 0.0012066600000000, -0.0013305700000000 ] - [ 0.0000690300000000, -0.0000063400000000, 0.0003728000000000 ] - [ -0.0002033200000000, 0.0003396600000000, 0.0001822900000000 ] - [ 0.0004653500000000, 0.0001455700000000, 0.0004702300000000 ] - [ -0.0028079400000000, -0.0007742700000000, -0.0005842700000000 ] - [ 0.0001115900000000, -0.0001579200000000, -0.0003119600000000 ] - [ -0.0013895800000000, -0.0001575200000000, 0.0015798700000000 ] - [ -0.0002102600000000, 0.0000048900000000, -0.0002112900000000 ] - [ 0.0005799300000000, 0.0000881500000000, -0.0005526800000000 ] - [ 0.0002237400000000, 0.0003436100000000, -0.0002382500000000 ] - [ 0.0001494500000000, 0.0001932500000000, -0.0000481600000000 ] - [ -0.0003881900000000, 0.0001028300000000, 0.0007849000000000 ] - [ -0.0000620800000000, 0.0001315700000000, 0.0000285100000000 ] - [ -0.0003586700000000, -0.0000046300000000, -0.0000486300000000 ] - [ 0.0001884800000000, 0.0001685900000000, -0.0002904500000000 ] - [ 0.0000005300000000, 0.0000452900000000, 0.0001651800000000 ] - [ 0.1617699200000000, -0.1419945700000000, -0.0590496900000000 ] - [ -0.0002689700000000, 0.0018185700000000, -0.0036249800000000 ] - [ 0.0000194400000000, -0.0000120500000000, 0.0000794400000000 ] - [ -0.0007188700000000, 0.0008593800000000, 0.0007627500000000 ] - [ -0.0005667000000000, -0.0008188600000000, 0.0023494600000000 ] - [ -0.0004131400000000, -0.0000517700000000, -0.0002962200000000 ] - [ 0.0001046100000000, 0.0011626300000000, -0.0004218600000000 ] - [ -0.0000548600000000, -0.0000227500000000, -0.0000967700000000 ] - [ 0.0000618400000000, -0.0001658400000000, -0.0001977000000000 ] - [ -0.0002527200000000, 0.0000225000000000, -0.0001060300000000 ] - [ 0.0001480400000000, 0.0002583800000000, -0.0001194500000000 ] - [ 0.0003077200000000, 0.0000552700000000, -0.0001933400000000 ] - [ -0.0008476500000000, -0.0008328000000000, 0.0007980300000000 ] - [ -0.0000315000000000, 0.0001465100000000, -0.0003989900000000 ] - [ 0.0004042700000000, -0.0004095600000000, -0.0000734300000000 ] - [ -0.0001141100000000, -0.0002064100000000, 0.0000178000000000 ] - [ -0.0000877200000000, -0.0000254600000000, -0.0002770600000000 ] - [ 0.0005043500000000, -0.0003416900000000, -0.0007031100000000 ] - [ -0.0021922800000000, 0.0006826500000000, -0.0001500900000000 ] - [ 0.0000657000000000, -0.0001897500000000, -0.0000266800000000 ] - [ -0.0000088900000000, -0.0000308900000000, -0.0002343100000000 ] - [ -0.0304888100000000, 0.0381636000000000, 0.0076250200000000 ] - [ -0.0003879700000000, 0.0007564000000000, 0.0006478400000000 ] - [ 0.0008609100000000, -0.0001902800000000, -0.0003205600000000 ] - [ 0.0000061000000000, -0.0000822600000000, -0.0000178300000000 ] - [ 0.0000434900000000, -0.0000222100000000, -0.0001385300000000 ] - [ 0.0000690600000000, -0.0000747100000000, 0.0002958800000000 ] - [ -0.0004035300000000, 0.0000317000000000, -0.0001613500000000 ] - [ 0.0000873100000000, -0.0001089400000000, -0.0001510500000000 ] - [ 0.0002788600000000, -0.0000486100000000, 0.0000308600000000 ] - [ -0.0000134100000000, -0.0000147900000000, 0.0001457600000000 ] - [ -0.0000326700000000, 0.0000822800000000, -0.0002548800000000 ] - [ -0.0003034200000000, -0.0002885800000000, 0.0004413700000000 ] - [ 0.0001048400000000, 0.0000219900000000, 0.0000197400000000 ] - [ -0.0005480600000000, 0.0003100300000000, 0.0002915100000000 ] - [ 0.0005413700000000, 0.0004023900000000, -0.0009246400000000 ] - [ -0.0000535400000000, -0.0000566900000000, 0.0000158200000000 ] - [ -0.0000118400000000, 0.0000380500000000, -0.0000736400000000 ] - [ -0.0006670100000000, 0.0000209200000000, -0.0006081100000000 ] - [ 0.0003315600000000, 0.0000283200000000, -0.0002308500000000 ] - [ -0.0010431000000000, -0.0003055000000000, -0.0001242000000000 ] - [ 0.0003147100000000, -0.0003418600000000, 0.0002761800000000 ] - [ -0.0001164200000000, -0.0019167700000000, 0.0000456800000000 ] - [ -0.0031126400000000, -0.0012617300000000, 0.0025987200000000 ] - [ 0.0001300700000000, -0.0002113800000000, -0.0000592400000000 ] - [ 0.0000691100000000, 0.0001223100000000, -0.0002933000000000 ] - [ 0.0002617800000000, -0.0006483200000000, -0.0008308400000000 ] - [ -0.0001435100000000, -0.0000070300000000, -0.0001697500000000 ] - [ 0.0006174100000000, -0.0024012300000000, -0.0015785100000000 ] - [ 0.0000123200000000, -0.0001261900000000, 0.0003135600000000 ] - [ -0.0001795700000000, -0.0000572700000000, -0.0007922500000000 ] - [ -0.0001155300000000, 0.0000938600000000, 0.0000223700000000 ] - [ -0.0000756400000000, -0.0000409900000000, 0.0004591000000000 ] - [ -0.0000029900000000, 0.0000445600000000, -0.0000727800000000 ] - [ -0.0002750900000000, -0.0000117000000000, -0.0000383900000000 ] - [ 0.0002346100000000, 0.0009659200000000, 0.0001037300000000 ] - [ 0.0000205300000000, -0.0000406800000000, 0.0002929800000000 ] - [ 0.0003087700000000, 0.0003491200000000, 0.0003225900000000 ] - [ 0.0107942400000000, 0.0089207000000000, 0.0080749200000000 ] - [ -0.0007752100000000, 0.0003901700000000, 0.0003387100000000 ] - [ 0.0001481700000000, 0.0004538400000000, 0.0007061700000000 ] - [ -0.0002990100000000, -0.0000844000000000, 0.0000680500000000 ] - [ 0.0000392600000000, -0.0000210000000000, 0.0001457600000000 ] - [ -0.0002415500000000, 0.0000026300000000, 0.0002034400000000 ] - [ -0.0012491000000000, 0.0046413600000000, 0.0016950500000000 ] - [ -0.0000332900000000, 0.0000103500000000, 0.0001380500000000 ] - [ 0.0001748700000000, -0.0001456600000000, -0.0001498500000000 ] - [ 0.0000656500000000, 0.0002266700000000, 0.0002009700000000 ] - [ -0.0004374300000000, 0.0000250200000000, -0.0004878700000000 ] - [ -0.0000433500000000, 0.0000140700000000, -0.0003834300000000 ] - [ 0.0000910700000000, -0.0002321800000000, -0.0000049500000000 ] - [ -0.0028712300000000, -0.0002260600000000, -0.0010843000000000 ] - [ 0.0000208400000000, -0.0000264100000000, -0.0003020600000000 ] - [ 0.0001791400000000, -0.0002148000000000, 0.0003232900000000 ] - [ 0.0000308300000000, 0.0000491700000000, -0.0001918100000000 ] - [ 0.0001181000000000, 0.0000943200000000, 0.0000859600000000 ] - [ -0.0000142800000000, -0.0000121000000000, 0.0001332900000000 ] - [ 0.0002204300000000, -0.0001456600000000, 0.0008738700000000 ]- atom: 112 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001144700000000, 0.0002812800000000, 0.0003493100000000 ] - [ 0.0001425400000000, -0.0002468800000000, 0.0012259900000000 ] - [ 0.0012373200000000, -0.0021431000000000, -0.0021397800000000 ] - [ -0.0000545300000000, -0.0001927800000000, 0.0009036500000000 ] - [ -0.0001301700000000, 0.0002254600000000, -0.0006686900000000 ] - [ -0.0000765600000000, -0.0000935900000000, -0.0005257500000000 ] - [ 0.0002565100000000, -0.0000207500000000, -0.0003721900000000 ] - [ -0.0001488100000000, -0.0002555100000000, -0.0005777400000000 ] - [ -0.0002171000000000, 0.0003760400000000, -0.0006397600000000 ] - [ -0.0001118200000000, 0.0002015800000000, -0.0003416900000000 ] - [ -0.0001669600000000, 0.0002670100000000, 0.0012808000000000 ] - [ -0.0000503600000000, -0.0001938600000000, -0.0004812800000000 ] - [ -0.0001715300000000, -0.0003099700000000, -0.0005711100000000 ] - [ -0.0001557100000000, -0.0003689300000000, -0.0004198800000000 ] - [ 0.0001930700000000, -0.0000533200000000, -0.0004812800000000 ] - [ 0.0004219300000000, -0.0002408900000000, 0.0009427800000000 ] - [ -0.0000023500000000, -0.0004858500000000, 0.0009427800000000 ] - [ -0.0004313700000000, -0.0018695600000000, 0.0033136700000000 ] - [ 0.0001520200000000, 0.0002688600000000, 0.0003641100000000 ] - [ 0.0000414600000000, 0.0004501900000000, -0.0006220500000000 ] - [ 0.0001193300000000, 0.0000195100000000, -0.0005257500000000 ] - [ -0.0010952700000000, 0.0009267200000000, 0.0003796600000000 ] - [ 0.0014234600000000, 0.0019211400000000, -0.0017096200000000 ] - [ 0.0002553600000000, 0.0000266700000000, 0.0002090100000000 ] - [ 0.0001561100000000, 0.0000268200000000, 0.0006094100000000 ] - [ 0.0001719100000000, -0.0002994800000000, -0.0009341600000000 ] - [ 0.0000878100000000, -0.0001521000000000, -0.0004082500000000 ] - [ -0.0000588500000000, 0.0000235100000000, -0.0000478000000000 ] - [ 0.0002998700000000, 0.0001567100000000, 0.0003389200000000 ] - [ 0.0000057600000000, 0.0000486900000000, -0.0000123700000000 ] - [ 0.0003799500000000, 0.0000059100000000, -0.0003293600000000 ] - [ 0.0002956800000000, 0.0000011200000000, -0.0005777400000000 ] - [ 0.0000090600000000, 0.0000627300000000, -0.0000478000000000 ] - [ 0.0003973600000000, -0.0000496200000000, -0.0004198800000000 ] - [ 0.0001625600000000, 0.0000558700000000, -0.0005776200000000 ] - [ 0.0018347700000000, -0.0005612000000000, 0.0033136700000000 ] - [ -0.0001431400000000, 0.0002479200000000, -0.0005336400000000 ] - [ -0.0000455100000000, 0.0001933400000000, -0.0004866300000000 ] - [ -0.0001950900000000, -0.0003260900000000, -0.0003293600000000 ] - [ -0.0000465200000000, -0.0001018900000000, -0.0002055800000000 ] - [ 0.0001734000000000, -0.0002986200000000, -0.0009341600000000 ] - [ 0.0001942200000000, -0.0000491600000000, 0.0009036500000000 ] - [ -0.0002010400000000, 0.0001005400000000, -0.0002780700000000 ] - [ -0.0001186600000000, 0.0001976300000000, -0.0003416900000000 ] - [ 0.0000713100000000, -0.0010547600000000, 0.0001022000000000 ] - [ -0.0023754900000000, -0.0002721900000000, -0.0017096200000000 ] - [ -0.0004106100000000, 0.0001891900000000, -0.0006220500000000 ] - [ -0.0002549300000000, 0.0014118900000000, 0.0003796600000000 ] - [ -0.0003088500000000, 0.0000027700000000, 0.0003641100000000 ] - [ 0.0000134500000000, 0.0002243800000000, -0.0002780700000000 ] - [ -0.0000450500000000, 0.0000193600000000, -0.0000123700000000 ] - [ -0.0001863600000000, 0.0002397700000000, 0.0003493100000000 ] - [ -0.0001477600000000, 0.0002780900000000, 0.0012808000000000 ] - [ -0.0001446800000000, 0.0001360800000000, -0.0004866300000000 ] - [ -0.0001507700000000, -0.0002078100000000, 0.0002090100000000 ] - [ 0.0008777900000000, -0.0005891300000000, 0.0001022000000000 ] - [ -0.0001102800000000, -0.0002325200000000, -0.0003721900000000 ] - [ -0.0002856500000000, -0.0001813400000000, 0.0003389200000000 ] - [ -0.0001012900000000, -0.0001217900000000, 0.0006094100000000 ] - [ -0.0003059200000000, 0.0005298700000000, 0.0057632500000000 ] - [ 0.0003542100000000, -0.0000064400000000, -0.0005711100000000 ] - [ -0.0001296700000000, -0.0001128500000000, -0.0005776200000000 ] - [ 0.0001115000000000, -0.0000106600000000, -0.0002055800000000 ] - [ -0.0012310900000000, 0.0021323100000000, 0.0000245300000000 ] - [ -0.0432910500000000, 0.0749822900000000, 0.1179947500000000 ] - [ 0.0001708600000000, 0.0000530000000000, -0.0010845600000000 ] - [ -0.0042392200000000, -0.0008039400000000, -0.0015728800000000 ] - [ 0.0003247800000000, 0.0001123400000000, -0.0003447200000000 ] - [ 0.0028158400000000, 0.0032693100000000, -0.0015728800000000 ] - [ 0.0003305800000000, -0.0005725800000000, -0.0005965500000000 ] - [ -0.0000718400000000, 0.0001244400000000, -0.0012055800000000 ] - [ 0.0001658000000000, 0.0002246100000000, -0.0013114600000000 ] - [ -0.0002774200000000, -0.0000312800000000, -0.0013114600000000 ] - [ -0.0002596800000000, -0.0002250900000000, -0.0003447200000000 ] - [ -0.0001313300000000, -0.0001214600000000, -0.0010845600000000 ] - [ 0.0001090800000000, -0.0001889300000000, -0.0013724500000000 ] - [ -0.0013333800000000, -0.0021751900000000, 0.0013748000000000 ] - [ 0.0025504600000000, 0.0000671500000000, 0.0013748000000000 ] - [ -0.0000768800000000, 0.0001331500000000, -0.0043814400000000 ] - [ -0.0000794000000000, -0.0005626700000000, 0.0018235700000000 ] - [ 0.0002515000000000, 0.0003862700000000, -0.0011997100000000 ] - [ -0.0004602600000000, -0.0000246700000000, -0.0011997100000000 ] - [ 0.0001958500000000, -0.0003392200000000, 0.0019332600000000 ] - [ 0.0005269900000000, -0.0002125800000000, 0.0018235700000000 ] - [ -0.0004583700000000, -0.0006426900000000, -0.0008180700000000 ] - [ 0.0007857700000000, 0.0000756100000000, -0.0008180700000000 ] - [ -0.0003759400000000, 0.0006511400000000, -0.0002071000000000 ] - [ -0.0002359000000000, 0.0004085900000000, -0.0002075300000000 ] - [ 0.0005371000000000, -0.0072225200000000, -0.0161325500000000 ] - [ 0.0009272600000000, 0.0003441900000000, 0.0001175700000000 ] - [ -0.0001456000000000, -0.0002158200000000, 0.0010397900000000 ] - [ -0.0000579400000000, -0.0000092700000000, 0.0001243000000000 ] - [ 0.0000478200000000, 0.0001290100000000, 0.0001216400000000 ] - [ -0.0001356400000000, 0.0000230900000000, 0.0001216400000000 ] - [ 0.0001362600000000, 0.0002464900000000, -0.0000610200000000 ] - [ -0.0001075400000000, 0.0001862600000000, -0.0014944600000000 ] - [ 0.0000857300000000, 0.0000424900000000, 0.0009351100000000 ] - [ -0.0002298200000000, 0.0008575800000000, 0.0001083500000000 ] - [ 0.0004876600000000, 0.0000913400000000, 0.0006794500000000 ] - [ -0.0022363600000000, -0.0006327200000000, -0.0008821200000000 ] - [ 0.0000933300000000, 0.0000297500000000, 0.0001003000000000 ] - [ -0.0005337500000000, -0.0000909300000000, -0.0009079600000000 ] - [ -0.0001342100000000, 0.0000083500000000, 0.0000362300000000 ] - [ 0.0016661300000000, 0.0016203900000000, -0.0008821200000000 ] - [ -0.0000005300000000, -0.0000363500000000, -0.0003005700000000 ] - [ 0.0001059300000000, 0.0001368900000000, 0.0002743600000000 ] - [ -0.0017941500000000, 0.0000657400000000, 0.0003405100000000 ] - [ -0.0000543900000000, 0.0000942100000000, 0.0003587600000000 ] - [ -0.0001366800000000, -0.0000138300000000, -0.0000687700000000 ] - [ -0.0004001500000000, -0.0007326100000000, 0.0009649500000000 ] - [ -0.0000058600000000, 0.0000101500000000, 0.0009772800000000 ] - [ 0.0593801100000000, -0.1028493600000000, -0.1237219300000000 ] - [ 0.0007972000000000, -0.0013807900000000, -0.0001359400000000 ] - [ 0.0000180200000000, 0.0000135100000000, 0.0007469100000000 ] - [ -0.0006277800000000, 0.0006278200000000, 0.0001083500000000 ] - [ -0.0004620900000000, -0.0005764200000000, 0.0015828900000000 ] - [ -0.0003091800000000, 0.0001026300000000, -0.0007849400000000 ] - [ 0.0000317400000000, -0.0000177200000000, -0.0003005700000000 ] - [ 0.0000289200000000, 0.0000004500000000, 0.0001954900000000 ] - [ -0.0000724300000000, -0.0000659500000000, 0.0001003000000000 ] - [ -0.0001149800000000, 0.0000192200000000, 0.0002698400000000 ] - [ 0.0000408400000000, 0.0001091900000000, 0.0002698400000000 ] - [ 0.0008345300000000, -0.0000197700000000, 0.0009649500000000 ] - [ -0.0007617100000000, -0.0006309400000000, 0.0001175700000000 ] - [ 0.0000846500000000, 0.0000927900000000, -0.0013642000000000 ] - [ -0.0000674000000000, 0.0001167400000000, 0.0010682300000000 ] - [ 0.0001237200000000, 0.0001042900000000, 0.0004837500000000 ] - [ 0.0000370000000000, 0.0000455500000000, 0.0001243000000000 ] - [ 0.0007574600000000, -0.0013119500000000, 0.0005774900000000 ] - [ -0.0008145700000000, 0.0002684400000000, -0.0005040700000000 ] - [ 0.0000416200000000, -0.0001228300000000, 0.0002497100000000 ] - [ 0.0000523000000000, 0.0000190600000000, -0.0000853400000000 ] - [ 0.0059863400000000, -0.0040764000000000, -0.0161325500000000 ] - [ -0.0005658600000000, 0.0009800900000000, 0.0009674700000000 ] - [ 0.0005406400000000, -0.0009364100000000, 0.0034215800000000 ] - [ 0.0002597000000000, 0.0000181800000000, 0.0010397900000000 ] - [ 0.0000803200000000, 0.0001114500000000, -0.0000687700000000 ] - [ 0.0000103000000000, -0.0001470700000000, 0.0004825400000000 ] - [ -0.0002816000000000, 0.0000052400000000, -0.0000610200000000 ] - [ 0.0000076900000000, -0.0000133200000000, 0.0002409800000000 ] - [ 0.0003276400000000, 0.0000123300000000, 0.0005274000000000 ] - [ -0.0000207100000000, -0.0000088500000000, 0.0007469100000000 ] - [ -0.0000661500000000, 0.0001145700000000, 0.0003136000000000 ] - [ -0.0003229300000000, -0.0003766600000000, 0.0006794500000000 ] - [ 0.0002528400000000, -0.0000106600000000, 0.0003297700000000 ] - [ 0.0001247600000000, -0.0000418000000000, -0.0002591300000000 ] - [ -0.0001767500000000, -0.0010827500000000, 0.0003274100000000 ] - [ -0.0001171900000000, -0.0002243000000000, 0.0003297700000000 ] - [ -0.0000148500000000, -0.0000248300000000, 0.0001954900000000 ] - [ -0.0001226800000000, -0.0000269200000000, -0.0013642000000000 ] - [ 0.0003456200000000, 0.0004167700000000, -0.0009079600000000 ] - [ 0.0000657100000000, 0.0003190800000000, -0.0007849400000000 ] - [ 0.0007302400000000, 0.0001119700000000, 0.0015828900000000 ] - [ -0.0000874400000000, -0.0016895200000000, -0.0005584200000000 ] - [ -0.0026760400000000, -0.0006890700000000, 0.0009704700000000 ] - [ 0.0000855600000000, -0.0000974600000000, 0.0002497100000000 ] - [ 0.0000598800000000, 0.0001204000000000, 0.0000362300000000 ] - [ 0.0019347700000000, 0.0019729800000000, 0.0009704700000000 ] - [ -0.0000426600000000, -0.0000357600000000, -0.0000853400000000 ] - [ 0.0015068900000000, -0.0007690300000000, -0.0005584200000000 ] - [ -0.0001744900000000, -0.0002775800000000, 0.0005274000000000 ] - [ 0.0010260700000000, -0.0003883100000000, 0.0003274100000000 ] - [ 0.0001222100000000, -0.0000824600000000, 0.0004825400000000 ] - [ -0.0000796600000000, -0.0000530000000000, 0.0009351100000000 ] - [ 0.0000306300000000, -0.0000530500000000, 0.0004843100000000 ] - [ -0.0001715200000000, -0.0000232900000000, 0.0002743600000000 ] - [ 0.0001748100000000, 0.0008396500000000, -0.0005040700000000 ] - [ -0.0001521700000000, -0.0000550000000000, 0.0004837500000000 ] - [ 0.0008401400000000, 0.0015866500000000, 0.0003405100000000 ] - [ -0.0213929900000000, 0.0370537500000000, 0.0250829600000000 ] - [ -0.0000261800000000, -0.0001289500000000, -0.0002591300000000 ] - [ -0.0004244800000000, 0.0007352200000000, 0.0007340200000000 ] - [ -0.0000321800000000, -0.0001041400000000, 0.0001698000000000 ] - [ 0.0000108000000000, -0.0000187000000000, 0.0005932800000000 ] - [ -0.0002380100000000, -0.0000011800000000, 0.0004519100000000 ] - [ -0.0018788300000000, 0.0032542300000000, -0.0004947400000000 ] - [ 0.0000003100000000, 0.0000051300000000, 0.0004137800000000 ] - [ 0.0001873000000000, 0.0000436700000000, -0.0005649500000000 ] - [ 0.0001200300000000, 0.0002055300000000, 0.0004519100000000 ] - [ 0.0001256000000000, -0.0000919800000000, -0.0000379800000000 ] - [ 0.0001094400000000, -0.0000137500000000, -0.0000300600000000 ] - [ 0.0000168500000000, -0.0001547600000000, -0.0000379800000000 ] - [ -0.0001314600000000, -0.0001403700000000, -0.0005649500000000 ] - [ -0.0000428100000000, -0.0001016500000000, -0.0000300600000000 ] - [ 0.0001091200000000, -0.0001889900000000, 0.0007898000000000 ] - [ -0.0000627500000000, 0.0001086900000000, 0.0001017000000000 ] - [ 0.0001062800000000, -0.0000242000000000, 0.0001698000000000 ] - [ -0.0000045900000000, 0.0000022900000000, 0.0004137800000000 ] - [ 0.0000436000000000, -0.0000755100000000, 0.0022151200000000 ]- atom: 112 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001641100000000, 0.0001395900000000, 0.0000783300000000 ] - [ -0.0002666500000000, 0.0004618500000000, -0.0008849400000000 ] - [ -0.0012998600000000, 0.0022514300000000, 0.0024188100000000 ] - [ 0.0000813000000000, -0.0000936500000000, -0.0006528400000000 ] - [ -0.0001239800000000, 0.0002147400000000, 0.0002248700000000 ] - [ -0.0001440200000000, -0.0002959700000000, 0.0005144200000000 ] - [ 0.0001917900000000, 0.0000228500000000, 0.0003623300000000 ] - [ -0.0001105500000000, -0.0001863900000000, 0.0001353000000000 ] - [ 0.0000792600000000, -0.0001372900000000, 0.0007550700000000 ] - [ -0.0001200600000000, 0.0001882000000000, 0.0003301500000000 ] - [ 0.0001722000000000, 0.0000201200000000, -0.0010338700000000 ] - [ -0.0000799400000000, -0.0002367000000000, 0.0002264300000000 ] - [ -0.0000156900000000, -0.0001110500000000, -0.0000175900000000 ] - [ 0.0001851500000000, 0.0002087500000000, 0.0009221300000000 ] - [ 0.0002449600000000, -0.0000491200000000, 0.0002264300000000 ] - [ -0.0005307300000000, 0.0000141800000000, -0.0006083800000000 ] - [ 0.0002530800000000, 0.0004667100000000, -0.0006083800000000 ] - [ 0.0006494400000000, 0.0019911100000000, -0.0030260400000000 ] - [ -0.0001803000000000, 0.0000240200000000, -0.0002498300000000 ] - [ -0.0002244400000000, -0.0000163700000000, 0.0000330200000000 ] - [ 0.0003283300000000, -0.0000232600000000, 0.0005144200000000 ] - [ 0.0013613200000000, -0.0007913900000000, -0.0002520700000000 ] - [ -0.0013772000000000, -0.0023547800000000, 0.0021377300000000 ] - [ -0.0001287100000000, -0.0000235900000000, 0.0000656200000000 ] - [ 0.0001199300000000, -0.0000235400000000, -0.0000213400000000 ] - [ -0.0004330200000000, -0.0000818700000000, 0.0003411700000000 ] - [ -0.0002027800000000, 0.0003512200000000, 0.0000752600000000 ] - [ -0.0000884600000000, -0.0000823000000000, 0.0005502500000000 ] - [ 0.0000435000000000, 0.0001022600000000, 0.0000883300000000 ] - [ 0.0000160100000000, 0.0001130400000000, 0.0005118000000000 ] - [ 0.0003722200000000, -0.0000117100000000, 0.0003675300000000 ] - [ 0.0002166900000000, 0.0000025400000000, 0.0001353000000000 ] - [ 0.0001155000000000, 0.0000354600000000, 0.0005502500000000 ] - [ -0.0002733600000000, -0.0000559700000000, 0.0009221300000000 ] - [ 0.0002790400000000, 0.0000452400000000, 0.0003228000000000 ] - [ -0.0020490700000000, 0.0004331200000000, -0.0030260400000000 ] - [ -0.0002308400000000, 0.0003998300000000, 0.0005722100000000 ] - [ -0.0000795100000000, 0.0002338100000000, 0.0002276700000000 ] - [ -0.0001759700000000, -0.0003282100000000, 0.0003675300000000 ] - [ -0.0000931900000000, -0.0001278700000000, 0.0003239200000000 ] - [ 0.0002874100000000, 0.0003340700000000, 0.0003411700000000 ] - [ 0.0000404500000000, -0.0001172400000000, -0.0006528400000000 ] - [ 0.0000823600000000, -0.0002934800000000, -0.0000567500000000 ] - [ -0.0001029500000000, 0.0001980700000000, 0.0003301500000000 ] - [ -0.0001036300000000, 0.0007490900000000, 0.0000034700000000 ] - [ 0.0027279000000000, 0.0000153000000000, 0.0021377300000000 ] - [ 0.0001264000000000, 0.0001861900000000, 0.0000330200000000 ] - [ 0.0000047000000000, -0.0015746300000000, -0.0002520700000000 ] - [ 0.0000693500000000, 0.0001681500000000, -0.0002498300000000 ] - [ 0.0002129800000000, -0.0002180600000000, -0.0000567500000000 ] - [ -0.0001059000000000, 0.0000426500000000, 0.0005118000000000 ] - [ -0.0002029500000000, -0.0000723300000000, 0.0000783300000000 ] - [ -0.0001035200000000, -0.0001390700000000, -0.0010338700000000 ] - [ -0.0001627300000000, 0.0001857600000000, 0.0002276700000000 ] - [ 0.0000847800000000, 0.0000996700000000, 0.0000656200000000 ] - [ -0.0005969200000000, 0.0004642900000000, 0.0000034700000000 ] - [ -0.0001156800000000, -0.0001546700000000, 0.0003623300000000 ] - [ -0.0001103000000000, 0.0000134600000000, 0.0000883300000000 ] - [ -0.0000395800000000, -0.0001156300000000, -0.0000213400000000 ] - [ 0.0000656900000000, -0.0001137800000000, -0.0046973200000000 ] - [ 0.0001040100000000, -0.0000419400000000, -0.0000175900000000 ] - [ -0.0001787000000000, -0.0002190300000000, 0.0003228000000000 ] - [ 0.0001573300000000, 0.0000167700000000, 0.0003239200000000 ] - [ 0.0012853400000000, -0.0022262800000000, 0.0005657600000000 ] - [ 0.0440400900000000, -0.0762796700000000, -0.1173502200000000 ] - [ -0.0001652700000000, -0.0000503100000000, 0.0012442300000000 ] - [ 0.0042000100000000, 0.0008028200000000, 0.0005811200000000 ] - [ -0.0000410700000000, 0.0003744800000000, 0.0002464400000000 ] - [ -0.0027952700000000, -0.0032359000000000, 0.0005811200000000 ] - [ -0.0003322300000000, 0.0005754400000000, 0.0014917400000000 ] - [ 0.0000709700000000, -0.0001229300000000, 0.0005297500000000 ] - [ 0.0000690200000000, 0.0001823000000000, 0.0008381900000000 ] - [ -0.0001923900000000, 0.0000313800000000, 0.0008381900000000 ] - [ -0.0003037800000000, 0.0002228100000000, 0.0002464400000000 ] - [ 0.0001262100000000, 0.0001179700000000, 0.0012442300000000 ] - [ 0.0001235300000000, -0.0002139600000000, 0.0008954000000000 ] - [ 0.0012296400000000, 0.0021823200000000, -0.0008031100000000 ] - [ -0.0025047700000000, 0.0000262600000000, -0.0008031100000000 ] - [ 0.0003576200000000, -0.0006194100000000, 0.0042492100000000 ] - [ 0.0002112600000000, 0.0005519700000000, -0.0015869200000000 ] - [ -0.0002447700000000, -0.0003833000000000, 0.0006025100000000 ] - [ 0.0004543300000000, 0.0000203300000000, 0.0006025100000000 ] - [ -0.0001890500000000, 0.0003274500000000, -0.0012051600000000 ] - [ -0.0005836500000000, 0.0000930300000000, -0.0015869200000000 ] - [ 0.0004598500000000, 0.0006371800000000, 0.0005809100000000 ] - [ -0.0007817400000000, -0.0000796600000000, 0.0005809100000000 ] - [ 0.0003736400000000, -0.0006471700000000, 0.0005407000000000 ] - [ 0.0003479100000000, -0.0006026100000000, 0.0004547200000000 ] - [ -0.0002027200000000, 0.0075978100000000, 0.0167341200000000 ] - [ -0.0002985200000000, -0.0003479800000000, 0.0003133800000000 ] - [ 0.0001464200000000, 0.0002157900000000, 0.0000314800000000 ] - [ 0.0002532100000000, 0.0002805300000000, -0.0007714400000000 ] - [ 0.0001025100000000, 0.0001396500000000, -0.0002144200000000 ] - [ -0.0001721900000000, -0.0000189500000000, -0.0002144200000000 ] - [ 0.0001295300000000, -0.0000980100000000, -0.0004354700000000 ] - [ 0.0001023900000000, -0.0001773500000000, 0.0006532000000000 ] - [ 0.0000002100000000, -0.0000449100000000, -0.0004766900000000 ] - [ -0.0002677000000000, -0.0004782200000000, 0.0002726100000000 ] - [ 0.0006213800000000, -0.0000890400000000, 0.0001275800000000 ] - [ 0.0005630200000000, 0.0005754800000000, -0.0000935200000000 ] - [ 0.0001057100000000, -0.0003017300000000, -0.0007481000000000 ] - [ 0.0004430800000000, -0.0000676500000000, 0.0007209500000000 ] - [ -0.0002049100000000, 0.0000263400000000, -0.0006857100000000 ] - [ -0.0007798900000000, -0.0001998500000000, -0.0000935200000000 ] - [ -0.0002361600000000, 0.0000401000000000, 0.0005460500000000 ] - [ 0.0001724800000000, 0.0003169200000000, -0.0005218600000000 ] - [ 0.0023741600000000, 0.0001781600000000, 0.0000391200000000 ] - [ -0.0000700200000000, 0.0001212700000000, -0.0003523300000000 ] - [ -0.0000024500000000, -0.0002174100000000, -0.0003107600000000 ] - [ 0.0003862500000000, 0.0010282300000000, -0.0014526400000000 ] - [ -0.0000355700000000, 0.0000616100000000, -0.0005195000000000 ] - [ -0.0601167500000000, 0.1041252600000000, 0.1230753700000000 ] - [ -0.0008883800000000, 0.0015387200000000, -0.0000675900000000 ] - [ -0.0000184500000000, -0.0000118100000000, -0.0007735500000000 ] - [ 0.0005480000000000, -0.0000072800000000, 0.0002726100000000 ] - [ 0.0004595600000000, 0.0005677000000000, 0.0000530100000000 ] - [ -0.0001438800000000, -0.0000981600000000, 0.0004447200000000 ] - [ 0.0000833500000000, 0.0002245700000000, 0.0005460500000000 ] - [ -0.0002387000000000, -0.0000048000000000, -0.0005302900000000 ] - [ 0.0002084500000000, -0.0002424100000000, -0.0007481000000000 ] - [ -0.0004081200000000, -0.0000098200000000, -0.0005167400000000 ] - [ 0.0002125600000000, 0.0003485300000000, -0.0005167400000000 ] - [ -0.0010836000000000, 0.0001796100000000, -0.0014526400000000 ] - [ 0.0004506200000000, 0.0000845400000000, 0.0003133800000000 ] - [ 0.0000419000000000, -0.0000877800000000, 0.0008583500000000 ] - [ 0.0002182400000000, -0.0003780100000000, -0.0011528100000000 ] - [ -0.0002024400000000, -0.0002508300000000, -0.0001664100000000 ] - [ -0.0003695500000000, -0.0000790200000000, -0.0007714400000000 ] - [ -0.0010718100000000, 0.0018564300000000, -0.0001513900000000 ] - [ 0.0004362400000000, 0.0000113000000000, 0.0010489700000000 ] - [ 0.0002152000000000, -0.0003454500000000, -0.0004972900000000 ] - [ 0.0002145000000000, -0.0001604000000000, -0.0004126400000000 ] - [ -0.0064785300000000, 0.0039744600000000, 0.0167341200000000 ] - [ 0.0000114800000000, -0.0000198900000000, -0.0001617300000000 ] - [ -0.0006694300000000, 0.0011595000000000, -0.0037645000000000 ] - [ -0.0002600900000000, -0.0000189100000000, 0.0000314800000000 ] - [ 0.0001895000000000, -0.0001065900000000, -0.0003107600000000 ] - [ -0.0000927400000000, 0.0002981300000000, -0.0001671300000000 ] - [ 0.0000201100000000, -0.0001611800000000, -0.0004354700000000 ] - [ 0.0000995500000000, -0.0001724200000000, -0.0005763500000000 ] - [ -0.0001531100000000, -0.0000082500000000, -0.0002129400000000 ] - [ 0.0000194500000000, 0.0000100700000000, -0.0007735500000000 ] - [ 0.0000654400000000, -0.0001133400000000, -0.0011929000000000 ] - [ -0.0002335800000000, -0.0005826500000000, 0.0001275800000000 ] - [ -0.0000038800000000, 0.0000103800000000, -0.0003235700000000 ] - [ 0.0002922300000000, -0.0001319400000000, 0.0008057200000000 ] - [ 0.0000957200000000, 0.0004585600000000, 0.0000492300000000 ] - [ -0.0000070400000000, 0.0000085500000000, -0.0003235700000000 ] - [ 0.0001235100000000, 0.0002043200000000, -0.0005302900000000 ] - [ 0.0000550700000000, -0.0000801700000000, 0.0008583500000000 ] - [ -0.0001629600000000, -0.0004175500000000, 0.0007209500000000 ] - [ 0.0001569500000000, 0.0000755200000000, 0.0004447200000000 ] - [ -0.0007214200000000, -0.0001141500000000, 0.0000530100000000 ] - [ 0.0009600100000000, 0.0002599000000000, -0.0004179400000000 ] - [ 0.0034380800000000, 0.0021373000000000, -0.0019297500000000 ] - [ 0.0001915700000000, -0.0003590900000000, -0.0004972900000000 ] - [ 0.0000796400000000, 0.0001906300000000, -0.0006857100000000 ] - [ -0.0035699900000000, -0.0019088200000000, -0.0019297500000000 ] - [ 0.0000316600000000, -0.0002659600000000, -0.0004126400000000 ] - [ -0.0007050900000000, -0.0007014500000000, -0.0004179400000000 ] - [ 0.0000837000000000, 0.0001284700000000, -0.0002129400000000 ] - [ -0.0004449900000000, 0.0001463800000000, 0.0000492300000000 ] - [ -0.0002118200000000, 0.0002293800000000, -0.0001671300000000 ] - [ 0.0000387900000000, -0.0000226400000000, -0.0004766900000000 ] - [ -0.0000288900000000, 0.0000500300000000, -0.0005685300000000 ] - [ -0.0003607000000000, 0.0000090900000000, -0.0005218600000000 ] - [ -0.0002279100000000, -0.0003721500000000, 0.0010489700000000 ] - [ 0.0003184400000000, 0.0000499100000000, -0.0001664100000000 ] - [ -0.0013413700000000, -0.0019670000000000, 0.0000391200000000 ] - [ 0.0217992500000000, -0.0377574000000000, -0.0264143500000000 ] - [ -0.0000318500000000, -0.0003190500000000, 0.0008057200000000 ] - [ 0.0004680300000000, -0.0008106500000000, -0.0007779500000000 ] - [ -0.0000873700000000, -0.0000995800000000, 0.0000291100000000 ] - [ -0.0000039900000000, 0.0000069100000000, -0.0004343000000000 ] - [ -0.0002245600000000, 0.0000042000000000, -0.0001150400000000 ] - [ 0.0018867600000000, -0.0032679700000000, 0.0005301700000000 ] - [ 0.0000067700000000, -0.0000045300000000, -0.0002563000000000 ] - [ -0.0002287900000000, -0.0000301900000000, 0.0005845000000000 ] - [ 0.0001086400000000, 0.0001965800000000, -0.0001150400000000 ] - [ -0.0000781200000000, 0.0001669300000000, -0.0000182900000000 ] - [ -0.0000995900000000, 0.0000363400000000, -0.0006754300000000 ] - [ -0.0001055000000000, 0.0001511200000000, -0.0000182900000000 ] - [ 0.0001405400000000, 0.0001830400000000, 0.0005845000000000 ] - [ 0.0000183300000000, 0.0001044100000000, -0.0006754300000000 ] - [ 0.0001200000000000, -0.0002078400000000, -0.0004531200000000 ] - [ 0.0000693000000000, -0.0001200300000000, -0.0008076900000000 ] - [ 0.0001299300000000, 0.0000258800000000, 0.0000291100000000 ] - [ 0.0000005400000000, -0.0000081200000000, -0.0002563000000000 ] - [ -0.0001643100000000, 0.0002846000000000, -0.0020236300000000 ]- atom: 114 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000360600000000, 0.0002141800000000, 0.0001909100000000 ] - [ -0.0000845300000000, 0.0001300500000000, 0.0001683800000000 ] - [ -0.0000177900000000, 0.0000320400000000, 0.0001364100000000 ] - [ 0.0000307700000000, -0.0001364100000000, 0.0001287700000000 ] - [ -0.0000238900000000, -0.0000012500000000, -0.0001992300000000 ] - [ -0.0002674500000000, -0.0007048200000000, 0.0000048300000000 ] - [ -0.0007848000000000, -0.0000472700000000, -0.0000280500000000 ] - [ -0.0010579200000000, -0.0002971400000000, -0.0003324200000000 ] - [ -0.0000277800000000, -0.0001591800000000, 0.0005116800000000 ] - [ -0.0002988900000000, 0.0006521600000000, 0.0000178100000000 ] - [ 0.0000128800000000, 0.0001330500000000, 0.0001202200000000 ] - [ 0.0000393700000000, 0.0000045600000000, -0.0000822100000000 ] - [ 0.0000252400000000, -0.0005028600000000, 0.0008805600000000 ] - [ -0.0000717900000000, -0.0003039700000000, 0.0002009900000000 ] - [ 0.0063385800000000, -0.0000469800000000, 0.0006263800000000 ] - [ -0.0000543100000000, -0.0000918800000000, 0.0001670500000000 ] - [ 0.0001127600000000, -0.0000071300000000, 0.0001697000000000 ] - [ 0.0001480700000000, 0.0000780300000000, 0.0001153400000000 ] - [ -0.0000486200000000, 0.0002253600000000, 0.0000590200000000 ] - [ -0.0000490100000000, -0.0000042600000000, -0.0001952900000000 ] - [ 0.0012446300000000, 0.0005933000000000, -0.0002684700000000 ] - [ 0.0002164800000000, 0.0000719600000000, 0.0000898400000000 ] - [ 0.0000798700000000, -0.0002267900000000, 0.0002498400000000 ] - [ 0.0000418900000000, 0.0000555100000000, 0.0001622000000000 ] - [ 0.0002277200000000, -0.0000080500000000, 0.0003254200000000 ] - [ -0.0005495700000000, -0.0004030600000000, -0.0005127700000000 ] - [ -0.0004805500000000, 0.0003037900000000, -0.0004227300000000 ] - [ -0.0000297000000000, 0.0002399900000000, 0.0006939300000000 ] - [ 0.0001995300000000, 0.0001278000000000, 0.0001337100000000 ] - [ -0.0001262700000000, -0.0000104200000000, -0.0001622300000000 ] - [ 0.0013421000000000, -0.0008933200000000, -0.0001908700000000 ] - [ -0.0000279100000000, 0.0007447700000000, -0.0001255000000000 ] - [ -0.0004120100000000, 0.0000438000000000, 0.0003398400000000 ] - [ 0.0003288700000000, -0.0001140000000000, 0.0002137300000000 ] - [ -0.0000669100000000, -0.0006844400000000, 0.0000000600000000 ] - [ -0.0001509400000000, -0.0000771100000000, 0.0001257700000000 ] - [ -0.0020520000000000, -0.0015561200000000, -0.0004436800000000 ] - [ 0.0035898800000000, -0.0010598200000000, -0.0004168400000000 ] - [ -0.0014729700000000, 0.0007371500000000, 0.0007178400000000 ] - [ -0.0002103400000000, -0.0000137000000000, -0.0003547600000000 ] - [ -0.0001777400000000, -0.0000533200000000, -0.0025465500000000 ] - [ 0.0001054500000000, -0.0000758300000000, 0.0001256800000000 ] - [ -0.0000301100000000, 0.0001042300000000, -0.0000647700000000 ] - [ -0.0016477400000000, -0.0007036000000000, 0.0006859500000000 ] - [ -0.0000212500000000, -0.0000992000000000, -0.0001164200000000 ] - [ 0.0001517200000000, -0.0001756900000000, 0.0002345300000000 ] - [ -0.0000863900000000, 0.0004480900000000, 0.0007527400000000 ] - [ -0.0001557100000000, -0.0001675400000000, 0.0000609900000000 ] - [ -0.0001134100000000, 0.0000450200000000, 0.0001850200000000 ] - [ -0.0000796100000000, -0.0001848000000000, -0.0000159200000000 ] - [ -0.0001667600000000, 0.0002532700000000, 0.0002067600000000 ] - [ -0.0001407900000000, 0.0000950900000000, 0.0002487500000000 ] - [ -0.0001156500000000, 0.0000547200000000, 0.0001263000000000 ] - [ -0.0010749900000000, 0.0002436500000000, -0.0002940500000000 ] - [ -0.0000978500000000, -0.0000591900000000, 0.0001093100000000 ] - [ -0.0000336600000000, -0.0000588200000000, 0.0000395000000000 ] - [ -0.0016792600000000, 0.0018840100000000, -0.0004106700000000 ] - [ -0.0001934700000000, -0.0000693100000000, 0.0002100700000000 ] - [ -0.0000608600000000, -0.0000781700000000, 0.0004098800000000 ] - [ -0.0000668100000000, 0.0000685700000000, 0.0001350300000000 ] - [ 0.0000522000000000, 0.0001571900000000, -0.0001743400000000 ] - [ 0.0034856900000000, 0.0010960300000000, -0.0004226900000000 ] - [ 0.0004191600000000, 0.0000650400000000, 0.0000084100000000 ] - [ -0.0000833900000000, -0.0000449100000000, 0.0004840600000000 ] - [ -0.0000031200000000, -0.0000001600000000, 0.0001074400000000 ] - [ -0.0008526100000000, -0.0007548800000000, 0.0000900600000000 ] - [ 0.0002824500000000, 0.0000027800000000, -0.0005062700000000 ] - [ -0.0011503600000000, 0.0003096200000000, 0.0006682500000000 ] - [ -0.0001270000000000, -0.0000719700000000, -0.0004962800000000 ] - [ -0.0003698300000000, 0.0000311600000000, 0.0004487600000000 ] - [ -0.0010575900000000, -0.0000385600000000, -0.0003326900000000 ] - [ 0.0012829300000000, 0.0034267600000000, -0.0013556300000000 ] - [ 0.0009236900000000, -0.0032790000000000, -0.0015658300000000 ] - [ 0.0012405100000000, 0.0016651100000000, -0.0003814100000000 ] - [ 0.0875755400000000, 0.0000209900000000, 0.0009739600000000 ] - [ -0.0043264900000000, -0.0002234800000000, 0.0022180400000000 ] - [ 0.0000166400000000, -0.0001035600000000, 0.0001896900000000 ] - [ 0.0000955400000000, 0.0001530800000000, 0.0001970900000000 ] - [ 0.0016335400000000, -0.0018313100000000, -0.0004514300000000 ] - [ 0.0000989800000000, 0.0000550500000000, 0.0001050800000000 ] - [ 0.0032334300000000, -0.0000067200000000, -0.0003183800000000 ] - [ -0.0004896500000000, -0.0000288900000000, -0.0002996900000000 ] - [ -0.0001887300000000, 0.0001145200000000, 0.0003476000000000 ] - [ -0.0000988600000000, -0.0000570500000000, 0.0001300800000000 ] - [ -0.0000260700000000, -0.0000020300000000, -0.0001177600000000 ] - [ 0.0000116000000000, 0.0000048600000000, -0.0001186800000000 ] - [ 0.0000176000000000, -0.0000063600000000, 0.0001651500000000 ] - [ 0.0001816800000000, -0.0001870500000000, 0.0001833200000000 ] - [ 0.0002186000000000, 0.0001177500000000, 0.0002763100000000 ] - [ 0.0002666100000000, 0.0000088900000000, 0.0002416800000000 ] - [ -0.0005691500000000, 0.0000007900000000, 0.0005406500000000 ] - [ 0.0007129000000000, 0.0006979500000000, -0.0003801300000000 ] - [ 0.0006325800000000, 0.0002879300000000, -0.0005038100000000 ] - [ -0.0010486600000000, -0.0000223800000000, -0.0003302800000000 ] - [ -0.0001857900000000, -0.0012751900000000, 0.0004866100000000 ] - [ 0.0000353500000000, -0.0000277200000000, -0.0004072100000000 ] - [ -0.0001610300000000, 0.0004911500000000, 0.0009288100000000 ] - [ -0.0002802200000000, 0.0002651900000000, 0.0002730500000000 ] - [ 0.0007694800000000, -0.0001039900000000, 0.0003988800000000 ] - [ -0.0007506600000000, -0.0000429500000000, -0.0004847300000000 ] - [ -0.0117981400000000, -0.0089038500000000, -0.0210002500000000 ] - [ -0.0000608000000000, -0.0001026500000000, -0.0000529200000000 ] - [ 0.0003990600000000, -0.0000101300000000, -0.0002815100000000 ] - [ 0.0003215500000000, 0.0006099500000000, -0.0004716400000000 ] - [ 0.0000003200000000, 0.0000197800000000, 0.0000777500000000 ] - [ 0.0002107700000000, 0.0014376500000000, -0.0001863600000000 ] - [ 0.0002349300000000, 0.0001090500000000, 0.0002161600000000 ] - [ 0.0001587100000000, 0.0000137900000000, -0.0000699600000000 ] - [ 0.0001537700000000, -0.0001350800000000, -0.0005775000000000 ] - [ -0.0001332000000000, 0.0006956300000000, -0.0002596000000000 ] - [ 0.0006119300000000, 0.0000089900000000, -0.0011565000000000 ] - [ 0.0000967600000000, -0.0001598500000000, -0.0001485400000000 ] - [ -0.0000231600000000, 0.0000734200000000, -0.0001890100000000 ] - [ -0.0844238700000000, -0.0000201700000000, -0.0007855600000000 ] - [ -0.0000353400000000, 0.0002572000000000, 0.0002189900000000 ] - [ 0.0000777300000000, 0.0000218800000000, 0.0008157600000000 ] - [ -0.0002536800000000, -0.0000061700000000, -0.0001645700000000 ] - [ 0.0000860400000000, 0.0000613300000000, 0.0001228800000000 ] - [ -0.0008457100000000, 0.0007493800000000, 0.0001123200000000 ] - [ 0.0001497700000000, 0.0001515700000000, -0.0003198300000000 ] - [ 0.0018723000000000, 0.0000362200000000, 0.0000300800000000 ] - [ 0.0027163100000000, 0.0003144200000000, -0.0013767900000000 ] - [ -0.0009753600000000, 0.0000989800000000, -0.0005180400000000 ] - [ -0.0001870200000000, -0.0003420000000000, 0.0002961900000000 ] - [ 0.0000541000000000, -0.0000166100000000, -0.0002520000000000 ] - [ -0.0002423800000000, 0.0011994000000000, 0.0006991900000000 ] - [ 0.0000661600000000, -0.0000199200000000, 0.0002249100000000 ] - [ 0.0043686100000000, -0.0007355300000000, 0.0435342600000000 ] - [ -0.0001310200000000, 0.0002597200000000, 0.0001062100000000 ] - [ -0.0001337200000000, 0.0001385500000000, 0.0002734600000000 ] - [ 0.0002159000000000, -0.0014093900000000, -0.0002224100000000 ] - [ -0.0000020500000000, -0.0006015900000000, -0.0002780100000000 ] - [ -0.0002027500000000, -0.0001271900000000, 0.0002759700000000 ] - [ -0.0002030100000000, 0.0004478400000000, 0.0003813300000000 ] - [ -0.0003351300000000, 0.0004058600000000, 0.0000098900000000 ] - [ 0.0000885000000000, -0.0000077900000000, 0.0005343300000000 ] - [ -0.0001512200000000, -0.0002906000000000, 0.0000190100000000 ] - [ -0.0010653900000000, 0.0003416000000000, -0.0004554200000000 ] - [ 0.0006580800000000, -0.0000781900000000, -0.0002118200000000 ] - [ 0.0025639900000000, -0.0001664300000000, -0.0013731700000000 ] - [ 0.0003713400000000, 0.0001652300000000, 0.0000344000000000 ] - [ 0.0002966800000000, 0.0002031100000000, -0.0000211500000000 ] - [ 0.0002186200000000, -0.0000962200000000, -0.0004380600000000 ] - [ -0.0000683800000000, -0.0004232700000000, 0.0004268200000000 ] - [ 0.0007766100000000, -0.0002760400000000, 0.0001475100000000 ] - [ 0.0002277700000000, -0.0000998500000000, 0.0002562000000000 ] - [ -0.0000091600000000, -0.0003001400000000, 0.0000803400000000 ] - [ 0.0005337000000000, 0.0000846500000000, -0.0000771800000000 ] - [ 0.0002360400000000, -0.0024053700000000, 0.0007557900000000 ] - [ -0.0000067000000000, -0.0000524100000000, -0.0002431300000000 ] - [ 0.0000732700000000, 0.0000183400000000, -0.0000517500000000 ] - [ 0.0001276900000000, 0.0002022500000000, -0.0001873000000000 ] - [ -0.0005528300000000, -0.0000050500000000, 0.0008238400000000 ] - [ 0.0004416500000000, -0.0006808100000000, -0.0004924300000000 ] - [ 0.0004757500000000, 0.0007962700000000, -0.0004732100000000 ] - [ 0.0003767200000000, 0.0023369900000000, 0.0008940400000000 ] - [ -0.0105191000000000, 0.0097422500000000, -0.0238050300000000 ] - [ -0.0010924700000000, 0.0000252300000000, -0.0005024000000000 ] - [ 0.0005870600000000, -0.0003592900000000, -0.0007108600000000 ] - [ 0.0002880800000000, -0.0006442200000000, -0.0004690400000000 ] - [ -0.0010762800000000, -0.0003425700000000, -0.0004725500000000 ] - [ 0.0003793300000000, -0.0001194600000000, 0.0001281100000000 ] - [ 0.0002484400000000, 0.0000228100000000, 0.0002155500000000 ] - [ -0.0002536800000000, -0.0005340600000000, 0.0009029500000000 ] - [ 0.0002373100000000, -0.0000116200000000, -0.0000436700000000 ] - [ -0.0009901700000000, -0.0007375700000000, 0.0001077300000000 ] - [ -0.0000479600000000, 0.0001949300000000, 0.0002947600000000 ] - [ -0.0014064100000000, 0.0000026000000000, 0.0014231700000000 ] - [ -0.0002490100000000, -0.0001411400000000, 0.0002211600000000 ] - [ -0.0000407300000000, 0.0000780400000000, -0.0002534400000000 ] - [ -0.0000239400000000, -0.0002485300000000, 0.0002766800000000 ] - [ 0.0003057900000000, -0.0000199000000000, 0.0003596200000000 ] - [ 0.0000451300000000, -0.0001059000000000, 0.0002545400000000 ] - [ -0.0000511100000000, 0.0012709800000000, 0.0002382500000000 ] - [ -0.0002780000000000, -0.0005789100000000, -0.0001300400000000 ] - [ 0.0000360400000000, -0.0000260400000000, 0.0000830800000000 ] - [ 0.0020015900000000, -0.0001397900000000, -0.0002384000000000 ] - [ -0.0000353400000000, 0.0000165400000000, -0.0000158900000000 ] - [ 0.0010570200000000, 0.0002255200000000, 0.0007419100000000 ] - [ 0.0000363400000000, -0.0001142200000000, -0.0002074500000000 ] - [ 0.0002798500000000, -0.0007402500000000, -0.0005884300000000 ] - [ -0.0000510000000000, 0.0001634800000000, -0.0002224500000000 ] - [ 0.0000041000000000, 0.0000052200000000, -0.0000128500000000 ] - [ 0.0004004300000000, 0.0007926800000000, -0.0006231000000000 ] - [ 0.0000346600000000, 0.0003736600000000, -0.0001067300000000 ] - [ 0.0017025300000000, -0.0001067900000000, 0.0001462200000000 ] - [ 0.0000862800000000, -0.0000738500000000, 0.0000227800000000 ] - [ -0.0002598900000000, -0.0012084600000000, 0.0002184900000000 ] - [ -0.0000852300000000, 0.0001794800000000, 0.0000222400000000 ]- atom: 114 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000881200000000, 0.0002045300000000, 0.0002344700000000 ] - [ -0.0000294200000000, 0.0000980800000000, 0.0001670000000000 ] - [ -0.0000326100000000, 0.0000705300000000, 0.0001371400000000 ] - [ -0.0000141700000000, -0.0001398300000000, 0.0001205400000000 ] - [ -0.0002245900000000, 0.0004461000000000, -0.0002382300000000 ] - [ 0.0000469900000000, 0.0003215900000000, -0.0000060900000000 ] - [ 0.0012367000000000, 0.0000519600000000, 0.0000243500000000 ] - [ 0.0007965700000000, -0.0001535700000000, -0.0001023100000000 ] - [ -0.0000982200000000, 0.0004087200000000, -0.0004032400000000 ] - [ 0.0000652400000000, -0.0002637500000000, -0.0000233700000000 ] - [ 0.0000001300000000, 0.0001580200000000, 0.0001241800000000 ] - [ -0.0001779500000000, -0.0004414600000000, -0.0001618500000000 ] - [ -0.0002222600000000, 0.0001081600000000, -0.0014917600000000 ] - [ 0.0001014500000000, 0.0001476100000000, 0.0002996000000000 ] - [ -0.0054960300000000, -0.0000615600000000, -0.0006649600000000 ] - [ -0.0000652600000000, -0.0001150400000000, 0.0001730300000000 ] - [ 0.0001416600000000, 0.0000225300000000, 0.0001654500000000 ] - [ 0.0000973500000000, 0.0000788300000000, 0.0001285800000000 ] - [ 0.0000188200000000, 0.0000695400000000, 0.0000517900000000 ] - [ -0.0001468400000000, 0.0004369500000000, -0.0003941200000000 ] - [ -0.0007965300000000, -0.0006188700000000, 0.0002675800000000 ] - [ 0.0000538100000000, 0.0000484700000000, 0.0000206700000000 ] - [ -0.0000243100000000, -0.0002033400000000, 0.0001702500000000 ] - [ 0.0000720200000000, -0.0000483200000000, 0.0001112800000000 ] - [ 0.0000509400000000, 0.0000170200000000, 0.0002565400000000 ] - [ 0.0002964000000000, 0.0000261500000000, -0.0000754300000000 ] - [ 0.0003698800000000, -0.0000947800000000, 0.0000882300000000 ] - [ -0.0001177200000000, -0.0002948900000000, -0.0001949500000000 ] - [ 0.0001351400000000, 0.0001267200000000, 0.0002894200000000 ] - [ 0.0001386100000000, 0.0001649600000000, 0.0006563100000000 ] - [ -0.0005978900000000, 0.0008983200000000, 0.0002428400000000 ] - [ 0.0005377600000000, -0.0007397700000000, -0.0003131800000000 ] - [ 0.0005401700000000, 0.0000488600000000, 0.0001559400000000 ] - [ -0.0001979800000000, 0.0000114600000000, 0.0002809500000000 ] - [ 0.0005036100000000, 0.0007903200000000, -0.0002530800000000 ] - [ -0.0000967700000000, -0.0000470800000000, 0.0001245600000000 ] - [ 0.0016627700000000, 0.0021944700000000, 0.0004990400000000 ] - [ -0.0037222100000000, 0.0015678100000000, 0.0002185700000000 ] - [ 0.0011104100000000, -0.0013897800000000, -0.0006587800000000 ] - [ 0.0000739300000000, -0.0002131700000000, 0.0004668300000000 ] - [ 0.0006371300000000, 0.0000993100000000, 0.0019420600000000 ] - [ 0.0001292200000000, -0.0001064600000000, 0.0001199600000000 ] - [ -0.0000819700000000, -0.0003006200000000, -0.0002778900000000 ] - [ 0.0014396200000000, 0.0010961100000000, -0.0006761100000000 ] - [ -0.0000116200000000, -0.0002038800000000, 0.0002176000000000 ] - [ 0.0001873200000000, -0.0000740500000000, 0.0001879100000000 ] - [ -0.0001975000000000, -0.0000941400000000, -0.0013635500000000 ] - [ -0.0000909400000000, -0.0000116400000000, 0.0000407100000000 ] - [ -0.0001205100000000, 0.0001315200000000, -0.0000772000000000 ] - [ 0.0003171700000000, 0.0001949000000000, -0.0003192500000000 ] - [ 0.0000089900000000, -0.0001933600000000, 0.0002890000000000 ] - [ -0.0002443200000000, 0.0000717100000000, 0.0001717000000000 ] - [ -0.0001595100000000, 0.0000571200000000, 0.0001184300000000 ] - [ 0.0007640800000000, 0.0000779700000000, 0.0000411800000000 ] - [ 0.0000339900000000, -0.0000512400000000, 0.0001572100000000 ] - [ 0.0003039300000000, -0.0000566700000000, 0.0000693900000000 ] - [ 0.0014513500000000, -0.0022632500000000, 0.0004157400000000 ] - [ -0.0002079400000000, -0.0000997500000000, 0.0002121800000000 ] - [ -0.0000777400000000, -0.0001647500000000, 0.0001694400000000 ] - [ -0.0000670600000000, 0.0001763400000000, 0.0004476700000000 ] - [ 0.0004114800000000, -0.0002249100000000, -0.0004130700000000 ] - [ -0.0037979900000000, -0.0015124500000000, 0.0002326200000000 ] - [ -0.0001402700000000, -0.0000577500000000, 0.0000998500000000 ] - [ 0.0001362500000000, -0.0000452600000000, 0.0000956900000000 ] - [ -0.0000656300000000, 0.0001130200000000, 0.0001202500000000 ] - [ 0.0008601800000000, 0.0007530900000000, 0.0000901400000000 ] - [ -0.0002828600000000, -0.0000033600000000, -0.0005076100000000 ] - [ 0.0014488400000000, 0.0001776200000000, -0.0007795900000000 ] - [ 0.0001264500000000, 0.0000722200000000, -0.0004976700000000 ] - [ 0.0003700500000000, -0.0000314400000000, 0.0004502600000000 ] - [ 0.0010579600000000, 0.0000356800000000, -0.0003319600000000 ] - [ -0.0010392000000000, -0.0029927600000000, 0.0008936700000000 ] - [ -0.0013831200000000, 0.0032553800000000, 0.0010961400000000 ] - [ -0.0018148800000000, -0.0016607200000000, 0.0002740400000000 ] - [ -0.0875296200000000, -0.0000188700000000, 0.0009727900000000 ] - [ 0.0045775300000000, -0.0001799500000000, -0.0026950000000000 ] - [ -0.0001211900000000, 0.0001005800000000, 0.0003895800000000 ] - [ -0.0000405300000000, -0.0000543500000000, 0.0003879500000000 ] - [ -0.0013603000000000, 0.0013365700000000, 0.0003433000000000 ] - [ 0.0000326000000000, -0.0000569000000000, 0.0001222200000000 ] - [ -0.0032095600000000, -0.0000034000000000, -0.0003172700000000 ] - [ 0.0004741000000000, 0.0000397200000000, -0.0002985600000000 ] - [ 0.0001902200000000, -0.0001134100000000, 0.0003467300000000 ] - [ 0.0000315800000000, -0.0000601100000000, 0.0000985500000000 ] - [ 0.0000245000000000, -0.0000018500000000, -0.0001175400000000 ] - [ -0.0000140600000000, -0.0000079600000000, -0.0001184100000000 ] - [ -0.0000154900000000, 0.0000103300000000, 0.0001651800000000 ] - [ -0.0000649600000000, -0.0000118800000000, 0.0000726400000000 ] - [ 0.0002073100000000, 0.0000601100000000, 0.0002753000000000 ] - [ 0.0003621700000000, -0.0000123600000000, 0.0001865500000000 ] - [ 0.0005670800000000, -0.0000016700000000, 0.0005402600000000 ] - [ -0.0005152800000000, -0.0004234600000000, -0.0002744800000000 ] - [ -0.0004866700000000, -0.0000179500000000, 0.0004149300000000 ] - [ 0.0007496300000000, 0.0000259700000000, 0.0002405400000000 ] - [ 0.0004558100000000, 0.0014234600000000, -0.0009832800000000 ] - [ -0.0000370800000000, 0.0000250300000000, -0.0004045100000000 ] - [ 0.0002434500000000, -0.0004912000000000, -0.0004809000000000 ] - [ -0.0002215600000000, 0.0001276100000000, 0.0001059700000000 ] - [ 0.0003370000000000, 0.0001094500000000, 0.0004048600000000 ] - [ -0.0009108600000000, -0.0000094400000000, -0.0004812000000000 ] - [ 0.0118685400000000, 0.0085253800000000, 0.0203589000000000 ] - [ -0.0000315900000000, -0.0000577300000000, -0.0001401800000000 ] - [ -0.0007420400000000, 0.0000463500000000, -0.0003743100000000 ] - [ 0.0005462200000000, 0.0007959900000000, -0.0004905600000000 ] - [ -0.0002317200000000, -0.0000182300000000, 0.0001785500000000 ] - [ 0.0000614900000000, -0.0009832100000000, -0.0000654100000000 ] - [ 0.0003312000000000, 0.0001305100000000, 0.0001633500000000 ] - [ -0.0002820500000000, 0.0002009300000000, 0.0000705100000000 ] - [ -0.0002896600000000, -0.0000953700000000, 0.0002127100000000 ] - [ 0.0001328100000000, -0.0003857700000000, -0.0002394700000000 ] - [ -0.0006598700000000, 0.0000609600000000, 0.0016076400000000 ] - [ 0.0001321300000000, -0.0002281500000000, -0.0001844800000000 ] - [ -0.0000709900000000, 0.0000744300000000, -0.0000036500000000 ] - [ 0.0843972400000000, -0.0000202800000000, -0.0007760400000000 ] - [ -0.0000385400000000, 0.0003515000000000, 0.0001594900000000 ] - [ -0.0000808700000000, -0.0000258600000000, 0.0008145200000000 ] - [ -0.0001966300000000, 0.0000097900000000, -0.0001679600000000 ] - [ 0.0000287300000000, 0.0001380800000000, 0.0001322200000000 ] - [ 0.0006296100000000, -0.0007509000000000, -0.0004537900000000 ] - [ -0.0000139500000000, -0.0004578900000000, -0.0003325100000000 ] - [ -0.0024032800000000, -0.0000291900000000, -0.0002809400000000 ] - [ -0.0024843600000000, 0.0001459800000000, 0.0011312800000000 ] - [ 0.0007231600000000, 0.0000702800000000, 0.0000214900000000 ] - [ -0.0001283600000000, -0.0002062500000000, 0.0001342600000000 ] - [ 0.0000764900000000, 0.0000227400000000, -0.0002504800000000 ] - [ 0.0004048800000000, -0.0014577400000000, -0.0007909400000000 ] - [ -0.0001443800000000, -0.0001265500000000, 0.0000924200000000 ] - [ -0.0048674500000000, 0.0007210700000000, -0.0447506000000000 ] - [ -0.0001882500000000, 0.0002821900000000, 0.0003224500000000 ] - [ -0.0002382000000000, 0.0001382000000000, 0.0002793100000000 ] - [ 0.0000427900000000, 0.0009220800000000, -0.0000313800000000 ] - [ 0.0002763200000000, 0.0004574700000000, -0.0002231700000000 ] - [ -0.0001503400000000, -0.0001437000000000, 0.0002738400000000 ] - [ -0.0003461300000000, 0.0005132300000000, 0.0004223800000000 ] - [ 0.0002064800000000, -0.0001649200000000, -0.0003730700000000 ] - [ -0.0000887700000000, 0.0000062000000000, 0.0005339200000000 ] - [ 0.0004259100000000, 0.0002969600000000, -0.0003830000000000 ] - [ 0.0009737600000000, -0.0001831000000000, 0.0007809400000000 ] - [ -0.0009270800000000, -0.0000784200000000, -0.0002878500000000 ] - [ -0.0024829100000000, -0.0000252900000000, 0.0010402100000000 ] - [ -0.0001939900000000, -0.0001635100000000, 0.0002793700000000 ] - [ -0.0002954400000000, -0.0002009700000000, -0.0000212400000000 ] - [ -0.0002165700000000, 0.0001001700000000, -0.0004366000000000 ] - [ -0.0004821100000000, -0.0005304800000000, 0.0003771800000000 ] - [ -0.0005306900000000, 0.0002764600000000, -0.0001471500000000 ] - [ 0.0001973200000000, -0.0000836500000000, 0.0002969800000000 ] - [ -0.0000672800000000, -0.0003220300000000, 0.0002988600000000 ] - [ -0.0006552700000000, -0.0002934000000000, 0.0000765000000000 ] - [ -0.0001292900000000, 0.0025616400000000, -0.0010907000000000 ] - [ -0.0000532400000000, -0.0000515300000000, -0.0002586800000000 ] - [ 0.0001018900000000, -0.0000254000000000, -0.0001412600000000 ] - [ 0.0000978100000000, 0.0001892900000000, -0.0001464600000000 ] - [ 0.0005536700000000, 0.0000001400000000, 0.0008226200000000 ] - [ 0.0004236100000000, -0.0007347300000000, -0.0004739600000000 ] - [ 0.0003096200000000, 0.0006605500000000, -0.0004937900000000 ] - [ -0.0001038000000000, -0.0027666100000000, -0.0011412500000000 ] - [ 0.0105311800000000, -0.0093062000000000, 0.0231150900000000 ] - [ -0.0005617000000000, 0.0000163500000000, -0.0004590600000000 ] - [ -0.0006027500000000, 0.0000572100000000, 0.0002183700000000 ] - [ 0.0004958200000000, -0.0008184900000000, -0.0004921800000000 ] - [ 0.0009838300000000, 0.0001991100000000, 0.0008027000000000 ] - [ 0.0002101500000000, -0.0001196800000000, 0.0002503100000000 ] - [ -0.0003304800000000, 0.0001102200000000, 0.0001042500000000 ] - [ 0.0002083500000000, 0.0004523100000000, -0.0004542400000000 ] - [ -0.0002405800000000, 0.0000070000000000, -0.0000427500000000 ] - [ 0.0004444100000000, 0.0007141300000000, -0.0003641000000000 ] - [ -0.0000108900000000, 0.0002623600000000, 0.0002572000000000 ] - [ 0.0015641800000000, -0.0000069500000000, -0.0010871900000000 ] - [ -0.0002514000000000, -0.0002342400000000, 0.0001570700000000 ] - [ -0.0000192800000000, 0.0000380500000000, -0.0002484300000000 ] - [ -0.0000343300000000, -0.0001927900000000, 0.0002728700000000 ] - [ -0.0002619000000000, -0.0000667700000000, -0.0004061300000000 ] - [ -0.0001590900000000, -0.0000947100000000, -0.0000538900000000 ] - [ 0.0000504700000000, -0.0012894900000000, -0.0000908300000000 ] - [ -0.0001812900000000, 0.0005883400000000, 0.0004660700000000 ] - [ -0.0000085600000000, -0.0000221600000000, -0.0000469200000000 ] - [ -0.0019944600000000, 0.0001337800000000, 0.0003786400000000 ] - [ -0.0000201200000000, -0.0000177200000000, 0.0000525800000000 ] - [ -0.0008155500000000, 0.0001788900000000, -0.0004030900000000 ] - [ 0.0000050800000000, 0.0001909100000000, 0.0001571500000000 ] - [ -0.0002691900000000, 0.0007841500000000, -0.0001175200000000 ] - [ -0.0000460000000000, -0.0001719700000000, 0.0001776100000000 ] - [ 0.0000217700000000, 0.0000405800000000, 0.0000477900000000 ] - [ -0.0004229500000000, -0.0007976200000000, -0.0000876300000000 ] - [ 0.0001976500000000, -0.0007709500000000, 0.0004428800000000 ] - [ -0.0016807900000000, 0.0000971300000000, -0.0008575900000000 ] - [ 0.0001514300000000, 0.0000779600000000, 0.0001755600000000 ] - [ 0.0002485300000000, 0.0011964600000000, -0.0000707900000000 ] - [ -0.0000326000000000, 0.0000269700000000, 0.0001762800000000 ]- atom: 114 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000420000000000, 0.0002431500000000, -0.0003611900000000 ] - [ -0.0000300100000000, 0.0000441900000000, -0.0005123000000000 ] - [ -0.0000356800000000, 0.0001538200000000, -0.0004170300000000 ] - [ 0.0000355500000000, -0.0000962100000000, -0.0007760500000000 ] - [ -0.0001375300000000, 0.0006156700000000, 0.0007563500000000 ] - [ -0.0000945200000000, -0.0000443800000000, 0.0013151400000000 ] - [ 0.0000856900000000, -0.0000596700000000, 0.0013151400000000 ] - [ -0.0004644200000000, -0.0004269400000000, 0.0007563500000000 ] - [ 0.0009695100000000, 0.0006018200000000, -0.0005220700000000 ] - [ 0.0000088300000000, 0.0001040500000000, 0.0013151400000000 ] - [ 0.0000268700000000, 0.0001222800000000, -0.0005633000000000 ] - [ -0.0001144000000000, -0.0007113300000000, 0.0007395400000000 ] - [ 0.0008602900000000, 0.0015252700000000, -0.0034046900000000 ] - [ 0.0000797400000000, 0.0000073400000000, -0.0000115900000000 ] - [ -0.0020047000000000, -0.0000552300000000, 0.0028271100000000 ] - [ -0.0000232700000000, -0.0000480800000000, -0.0005123000000000 ] - [ 0.0000532700000000, 0.0000038900000000, -0.0005123000000000 ] - [ 0.0000655400000000, 0.0000788900000000, -0.0007760500000000 ] - [ -0.0000446000000000, 0.0001618500000000, -0.0005965700000000 ] - [ -0.0001916400000000, 0.0007392100000000, -0.0002453700000000 ] - [ -0.0005402900000000, -0.0025911900000000, 0.0025266300000000 ] - [ 0.0001690300000000, -0.0002178700000000, -0.0007204200000000 ] - [ 0.0002842600000000, 0.0002324300000000, -0.0009310400000000 ] - [ 0.0001510500000000, -0.0000460100000000, -0.0004170300000000 ] - [ 0.0001685800000000, 0.0002559100000000, -0.0004746200000000 ] - [ -0.0005443500000000, -0.0005355700000000, -0.0002453700000000 ] - [ -0.0004638200000000, 0.0004438500000000, -0.0002700900000000 ] - [ 0.0009321300000000, -0.0005099400000000, -0.0003605200000000 ] - [ -0.0003434200000000, 0.0001299600000000, -0.0009310400000000 ] - [ -0.0009076800000000, -0.0005522800000000, -0.0003605200000000 ] - [ -0.0001406000000000, 0.0026337500000000, 0.0026174400000000 ] - [ 0.0006019500000000, -0.0001887300000000, 0.0007563500000000 ] - [ -0.0000462300000000, 0.0000653900000000, -0.0000115900000000 ] - [ -0.0000244500000000, 0.0010622200000000, -0.0003605200000000 ] - [ 0.0006732300000000, 0.0002565900000000, 0.0007395400000000 ] - [ -0.0001193300000000, -0.0000378700000000, -0.0005633000000000 ] - [ -0.0022105900000000, -0.0014386400000000, 0.0026174400000000 ] - [ 0.0010501800000000, -0.0017085100000000, 0.0028271100000000 ] - [ 0.0023511900000000, -0.0011951100000000, 0.0026174400000000 ] - [ -0.0010059400000000, 0.0005387100000000, -0.0005220700000000 ] - [ -0.0017510600000000, -0.0000176000000000, -0.0034046900000000 ] - [ 0.0000924600000000, -0.0000844100000000, -0.0005633000000000 ] - [ -0.0001524700000000, -0.0006236000000000, -0.0002700900000000 ] - [ 0.0025141800000000, 0.0008276900000000, 0.0025266300000000 ] - [ -0.0002732000000000, -0.0000374500000000, -0.0007204200000000 ] - [ 0.0002315700000000, -0.0000852000000000, -0.0003611900000000 ] - [ 0.0008907800000000, -0.0015076600000000, -0.0034046900000000 ] - [ -0.0001178600000000, -0.0001195500000000, -0.0005965700000000 ] - [ 0.0001041600000000, 0.0002553200000000, -0.0007204200000000 ] - [ 0.0006162900000000, 0.0001797600000000, -0.0002700900000000 ] - [ -0.0000335100000000, -0.0000727300000000, -0.0000115900000000 ] - [ 0.0000591600000000, -0.0003623900000000, -0.0009310400000000 ] - [ -0.0001010900000000, 0.0000173100000000, -0.0007760500000000 ] - [ -0.0005588300000000, 0.0004547400000000, 0.0007395400000000 ] - [ -0.0001153700000000, -0.0001078100000000, -0.0004170300000000 ] - [ 0.0001624700000000, -0.0000423000000000, -0.0005965700000000 ] - [ -0.0019738900000000, 0.0017635000000000, 0.0025266300000000 ] - [ -0.0001895700000000, -0.0001579500000000, -0.0003611900000000 ] - [ 0.0001373300000000, -0.0002739500000000, -0.0004746200000000 ] - [ -0.0003059100000000, 0.0000180400000000, -0.0004746200000000 ] - [ 0.0007360000000000, -0.0002036400000000, -0.0002453700000000 ] - [ 0.0009545200000000, 0.0017637400000000, 0.0028271100000000 ] - [ 0.0000364400000000, -0.0011405300000000, -0.0005220700000000 ] - [ 0.0006448300000000, -0.0000557300000000, -0.0016869500000000 ] - [ -0.0000797200000000, 0.0000064700000000, -0.0019568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057178900000000 ] - [ 0.0025139500000000, 0.0001559400000000, -0.0017224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008063100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019114500000000 ] - [ -0.0013950600000000, 0.0033221800000000, 0.0007419400000000 ] - [ -0.0021795600000000, -0.0028692500000000, 0.0007419400000000 ] - [ -0.0013920200000000, 0.0020991700000000, -0.0017224600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3360916300000000 ] - [ 0.0035746200000000, -0.0004529300000000, 0.0007419400000000 ] - [ -0.0003706800000000, -0.0005305700000000, -0.0016869500000000 ] - [ -0.0002741500000000, 0.0005863100000000, -0.0016869500000000 ] - [ -0.0011219300000000, -0.0022551100000000, -0.0017224600000000 ] - [ 0.0000454600000000, 0.0000658000000000, -0.0019568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013709700000000 ] - [ 0.0000342600000000, -0.0000722700000000, -0.0019568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003923300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006673400000000 ] - [ 0.0002121100000000, -0.0003236500000000, 0.0006739600000000 ] - [ 0.0001298100000000, -0.0000756300000000, 0.0009639300000000 ] - [ 0.0007121300000000, 0.0002805200000000, 0.0009881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047078700000000 ] - [ 0.0004020900000000, 0.0005131600000000, -0.0014122400000000 ] - [ -0.0014382700000000, -0.0001259100000000, 0.0007612100000000 ] - [ 0.0008281700000000, -0.0011826200000000, 0.0007612100000000 ] - [ 0.0006124400000000, -0.0013864700000000, 0.0006019000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007834200000000 ] - [ 0.0004489400000000, 0.0006372600000000, -0.0003083600000000 ] - [ -0.0001962600000000, 0.0006890300000000, 0.0009668900000000 ] - [ 0.0004074700000000, 0.0000423300000000, 0.0004770300000000 ] - [ -0.0007607700000000, -0.0000092300000000, -0.0000033800000000 ] - [ -0.0071788500000000, 0.0134954800000000, 0.0239915000000000 ] - [ -0.0000022600000000, -0.0001625600000000, 0.0012531700000000 ] - [ -0.0006454500000000, 0.0000916400000000, -0.0014122400000000 ] - [ 0.0000416200000000, 0.0000433300000000, 0.0010219600000000 ] - [ -0.0003863400000000, -0.0000218700000000, 0.0006739600000000 ] - [ 0.0009903400000000, 0.0016872700000000, -0.0012246000000000 ] - [ 0.0006948500000000, -0.0001745500000000, 0.0009668900000000 ] - [ 0.0000948300000000, -0.0000269800000000, -0.0010108600000000 ] - [ -0.0004525300000000, -0.0000851700000000, 0.0010240300000000 ] - [ 0.0005066600000000, 0.0010182800000000, -0.0003717200000000 ] - [ -0.0007763600000000, 0.0000701600000000, -0.0003083600000000 ] - [ 0.0000208300000000, 0.0000411300000000, 0.0005842100000000 ] - [ -0.0001396500000000, 0.0000832300000000, 0.0012531700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4205967800000000 ] - [ -0.0000164000000000, 0.0002499200000000, 0.0007182300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014340500000000 ] - [ 0.0000252000000000, -0.0000386100000000, 0.0005842100000000 ] - [ 0.0001742300000000, 0.0003455100000000, 0.0006739600000000 ] - [ 0.0009811600000000, 0.0019639500000000, -0.0011341500000000 ] - [ 0.0002433700000000, -0.0006048000000000, -0.0014122400000000 ] - [ -0.0019563900000000, 0.0000140200000000, -0.0012246000000000 ] - [ -0.0019475700000000, 0.0004407200000000, -0.0012520500000000 ] - [ 0.0008945000000000, 0.0012236200000000, 0.0006019000000000 ] - [ -0.0001131300000000, -0.0007569800000000, 0.0009881100000000 ] - [ 0.0000400700000000, 0.0000293000000000, 0.0011351900000000 ] - [ 0.0006101000000000, 0.0013085300000000, 0.0007612100000000 ] - [ 0.0000221300000000, 0.0001399900000000, 0.0003083000000000 ] - [ 0.0152768500000000, -0.0005306700000000, 0.0239915000000000 ] - [ -0.0005990000000000, 0.0004764600000000, 0.0009881100000000 ] - [ 0.0000005900000000, 0.0001502300000000, 0.0009639300000000 ] - [ 0.0009660500000000, -0.0017012900000000, -0.0012246000000000 ] - [ 0.0006285300000000, -0.0009479200000000, -0.0003717200000000 ] - [ 0.0000651500000000, -0.0001120900000000, 0.0010212100000000 ] - [ -0.0002403900000000, 0.0003317200000000, 0.0004770300000000 ] - [ 0.0001525100000000, 0.0004344900000000, 0.0010240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011823100000000 ] - [ 0.0003000200000000, -0.0003493200000000, 0.0010240300000000 ] - [ -0.0002446900000000, 0.0004477100000000, 0.0040771000000000 ] - [ -0.0011351900000000, -0.0000703600000000, -0.0003717200000000 ] - [ -0.0021914100000000, -0.0001322700000000, -0.0011341500000000 ] - [ -0.0001323000000000, -0.0000508300000000, 0.0003083000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008383200000000 ] - [ -0.0001670800000000, -0.0003740400000000, 0.0004770300000000 ] - [ -0.0000707800000000, -0.0000686300000000, -0.0010108600000000 ] - [ 0.0000645000000000, 0.0001124700000000, 0.0010212100000000 ] - [ -0.0004985900000000, -0.0005144900000000, 0.0009668900000000 ] - [ -0.0000240500000000, 0.0000956100000000, -0.0010108600000000 ] - [ 0.0012102500000000, -0.0018316800000000, -0.0011341500000000 ] - [ 0.0000053400000000, -0.0000493500000000, 0.0011351900000000 ] - [ 0.0001419100000000, 0.0000793300000000, 0.0012531700000000 ] - [ -0.0000460400000000, -0.0000025200000000, 0.0005842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048118300000000 ] - [ 0.0003883800000000, -0.0006542400000000, -0.0000033800000000 ] - [ 0.0003724000000000, 0.0006634600000000, -0.0000033800000000 ] - [ 0.0013554600000000, 0.0014662800000000, -0.0012520500000000 ] - [ -0.0080980000000000, -0.0129648100000000, 0.0239915000000000 ] - [ -0.0000583400000000, 0.0000143800000000, 0.0010219600000000 ] - [ -0.0015069400000000, 0.0001628500000000, 0.0006019000000000 ] - [ 0.0000167100000000, -0.0000577100000000, 0.0010219600000000 ] - [ -0.0002653800000000, -0.0004357600000000, 0.0040771000000000 ] - [ 0.0002246300000000, -0.0001107600000000, 0.0007182300000000 ] - [ 0.0001101700000000, -0.0000891700000000, 0.0003083000000000 ] - [ 0.0003274200000000, -0.0007074200000000, -0.0003083600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013980000000000 ] - [ 0.0005921100000000, -0.0019070000000000, -0.0012520500000000 ] - [ -0.0001296500000000, -0.0000003700000000, 0.0010212100000000 ] - [ 0.0005100700000000, -0.0000119500000000, 0.0040771000000000 ] - [ -0.0002082400000000, -0.0001391600000000, 0.0007182300000000 ] - [ -0.0000454100000000, 0.0000200500000000, 0.0011351900000000 ] - [ -0.0001304000000000, -0.0000746000000000, 0.0009639300000000 ] - [ 0.0004956900000000, -0.0000317000000000, 0.0006055200000000 ] - [ 0.0004122100000000, -0.0001216200000000, 0.0007573100000000 ] - [ 0.0000372500000000, 0.0000479000000000, -0.0022694200000000 ] - [ -0.0008943500000000, 0.0010875600000000, 0.0001215100000000 ] - [ 0.0001223000000000, -0.0000365200000000, 0.0007414200000000 ] - [ -0.0000601100000000, 0.0000083100000000, -0.0022694200000000 ] - [ -0.0000927700000000, -0.0000876600000000, 0.0007414200000000 ] - [ 0.0013890300000000, 0.0002307500000000, 0.0001215100000000 ] - [ -0.0002203900000000, 0.0004451300000000, 0.0006055200000000 ] - [ -0.0010010900000000, 0.0020203600000000, -0.0009074300000000 ] - [ -0.0002753000000000, -0.0004134300000000, 0.0006055200000000 ] - [ -0.0000295300000000, 0.0001241700000000, 0.0007414200000000 ] - [ -0.0012491400000000, -0.0018771600000000, -0.0009074300000000 ] - [ -0.0004946800000000, -0.0013183100000000, 0.0001215100000000 ] - [ 0.0022502300000000, -0.0001432100000000, -0.0009074300000000 ] - [ -0.0001007800000000, 0.0004177900000000, 0.0007573100000000 ] - [ 0.0000228600000000, -0.0000562100000000, -0.0022694200000000 ] - [ -0.0003114300000000, -0.0002961700000000, 0.0007573100000000 ]- atom: 114 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000894400000000, 0.0001853500000000, 0.0008021600000000 ] - [ -0.0000898000000000, 0.0001632600000000, 0.0008472100000000 ] - [ -0.0000284000000000, -0.0000427300000000, 0.0007118100000000 ] - [ -0.0000106800000000, -0.0001871600000000, 0.0010112200000000 ] - [ -0.0001217000000000, -0.0001693800000000, -0.0012044600000000 ] - [ -0.0001298000000000, -0.0003492400000000, -0.0013325900000000 ] - [ 0.0003673500000000, 0.0000622100000000, -0.0013325900000000 ] - [ 0.0002075400000000, -0.0000207000000000, -0.0012044600000000 ] - [ -0.0011014400000000, -0.0003740500000000, 0.0006591500000000 ] - [ -0.0002375500000000, 0.0002870300000000, -0.0013325900000000 ] - [ -0.0000018800000000, 0.0001605900000000, 0.0007978100000000 ] - [ -0.0000148500000000, 0.0002822900000000, -0.0010031200000000 ] - [ -0.0010495400000000, -0.0019503800000000, 0.0028376100000000 ] - [ -0.0000532800000000, -0.0001631900000000, 0.0005238400000000 ] - [ 0.0026059500000000, -0.0000485100000000, -0.0030288700000000 ] - [ -0.0000964900000000, -0.0001594000000000, 0.0008472100000000 ] - [ 0.0001862900000000, -0.0000038600000000, 0.0008472100000000 ] - [ 0.0001674200000000, 0.0000843300000000, 0.0010112200000000 ] - [ 0.0000115500000000, 0.0001411200000000, 0.0006948700000000 ] - [ 0.0000052000000000, -0.0003219700000000, -0.0003366000000000 ] - [ 0.0009992800000000, 0.0025942000000000, -0.0025589900000000 ] - [ 0.0001098500000000, 0.0003420600000000, 0.0008195500000000 ] - [ -0.0002368900000000, -0.0006612500000000, 0.0013722300000000 ] - [ -0.0000228100000000, 0.0000459600000000, 0.0007118100000000 ] - [ 0.0001130700000000, -0.0002570200000000, 0.0010589300000000 ] - [ 0.0002762300000000, 0.0001654900000000, -0.0003366000000000 ] - [ 0.0003555900000000, -0.0002541600000000, -0.0000575000000000 ] - [ -0.0010806800000000, 0.0004548900000000, 0.0008733400000000 ] - [ 0.0006911000000000, 0.0001254700000000, 0.0013722300000000 ] - [ 0.0009342900000000, 0.0007084500000000, 0.0008733400000000 ] - [ 0.0008990400000000, -0.0026388600000000, -0.0026005500000000 ] - [ -0.0000858400000000, 0.0001900900000000, -0.0012044600000000 ] - [ 0.0001679700000000, 0.0000354600000000, 0.0005238400000000 ] - [ 0.0001463900000000, -0.0011633400000000, 0.0008733400000000 ] - [ -0.0002370500000000, -0.0001540000000000, -0.0010031200000000 ] - [ -0.0001381400000000, -0.0000819200000000, 0.0007978100000000 ] - [ 0.0018358000000000, 0.0020980200000000, -0.0026005500000000 ] - [ -0.0012609700000000, 0.0022810700000000, -0.0030288700000000 ] - [ -0.0027348400000000, 0.0005408400000000, -0.0026005500000000 ] - [ 0.0008746600000000, -0.0007668500000000, 0.0006591500000000 ] - [ 0.0022138500000000, 0.0000662700000000, 0.0028376100000000 ] - [ 0.0001400100000000, -0.0000786700000000, 0.0007978100000000 ] - [ 0.0000423100000000, 0.0004350300000000, -0.0000575000000000 ] - [ -0.0027462900000000, -0.0004317000000000, -0.0025589900000000 ] - [ 0.0002413000000000, -0.0002661600000000, 0.0008195500000000 ] - [ 0.0001158000000000, -0.0001701300000000, 0.0008021600000000 ] - [ -0.0011643100000000, 0.0018841200000000, 0.0028376100000000 ] - [ -0.0001279900000000, -0.0000605600000000, 0.0006948700000000 ] - [ -0.0003511500000000, -0.0000759000000000, 0.0008195500000000 ] - [ -0.0003979100000000, -0.0001808700000000, -0.0000575000000000 ] - [ -0.0001146900000000, 0.0001277400000000, 0.0005238400000000 ] - [ -0.0004542100000000, 0.0005357700000000, 0.0013722300000000 ] - [ -0.0001567500000000, 0.0001028300000000, 0.0010112200000000 ] - [ 0.0002518900000000, -0.0001282900000000, -0.0010031200000000 ] - [ 0.0000512100000000, -0.0000032300000000, 0.0007118100000000 ] - [ 0.0001164400000000, -0.0000805600000000, 0.0006948700000000 ] - [ 0.0017470100000000, -0.0021625000000000, -0.0025589900000000 ] - [ -0.0002052400000000, -0.0000152200000000, 0.0008021600000000 ] - [ -0.0002791200000000, 0.0000305900000000, 0.0010589300000000 ] - [ 0.0001660500000000, 0.0002264300000000, 0.0010589300000000 ] - [ -0.0002814300000000, 0.0001564800000000, -0.0003366000000000 ] - [ -0.0013449800000000, -0.0022325600000000, -0.0030288700000000 ] - [ 0.0002267800000000, 0.0011409100000000, 0.0006591500000000 ] - [ -0.0005925000000000, -0.0000352700000000, 0.0022947400000000 ] - [ 0.0000127900000000, 0.0001104300000000, 0.0021947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047438900000000 ] - [ -0.0022447600000000, 0.0003335400000000, 0.0016357000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005922500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026030900000000 ] - [ 0.0016375300000000, -0.0029362400000000, -0.0012098200000000 ] - [ 0.0017240900000000, 0.0028862600000000, -0.0012098200000000 ] - [ 0.0008335300000000, -0.0021107900000000, 0.0016357000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3610340700000000 ] - [ -0.0033616200000000, 0.0000499700000000, -0.0012098200000000 ] - [ 0.0002657000000000, 0.0005307600000000, 0.0022947400000000 ] - [ 0.0003268000000000, -0.0004954800000000, 0.0022947400000000 ] - [ 0.0014112300000000, 0.0017772500000000, 0.0016357000000000 ] - [ 0.0000892400000000, -0.0000662900000000, 0.0021947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083137100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020809200000000 ] - [ -0.0001020300000000, -0.0000441300000000, 0.0021947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006325700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003429000000000 ] - [ -0.0000930300000000, 0.0001171600000000, -0.0004271800000000 ] - [ 0.0002967600000000, 0.0002647100000000, -0.0004310400000000 ] - [ -0.0000755100000000, -0.0002807300000000, -0.0005536100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036377200000000 ] - [ -0.0002058900000000, -0.0002425900000000, 0.0007709000000000 ] - [ 0.0015985800000000, 0.0003912300000000, -0.0008526500000000 ] - [ -0.0011381100000000, 0.0011888000000000, -0.0008526500000000 ] - [ -0.0003469100000000, 0.0015375900000000, -0.0010997200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016236200000000 ] - [ -0.0003663900000000, -0.0006390000000000, 0.0007603600000000 ] - [ -0.0003071200000000, -0.0003039500000000, -0.0005823900000000 ] - [ 0.0007066200000000, -0.0000423400000000, 0.0003350500000000 ] - [ -0.0009020600000000, -0.0000382400000000, -0.0009770000000000 ] - [ 0.0076036900000000, -0.0141965700000000, -0.0251976900000000 ] - [ -0.0000866300000000, 0.0000086100000000, -0.0014655100000000 ] - [ 0.0003130300000000, -0.0000570100000000, 0.0007709000000000 ] - [ 0.0008326600000000, 0.0013759800000000, -0.0020071400000000 ] - [ 0.0001479800000000, 0.0000219900000000, -0.0004271800000000 ] - [ -0.0007228100000000, -0.0012439200000000, 0.0009776500000000 ] - [ -0.0001096700000000, 0.0004179500000000, -0.0005823900000000 ] - [ -0.0002227100000000, 0.0002478100000000, 0.0010248600000000 ] - [ 0.0003183600000000, -0.0001509100000000, -0.0014123700000000 ] - [ -0.0005198100000000, -0.0007198700000000, -0.0001206000000000 ] - [ 0.0007365900000000, 0.0000022000000000, 0.0007603600000000 ] - [ 0.0002109600000000, -0.0004430300000000, -0.0009368700000000 ] - [ 0.0000507700000000, 0.0000707200000000, -0.0014655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4471838400000000 ] - [ -0.0000657300000000, 0.0003786300000000, -0.0003335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002026200000000 ] - [ -0.0004891500000000, 0.0000388100000000, -0.0009368700000000 ] - [ -0.0000549500000000, -0.0001391500000000, -0.0004271800000000 ] - [ -0.0012032300000000, -0.0019760900000000, 0.0007908900000000 ] - [ -0.0001071400000000, 0.0002996000000000, 0.0007709000000000 ] - [ 0.0014386800000000, -0.0000040100000000, 0.0009776500000000 ] - [ 0.0022188800000000, 0.0000242700000000, 0.0009977800000000 ] - [ -0.0011581400000000, -0.0010692300000000, -0.0010997200000000 ] - [ -0.0002053600000000, 0.0002057500000000, -0.0005536100000000 ] - [ 0.0000885100000000, -0.0000292900000000, -0.0016411500000000 ] - [ -0.0004604800000000, -0.0015800300000000, -0.0008526500000000 ] - [ -0.0001032300000000, -0.0002891300000000, 0.0000106300000000 ] - [ -0.0160964400000000, 0.0005133000000000, -0.0251976900000000 ] - [ 0.0002808700000000, 0.0000749700000000, -0.0005536100000000 ] - [ -0.0003776200000000, 0.0001246500000000, -0.0004310400000000 ] - [ -0.0007158600000000, 0.0012479400000000, 0.0009776500000000 ] - [ -0.0003635200000000, 0.0008101000000000, -0.0001206000000000 ] - [ -0.0004426000000000, -0.0001631200000000, -0.0004888000000000 ] - [ -0.0003166400000000, 0.0006331200000000, 0.0003350500000000 ] - [ -0.0002898800000000, -0.0002002500000000, -0.0014123700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001125700000000 ] - [ -0.0000284900000000, 0.0003511700000000, -0.0014123700000000 ] - [ 0.0001603300000000, -0.0002930400000000, -0.0037490800000000 ] - [ 0.0008833300000000, -0.0000902400000000, -0.0001206000000000 ] - [ 0.0023129600000000, -0.0000539900000000, 0.0007908900000000 ] - [ 0.0003020100000000, 0.0000551600000000, 0.0000106300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000512900000000 ] - [ -0.0003899800000000, -0.0005907800000000, 0.0003350500000000 ] - [ 0.0003259600000000, 0.0000689700000000, 0.0010248600000000 ] - [ 0.0003625700000000, -0.0003017400000000, -0.0004888000000000 ] - [ 0.0004167900000000, -0.0001139900000000, -0.0005823900000000 ] - [ -0.0001032500000000, -0.0003167800000000, 0.0010248600000000 ] - [ -0.0011097200000000, 0.0020300700000000, 0.0007908900000000 ] - [ -0.0000696200000000, -0.0000620100000000, -0.0016411500000000 ] - [ 0.0000358600000000, -0.0000793300000000, -0.0014655100000000 ] - [ 0.0002781900000000, 0.0004042100000000, -0.0009368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031866900000000 ] - [ 0.0004841500000000, -0.0007620900000000, -0.0009770000000000 ] - [ 0.0004179100000000, 0.0008003300000000, -0.0009770000000000 ] - [ -0.0010884200000000, -0.0019337500000000, 0.0009977800000000 ] - [ 0.0084927500000000, 0.0136832800000000, -0.0251976900000000 ] - [ -0.0016079600000000, 0.0000331100000000, -0.0020071400000000 ] - [ 0.0015050500000000, -0.0004683600000000, -0.0010997200000000 ] - [ 0.0007753000000000, -0.0014090900000000, -0.0020071400000000 ] - [ 0.0001736200000000, 0.0002853700000000, -0.0037490800000000 ] - [ 0.0003607700000000, -0.0001323900000000, -0.0003335600000000 ] - [ -0.0001987700000000, 0.0002339700000000, 0.0000106300000000 ] - [ -0.0003702000000000, 0.0006368000000000, 0.0007603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013178500000000 ] - [ -0.0011304600000000, 0.0019094800000000, 0.0009977800000000 ] - [ 0.0000800300000000, 0.0004648700000000, -0.0004888000000000 ] - [ -0.0003339400000000, 0.0000076700000000, -0.0037490800000000 ] - [ -0.0002950400000000, -0.0002462400000000, -0.0003335600000000 ] - [ -0.0000188900000000, 0.0000913000000000, -0.0016411500000000 ] - [ 0.0000808600000000, -0.0003893500000000, -0.0004310400000000 ] - [ -0.0004525900000000, -0.0000481400000000, -0.0006605600000000 ] - [ -0.0005305300000000, -0.0000829400000000, -0.0005612600000000 ] - [ -0.0000275200000000, -0.0000438100000000, 0.0024398200000000 ] - [ 0.0004345300000000, -0.0010908400000000, 0.0002116300000000 ] - [ -0.0000955700000000, -0.0000107000000000, -0.0007138900000000 ] - [ 0.0000517000000000, -0.0000019300000000, 0.0024398200000000 ] - [ 0.0000385200000000, 0.0000881200000000, -0.0007138900000000 ] - [ -0.0011619600000000, 0.0001691100000000, 0.0002116300000000 ] - [ 0.0002679800000000, -0.0003678800000000, -0.0006605600000000 ] - [ 0.0010186900000000, -0.0020157700000000, 0.0002047600000000 ] - [ 0.0001846000000000, 0.0004160200000000, -0.0006605600000000 ] - [ 0.0000570500000000, -0.0000774200000000, -0.0007138900000000 ] - [ 0.0012363600000000, 0.0018900900000000, 0.0002047600000000 ] - [ 0.0007274300000000, 0.0009217300000000, 0.0002116300000000 ] - [ -0.0022550500000000, 0.0001256700000000, 0.0002047600000000 ] - [ 0.0003370900000000, -0.0004179800000000, -0.0005612600000000 ] - [ -0.0000241800000000, 0.0000457400000000, 0.0024398200000000 ] - [ 0.0001934400000000, 0.0005009200000000, -0.0005612600000000 ]- atom: 116 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000961000000000, 0.0002107600000000, 0.0001793700000000 ] - [ -0.0000287500000000, -0.0000646700000000, 0.0002572800000000 ] - [ -0.0000973500000000, 0.0000733500000000, 0.0001940000000000 ] - [ 0.0000470900000000, 0.0000617800000000, 0.0002210100000000 ] - [ -0.0001863100000000, 0.0002470700000000, -0.0002714700000000 ] - [ -0.0001563200000000, 0.0000106400000000, -0.0005306700000000 ] - [ 0.0004715100000000, -0.0000226400000000, 0.0000550500000000 ] - [ -0.0001179900000000, -0.0001982800000000, -0.0002041400000000 ] - [ -0.0000661800000000, 0.0001207600000000, 0.0000573400000000 ] - [ -0.0002106000000000, 0.0000351700000000, 0.0004555800000000 ] - [ 0.0000560300000000, 0.0004491500000000, 0.0012847600000000 ] - [ -0.0000067900000000, -0.0002269200000000, -0.0000837500000000 ] - [ -0.0000063300000000, 0.0000866200000000, -0.0004052800000000 ] - [ 0.0000127400000000, -0.0000774500000000, 0.0002500400000000 ] - [ 0.0001881100000000, -0.0000162100000000, -0.0000960200000000 ] - [ -0.0004469300000000, -0.0002798100000000, -0.0000476400000000 ] - [ -0.0000465500000000, 0.0001888500000000, 0.0002992400000000 ] - [ -0.0000458300000000, -0.0001111100000000, 0.0002509700000000 ] - [ -0.0018925300000000, -0.0017774200000000, -0.0003448300000000 ] - [ 0.0030742900000000, -0.0007726300000000, -0.0003203200000000 ] - [ -0.0001836500000000, 0.0000103900000000, -0.0001741400000000 ] - [ -0.0009726000000000, 0.0000682000000000, 0.0001563800000000 ] - [ -0.0000472900000000, -0.0002414700000000, 0.0002653000000000 ] - [ 0.0000279100000000, -0.0000477900000000, 0.0001001700000000 ] - [ 0.0010731800000000, 0.0009316200000000, 0.0000719000000000 ] - [ 0.0030302400000000, 0.0007810000000000, -0.0003206600000000 ] - [ 0.0000419200000000, -0.0001922500000000, -0.0002712000000000 ] - [ -0.0000838000000000, -0.0000480900000000, 0.0002515500000000 ] - [ 0.0001368600000000, 0.0001804900000000, 0.0001790800000000 ] - [ 0.0000002700000000, 0.0001017800000000, 0.0002496200000000 ] - [ 0.0006158700000000, 0.0000615600000000, 0.0000391900000000 ] - [ 0.0002300300000000, -0.0000345400000000, -0.0001892500000000 ] - [ 0.0000877400000000, 0.0000492300000000, 0.0002489800000000 ] - [ 0.0000201700000000, -0.0000540100000000, 0.0002352400000000 ] - [ 0.0002652600000000, 0.0000519800000000, -0.0002143400000000 ] - [ -0.0000774300000000, -0.0003523500000000, 0.0012319600000000 ] - [ -0.0002029400000000, 0.0000921000000000, -0.0004613200000000 ] - [ -0.0000546200000000, 0.0001899400000000, -0.0001134500000000 ] - [ -0.0003247200000000, -0.0001926600000000, 0.0004773100000000 ] - [ -0.0000553400000000, -0.0000942700000000, 0.0000499900000000 ] - [ -0.0000849800000000, -0.0006355500000000, -0.0004226800000000 ] - [ -0.0003642000000000, -0.0000828400000000, -0.0021723500000000 ] - [ -0.0010002500000000, -0.0002830300000000, 0.0000414900000000 ] - [ -0.0001698000000000, 0.0004079200000000, 0.0000754300000000 ] - [ -0.0002325800000000, -0.0006639000000000, 0.0000137100000000 ] - [ 0.0002396700000000, -0.0001254400000000, 0.0002770700000000 ] - [ -0.0010729900000000, 0.0003514600000000, -0.0000481900000000 ] - [ -0.0014914000000000, 0.0009299500000000, 0.0007376000000000 ] - [ -0.0003292200000000, 0.0006057100000000, 0.0000060700000000 ] - [ -0.0002149900000000, 0.0006668500000000, -0.0002709200000000 ] - [ -0.0000688800000000, 0.0000102200000000, 0.0002370900000000 ] - [ -0.0001761700000000, 0.0000596000000000, 0.0001909800000000 ] - [ -0.0005433800000000, 0.0002422700000000, -0.0001005200000000 ] - [ -0.0000902500000000, 0.0001673300000000, -0.0000899300000000 ] - [ -0.0000177300000000, -0.0000310200000000, 0.0001140600000000 ] - [ 0.0010566000000000, -0.0009319900000000, -0.0002047300000000 ] - [ -0.0001771500000000, -0.0003839100000000, 0.0000811700000000 ] - [ -0.0001286900000000, -0.0000848100000000, 0.0001764100000000 ] - [ -0.0019266800000000, 0.0017777900000000, -0.0001864800000000 ] - [ -0.0013475700000000, -0.0008759700000000, 0.0010149300000000 ] - [ 0.0048429800000000, -0.0000296400000000, -0.0000794000000000 ] - [ -0.0002177200000000, -0.0001961500000000, -0.0001756600000000 ] - [ 0.0001616900000000, 0.0000038500000000, 0.0000587400000000 ] - [ 0.0000695600000000, -0.0001236500000000, 0.0005423500000000 ] - [ -0.0012771600000000, 0.0000167800000000, 0.0008544400000000 ] - [ 0.0030991400000000, 0.0000106000000000, 0.0000621800000000 ] - [ -0.0008754300000000, 0.0006574100000000, -0.0004882600000000 ] - [ 0.0015045900000000, 0.0035900100000000, 0.0002620500000000 ] - [ 0.0883166500000000, 0.0000306500000000, 0.0003310900000000 ] - [ -0.0000403200000000, -0.0000025900000000, 0.0004465800000000 ] - [ -0.0004304100000000, 0.0002734300000000, -0.0003373100000000 ] - [ -0.0000529200000000, 0.0002197900000000, -0.0001265500000000 ] - [ -0.0001623700000000, 0.0001415000000000, -0.0003038400000000 ] - [ 0.0012558500000000, -0.0034368500000000, 0.0002547400000000 ] - [ -0.0004459900000000, 0.0000613000000000, 0.0000795500000000 ] - [ 0.0001735600000000, -0.0003359100000000, -0.0002931900000000 ] - [ -0.0000033600000000, 0.0000773800000000, 0.0005556800000000 ] - [ -0.0000624600000000, 0.0000521600000000, -0.0002241900000000 ] - [ -0.0043160100000000, -0.0004435600000000, -0.0006311300000000 ] - [ 0.0015550500000000, -0.0016003300000000, -0.0002560000000000 ] - [ -0.0000340700000000, -0.0000052000000000, -0.0003010900000000 ] - [ 0.0000752900000000, 0.0000043600000000, -0.0003032800000000 ] - [ -0.0009777700000000, -0.0006485000000000, 0.0003565900000000 ] - [ 0.0014310100000000, 0.0015023800000000, -0.0002533700000000 ] - [ 0.0000786900000000, -0.0000126100000000, -0.0001187700000000 ] - [ -0.0005080600000000, -0.0000017700000000, -0.0001151800000000 ] - [ 0.0000636200000000, 0.0000106600000000, 0.0001642700000000 ] - [ 0.0001835800000000, 0.0001535800000000, 0.0001675500000000 ] - [ 0.0007845700000000, 0.0002827500000000, -0.0001953400000000 ] - [ 0.0002360700000000, -0.0000124600000000, 0.0001561500000000 ] - [ 0.0000155000000000, -0.0000037400000000, 0.0005354900000000 ] - [ -0.0008248000000000, -0.0001494400000000, 0.0002476800000000 ] - [ 0.0001406400000000, -0.0020984300000000, -0.0003219000000000 ] - [ -0.0012717400000000, 0.0004649900000000, -0.0003015100000000 ] - [ 0.0002114100000000, 0.0012908500000000, -0.0004540700000000 ] - [ 0.0002275000000000, 0.0001448500000000, -0.0004110300000000 ] - [ 0.0000275300000000, -0.0000304500000000, 0.0002523500000000 ] - [ -0.0002196400000000, 0.0001158800000000, 0.0001233100000000 ] - [ 0.0005779300000000, 0.0000157200000000, 0.0004092500000000 ] - [ 0.0030987000000000, 0.0002163400000000, 0.0425314300000000 ] - [ 0.0003787500000000, -0.0002165100000000, -0.0003813300000000 ] - [ 0.0000771200000000, -0.0000844500000000, 0.0003258200000000 ] - [ -0.0016269500000000, -0.0000026500000000, -0.0015108900000000 ] - [ 0.0005281000000000, 0.0004298700000000, -0.0004867900000000 ] - [ 0.0005278200000000, -0.0001022100000000, -0.0000106400000000 ] - [ 0.0000958700000000, 0.0001349800000000, -0.0000418400000000 ] - [ 0.0004510300000000, 0.0001177600000000, 0.0003184900000000 ] - [ 0.0001847900000000, -0.0001104300000000, 0.0000420900000000 ] - [ -0.0003279700000000, -0.0011376800000000, -0.0002645900000000 ] - [ 0.0020070200000000, 0.0001349900000000, 0.0003026500000000 ] - [ -0.0000358500000000, 0.0000627400000000, 0.0002515100000000 ] - [ 0.0006734300000000, -0.0003611700000000, -0.0006262100000000 ] - [ -0.0000525900000000, 0.0001475400000000, -0.0002991800000000 ] - [ 0.0000803900000000, -0.0000223500000000, -0.0000141200000000 ] - [ -0.0000553400000000, 0.0003552200000000, 0.0003100900000000 ] - [ -0.0806885900000000, 0.0000090000000000, 0.0001062400000000 ] - [ -0.0010949700000000, 0.0000217900000000, -0.0004310500000000 ] - [ 0.0007481500000000, 0.0006186400000000, 0.0002145000000000 ] - [ -0.0001561800000000, -0.0000335300000000, -0.0001552400000000 ] - [ -0.0008898600000000, 0.0001527000000000, 0.0003115100000000 ] - [ -0.0003050900000000, 0.0000310600000000, -0.0001084600000000 ] - [ 0.0001330400000000, 0.0002894600000000, -0.0001199500000000 ] - [ 0.0020475900000000, 0.0001032000000000, 0.0001546700000000 ] - [ -0.0001749400000000, -0.0003248100000000, 0.0003355300000000 ] - [ -0.0002080500000000, 0.0002842300000000, -0.0000423500000000 ] - [ 0.0019067000000000, 0.0000028300000000, 0.0004769800000000 ] - [ -0.0000699100000000, -0.0000803700000000, 0.0001564600000000 ] - [ 0.0001026300000000, 0.0001003500000000, -0.0002081600000000 ] - [ -0.0001699600000000, 0.0002899500000000, 0.0001526800000000 ] - [ -0.0010137600000000, 0.0001227600000000, 0.0000131000000000 ] - [ 0.0001829600000000, -0.0002626300000000, -0.0002143700000000 ] - [ 0.0001748700000000, 0.0023265500000000, -0.0005910600000000 ] - [ 0.0005957800000000, -0.0001348500000000, 0.0003037800000000 ] - [ -0.0002504400000000, 0.0004761300000000, 0.0004014600000000 ] - [ 0.0013860500000000, 0.0001558600000000, -0.0001051900000000 ] - [ -0.0000279600000000, -0.0000006500000000, 0.0005373000000000 ] - [ -0.0001864700000000, 0.0009899700000000, -0.0002089700000000 ] - [ -0.0000347300000000, 0.0000737900000000, 0.0001605700000000 ] - [ -0.0012139800000000, -0.0005777400000000, -0.0004659400000000 ] - [ 0.0000112700000000, -0.0000119600000000, -0.0000975300000000 ] - [ 0.0000412600000000, 0.0000009400000000, 0.0001694000000000 ] - [ -0.0005531800000000, -0.0000009900000000, -0.0000078200000000 ] - [ 0.0000180700000000, 0.0000017700000000, -0.0004334000000000 ] - [ -0.0002663800000000, -0.0004723900000000, 0.0003978200000000 ] - [ 0.0003845400000000, 0.0000309300000000, -0.0000144200000000 ] - [ 0.0000774400000000, -0.0006121000000000, 0.0002603100000000 ] - [ -0.0000038800000000, -0.0002327200000000, 0.0001270700000000 ] - [ -0.0000215600000000, -0.0001844100000000, -0.0000192300000000 ] - [ 0.0001005700000000, 0.0001029400000000, -0.0002441100000000 ] - [ -0.0002954400000000, -0.0003266300000000, -0.0000506600000000 ] - [ 0.0000780100000000, -0.0000793800000000, -0.0003102200000000 ] - [ -0.0002021600000000, -0.0011278100000000, 0.0005575300000000 ] - [ 0.0002963000000000, -0.0000585000000000, 0.0008080700000000 ] - [ -0.0108242800000000, -0.0098479800000000, -0.0226978200000000 ] - [ -0.0113444700000000, 0.0095250500000000, -0.0215790400000000 ] - [ 0.0001402200000000, -0.0002888700000000, -0.0001175100000000 ] - [ 0.0001726600000000, 0.0001640400000000, -0.0003820300000000 ] - [ -0.0002477100000000, 0.0000761000000000, -0.0004363500000000 ] - [ 0.0000859000000000, -0.0013460900000000, -0.0004557900000000 ] - [ 0.0010175200000000, -0.0012666700000000, -0.0005369300000000 ] - [ -0.0000193200000000, -0.0000628300000000, 0.0001649900000000 ] - [ 0.0002200000000000, -0.0001105800000000, 0.0001335100000000 ] - [ -0.0000727800000000, 0.0000748900000000, 0.0001570800000000 ] - [ 0.0000123600000000, -0.0000394700000000, 0.0001785000000000 ] - [ 0.0002138600000000, -0.0000968800000000, -0.0000397100000000 ] - [ -0.0001542100000000, -0.0000110800000000, -0.0001289200000000 ] - [ -0.0001598400000000, 0.0007592800000000, 0.0002564600000000 ] - [ 0.0001023100000000, -0.0000138600000000, 0.0001552500000000 ] - [ -0.0002607800000000, -0.0002051700000000, 0.0001253000000000 ] - [ 0.0001793400000000, 0.0000678300000000, -0.0006678700000000 ] - [ -0.0003365800000000, 0.0010930100000000, 0.0010098300000000 ] - [ 0.0002521600000000, 0.0011696800000000, 0.0000375900000000 ] - [ -0.0000709400000000, -0.0001237900000000, 0.0001173100000000 ] - [ 0.0000972500000000, -0.0000048400000000, 0.0003662500000000 ] - [ -0.0002379200000000, 0.0000214400000000, 0.0001507300000000 ] - [ 0.0002875000000000, 0.0006813400000000, -0.0003076000000000 ] - [ -0.0000441800000000, -0.0000866400000000, -0.0000742800000000 ] - [ 0.0003151300000000, -0.0007072700000000, -0.0003158900000000 ] - [ 0.0001057400000000, 0.0001835500000000, 0.0001493600000000 ] - [ 0.0023229500000000, -0.0000290400000000, -0.0001962500000000 ] - [ 0.0007161500000000, 0.0000569400000000, -0.0009030400000000 ] - [ 0.0001118100000000, -0.0012243800000000, 0.0000647200000000 ] - [ 0.0015610500000000, 0.0000807100000000, 0.0006758600000000 ] - [ -0.0000224100000000, -0.0004477600000000, -0.0000551400000000 ] - [ 0.0001396800000000, -0.0001987400000000, 0.0002088400000000 ] - [ -0.0000709700000000, 0.0004226000000000, -0.0000995300000000 ] - [ 0.0001034300000000, 0.0000237900000000, 0.0001171200000000 ] - [ -0.0000562500000000, 0.0000739700000000, -0.0000530100000000 ] - [ -0.0000324000000000, 0.0001043000000000, 0.0000626400000000 ]- atom: 116 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000448800000000, 0.0002085700000000, 0.0002439800000000 ] - [ -0.0000857200000000, 0.0002956000000000, 0.0000803400000000 ] - [ 0.0000473800000000, 0.0000284300000000, 0.0000798800000000 ] - [ -0.0000307300000000, -0.0003413600000000, 0.0000311100000000 ] - [ -0.0000629300000000, 0.0001984300000000, -0.0001739100000000 ] - [ -0.0000681600000000, -0.0003927200000000, 0.0005191200000000 ] - [ -0.0000179100000000, 0.0000234200000000, -0.0000684600000000 ] - [ -0.0001410000000000, -0.0002506600000000, -0.0002369000000000 ] - [ -0.0000625200000000, 0.0001254600000000, 0.0000511600000000 ] - [ -0.0000211900000000, 0.0003573600000000, -0.0004702700000000 ] - [ -0.0000396200000000, -0.0001691800000000, -0.0010596000000000 ] - [ -0.0001312200000000, -0.0002078300000000, -0.0001694500000000 ] - [ -0.0001919700000000, -0.0004907600000000, -0.0001785100000000 ] - [ 0.0000172800000000, -0.0000794400000000, 0.0002468400000000 ] - [ 0.0002427200000000, -0.0000909800000000, -0.0001630700000000 ] - [ 0.0003272900000000, 0.0000723300000000, 0.0003903000000000 ] - [ 0.0003035800000000, -0.0001749300000000, 0.0000381300000000 ] - [ 0.0002939800000000, 0.0002700400000000, -0.0000054900000000 ] - [ 0.0018575600000000, 0.0020702600000000, 0.0004712500000000 ] - [ -0.0032564900000000, 0.0011364100000000, -0.0002090400000000 ] - [ 0.0006379300000000, -0.0000188100000000, 0.0001600700000000 ] - [ 0.0012433400000000, 0.0000541500000000, -0.0000352200000000 ] - [ 0.0001019800000000, -0.0001895200000000, 0.0001565200000000 ] - [ 0.0000852500000000, 0.0000552700000000, 0.0001740200000000 ] - [ -0.0007993000000000, -0.0009431300000000, 0.0005230400000000 ] - [ -0.0032716600000000, -0.0010944300000000, -0.0002102800000000 ] - [ -0.0001514500000000, 0.0003982700000000, -0.0000592400000000 ] - [ -0.0000670600000000, -0.0000043400000000, 0.0002457500000000 ] - [ 0.0001986300000000, 0.0000737100000000, 0.0002457500000000 ] - [ 0.0000158000000000, 0.0000561200000000, 0.0002441800000000 ] - [ 0.0001331100000000, -0.0000689900000000, -0.0000000100000000 ] - [ 0.0002802100000000, 0.0000416700000000, -0.0002558000000000 ] - [ 0.0000410900000000, 0.0000436200000000, 0.0002445300000000 ] - [ 0.0001109200000000, -0.0000532700000000, 0.0002572300000000 ] - [ 0.0001695500000000, 0.0000516700000000, -0.0000476800000000 ] - [ -0.0001675700000000, 0.0002398800000000, -0.0010024300000000 ] - [ -0.0001849300000000, 0.0005471800000000, 0.0004987800000000 ] - [ -0.0000737500000000, 0.0002400900000000, -0.0001461500000000 ] - [ -0.0000496600000000, -0.0004637500000000, -0.0004427600000000 ] - [ -0.0000769900000000, -0.0001350100000000, 0.0000646500000000 ] - [ 0.0005512800000000, 0.0006782500000000, -0.0001618300000000 ] - [ 0.0005906300000000, -0.0001000100000000, 0.0024097500000000 ] - [ 0.0008913900000000, 0.0000943200000000, -0.0003789400000000 ] - [ -0.0000521900000000, -0.0000128800000000, -0.0000876000000000 ] - [ 0.0002017500000000, 0.0003616200000000, 0.0000955200000000 ] - [ 0.0001001100000000, -0.0001241400000000, 0.0001435100000000 ] - [ 0.0007883600000000, 0.0000096200000000, -0.0005352400000000 ] - [ 0.0012608200000000, -0.0011106200000000, -0.0006140500000000 ] - [ 0.0000950900000000, -0.0004316300000000, 0.0001111000000000 ] - [ 0.0004483500000000, -0.0006549900000000, -0.0000599500000000 ] - [ -0.0000894200000000, 0.0000496300000000, 0.0002554100000000 ] - [ -0.0002090500000000, 0.0001088400000000, 0.0002318900000000 ] - [ 0.0002674800000000, -0.0001301000000000, 0.0003491800000000 ] - [ -0.0002165400000000, 0.0001502700000000, -0.0001710600000000 ] - [ -0.0000455900000000, -0.0000788700000000, 0.0001535000000000 ] - [ -0.0007916600000000, 0.0008353600000000, 0.0003263300000000 ] - [ -0.0000457700000000, 0.0000001700000000, -0.0000895000000000 ] - [ -0.0002731900000000, -0.0000852300000000, 0.0002442100000000 ] - [ 0.0017815200000000, -0.0020165600000000, 0.0007826400000000 ] - [ 0.0012324300000000, 0.0011229200000000, -0.0004105300000000 ] - [ -0.0047530200000000, -0.0000383200000000, -0.0002978400000000 ] - [ -0.0000914100000000, -0.0001430200000000, -0.0000757400000000 ] - [ 0.0001160700000000, 0.0000079100000000, 0.0000500100000000 ] - [ -0.0000181300000000, 0.0000346600000000, 0.0000375500000000 ] - [ 0.0012269900000000, 0.0000963200000000, -0.0006276800000000 ] - [ -0.0030851900000000, -0.0000150300000000, 0.0000621000000000 ] - [ 0.0008775300000000, -0.0006621100000000, -0.0004876200000000 ] - [ -0.0012243500000000, -0.0031228500000000, -0.0003378400000000 ] - [ -0.0883395900000000, -0.0000300200000000, 0.0003314400000000 ] - [ 0.0000409600000000, 0.0000037600000000, 0.0004459500000000 ] - [ 0.0004296100000000, -0.0002717500000000, -0.0003376600000000 ] - [ 0.0002916800000000, 0.0001901300000000, -0.0003509000000000 ] - [ -0.0003044700000000, -0.0001394100000000, -0.0001802200000000 ] - [ -0.0018242500000000, 0.0034574500000000, -0.0003296800000000 ] - [ 0.0004375300000000, -0.0000591600000000, 0.0000795800000000 ] - [ 0.0000569500000000, -0.0000693000000000, -0.0001913700000000 ] - [ -0.0001003600000000, -0.0000794400000000, 0.0000237200000000 ] - [ 0.0001178500000000, 0.0000444500000000, 0.0008126500000000 ] - [ 0.0045634900000000, -0.0000485100000000, 0.0005520400000000 ] - [ -0.0014325500000000, 0.0015949200000000, 0.0004865000000000 ] - [ 0.0000496900000000, -0.0000042000000000, -0.0003008700000000 ] - [ -0.0000906200000000, 0.0000045600000000, -0.0003030600000000 ] - [ 0.0009798600000000, 0.0006542200000000, 0.0003565700000000 ] - [ -0.0015090400000000, -0.0016162200000000, 0.0004856100000000 ] - [ -0.0000806300000000, 0.0000088000000000, -0.0001189100000000 ] - [ 0.0005085400000000, -0.0000012300000000, -0.0001153500000000 ] - [ -0.0000617600000000, -0.0000067400000000, 0.0001644000000000 ] - [ -0.0000680300000000, -0.0003524600000000, 0.0000810500000000 ] - [ -0.0003701600000000, -0.0001075000000000, 0.0007491500000000 ] - [ 0.0003911400000000, 0.0000083900000000, 0.0002727900000000 ] - [ -0.0000163900000000, 0.0000027500000000, 0.0005353400000000 ] - [ 0.0010222800000000, 0.0004268300000000, -0.0008805000000000 ] - [ 0.0000143700000000, 0.0023875100000000, 0.0002237200000000 ] - [ 0.0009634300000000, -0.0004636700000000, 0.0002017100000000 ] - [ 0.0000561200000000, -0.0011448500000000, -0.0000491200000000 ] - [ -0.0002296300000000, -0.0001483800000000, -0.0004121700000000 ] - [ 0.0000557300000000, 0.0000256100000000, 0.0002032000000000 ] - [ -0.0002826400000000, 0.0002756000000000, 0.0002559200000000 ] - [ 0.0005287100000000, -0.0000108300000000, 0.0003967800000000 ] - [ -0.0049241400000000, -0.0002764200000000, -0.0440861000000000 ] - [ -0.0001773400000000, -0.0000587500000000, -0.0002675200000000 ] - [ -0.0001690500000000, -0.0000756100000000, -0.0005182300000000 ] - [ 0.0012823900000000, 0.0000390100000000, 0.0008709300000000 ] - [ 0.0003415900000000, 0.0009820500000000, -0.0004875600000000 ] - [ -0.0007568300000000, 0.0001032700000000, 0.0002585500000000 ] - [ 0.0001745800000000, 0.0003071700000000, -0.0002008100000000 ] - [ 0.0001134100000000, 0.0001229900000000, 0.0000604900000000 ] - [ -0.0003074400000000, 0.0003226200000000, -0.0000361500000000 ] - [ 0.0001967200000000, 0.0009088900000000, -0.0001237300000000 ] - [ -0.0019897500000000, 0.0001724700000000, -0.0008020400000000 ] - [ -0.0000092500000000, 0.0000073800000000, 0.0002038400000000 ] - [ -0.0004563300000000, -0.0000242100000000, 0.0002951600000000 ] - [ -0.0000418600000000, -0.0000009700000000, 0.0001098700000000 ] - [ -0.0000782000000000, 0.0000253700000000, -0.0000135400000000 ] - [ -0.0000178700000000, 0.0002535400000000, 0.0000687700000000 ] - [ 0.0814609900000000, 0.0000092500000000, 0.0001056900000000 ] - [ 0.0006521000000000, -0.0000136900000000, 0.0000983500000000 ] - [ -0.0006354500000000, -0.0004249900000000, 0.0000320300000000 ] - [ -0.0000547000000000, 0.0000237800000000, -0.0001761200000000 ] - [ 0.0010253700000000, -0.0004582900000000, -0.0009420500000000 ] - [ -0.0002147200000000, -0.0000227500000000, -0.0001338800000000 ] - [ 0.0001165500000000, 0.0001665700000000, -0.0001239100000000 ] - [ -0.0022981900000000, 0.0000620200000000, -0.0006586800000000 ] - [ -0.0001396800000000, -0.0002209200000000, 0.0000945900000000 ] - [ 0.0003402700000000, -0.0002775800000000, -0.0004646500000000 ] - [ -0.0017283300000000, -0.0002629300000000, -0.0005717000000000 ] - [ -0.0000072200000000, -0.0000641000000000, 0.0001658700000000 ] - [ -0.0004318000000000, -0.0001342100000000, -0.0004374500000000 ] - [ -0.0001478200000000, 0.0002504500000000, 0.0002765400000000 ] - [ 0.0006498000000000, 0.0001495000000000, 0.0005402100000000 ] - [ 0.0000720700000000, -0.0002138600000000, -0.0000302100000000 ] - [ 0.0000954900000000, -0.0024863700000000, 0.0000867200000000 ] - [ -0.0009573600000000, -0.0001361800000000, 0.0002402600000000 ] - [ -0.0002987000000000, 0.0004847800000000, 0.0004046100000000 ] - [ -0.0015099200000000, 0.0000848800000000, -0.0002822600000000 ] - [ 0.0000276300000000, -0.0000005500000000, 0.0005371300000000 ] - [ 0.0004622400000000, -0.0009844700000000, -0.0001762900000000 ] - [ -0.0000514600000000, 0.0000799800000000, 0.0001564300000000 ] - [ 0.0009501400000000, 0.0004272800000000, -0.0000387500000000 ] - [ 0.0000877800000000, -0.0001743000000000, -0.0002338400000000 ] - [ 0.0001344600000000, 0.0000014500000000, 0.0001490200000000 ] - [ 0.0005532000000000, 0.0000041400000000, -0.0000071800000000 ] - [ -0.0000162000000000, 0.0000014000000000, -0.0004342000000000 ] - [ -0.0002848300000000, -0.0004825200000000, 0.0004083700000000 ] - [ -0.0001378300000000, -0.0000319100000000, 0.0000203300000000 ] - [ 0.0003503200000000, 0.0004270800000000, 0.0002882900000000 ] - [ -0.0000712800000000, -0.0003894600000000, 0.0002524300000000 ] - [ -0.0001003700000000, -0.0000270800000000, 0.0000247900000000 ] - [ -0.0000004800000000, 0.0000724800000000, -0.0000868600000000 ] - [ 0.0002373100000000, 0.0002222100000000, -0.0004559300000000 ] - [ 0.0000966000000000, 0.0000732600000000, 0.0001203700000000 ] - [ 0.0004307200000000, 0.0015172900000000, -0.0008943900000000 ] - [ -0.0002983300000000, 0.0000552800000000, 0.0008088100000000 ] - [ 0.0115670300000000, 0.0083277600000000, 0.0217188000000000 ] - [ 0.0120067800000000, -0.0079735000000000, 0.0206185000000000 ] - [ 0.0001271000000000, -0.0001602300000000, -0.0001261600000000 ] - [ -0.0000329900000000, 0.0001442000000000, -0.0002668400000000 ] - [ -0.0014140000000000, -0.0000341900000000, -0.0005379700000000 ] - [ -0.0000917300000000, 0.0010461500000000, -0.0000470400000000 ] - [ -0.0002324500000000, -0.0001972200000000, -0.0004363100000000 ] - [ -0.0000672700000000, -0.0000763000000000, 0.0001559100000000 ] - [ 0.0003693200000000, -0.0001292200000000, 0.0002458400000000 ] - [ -0.0000091000000000, 0.0000579400000000, 0.0001669100000000 ] - [ -0.0000569500000000, -0.0000376800000000, 0.0002778200000000 ] - [ -0.0002165900000000, 0.0000907700000000, -0.0000406000000000 ] - [ -0.0003873000000000, -0.0000051600000000, -0.0001165500000000 ] - [ 0.0001029700000000, -0.0003006700000000, 0.0002912500000000 ] - [ 0.0000540900000000, 0.0000095600000000, 0.0001673500000000 ] - [ -0.0002399800000000, -0.0001699000000000, 0.0002541700000000 ] - [ -0.0002422100000000, 0.0000482500000000, 0.0001644800000000 ] - [ 0.0002807600000000, -0.0015320800000000, -0.0004624800000000 ] - [ -0.0002121900000000, -0.0012560000000000, -0.0000990900000000 ] - [ -0.0000445000000000, -0.0000764500000000, 0.0000812900000000 ] - [ -0.0000984300000000, -0.0000123900000000, -0.0002054900000000 ] - [ -0.0002201900000000, -0.0000159100000000, 0.0001890900000000 ] - [ -0.0002671000000000, -0.0007418400000000, 0.0003422400000000 ] - [ 0.0000404800000000, 0.0000836200000000, 0.0002324900000000 ] - [ -0.0003764200000000, 0.0007189300000000, 0.0003508100000000 ] - [ 0.0001274200000000, 0.0002208700000000, 0.0001890200000000 ] - [ -0.0022869000000000, 0.0001030000000000, 0.0001302700000000 ] - [ -0.0007035300000000, -0.0000274400000000, 0.0002020900000000 ] - [ -0.0002104300000000, 0.0012188700000000, -0.0001262200000000 ] - [ -0.0015293900000000, -0.0000358200000000, -0.0006455200000000 ] - [ 0.0000091200000000, 0.0004505900000000, -0.0006522600000000 ] - [ 0.0000945900000000, -0.0001949600000000, 0.0001313700000000 ] - [ 0.0000860900000000, -0.0004272800000000, -0.0006079300000000 ] - [ 0.0001346000000000, -0.0000212100000000, 0.0000800100000000 ] - [ 0.0000418100000000, -0.0000875500000000, 0.0002124400000000 ] - [ -0.0000845500000000, 0.0001031400000000, 0.0001359200000000 ]- atom: 116 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000887200000000, 0.0004008600000000, -0.0007542000000000 ] - [ -0.0001441400000000, 0.0005725600000000, 0.0000509900000000 ] - [ 0.0000522400000000, -0.0000449400000000, -0.0004956900000000 ] - [ -0.0000528000000000, -0.0006158000000000, 0.0000938100000000 ] - [ -0.0002487200000000, 0.0003363400000000, -0.0007626400000000 ] - [ -0.0011632000000000, 0.0002731300000000, -0.0005927200000000 ] - [ 0.0003450600000000, -0.0011439200000000, -0.0005927200000000 ] - [ -0.0001669200000000, -0.0003835700000000, -0.0007626400000000 ] - [ -0.0001130400000000, 0.0001532900000000, -0.0007014900000000 ] - [ 0.0008181300000000, 0.0008707900000000, -0.0005927200000000 ] - [ 0.0009782600000000, -0.0015191600000000, -0.0029267000000000 ] - [ 0.0002113800000000, 0.0002626200000000, -0.0012359300000000 ] - [ -0.0001034500000000, 0.0002407400000000, 0.0005536700000000 ] - [ -0.0000150800000000, -0.0001235100000000, -0.0005058000000000 ] - [ 0.0003180000000000, -0.0001020500000000, -0.0007012800000000 ] - [ -0.0004237800000000, -0.0004111100000000, 0.0000509900000000 ] - [ 0.0005679200000000, -0.0001614500000000, 0.0000509900000000 ] - [ 0.0005597000000000, 0.0002621700000000, 0.0000938100000000 ] - [ -0.0021317900000000, -0.0018832400000000, 0.0024683700000000 ] - [ -0.0016116800000000, 0.0028050100000000, 0.0026146600000000 ] - [ 0.0002187200000000, -0.0000118300000000, -0.0001820100000000 ] - [ -0.0002644700000000, 0.0001053400000000, 0.0013316600000000 ] - [ 0.0001293300000000, -0.0000762700000000, -0.0004025300000000 ] - [ -0.0000650400000000, -0.0000227700000000, -0.0004956900000000 ] - [ -0.0005298800000000, -0.0029465400000000, 0.0025713700000000 ] - [ -0.0016233700000000, -0.0027982600000000, 0.0026146600000000 ] - [ -0.0001195500000000, -0.0002680400000000, 0.0007954800000000 ] - [ -0.0001163500000000, -0.0000653200000000, -0.0004557300000000 ] - [ 0.0000013800000000, 0.0001501400000000, -0.0004025300000000 ] - [ 0.0000016100000000, 0.0001334300000000, -0.0004557300000000 ] - [ 0.0003832100000000, 0.0011453000000000, -0.0005648800000000 ] - [ 0.0004156400000000, 0.0000472300000000, -0.0007626400000000 ] - [ 0.0001145100000000, 0.0000486900000000, -0.0005058000000000 ] - [ 0.0001147500000000, -0.0000681000000000, -0.0004557300000000 ] - [ -0.0003331300000000, 0.0000517500000000, -0.0012359300000000 ] - [ 0.0008265000000000, 0.0016067700000000, -0.0029267000000000 ] - [ -0.0011834600000000, -0.0002407800000000, -0.0005648800000000 ] - [ -0.0000706200000000, 0.0003264200000000, -0.0007012800000000 ] - [ 0.0008002500000000, -0.0009045200000000, -0.0005648800000000 ] - [ -0.0000762400000000, -0.0001745400000000, -0.0007014900000000 ] - [ -0.0001567600000000, -0.0002099600000000, 0.0005536700000000 ] - [ -0.0018047600000000, -0.0000876200000000, -0.0029267000000000 ] - [ 0.0002919000000000, 0.0000304900000000, 0.0007954800000000 ] - [ -0.0000991200000000, 0.0001953300000000, -0.0001820100000000 ] - [ 0.0002234600000000, 0.0001763600000000, 0.0013316600000000 ] - [ 0.0003915100000000, -0.0001236000000000, -0.0007542000000000 ] - [ 0.0002602200000000, -0.0000307800000000, 0.0005536700000000 ] - [ 0.0026968200000000, -0.0009045600000000, 0.0024683700000000 ] - [ 0.0000410100000000, -0.0002817000000000, 0.0013316600000000 ] - [ -0.0001723600000000, 0.0002375500000000, 0.0007954800000000 ] - [ -0.0000994200000000, 0.0000748200000000, -0.0005058000000000 ] - [ -0.0001307200000000, -0.0000738700000000, -0.0004025300000000 ] - [ -0.0005069000000000, 0.0003536200000000, 0.0000938100000000 ] - [ 0.0001217400000000, -0.0003143700000000, -0.0012359300000000 ] - [ 0.0000128000000000, 0.0000677100000000, -0.0004956900000000 ] - [ -0.0005650400000000, 0.0027878000000000, 0.0024683700000000 ] - [ -0.0001196000000000, -0.0001835000000000, -0.0001820100000000 ] - [ -0.0003028000000000, -0.0002772600000000, -0.0007542000000000 ] - [ -0.0022868400000000, 0.0019321600000000, 0.0025713700000000 ] - [ 0.0028167200000000, 0.0010143800000000, 0.0025713700000000 ] - [ 0.0032350500000000, -0.0000067500000000, 0.0026146600000000 ] - [ -0.0002473800000000, -0.0002243600000000, -0.0007012800000000 ] - [ 0.0001892700000000, 0.0000212500000000, -0.0007014900000000 ] - [ 0.0001529600000000, 0.0001511900000000, -0.0017669900000000 ] - [ 0.0023899500000000, 0.0000848200000000, -0.0013987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082451200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027416200000000 ] - [ 0.0025214700000000, -0.0035145200000000, 0.0061874200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3180100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013450300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000145400000000 ] - [ 0.0007936400000000, 0.0001913300000000, -0.0023338600000000 ] - [ -0.0005625200000000, 0.0005916400000000, -0.0023338600000000 ] - [ 0.0017829300000000, 0.0039409200000000, 0.0061874200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006875300000000 ] - [ -0.0002311200000000, -0.0007829800000000, -0.0023338600000000 ] - [ 0.0000544500000000, -0.0002080600000000, -0.0017669900000000 ] - [ -0.0002074100000000, 0.0000568800000000, -0.0017669900000000 ] - [ -0.0043044000000000, -0.0004264000000000, 0.0061874200000000 ] - [ -0.0011215200000000, -0.0021121700000000, -0.0013987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032752300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026408900000000 ] - [ -0.0012684300000000, 0.0020273500000000, -0.0013987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004543400000000 ] - [ -0.0000970500000000, 0.0000036400000000, -0.0008865100000000 ] - [ -0.0013040200000000, -0.0001819400000000, 0.0010596800000000 ] - [ 0.0004756000000000, 0.0000956400000000, 0.0009320000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017862400000000 ] - [ 0.0002646100000000, 0.0004610000000000, 0.0032873100000000 ] - [ -0.0010063400000000, 0.0028299300000000, -0.0015665500000000 ] - [ -0.0019476200000000, -0.0022864900000000, -0.0015665500000000 ] - [ -0.0004399500000000, -0.0010180000000000, -0.0013691900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018010900000000 ] - [ 0.0001114900000000, -0.0000845500000000, 0.0016156700000000 ] - [ -0.0004153500000000, 0.0004996100000000, 0.0009268400000000 ] - [ 0.0007601800000000, -0.0000005300000000, 0.0010517900000000 ] - [ 0.0153407100000000, 0.0001877000000000, 0.0237621500000000 ] - [ -0.0000465500000000, -0.0000037100000000, -0.0001762900000000 ] - [ 0.0001962600000000, -0.0000823000000000, 0.0012617400000000 ] - [ -0.0005315500000000, -0.0000013400000000, 0.0032873100000000 ] - [ 0.0005875900000000, 0.0011630600000000, -0.0015440200000000 ] - [ 0.0000516800000000, 0.0000822200000000, -0.0008865100000000 ] - [ 0.0002076800000000, -0.0003015600000000, 0.0007110000000000 ] - [ 0.0006403500000000, 0.0001099000000000, 0.0009268400000000 ] - [ 0.0000535700000000, 0.0000144600000000, 0.0000567000000000 ] - [ -0.0001342100000000, -0.0001317700000000, -0.0042369000000000 ] - [ 0.0028846100000000, 0.0006030800000000, -0.0017757900000000 ] - [ 0.0000174800000000, 0.0001388300000000, 0.0016156700000000 ] - [ -0.0014131700000000, 0.0000661500000000, 0.0005949600000000 ] - [ -0.0001694000000000, -0.0001288100000000, 0.0012617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005995400000000 ] - [ -0.0000491400000000, 0.0004981500000000, 0.0009134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4025841300000000 ] - [ 0.0007638700000000, 0.0011907600000000, 0.0005949600000000 ] - [ 0.0000453700000000, -0.0000858700000000, -0.0008865100000000 ] - [ 0.0002688700000000, -0.0002929700000000, 0.0006272900000000 ] - [ 0.0002669400000000, -0.0004596600000000, 0.0032873100000000 ] - [ 0.0001573200000000, 0.0003306400000000, 0.0007110000000000 ] - [ 0.0001540300000000, 0.0002922000000000, 0.0004149800000000 ] - [ 0.0011015900000000, 0.0001279900000000, -0.0013691900000000 ] - [ -0.0001549700000000, -0.0004597100000000, 0.0009320000000000 ] - [ 0.0002598300000000, 0.0003598400000000, 0.0009064500000000 ] - [ 0.0029539600000000, -0.0005434400000000, -0.0015665500000000 ] - [ 0.0001208100000000, 0.0002124200000000, 0.0011997300000000 ] - [ 0.0000200600000000, 0.0000421700000000, -0.0001762900000000 ] - [ -0.0003206300000000, 0.0003640600000000, 0.0009320000000000 ] - [ 0.0008095700000000, -0.0010383500000000, 0.0010596800000000 ] - [ -0.0003650000000000, -0.0000290800000000, 0.0007110000000000 ] - [ -0.0009200200000000, -0.0027996800000000, -0.0017757900000000 ] - [ -0.0011968500000000, -0.0001479000000000, 0.0000652500000000 ] - [ -0.0003796300000000, 0.0006586000000000, 0.0010517900000000 ] - [ -0.0000470100000000, 0.0001821100000000, -0.0042369000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025518200000000 ] - [ 0.0001812200000000, -0.0000503400000000, -0.0042369000000000 ] - [ 0.0000684200000000, -0.0001267800000000, 0.0008322400000000 ] - [ -0.0019645800000000, 0.0021966000000000, -0.0017757900000000 ] - [ 0.0001192800000000, 0.0003793300000000, 0.0006272900000000 ] - [ -0.0002443600000000, -0.0000015900000000, 0.0011997300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039841200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007628000000000 ] - [ -0.0003805500000000, -0.0006580700000000, 0.0010517900000000 ] - [ -0.0000142600000000, -0.0000536200000000, 0.0000567000000000 ] - [ 0.0007265100000000, -0.0009625600000000, 0.0000652500000000 ] - [ -0.0002250000000000, -0.0006095100000000, 0.0009268400000000 ] - [ -0.0000393100000000, 0.0000391600000000, 0.0000567000000000 ] - [ -0.0003881500000000, -0.0000863700000000, 0.0006272900000000 ] - [ 0.0001817200000000, -0.0004049300000000, 0.0009064500000000 ] - [ -0.0000268600000000, 0.0002111100000000, 0.0012617400000000 ] - [ 0.0006493000000000, -0.0012569100000000, 0.0005949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013590300000000 ] - [ -0.0078329000000000, 0.0131915900000000, 0.0237621500000000 ] - [ -0.0075078000000000, -0.0133792900000000, 0.0237621500000000 ] - [ 0.0001760400000000, -0.0002794900000000, 0.0004149800000000 ] - [ 0.0000264900000000, -0.0000384600000000, -0.0001762900000000 ] - [ -0.0013010300000000, -0.0000726700000000, -0.0015440200000000 ] - [ -0.0006616400000000, 0.0008900100000000, -0.0013691900000000 ] - [ 0.0007134500000000, -0.0010904000000000, -0.0015440200000000 ] - [ 0.0000755900000000, 0.0001226500000000, 0.0008322400000000 ] - [ 0.0004559800000000, -0.0002065200000000, 0.0009134500000000 ] - [ 0.0001235600000000, -0.0002108300000000, 0.0011997300000000 ] - [ -0.0001289700000000, -0.0000542800000000, 0.0016156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004416200000000 ] - [ -0.0003300700000000, -0.0000127100000000, 0.0004149800000000 ] - [ 0.0004703400000000, 0.0011104500000000, 0.0000652500000000 ] - [ -0.0001440100000000, 0.0000041300000000, 0.0008322400000000 ] - [ -0.0004068400000000, -0.0002916300000000, 0.0009134500000000 ] - [ -0.0004415400000000, 0.0000451000000000, 0.0009064500000000 ] - [ 0.0004944500000000, 0.0012202900000000, 0.0010596800000000 ] - [ -0.0000188500000000, -0.0000470200000000, -0.0025081100000000 ] - [ -0.0000486100000000, -0.0001384500000000, 0.0008086700000000 ] - [ 0.0005469300000000, 0.0000284400000000, 0.0006135000000000 ] - [ -0.0002635500000000, -0.0000668400000000, 0.0008399000000000 ] - [ -0.0009905700000000, -0.0018656500000000, -0.0000787500000000 ] - [ -0.0002981000000000, 0.0004594400000000, 0.0006135000000000 ] - [ -0.0011204200000000, 0.0017906900000000, -0.0000787500000000 ] - [ 0.0000738900000000, 0.0002616600000000, 0.0008399000000000 ] - [ 0.0000501500000000, 0.0000071900000000, -0.0025081100000000 ] - [ -0.0010623200000000, -0.0000486100000000, -0.0003532700000000 ] - [ -0.0000313000000000, 0.0000398300000000, -0.0025081100000000 ] - [ 0.0021109900000000, 0.0000749700000000, -0.0000787500000000 ] - [ 0.0005732600000000, -0.0008956900000000, -0.0003532700000000 ] - [ 0.0001896600000000, -0.0001948200000000, 0.0008399000000000 ] - [ 0.0004890600000000, 0.0009443000000000, -0.0003532700000000 ] - [ 0.0001442100000000, 0.0000271300000000, 0.0008086700000000 ] - [ -0.0002488400000000, -0.0004878800000000, 0.0006135000000000 ] - [ -0.0000956000000000, 0.0001113200000000, 0.0008086700000000 ]- atom: 116 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001402600000000, 0.0000219800000000, 0.0011875600000000 ] - [ 0.0000203500000000, -0.0003600100000000, 0.0002879400000000 ] - [ -0.0001124300000000, 0.0001490000000000, 0.0007740300000000 ] - [ 0.0000767100000000, 0.0003324700000000, 0.0001532000000000 ] - [ -0.0000067200000000, 0.0001064000000000, 0.0003234200000000 ] - [ 0.0009423100000000, -0.0006655300000000, 0.0005866600000000 ] - [ 0.0001052100000000, 0.0011488300000000, 0.0005866600000000 ] - [ -0.0000887800000000, -0.0000590200000000, 0.0003234200000000 ] - [ -0.0000210300000000, 0.0000789600000000, 0.0008244200000000 ] - [ -0.0010475200000000, -0.0004833000000000, 0.0005866600000000 ] - [ -0.0009577800000000, 0.0018104100000000, 0.0031900600000000 ] - [ -0.0003413400000000, -0.0006937100000000, 0.0009837900000000 ] - [ -0.0000855200000000, -0.0006657200000000, -0.0011430300000000 ] - [ 0.0000397800000000, -0.0000373400000000, 0.0010068900000000 ] - [ 0.0001199800000000, -0.0000009100000000, 0.0004488000000000 ] - [ 0.0003016000000000, 0.0001976300000000, 0.0002879400000000 ] - [ -0.0003219500000000, 0.0001623800000000, 0.0002879400000000 ] - [ -0.0003262800000000, -0.0000998000000000, 0.0001532000000000 ] - [ 0.0021019400000000, 0.0021900900000000, -0.0023793300000000 ] - [ 0.0015096300000000, -0.0025306000000000, -0.0031301500000000 ] - [ 0.0002318100000000, 0.0000068900000000, 0.0001750800000000 ] - [ 0.0005407300000000, 0.0000144700000000, -0.0012281900000000 ] - [ -0.0000788600000000, -0.0003478900000000, 0.0008343000000000 ] - [ 0.0001852500000000, 0.0000228700000000, 0.0007740300000000 ] - [ 0.0008155600000000, 0.0029550000000000, -0.0020034800000000 ] - [ 0.0014367500000000, 0.0025726800000000, -0.0031301500000000 ] - [ 0.0000048100000000, 0.0004693900000000, -0.0011341200000000 ] - [ -0.0000354200000000, 0.0000063600000000, 0.0009566900000000 ] - [ 0.0003407200000000, 0.0001056500000000, 0.0008343000000000 ] - [ 0.0000232200000000, 0.0000275000000000, 0.0009566900000000 ] - [ 0.0003675900000000, -0.0011454700000000, 0.0006085800000000 ] - [ 0.0000955000000000, -0.0000473800000000, 0.0003234200000000 ] - [ 0.0000124500000000, 0.0000531200000000, 0.0010068900000000 ] - [ 0.0000122100000000, -0.0000338600000000, 0.0009566900000000 ] - [ 0.0007714400000000, 0.0000512500000000, 0.0009837900000000 ] - [ -0.0010889700000000, -0.0017346700000000, 0.0031900600000000 ] - [ 0.0008082100000000, 0.0008910800000000, 0.0006085800000000 ] - [ -0.0000592000000000, 0.0001043600000000, 0.0004488000000000 ] - [ -0.0011758000000000, 0.0002543900000000, 0.0006085800000000 ] - [ -0.0000578600000000, -0.0000576900000000, 0.0008244200000000 ] - [ 0.0006192900000000, 0.0002588000000000, -0.0011430300000000 ] - [ 0.0020467500000000, -0.0000757500000000, 0.0031900600000000 ] - [ -0.0004089100000000, -0.0002305300000000, -0.0011341200000000 ] - [ -0.0001218800000000, 0.0001973100000000, 0.0001750800000000 ] - [ -0.0002578400000000, -0.0004755200000000, -0.0012281900000000 ] - [ -0.0000510900000000, -0.0001324600000000, 0.0011875600000000 ] - [ -0.0005337800000000, 0.0004069200000000, -0.0011430300000000 ] - [ -0.0029476500000000, 0.0007252900000000, -0.0023793300000000 ] - [ -0.0002828900000000, 0.0004610600000000, -0.0012281900000000 ] - [ 0.0004041000000000, -0.0002388600000000, -0.0011341200000000 ] - [ -0.0000522300000000, -0.0000157800000000, 0.0010068900000000 ] - [ -0.0002618500000000, 0.0002422400000000, 0.0008343000000000 ] - [ 0.0002495700000000, -0.0002326700000000, 0.0001532000000000 ] - [ -0.0004301000000000, 0.0006424600000000, 0.0009837900000000 ] - [ -0.0000728200000000, -0.0001718700000000, 0.0007740300000000 ] - [ 0.0008457100000000, -0.0029153800000000, -0.0023793300000000 ] - [ -0.0001099400000000, -0.0002042000000000, 0.0001750800000000 ] - [ -0.0000891600000000, 0.0001104800000000, 0.0011875600000000 ] - [ 0.0021513300000000, -0.0021837900000000, -0.0020034800000000 ] - [ -0.0029668800000000, -0.0007712100000000, -0.0020034800000000 ] - [ -0.0029463800000000, -0.0000420800000000, -0.0031301500000000 ] - [ -0.0000607800000000, -0.0001034500000000, 0.0004488000000000 ] - [ 0.0000789000000000, -0.0000212600000000, 0.0008244200000000 ] - [ -0.0000999600000000, -0.0002447700000000, 0.0023662200000000 ] - [ -0.0024688300000000, 0.0000294200000000, 0.0016407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0084060100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037474600000000 ] - [ -0.0022560700000000, 0.0040282600000000, -0.0063020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3430892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022515000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006876700000000 ] - [ -0.0005597400000000, 0.0002136000000000, 0.0018719300000000 ] - [ 0.0000948900000000, -0.0005915500000000, 0.0018719300000000 ] - [ -0.0023605400000000, -0.0039679500000000, -0.0063020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008593900000000 ] - [ 0.0004648500000000, 0.0003779500000000, 0.0018719300000000 ] - [ -0.0001620000000000, 0.0002089600000000, 0.0023662200000000 ] - [ 0.0002619600000000, 0.0000358200000000, 0.0023662200000000 ] - [ 0.0046166100000000, -0.0000603200000000, -0.0063020800000000 ] - [ 0.0012598900000000, 0.0021233600000000, 0.0016407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026924500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019545700000000 ] - [ 0.0012089400000000, -0.0021527800000000, 0.0016407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003550900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019328800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001269100000000 ] - [ 0.0002119900000000, -0.0002018900000000, 0.0011461700000000 ] - [ 0.0017314800000000, 0.0003570700000000, -0.0005098400000000 ] - [ 0.0001481700000000, -0.0000961500000000, -0.0005129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007296300000000 ] - [ -0.0000619800000000, -0.0001788600000000, -0.0039325000000000 ] - [ 0.0011653500000000, -0.0025746400000000, 0.0014699500000000 ] - [ 0.0016470300000000, 0.0022965400000000, 0.0014699500000000 ] - [ 0.0007126000000000, 0.0011733300000000, 0.0008703100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009971100000000 ] - [ -0.0000260400000000, 0.0000844400000000, -0.0011742700000000 ] - [ -0.0000797000000000, -0.0001259100000000, -0.0005586700000000 ] - [ 0.0003431800000000, 0.0000005700000000, -0.0002549900000000 ] - [ -0.0174952600000000, -0.0002421600000000, -0.0252828700000000 ] - [ 0.0002460900000000, -0.0002723000000000, -0.0004759200000000 ] - [ -0.0002869000000000, -0.0000724800000000, -0.0014615800000000 ] - [ 0.0001858900000000, 0.0000357500000000, -0.0039325000000000 ] - [ 0.0002816300000000, 0.0002462800000000, 0.0005850800000000 ] - [ -0.0002808400000000, -0.0000826400000000, 0.0011461700000000 ] - [ 0.0000674600000000, 0.0007539400000000, -0.0009596200000000 ] - [ -0.0000692000000000, 0.0001319800000000, -0.0005586700000000 ] - [ -0.0001770900000000, 0.0001992700000000, -0.0000527200000000 ] - [ 0.0000031600000000, -0.0001096800000000, 0.0038831100000000 ] - [ -0.0029057500000000, -0.0002999800000000, 0.0012735500000000 ] - [ -0.0000601000000000, -0.0000647700000000, -0.0011742700000000 ] - [ 0.0016448900000000, -0.0004550500000000, -0.0009294000000000 ] - [ 0.0000806800000000, 0.0002847000000000, -0.0014615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006358500000000 ] - [ -0.0000281100000000, 0.0001181600000000, -0.0005449700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4297442500000000 ] - [ -0.0012165300000000, -0.0011969900000000, -0.0009294000000000 ] - [ 0.0000688500000000, 0.0002845300000000, 0.0011461700000000 ] - [ -0.0004799200000000, 0.0002928300000000, -0.0009637700000000 ] - [ -0.0001239000000000, 0.0001431100000000, -0.0039325000000000 ] - [ -0.0006866600000000, -0.0003185500000000, -0.0009596200000000 ] - [ 0.0001003000000000, 0.0001722000000000, -0.0006635300000000 ] - [ -0.0013724300000000, 0.0000304700000000, 0.0008703100000000 ] - [ -0.0001573600000000, -0.0000802500000000, -0.0005129500000000 ] - [ -0.0001337300000000, -0.0003617500000000, -0.0014249300000000 ] - [ -0.0028123800000000, 0.0002781000000000, 0.0014699500000000 ] - [ -0.0002011000000000, -0.0003595600000000, -0.0008874600000000 ] - [ -0.0003588600000000, -0.0000769700000000, -0.0004759200000000 ] - [ 0.0000091800000000, 0.0001764000000000, -0.0005129500000000 ] - [ -0.0011749700000000, 0.0013209700000000, -0.0005098400000000 ] - [ 0.0006192000000000, -0.0004353900000000, -0.0009596200000000 ] - [ 0.0011930800000000, 0.0026664400000000, 0.0012735500000000 ] - [ 0.0008429800000000, -0.0001285100000000, 0.0004901300000000 ] - [ -0.0001720800000000, 0.0002969200000000, -0.0002549900000000 ] - [ -0.0000965600000000, 0.0000521000000000, 0.0038831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014958000000000 ] - [ 0.0000934000000000, 0.0000575700000000, 0.0038831100000000 ] - [ -0.0001480500000000, 0.0002727200000000, -0.0005190100000000 ] - [ 0.0017126600000000, -0.0023664600000000, 0.0012735500000000 ] - [ -0.0000136400000000, -0.0005620400000000, -0.0009637700000000 ] - [ 0.0004119400000000, 0.0000056300000000, -0.0008874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040174400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016375700000000 ] - [ -0.0001711000000000, -0.0002974900000000, -0.0002549900000000 ] - [ 0.0002611200000000, 0.0000537300000000, -0.0000527200000000 ] - [ -0.0003102000000000, 0.0007943000000000, 0.0004901300000000 ] - [ 0.0001488900000000, -0.0000060600000000, -0.0005586700000000 ] - [ -0.0000840300000000, -0.0002530000000000, -0.0000527200000000 ] - [ 0.0004935600000000, 0.0002692100000000, -0.0009637700000000 ] - [ -0.0002464200000000, 0.0002966900000000, -0.0014249300000000 ] - [ 0.0002062200000000, -0.0002122300000000, -0.0014615800000000 ] - [ -0.0004283500000000, 0.0016520400000000, -0.0009294000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029931200000000 ] - [ 0.0089573500000000, -0.0150302600000000, -0.0252828700000000 ] - [ 0.0085379100000000, 0.0152724200000000, -0.0252828700000000 ] - [ 0.0000989800000000, -0.0001729700000000, -0.0006635300000000 ] - [ 0.0001127700000000, 0.0003492700000000, -0.0004759200000000 ] - [ -0.0003541000000000, 0.0001207600000000, 0.0005850800000000 ] - [ 0.0006598300000000, -0.0012037900000000, 0.0008703100000000 ] - [ 0.0000724700000000, -0.0003670400000000, 0.0005850800000000 ] - [ -0.0001621600000000, -0.0002645800000000, -0.0005190100000000 ] - [ 0.0001163800000000, -0.0000347400000000, -0.0005449700000000 ] - [ -0.0002108400000000, 0.0003539400000000, -0.0008874600000000 ] - [ 0.0000861500000000, -0.0000196600000000, -0.0011742700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003610400000000 ] - [ -0.0001992800000000, 0.0000007600000000, -0.0006635300000000 ] - [ -0.0005327800000000, -0.0006657900000000, 0.0004901300000000 ] - [ 0.0003102100000000, -0.0000081500000000, -0.0005190100000000 ] - [ -0.0000882700000000, -0.0000834200000000, -0.0005449700000000 ] - [ 0.0003801500000000, 0.0000650700000000, -0.0014249300000000 ] - [ -0.0005565100000000, -0.0016780400000000, -0.0005098400000000 ] - [ 0.0000622700000000, -0.0000376800000000, 0.0024702800000000 ] - [ -0.0000695700000000, -0.0000657600000000, -0.0006148700000000 ] - [ -0.0005430200000000, -0.0000351100000000, -0.0004588400000000 ] - [ -0.0001975700000000, 0.0000666900000000, -0.0005065000000000 ] - [ 0.0010246500000000, 0.0018318800000000, 0.0001122000000000 ] - [ 0.0003019200000000, -0.0004527200000000, -0.0004588400000000 ] - [ 0.0010741300000000, -0.0018033100000000, 0.0001122000000000 ] - [ 0.0001565300000000, 0.0001377500000000, -0.0005065000000000 ] - [ 0.0000015000000000, 0.0000727700000000, 0.0024702800000000 ] - [ 0.0010745100000000, 0.0000664300000000, -0.0003573200000000 ] - [ -0.0000637700000000, -0.0000350900000000, 0.0024702800000000 ] - [ -0.0020987800000000, -0.0000285700000000, 0.0001122000000000 ] - [ -0.0005947900000000, 0.0008973400000000, -0.0003573200000000 ] - [ 0.0000410300000000, -0.0002044400000000, -0.0005065000000000 ] - [ -0.0004797200000000, -0.0009637700000000, -0.0003573200000000 ] - [ 0.0000917400000000, -0.0000273700000000, -0.0006148700000000 ] - [ 0.0002411000000000, 0.0004878300000000, -0.0004588400000000 ] - [ -0.0000221600000000, 0.0000931300000000, -0.0006148700000000 ]- atom: 119 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0001561200000000, -0.0000326600000000, 0.0001522100000000 ] - [ -0.0000267300000000, 0.0001024000000000, 0.0002252300000000 ] - [ 0.0000519000000000, 0.0001779700000000, 0.0003054200000000 ] - [ -0.0000265400000000, -0.0001410600000000, 0.0002266700000000 ] - [ 0.0002389500000000, 0.0009453900000000, -0.0004688000000000 ] - [ -0.0011005900000000, 0.0003236800000000, 0.0000157200000000 ] - [ 0.0007992500000000, -0.0006127800000000, -0.0002843500000000 ] - [ 0.0035699500000000, -0.0013115900000000, -0.0001421700000000 ] - [ -0.0003798200000000, 0.0000496300000000, -0.0000122700000000 ] - [ 0.0008977200000000, -0.0000940400000000, 0.0005273600000000 ] - [ -0.0000508300000000, 0.0002128900000000, 0.0002231800000000 ] - [ -0.0038944700000000, 0.0047939300000000, 0.0004551100000000 ] - [ -0.0002868000000000, 0.0000226400000000, -0.0004733200000000 ] - [ -0.0000114900000000, 0.0013932600000000, 0.0005977700000000 ] - [ -0.0004434400000000, -0.0037234000000000, 0.0001206200000000 ] - [ -0.0000271500000000, -0.0000877200000000, 0.0002244900000000 ] - [ 0.0001531500000000, 0.0000211000000000, 0.0002720900000000 ] - [ 0.0000974300000000, 0.0000890500000000, 0.0001771400000000 ] - [ 0.0000528300000000, 0.0001165000000000, 0.0001660100000000 ] - [ -0.0003839000000000, 0.0004345600000000, 0.0001801200000000 ] - [ 0.0002664400000000, -0.0000684800000000, -0.0000165400000000 ] - [ 0.0001357800000000, 0.0000538700000000, 0.0001111400000000 ] - [ -0.0000139000000000, -0.0002580200000000, 0.0002900400000000 ] - [ 0.0002398900000000, 0.0000395000000000, 0.0001130800000000 ] - [ 0.0000681100000000, 0.0000544100000000, 0.0004006100000000 ] - [ -0.0001751500000000, -0.0004286500000000, -0.0000234400000000 ] - [ 0.0001334800000000, 0.0000635700000000, -0.0002165400000000 ] - [ 0.0001963500000000, 0.0004628100000000, -0.0001904300000000 ] - [ 0.0001590900000000, -0.0000120900000000, 0.0004230700000000 ] - [ 0.0003603500000000, -0.0009164600000000, 0.0022987500000000 ] - [ -0.0011338300000000, 0.0024681300000000, 0.0017955000000000 ] - [ 0.0017046100000000, 0.0002325200000000, -0.0002789600000000 ] - [ 0.0005441700000000, -0.0004363600000000, 0.0004907800000000 ] - [ 0.0002130000000000, 0.0000017100000000, 0.0002085500000000 ] - [ -0.0013898400000000, -0.0007354200000000, -0.0004558800000000 ] - [ -0.0001365000000000, -0.0001010600000000, 0.0001759100000000 ] - [ -0.0006172800000000, 0.0000742200000000, 0.0000091300000000 ] - [ 0.0006997900000000, 0.0044924800000000, -0.0004875900000000 ] - [ 0.0000926500000000, -0.0011253000000000, -0.0001487100000000 ] - [ 0.0000898700000000, -0.0008372900000000, 0.0002353000000000 ] - [ 0.0001214200000000, 0.0000839700000000, -0.0003483700000000 ] - [ 0.0001539600000000, -0.0001147700000000, 0.0001704700000000 ] - [ 0.0001123900000000, -0.0000415800000000, -0.0001652800000000 ] - [ 0.0001076800000000, -0.0003067200000000, -0.0032595300000000 ] - [ 0.0000163600000000, -0.0000998400000000, 0.0001450900000000 ] - [ -0.0000506400000000, -0.0000086600000000, 0.0001284100000000 ] - [ -0.0001207300000000, 0.0000338600000000, -0.0003968600000000 ] - [ -0.0001622900000000, -0.0000497900000000, 0.0001231600000000 ] - [ -0.0001359700000000, 0.0001167600000000, 0.0000684200000000 ] - [ 0.0000458000000000, 0.0001427800000000, -0.0003365600000000 ] - [ 0.0007081500000000, -0.0001559200000000, -0.0004290000000000 ] - [ -0.0003492300000000, 0.0002091400000000, 0.0002085900000000 ] - [ -0.0001272300000000, 0.0000275200000000, 0.0001725300000000 ] - [ 0.0005001300000000, -0.0012198000000000, -0.0003004400000000 ] - [ 0.0000940000000000, -0.0001450700000000, 0.0003847200000000 ] - [ 0.0001783600000000, -0.0000986700000000, 0.0000893600000000 ] - [ 0.0003306300000000, 0.0004524800000000, 0.0002961100000000 ] - [ -0.0002429300000000, 0.0000459100000000, -0.0000780100000000 ] - [ -0.0000510100000000, -0.0001870600000000, 0.0003210400000000 ] - [ -0.0001006300000000, 0.0001034000000000, 0.0003533100000000 ] - [ 0.0004602400000000, -0.0002118900000000, 0.0000255900000000 ] - [ -0.0003445100000000, -0.0003870100000000, -0.0001730000000000 ] - [ -0.0012683000000000, 0.0014908000000000, -0.0025566500000000 ] - [ 0.0001523000000000, -0.0000946200000000, 0.0003362900000000 ] - [ -0.0000587000000000, 0.0001033700000000, 0.0002969600000000 ] - [ 0.0011341700000000, -0.0034246600000000, 0.0039451700000000 ] - [ -0.0000677000000000, 0.0000206600000000, -0.0005361700000000 ] - [ 0.0004612600000000, -0.0003161500000000, -0.0003214900000000 ] - [ -0.0000193200000000, -0.0000561000000000, 0.0000621700000000 ] - [ 0.0020833200000000, 0.0006751800000000, 0.0015386300000000 ] - [ 0.0023113200000000, 0.0020884500000000, -0.0011906200000000 ] - [ 0.0014181100000000, -0.0023095400000000, -0.0007564000000000 ] - [ -0.1678586900000000, 0.0751905600000000, -0.0383394100000000 ] - [ 0.0001643000000000, 0.0003429800000000, 0.0006650500000000 ] - [ -0.0015661300000000, -0.0009910700000000, -0.0017181200000000 ] - [ 0.0013981900000000, 0.0001621200000000, -0.0004705900000000 ] - [ -0.0008207600000000, 0.0002795600000000, 0.0011195200000000 ] - [ 0.0003645100000000, -0.0002915100000000, 0.0002842900000000 ] - [ -0.0002110700000000, -0.0002483100000000, 0.0001014600000000 ] - [ 0.0000410300000000, 0.0000514300000000, 0.0001855100000000 ] - [ -0.0021905000000000, -0.0000353300000000, 0.0004440400000000 ] - [ -0.0018740000000000, -0.0038809200000000, -0.0021814300000000 ] - [ 0.0001068900000000, 0.0000418300000000, 0.0004574400000000 ] - [ 0.0000182700000000, -0.0001566700000000, 0.0003369200000000 ] - [ 0.0000285200000000, 0.0000134300000000, -0.0001933500000000 ] - [ 0.0000197700000000, -0.0000090900000000, -0.0000644500000000 ] - [ -0.0000742000000000, -0.0000116600000000, 0.0000688100000000 ] - [ -0.0000012600000000, -0.0000905600000000, 0.0000973700000000 ] - [ 0.0002307600000000, 0.0000731400000000, 0.0002022900000000 ] - [ 0.0007716800000000, -0.0001516200000000, 0.0001243900000000 ] - [ 0.0004011700000000, -0.0000512800000000, 0.0001554400000000 ] - [ 0.0005883200000000, 0.0019271300000000, -0.0013901100000000 ] - [ -0.0000058100000000, 0.0004178600000000, 0.0000049600000000 ] - [ -0.0003615200000000, -0.0002221400000000, -0.0005508800000000 ] - [ -0.0000256200000000, -0.0001416700000000, -0.0004003100000000 ] - [ -0.0000251500000000, -0.0000090800000000, -0.0005073200000000 ] - [ -0.0031498800000000, -0.0145112800000000, -0.0080521900000000 ] - [ -0.0000066400000000, -0.0000387900000000, -0.0003403500000000 ] - [ -0.0008313700000000, -0.0001060900000000, 0.0001232600000000 ] - [ -0.0009149200000000, 0.0000033400000000, -0.0006350000000000 ] - [ 0.0001502000000000, 0.0003475700000000, 0.0000800200000000 ] - [ -0.0001061600000000, -0.0000120900000000, -0.0001053700000000 ] - [ -0.0012344600000000, 0.0006533100000000, -0.0012299200000000 ] - [ 0.0004637600000000, 0.0006822100000000, -0.0004980800000000 ] - [ -0.0001457200000000, -0.0000253400000000, 0.0001247100000000 ] - [ 0.0180625600000000, -0.0083268700000000, -0.0002958800000000 ] - [ 0.0000866800000000, 0.0001668900000000, 0.0001185400000000 ] - [ -0.0004342500000000, -0.0004014400000000, 0.0001727400000000 ] - [ -0.0001240600000000, -0.0000104300000000, -0.0000636900000000 ] - [ 0.0002211400000000, 0.0001441800000000, -0.0003536700000000 ] - [ -0.0002945500000000, -0.0000019500000000, 0.0003946500000000 ] - [ 0.0001559500000000, -0.0002318000000000, -0.0002372000000000 ] - [ -0.0000756800000000, 0.0000777000000000, -0.0001344200000000 ] - [ 0.0010189400000000, 0.0008011500000000, 0.0011481400000000 ] - [ -0.0002737000000000, 0.0004816400000000, 0.0003378200000000 ] - [ -0.0000006000000000, 0.0000565000000000, 0.0003701000000000 ] - [ -0.0001941600000000, -0.0000234500000000, -0.0002185400000000 ] - [ -0.0000094100000000, 0.0000510600000000, 0.0000805100000000 ] - [ 0.2123717600000000, -0.0716733600000000, 0.0520021400000000 ] - [ 0.0000817900000000, 0.0017154600000000, -0.0020115600000000 ] - [ -0.0012444800000000, 0.0003145500000000, -0.0001251000000000 ] - [ -0.0004720500000000, -0.0004510400000000, 0.0000006500000000 ] - [ 0.0000258700000000, 0.0000908000000000, -0.0002047500000000 ] - [ -0.0002469100000000, -0.0000894600000000, 0.0001940200000000 ] - [ 0.0000803700000000, -0.0000261200000000, -0.0002690500000000 ] - [ 0.0002741400000000, -0.0001499100000000, -0.0001451700000000 ] - [ 0.0004073000000000, 0.0027198400000000, 0.0026972300000000 ] - [ 0.0008707400000000, -0.0000742900000000, 0.0001426900000000 ] - [ -0.0001229500000000, 0.0003274500000000, 0.0002358700000000 ] - [ -0.0002520300000000, 0.0001667100000000, 0.0002015900000000 ] - [ -0.0013530700000000, 0.0012497000000000, 0.0002735400000000 ] - [ -0.0000065400000000, -0.0002130200000000, -0.0005662400000000 ] - [ -0.0001912700000000, -0.0001387700000000, 0.0002178200000000 ] - [ -0.0008177500000000, 0.0002332400000000, 0.0001546600000000 ] - [ -0.0000096700000000, 0.0001207800000000, -0.0002866000000000 ] - [ 0.0004071800000000, 0.0006685100000000, 0.0017334100000000 ] - [ 0.0000643700000000, -0.0000535000000000, -0.0005684100000000 ] - [ 0.0009327600000000, -0.0003878500000000, 0.0000469700000000 ] - [ -0.0003286000000000, 0.0001223200000000, -0.0002037600000000 ] - [ -0.0000456100000000, 0.0000755600000000, -0.0000372300000000 ] - [ 0.0009657700000000, 0.0005261700000000, 0.0006353700000000 ] - [ -0.0002807400000000, 0.0027652300000000, -0.0022778500000000 ] - [ -0.0010871900000000, -0.0005093600000000, -0.0010673200000000 ] - [ -0.0011771600000000, -0.0008947600000000, 0.0000295700000000 ] - [ -0.0013107100000000, -0.0004005400000000, -0.0002038400000000 ] - [ 0.0001959800000000, -0.0000635600000000, 0.0002105500000000 ] - [ -0.0000790200000000, -0.0003383000000000, 0.0001961600000000 ] - [ -0.0017945700000000, -0.0012632500000000, 0.0012534400000000 ] - [ -0.0000522300000000, 0.0013491200000000, -0.0001599700000000 ] - [ -0.0000606600000000, 0.0000061200000000, -0.0004217700000000 ] - [ 0.0002297000000000, -0.0000537500000000, -0.0004829500000000 ] - [ 0.0001225100000000, 0.0002742800000000, -0.0002424800000000 ] - [ 0.0000493000000000, -0.0000174400000000, 0.0008792800000000 ] - [ 0.0004877700000000, -0.0007621800000000, -0.0006348100000000 ] - [ 0.0004433000000000, 0.0008415300000000, -0.0006398400000000 ] - [ -0.0483792400000000, 0.0071585300000000, -0.0045551600000000 ] - [ 0.0011420900000000, 0.0005931200000000, 0.0005822100000000 ] - [ -0.0007747400000000, 0.0000066400000000, -0.0004895800000000 ] - [ -0.0001570000000000, 0.0001236500000000, 0.0001040400000000 ] - [ 0.0004067700000000, -0.0007284400000000, -0.0004968100000000 ] - [ 0.0004818700000000, 0.0001295400000000, 0.0001726500000000 ] - [ 0.0001756800000000, -0.0000159100000000, 0.0001403600000000 ] - [ -0.0001996100000000, 0.0015216500000000, 0.0002192200000000 ] - [ -0.0003839400000000, 0.0004665800000000, 0.0005213000000000 ] - [ -0.0004074900000000, -0.0003987300000000, 0.0004827800000000 ] - [ -0.0009805900000000, 0.0004507800000000, -0.0001819500000000 ] - [ -0.0000330700000000, 0.0002078100000000, 0.0002404700000000 ] - [ 0.0013997200000000, 0.0005476300000000, -0.0006991400000000 ] - [ -0.0000392400000000, -0.0002939400000000, -0.0002414300000000 ] - [ -0.0000200500000000, 0.0000271200000000, -0.0003767900000000 ] - [ -0.0000295800000000, -0.0002530400000000, 0.0002265100000000 ] - [ 0.0000036500000000, -0.0000236800000000, -0.0000801100000000 ] - [ -0.0002294700000000, 0.0002383200000000, -0.0002576800000000 ] - [ 0.0003443100000000, -0.0000133900000000, 0.0001729600000000 ] - [ -0.0037614900000000, -0.0010912100000000, 0.0021480500000000 ] - [ 0.0000110300000000, -0.0000140400000000, -0.0000529000000000 ] - [ -0.0008624500000000, 0.0018621000000000, 0.0010435600000000 ] - [ -0.0000012100000000, -0.0000289700000000, -0.0000833400000000 ] - [ -0.0009084000000000, 0.0023049900000000, -0.0008972300000000 ] - [ -0.0000463800000000, 0.0001090700000000, -0.0000908500000000 ] - [ -0.0003246800000000, 0.0002057300000000, -0.0004246100000000 ] - [ 0.0000637000000000, -0.0001075400000000, -0.0000452100000000 ] - [ -0.0000134600000000, 0.0000405100000000, -0.0000526400000000 ] - [ 0.0008306300000000, -0.0008856200000000, 0.0000821100000000 ] - [ 0.0002293800000000, -0.0005131400000000, 0.0002884800000000 ] - [ -0.0000187300000000, 0.0001498600000000, -0.0003647400000000 ] - [ 0.0000573900000000, -0.0002315400000000, 0.0006732700000000 ] - [ -0.0042854600000000, -0.0015517800000000, -0.0025855200000000 ] - [ 0.0000372500000000, -0.0000549600000000, 0.0000641400000000 ]- atom: 119 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0001031200000000, 0.0004515200000000, 0.0002739100000000 ] - [ -0.0000871100000000, 0.0001256700000000, 0.0001155800000000 ] - [ -0.0001028800000000, -0.0000714000000000, -0.0000242400000000 ] - [ 0.0000428200000000, -0.0001355200000000, 0.0000293200000000 ] - [ -0.0004585000000000, -0.0004968400000000, 0.0000248500000000 ] - [ 0.0008769000000000, -0.0007018100000000, -0.0000442100000000 ] - [ -0.0003483100000000, 0.0006157300000000, 0.0002744000000000 ] - [ -0.0038338800000000, 0.0008611300000000, -0.0003017100000000 ] - [ 0.0002486500000000, 0.0001960300000000, 0.0001308000000000 ] - [ -0.0011271600000000, 0.0004840100000000, -0.0005369300000000 ] - [ 0.0000632300000000, 0.0000790600000000, 0.0000269300000000 ] - [ 0.0032808400000000, -0.0048384300000000, -0.0006370000000000 ] - [ 0.0000863300000000, -0.0004306900000000, -0.0001177700000000 ] - [ 0.0000418500000000, -0.0015304400000000, -0.0000767100000000 ] - [ 0.0008834200000000, 0.0036240700000000, -0.0003812800000000 ] - [ -0.0000919100000000, -0.0001188900000000, 0.0001202000000000 ] - [ 0.0001018400000000, -0.0000055900000000, 0.0000694900000000 ] - [ 0.0001472900000000, 0.0000683100000000, 0.0000727100000000 ] - [ -0.0000830300000000, 0.0001780300000000, -0.0000507700000000 ] - [ 0.0001854300000000, -0.0000012900000000, -0.0007693600000000 ] - [ 0.0001915800000000, 0.0000610000000000, 0.0000026500000000 ] - [ 0.0001344200000000, 0.0000666600000000, 0.0000040000000000 ] - [ 0.0000678800000000, -0.0001756000000000, 0.0001356300000000 ] - [ -0.0001223300000000, -0.0000317000000000, 0.0001655700000000 ] - [ 0.0002110200000000, -0.0000464000000000, 0.0001843700000000 ] - [ -0.0000794500000000, 0.0000508500000000, -0.0005646600000000 ] - [ -0.0002420300000000, 0.0001414700000000, -0.0001150900000000 ] - [ -0.0003463600000000, -0.0005114500000000, 0.0006930900000000 ] - [ 0.0001789900000000, 0.0002654400000000, 0.0000051900000000 ] - [ -0.0003349900000000, 0.0010542400000000, -0.0017990200000000 ] - [ 0.0018664500000000, -0.0024736000000000, -0.0017409300000000 ] - [ -0.0011912700000000, -0.0002243400000000, -0.0001635400000000 ] - [ -0.0004174700000000, 0.0005263800000000, 0.0000079700000000 ] - [ -0.0000800200000000, -0.0001072400000000, 0.0002937000000000 ] - [ 0.0017997800000000, 0.0008510400000000, 0.0001985000000000 ] - [ -0.0001116400000000, -0.0000229400000000, 0.0000796200000000 ] - [ 0.0002285400000000, 0.0005694500000000, 0.0000310300000000 ] - [ -0.0008421000000000, -0.0040107100000000, 0.0002205900000000 ] - [ -0.0004665000000000, 0.0004712000000000, 0.0001874800000000 ] - [ -0.0002181600000000, 0.0006083700000000, -0.0001154300000000 ] - [ 0.0003486100000000, -0.0000374000000000, -0.0002424000000000 ] - [ 0.0000804500000000, -0.0000678800000000, 0.0000801900000000 ] - [ -0.0002216000000000, -0.0001493300000000, -0.0001746300000000 ] - [ -0.0003225400000000, 0.0006975500000000, 0.0032601400000000 ] - [ -0.0000488400000000, -0.0002023000000000, -0.0000397000000000 ] - [ 0.0003884700000000, -0.0002401100000000, 0.0002968500000000 ] - [ -0.0001667300000000, 0.0003328200000000, -0.0001922100000000 ] - [ -0.0000840700000000, -0.0001291800000000, -0.0000183900000000 ] - [ -0.0000979100000000, 0.0000587200000000, 0.0000444000000000 ] - [ 0.0001877500000000, -0.0001347700000000, 0.0000037300000000 ] - [ -0.0008602500000000, 0.0002146500000000, 0.0009249900000000 ] - [ -0.0000395300000000, -0.0000390900000000, 0.0002177600000000 ] - [ -0.0001479200000000, 0.0000838000000000, 0.0000783200000000 ] - [ -0.0008069800000000, 0.0015359100000000, 0.0000413400000000 ] - [ -0.0001575200000000, 0.0000308800000000, -0.0001123700000000 ] - [ 0.0000906400000000, -0.0000163000000000, 0.0000240300000000 ] - [ -0.0005529200000000, -0.0008341800000000, -0.0003032600000000 ] - [ -0.0001603400000000, -0.0002137300000000, 0.0005014700000000 ] - [ -0.0000888200000000, -0.0000554300000000, 0.0002628500000000 ] - [ -0.0000330900000000, 0.0001428200000000, 0.0002318200000000 ] - [ 0.0000030600000000, 0.0001457600000000, -0.0006121600000000 ] - [ 0.0000376000000000, 0.0000530700000000, -0.0000775100000000 ] - [ 0.0015209200000000, -0.0014622500000000, 0.0026734100000000 ] - [ -0.0001029500000000, 0.0000048900000000, 0.0002538800000000 ] - [ -0.0000099800000000, 0.0000111200000000, -0.0000594100000000 ] - [ -0.0011311900000000, 0.0034110200000000, -0.0037439600000000 ] - [ 0.0000679600000000, -0.0000213200000000, -0.0004510200000000 ] - [ -0.0001789500000000, 0.0008013100000000, 0.0002256000000000 ] - [ 0.0000175500000000, 0.0000567200000000, -0.0010462400000000 ] - [ -0.0020659000000000, -0.0006816700000000, -0.0006455300000000 ] - [ -0.0023063900000000, -0.0021136100000000, 0.0005130200000000 ] - [ -0.0011622800000000, 0.0027119500000000, 0.0002821400000000 ] - [ 0.1716349800000000, -0.0739571700000000, 0.0393867200000000 ] - [ -0.0007319300000000, -0.0003407700000000, -0.0007606000000000 ] - [ 0.0015550400000000, 0.0009882400000000, 0.0018760100000000 ] - [ -0.0011756500000000, -0.0005594000000000, -0.0000105600000000 ] - [ 0.0007119200000000, -0.0002782900000000, -0.0005194200000000 ] - [ -0.0003052700000000, 0.0003864100000000, 0.0003107900000000 ] - [ 0.0004935800000000, -0.0002396800000000, -0.0002013700000000 ] - [ 0.0000908600000000, -0.0000531400000000, 0.0000507200000000 ] - [ 0.0022086700000000, 0.0000175300000000, -0.0010367100000000 ] - [ 0.0018357800000000, 0.0038654500000000, 0.0015688000000000 ] - [ -0.0001053700000000, -0.0000405600000000, 0.0002487600000000 ] - [ -0.0000860200000000, 0.0000379900000000, -0.0000983700000000 ] - [ -0.0000299400000000, -0.0000168700000000, -0.0000458700000000 ] - [ -0.0000219900000000, 0.0000057800000000, -0.0001738200000000 ] - [ 0.0000754000000000, 0.0000158100000000, 0.0002571400000000 ] - [ 0.0001203700000000, -0.0001123700000000, 0.0001530500000000 ] - [ 0.0001953400000000, 0.0001083200000000, 0.0003368800000000 ] - [ -0.0001417300000000, 0.0001460000000000, 0.0003041700000000 ] - [ -0.0004028100000000, 0.0000517500000000, 0.0009159100000000 ] - [ -0.0003844700000000, -0.0016436600000000, 0.0007312600000000 ] - [ 0.0001613400000000, -0.0001458200000000, -0.0000975100000000 ] - [ 0.0000588500000000, 0.0002288600000000, 0.0004601200000000 ] - [ 0.0002935200000000, 0.0002895900000000, -0.0000955800000000 ] - [ 0.0000232100000000, 0.0000064800000000, -0.0003254900000000 ] - [ 0.0030995100000000, 0.0146656300000000, 0.0085277800000000 ] - [ -0.0004952600000000, 0.0004289300000000, 0.0007158100000000 ] - [ 0.0019341700000000, 0.0001117900000000, 0.0006861800000000 ] - [ -0.0007502500000000, -0.0000557500000000, -0.0003412800000000 ] - [ 0.0000506700000000, -0.0006223800000000, -0.0007288800000000 ] - [ 0.0000130000000000, -0.0001473100000000, -0.0000941700000000 ] - [ 0.0008893800000000, -0.0006162600000000, 0.0005722900000000 ] - [ 0.0004069300000000, 0.0007298200000000, -0.0004786100000000 ] - [ -0.0000905700000000, 0.0000273600000000, 0.0001260500000000 ] - [ -0.0180519500000000, 0.0087164200000000, -0.0000099500000000 ] - [ 0.0004765000000000, 0.0000748400000000, 0.0002631400000000 ] - [ 0.0002976700000000, 0.0006307200000000, -0.0001595400000000 ] - [ -0.0000102000000000, -0.0002209800000000, -0.0003183800000000 ] - [ -0.0002260800000000, 0.0001610100000000, -0.0001402100000000 ] - [ 0.0002514200000000, 0.0000704500000000, 0.0000638700000000 ] - [ 0.0000749000000000, -0.0001598800000000, -0.0001090200000000 ] - [ -0.0000178900000000, 0.0000698900000000, -0.0000648500000000 ] - [ -0.0010179000000000, -0.0007965400000000, -0.0011744100000000 ] - [ 0.0001981700000000, 0.0001296000000000, 0.0000456100000000 ] - [ -0.0000021000000000, -0.0000605900000000, 0.0012582900000000 ] - [ -0.0002600000000000, 0.0000272500000000, -0.0001276300000000 ] - [ 0.0001263200000000, 0.0001523400000000, 0.0001689100000000 ] - [ -0.2171594800000000, 0.0702006000000000, -0.0538693400000000 ] - [ 0.0000625500000000, -0.0020173900000000, 0.0013488500000000 ] - [ 0.0007276000000000, -0.0003094700000000, -0.0001222200000000 ] - [ 0.0007245700000000, 0.0009049000000000, -0.0002497400000000 ] - [ -0.0002836000000000, 0.0000746200000000, -0.0002921300000000 ] - [ -0.0000698700000000, -0.0004559900000000, 0.0002395600000000 ] - [ 0.0000516600000000, 0.0000320500000000, -0.0002389200000000 ] - [ -0.0001144200000000, -0.0001103000000000, 0.0000551100000000 ] - [ -0.0004857600000000, -0.0028488300000000, -0.0023565300000000 ] - [ -0.0012001000000000, 0.0000391900000000, -0.0007885500000000 ] - [ -0.0001937900000000, 0.0002133000000000, 0.0001954800000000 ] - [ -0.0001239500000000, 0.0001087400000000, 0.0003386500000000 ] - [ 0.0016006000000000, -0.0017210200000000, -0.0005230500000000 ] - [ 0.0002789700000000, 0.0000716200000000, 0.0000669100000000 ] - [ -0.0001661100000000, -0.0001306300000000, 0.0003194600000000 ] - [ 0.0002565200000000, 0.0007364900000000, 0.0006539700000000 ] - [ -0.0001215500000000, 0.0001203900000000, -0.0000898900000000 ] - [ -0.0004023800000000, -0.0006657700000000, -0.0006499200000000 ] - [ 0.0002105600000000, 0.0000603600000000, 0.0001901200000000 ] - [ -0.0010179900000000, 0.0005522500000000, 0.0002626100000000 ] - [ 0.0000687400000000, -0.0002789600000000, -0.0002925000000000 ] - [ 0.0001501100000000, -0.0002698700000000, -0.0003006000000000 ] - [ -0.0007716300000000, -0.0005216800000000, -0.0003196700000000 ] - [ 0.0002812600000000, -0.0027370200000000, 0.0022260700000000 ] - [ 0.0010844200000000, 0.0005192400000000, 0.0001919900000000 ] - [ 0.0006175000000000, -0.0000611700000000, 0.0007810200000000 ] - [ 0.0015595300000000, 0.0004044400000000, 0.0002092300000000 ] - [ 0.0002293900000000, -0.0001234300000000, 0.0003296100000000 ] - [ 0.0000048700000000, -0.0002843000000000, 0.0001859500000000 ] - [ 0.0016757300000000, 0.0010563400000000, -0.0012544300000000 ] - [ 0.0001491300000000, -0.0011714500000000, -0.0001764300000000 ] - [ -0.0000004000000000, -0.0001101500000000, -0.0000864500000000 ] - [ -0.0000542900000000, 0.0000462100000000, 0.0002783800000000 ] - [ 0.0001051700000000, 0.0001212200000000, -0.0001050800000000 ] - [ -0.0000513500000000, 0.0000129400000000, 0.0007517700000000 ] - [ 0.0003795300000000, -0.0006570000000000, -0.0003419300000000 ] - [ 0.0003445200000000, 0.0006189300000000, -0.0003374900000000 ] - [ 0.0499544700000000, -0.0079885700000000, 0.0042777100000000 ] - [ -0.0010020200000000, -0.0002793300000000, -0.0012302000000000 ] - [ -0.0008875100000000, 0.0000348400000000, -0.0004865100000000 ] - [ 0.0001486200000000, -0.0004250100000000, -0.0005994200000000 ] - [ 0.0003799800000000, -0.0007395300000000, -0.0004786800000000 ] - [ -0.0005713500000000, -0.0002717300000000, 0.0001450400000000 ] - [ 0.0004149700000000, -0.0002235600000000, 0.0002420900000000 ] - [ 0.0001177700000000, -0.0013781000000000, 0.0001027100000000 ] - [ 0.0003347800000000, -0.0005418700000000, -0.0000612100000000 ] - [ 0.0004031100000000, 0.0003985600000000, -0.0005655100000000 ] - [ 0.0004254400000000, -0.0004652200000000, -0.0000706400000000 ] - [ -0.0000226900000000, 0.0002521800000000, 0.0002993000000000 ] - [ -0.0012398200000000, -0.0005474600000000, 0.0010191700000000 ] - [ -0.0004607400000000, -0.0000822800000000, 0.0006184400000000 ] - [ -0.0000404900000000, 0.0000895400000000, -0.0001316800000000 ] - [ -0.0000253600000000, -0.0001910200000000, 0.0003109100000000 ] - [ 0.0000398800000000, -0.0000633700000000, 0.0000248000000000 ] - [ 0.0001099000000000, -0.0004384500000000, 0.0004772600000000 ] - [ -0.0003508000000000, -0.0000123000000000, -0.0000107000000000 ] - [ 0.0032797500000000, 0.0010872000000000, -0.0017904100000000 ] - [ 0.0000172400000000, -0.0000362300000000, 0.0000608600000000 ] - [ 0.0008583900000000, -0.0018751700000000, -0.0008938700000000 ] - [ -0.0000563600000000, 0.0000280300000000, 0.0000913500000000 ] - [ 0.0011409300000000, -0.0019071800000000, 0.0012453800000000 ] - [ 0.0000885500000000, -0.0000339200000000, 0.0000297600000000 ] - [ 0.0003398900000000, -0.0001736800000000, -0.0002743100000000 ] - [ -0.0001602400000000, 0.0001011400000000, -0.0000088900000000 ] - [ 0.0000404700000000, 0.0000074300000000, 0.0000587700000000 ] - [ -0.0008493900000000, 0.0008946700000000, -0.0007767700000000 ] - [ -0.0000010200000000, 0.0001063400000000, 0.0000454400000000 ] - [ 0.0000348200000000, -0.0001599300000000, -0.0003385500000000 ] - [ 0.0001851100000000, 0.0002319300000000, -0.0004530400000000 ] - [ 0.0042474400000000, 0.0015328500000000, 0.0027190800000000 ] - [ -0.0001554700000000, 0.0002637400000000, 0.0001503200000000 ]- atom: 119 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000382600000000, 0.0001934800000000, -0.0000030400000000 ] - [ -0.0000633400000000, 0.0001051300000000, -0.0001566500000000 ] - [ -0.0003077200000000, -0.0001429100000000, -0.0002187100000000 ] - [ 0.0000676600000000, -0.0000480300000000, -0.0003592300000000 ] - [ -0.0001784000000000, -0.0001074700000000, 0.0005441000000000 ] - [ 0.0011907800000000, 0.0005257800000000, 0.0000247700000000 ] - [ 0.0002065700000000, 0.0001828000000000, 0.0002065800000000 ] - [ -0.0001784000000000, 0.0001074700000000, 0.0005441000000000 ] - [ -0.0000298100000000, -0.0001097400000000, 0.0003232600000000 ] - [ -0.0008128800000000, 0.0006000300000000, -0.0000190600000000 ] - [ 0.0000676600000000, 0.0000480300000000, -0.0003592300000000 ] - [ -0.0011757400000000, 0.0007360800000000, 0.0028953900000000 ] - [ -0.0000376400000000, -0.0005121300000000, -0.0011116100000000 ] - [ -0.0011995700000000, -0.0029251400000000, -0.0002919700000000 ] - [ 0.0004291000000000, -0.0000895800000000, 0.0010429000000000 ] - [ -0.0000633400000000, -0.0001051300000000, -0.0001566500000000 ] - [ -0.0000034800000000, 0.0000000000000000, -0.0002979900000000 ] - [ 0.0001257500000000, 0.0000811800000000, -0.0002108300000000 ] - [ -0.0000828600000000, 0.0002028200000000, -0.0003329900000000 ] - [ -0.0000376400000000, 0.0005121300000000, -0.0011116100000000 ] - [ 0.0002065700000000, -0.0001828000000000, 0.0002065800000000 ] - [ 0.0001478100000000, 0.0000336700000000, -0.0002769400000000 ] - [ 0.0000382600000000, -0.0001934800000000, -0.0000030400000000 ] - [ 0.0000892400000000, 0.0000000000000000, -0.0000892600000000 ] - [ 0.0001837400000000, 0.0000000000000000, -0.0002008800000000 ] - [ -0.0001164800000000, -0.0000936200000000, -0.0005853100000000 ] - [ -0.0001545200000000, 0.0000994800000000, -0.0003515000000000 ] - [ 0.0002318800000000, 0.0002175600000000, 0.0004529200000000 ] - [ 0.0001550700000000, 0.0004399400000000, -0.0001156200000000 ] - [ -0.0011995700000000, 0.0029251400000000, -0.0002919700000000 ] - [ 0.0001676800000000, 0.0000000000000000, 0.0033960000000000 ] - [ -0.0002284100000000, 0.0000000000000000, 0.0007900700000000 ] - [ -0.0001569100000000, 0.0001699900000000, 0.0005031500000000 ] - [ -0.0001569100000000, -0.0001699900000000, 0.0005031500000000 ] - [ 0.0004291000000000, 0.0000895800000000, 0.0010429000000000 ] - [ -0.0001332700000000, -0.0000647500000000, -0.0002054100000000 ] - [ -0.0001845500000000, 0.0003231700000000, 0.0002410600000000 ] - [ -0.0011757400000000, -0.0007360800000000, 0.0028953900000000 ] - [ -0.0001845500000000, -0.0003231700000000, 0.0002410600000000 ] - [ -0.0000298100000000, 0.0001097400000000, 0.0003232600000000 ] - [ 0.0001358200000000, -0.0000850400000000, -0.0006132900000000 ] - [ 0.0001257500000000, -0.0000811800000000, -0.0002108300000000 ] - [ -0.0001545200000000, -0.0000994800000000, -0.0003515000000000 ] - [ 0.0011907800000000, -0.0005257800000000, 0.0000247700000000 ] - [ -0.0000828600000000, -0.0002028200000000, -0.0003329900000000 ] - [ 0.0001550700000000, -0.0004399400000000, -0.0001156200000000 ] - [ -0.0001164800000000, 0.0000936200000000, -0.0005853100000000 ] - [ -0.0000758200000000, -0.0000838600000000, -0.0003623000000000 ] - [ -0.0000758200000000, 0.0000838600000000, -0.0003623000000000 ] - [ 0.0005000900000000, 0.0000000000000000, -0.0006054300000000 ] - [ 0.0002318800000000, -0.0002175600000000, 0.0004529200000000 ] - [ 0.0000674400000000, 0.0002513500000000, -0.0001747900000000 ] - [ -0.0001332700000000, 0.0000647500000000, -0.0002054100000000 ] - [ -0.0002435300000000, 0.0003665300000000, 0.0006217700000000 ] - [ -0.0003077200000000, 0.0001429100000000, -0.0002187100000000 ] - [ 0.0001478100000000, -0.0000336700000000, -0.0002769400000000 ] - [ -0.0008128800000000, -0.0006000300000000, -0.0000190600000000 ] - [ 0.0000674400000000, -0.0002513500000000, -0.0001747900000000 ] - [ -0.0000774700000000, -0.0001321400000000, -0.0000486000000000 ] - [ -0.0000774700000000, 0.0001321400000000, -0.0000486000000000 ] - [ 0.0001358200000000, 0.0000850400000000, -0.0006132900000000 ] - [ -0.0002435300000000, -0.0003665300000000, 0.0006217700000000 ] - [ 0.0033571100000000, 0.0000000000000000, -0.0030390900000000 ] - [ 0.0000418800000000, -0.0000002500000000, -0.0002950800000000 ] - [ -0.0000942900000000, -0.0000548300000000, -0.0008971100000000 ] - [ -0.0017794100000000, 0.0037998700000000, 0.0012010200000000 ] - [ 0.0000016800000000, -0.0000835900000000, -0.0016489800000000 ] - [ 0.0004664500000000, -0.0000502800000000, -0.0008875200000000 ] - [ 0.0000016800000000, 0.0000835900000000, -0.0016489800000000 ] - [ -0.0019778400000000, 0.0000000000000000, 0.0019931800000000 ] - [ -0.0003111900000000, 0.0000000000000000, -0.0000546100000000 ] - [ -0.0001806700000000, 0.0003841400000000, 0.0015147700000000 ] - [ 0.0783548700000000, 0.0000000000000000, 0.1108050900000000 ] - [ -0.0016144800000000, 0.0000000000000000, -0.0015509600000000 ] - [ -0.0017794100000000, -0.0037998700000000, 0.0012010200000000 ] - [ -0.0001806700000000, -0.0003841400000000, 0.0015147700000000 ] - [ 0.0000743200000000, 0.0000000000000000, -0.0023982600000000 ] - [ 0.0000418800000000, 0.0000002500000000, -0.0002950800000000 ] - [ 0.0004664500000000, 0.0000502800000000, -0.0008875200000000 ] - [ 0.0001862300000000, 0.0000000000000000, -0.0009716000000000 ] - [ 0.0001229800000000, 0.0022362600000000, -0.0005598700000000 ] - [ 0.0001229800000000, -0.0022362600000000, -0.0005598700000000 ] - [ 0.0000294500000000, 0.0000000000000000, -0.0006862600000000 ] - [ -0.0000942900000000, 0.0000548300000000, -0.0008971100000000 ] - [ -0.0000441700000000, -0.0000733500000000, 0.0001685900000000 ] - [ -0.0000441700000000, 0.0000733500000000, 0.0001685900000000 ] - [ 0.0001219600000000, 0.0000000000000000, 0.0004499900000000 ] - [ 0.0001351600000000, -0.0002031000000000, 0.0004683500000000 ] - [ 0.0002045100000000, 0.0000769100000000, 0.0006494200000000 ] - [ 0.0003062700000000, 0.0000000000000000, 0.0012533000000000 ] - [ -0.0000261700000000, -0.0003974000000000, 0.0007912300000000 ] - [ 0.0000132300000000, -0.0011894900000000, -0.0003741400000000 ] - [ -0.0000198300000000, 0.0001203200000000, 0.0002048800000000 ] - [ 0.0007839600000000, 0.0000000000000000, 0.0010355600000000 ] - [ 0.0004587900000000, 0.0001675000000000, 0.0001192100000000 ] - [ -0.0000002100000000, 0.0000000000000000, 0.0002893800000000 ] - [ 0.0450423000000000, 0.0000000000000000, 0.0229023700000000 ] - [ -0.0002907500000000, 0.0001598000000000, 0.0013372100000000 ] - [ 0.0011340200000000, 0.0000000000000000, 0.0002329200000000 ] - [ -0.0006876000000000, -0.0000447100000000, -0.0000908400000000 ] - [ 0.0000132300000000, 0.0011894900000000, -0.0003741400000000 ] - [ -0.0000491600000000, -0.0000689100000000, 0.0003431200000000 ] - [ 0.0005563900000000, -0.0005975000000000, -0.0003914300000000 ] - [ 0.0003710500000000, 0.0006441500000000, -0.0000718100000000 ] - [ -0.0002847100000000, 0.0000000000000000, 0.0004994500000000 ] - [ -0.0089217500000000, -0.0039449000000000, -0.0169201100000000 ] - [ 0.0003883000000000, 0.0001473700000000, 0.0003495200000000 ] - [ 0.0000086400000000, -0.0000057300000000, -0.0002832800000000 ] - [ -0.0001218500000000, -0.0000495900000000, 0.0004161800000000 ] - [ -0.0002999900000000, -0.0001791600000000, 0.0001194500000000 ] - [ 0.0000314000000000, 0.0000413900000000, -0.0008865400000000 ] - [ 0.0000442100000000, -0.0000478100000000, 0.0001948500000000 ] - [ -0.0000491600000000, 0.0000689100000000, 0.0003431200000000 ] - [ 0.0002851500000000, 0.0012251900000000, -0.0009713100000000 ] - [ -0.0001294000000000, 0.0004226100000000, 0.0003690500000000 ] - [ 0.0000092600000000, -0.0000841000000000, 0.0016131800000000 ] - [ -0.0001941000000000, 0.0000000000000000, 0.0002409900000000 ] - [ 0.0001351600000000, 0.0002031000000000, 0.0004683500000000 ] - [ -0.1066023000000000, 0.0000000000000000, -0.1105622500000000 ] - [ 0.0008001000000000, -0.0032652100000000, 0.0002187700000000 ] - [ -0.0002802800000000, -0.0000348100000000, -0.0006736400000000 ] - [ 0.0005096600000000, 0.0005696300000000, -0.0008890700000000 ] - [ -0.0002028700000000, 0.0000643400000000, -0.0000616200000000 ] - [ -0.0001934400000000, -0.0003499400000000, 0.0003679200000000 ] - [ -0.0000222500000000, 0.0000000000000000, 0.0004697700000000 ] - [ -0.0000198300000000, -0.0001203200000000, 0.0002048800000000 ] - [ -0.0005286900000000, 0.0016453700000000, 0.0004953900000000 ] - [ 0.0005563900000000, 0.0005975000000000, -0.0003914300000000 ] - [ -0.0001934400000000, 0.0003499400000000, 0.0003679200000000 ] - [ -0.0000303600000000, 0.0001254700000000, 0.0006284700000000 ] - [ 0.0005096600000000, -0.0005696300000000, -0.0008890700000000 ] - [ 0.0004587900000000, -0.0001675000000000, 0.0001192100000000 ] - [ -0.0000303600000000, -0.0001254700000000, 0.0006284700000000 ] - [ 0.0008470700000000, 0.0004265500000000, 0.0001357500000000 ] - [ -0.0001218500000000, 0.0000495900000000, 0.0004161800000000 ] - [ -0.0000261700000000, 0.0003974000000000, 0.0007912300000000 ] - [ 0.0003776700000000, 0.0000000000000000, 0.0007837100000000 ] - [ -0.0005286900000000, -0.0016453700000000, 0.0004953900000000 ] - [ -0.0002028700000000, -0.0000643400000000, -0.0000616200000000 ] - [ 0.0001819100000000, -0.0001792100000000, -0.0007770100000000 ] - [ -0.0001220300000000, 0.0009036700000000, -0.0000057100000000 ] - [ 0.0002851500000000, -0.0012251900000000, -0.0009713100000000 ] - [ 0.0004174500000000, 0.0000000000000000, -0.0016102800000000 ] - [ 0.0008470700000000, -0.0004265500000000, 0.0001357500000000 ] - [ 0.0005270300000000, 0.0000000000000000, -0.0001247100000000 ] - [ 0.0002045100000000, -0.0000769100000000, 0.0006494200000000 ] - [ -0.0001294000000000, -0.0004226100000000, 0.0003690500000000 ] - [ 0.0000086400000000, 0.0000057300000000, -0.0002832800000000 ] - [ 0.0001819100000000, 0.0001792100000000, -0.0007770100000000 ] - [ 0.0000144100000000, -0.0001326500000000, 0.0004216100000000 ] - [ 0.0000819400000000, 0.0000000000000000, 0.0013435500000000 ] - [ 0.0000442100000000, 0.0000478100000000, 0.0001948500000000 ] - [ 0.0000092600000000, 0.0000841000000000, 0.0016131800000000 ] - [ 0.0003710500000000, -0.0006441500000000, -0.0000718100000000 ] - [ 0.0003094100000000, 0.0005720700000000, -0.0000882700000000 ] - [ -0.0089217500000000, 0.0039449000000000, -0.0169201100000000 ] - [ 0.0008001000000000, 0.0032652100000000, 0.0002187700000000 ] - [ -0.0006876000000000, 0.0000447100000000, -0.0000908400000000 ] - [ -0.0002999900000000, 0.0001791600000000, 0.0001194500000000 ] - [ 0.0003094100000000, -0.0005720700000000, -0.0000882700000000 ] - [ -0.0003785700000000, -0.0009893200000000, -0.0002749800000000 ] - [ 0.0003883000000000, -0.0001473700000000, 0.0003495200000000 ] - [ -0.0003785700000000, 0.0009893200000000, -0.0002749800000000 ] - [ 0.0000314000000000, -0.0000413900000000, -0.0008865400000000 ] - [ 0.0000314300000000, 0.0000000000000000, -0.0001283900000000 ] - [ -0.0002802800000000, 0.0000348100000000, -0.0006736400000000 ] - [ -0.0001191700000000, 0.0000987500000000, 0.0006560400000000 ] - [ -0.0001220300000000, -0.0009036700000000, -0.0000057100000000 ] - [ -0.0002907500000000, -0.0001598000000000, 0.0013372100000000 ] - [ 0.0000144100000000, 0.0001326500000000, 0.0004216100000000 ] - [ -0.0001191700000000, -0.0000987500000000, 0.0006560400000000 ] - [ 0.0000607900000000, -0.0000280700000000, 0.0002434000000000 ] - [ 0.0001278000000000, -0.0004565600000000, 0.0002219800000000 ] - [ -0.0001424900000000, 0.0000234400000000, -0.0003424500000000 ] - [ -0.0021178300000000, 0.0000000000000000, -0.0009570600000000 ] - [ 0.0000255700000000, -0.0000299600000000, 0.0003446600000000 ] - [ -0.0001424900000000, -0.0000234400000000, -0.0003424500000000 ] - [ -0.0000502900000000, 0.0000000000000000, 0.0004965500000000 ] - [ 0.0002008800000000, 0.0000252400000000, -0.0006578900000000 ] - [ 0.0000607900000000, 0.0000280700000000, 0.0002434000000000 ] - [ 0.0001338700000000, 0.0000339100000000, -0.0003391700000000 ] - [ -0.0001385300000000, 0.0000000000000000, 0.0005687200000000 ] - [ 0.0000255700000000, 0.0000299600000000, 0.0003446600000000 ] - [ -0.0015186500000000, 0.0000000000000000, 0.0013904500000000 ] - [ 0.0002008800000000, -0.0000252400000000, -0.0006578900000000 ] - [ 0.0001338700000000, -0.0000339100000000, -0.0003391700000000 ] - [ -0.0003637800000000, 0.0000000000000000, 0.0003873800000000 ] - [ 0.0047148000000000, 0.0000000000000000, 0.0007000800000000 ] - [ 0.0001278000000000, 0.0004565600000000, 0.0002219800000000 ]- atom: 119 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000157800000000, 0.0002314100000000, 0.0004310200000000 ] - [ -0.0000540500000000, 0.0001142100000000, 0.0004996000000000 ] - [ 0.0002481700000000, 0.0002512700000000, 0.0004927900000000 ] - [ -0.0000534900000000, -0.0002368500000000, 0.0006114600000000 ] - [ -0.0000467800000000, 0.0005615400000000, -0.0009812900000000 ] - [ -0.0014270700000000, -0.0009177900000000, -0.0000553500000000 ] - [ 0.0002499700000000, -0.0001795400000000, -0.0002219000000000 ] - [ -0.0000467800000000, -0.0005615400000000, -0.0009812900000000 ] - [ -0.0001011800000000, 0.0003490300000000, -0.0002068000000000 ] - [ 0.0005910600000000, -0.0002161600000000, 0.0000093200000000 ] - [ -0.0000534900000000, 0.0002368500000000, 0.0006114600000000 ] - [ 0.0010701500000000, -0.0012067200000000, -0.0031776900000000 ] - [ -0.0001623600000000, 0.0000948700000000, 0.0005255000000000 ] - [ 0.0012207100000000, 0.0027622500000000, 0.0008067700000000 ] - [ -0.0000078300000000, -0.0000361900000000, -0.0012997600000000 ] - [ -0.0000540500000000, -0.0001142100000000, 0.0004996000000000 ] - [ 0.0002596000000000, 0.0000000000000000, 0.0006383700000000 ] - [ 0.0001152600000000, 0.0000884100000000, 0.0004605600000000 ] - [ 0.0000529500000000, 0.0000936700000000, 0.0004432000000000 ] - [ -0.0001623600000000, -0.0000948700000000, 0.0005255000000000 ] - [ 0.0002499700000000, 0.0001795400000000, -0.0002219000000000 ] - [ 0.0001201700000000, 0.0000841200000000, 0.0003906900000000 ] - [ 0.0000157800000000, -0.0002314100000000, 0.0004310200000000 ] - [ 0.0000289500000000, 0.0000000000000000, 0.0003676300000000 ] - [ 0.0000950000000000, 0.0000000000000000, 0.0007859500000000 ] - [ -0.0001547200000000, -0.0002800300000000, -0.0000041300000000 ] - [ 0.0000465400000000, 0.0000984100000000, 0.0000138500000000 ] - [ -0.0003836000000000, -0.0002721600000000, 0.0000498000000000 ] - [ 0.0001818700000000, -0.0001868000000000, 0.0005433900000000 ] - [ 0.0012207100000000, -0.0027622500000000, 0.0008067700000000 ] - [ 0.0004861800000000, 0.0000000000000000, -0.0038427000000000 ] - [ 0.0007414900000000, 0.0000000000000000, -0.0012343500000000 ] - [ 0.0002874800000000, -0.0000711300000000, 0.0000007200000000 ] - [ 0.0002874800000000, 0.0000711300000000, 0.0000007200000000 ] - [ -0.0000078300000000, 0.0000361900000000, -0.0012997600000000 ] - [ -0.0001285700000000, -0.0000539900000000, 0.0004580100000000 ] - [ -0.0001972700000000, 0.0003270300000000, -0.0002050400000000 ] - [ 0.0010701500000000, 0.0012067200000000, -0.0031776900000000 ] - [ -0.0001972700000000, -0.0003270300000000, -0.0002050400000000 ] - [ -0.0001011800000000, -0.0003490300000000, -0.0002068000000000 ] - [ 0.0003323300000000, 0.0001421600000000, 0.0000237600000000 ] - [ 0.0001152600000000, -0.0000884100000000, 0.0004605600000000 ] - [ 0.0000465400000000, -0.0000984100000000, 0.0000138500000000 ] - [ -0.0014270700000000, 0.0009177900000000, -0.0000553500000000 ] - [ 0.0000529500000000, -0.0000936700000000, 0.0004432000000000 ] - [ 0.0001818700000000, 0.0001868000000000, 0.0005433900000000 ] - [ -0.0001547200000000, 0.0002800300000000, -0.0000041300000000 ] - [ -0.0001632400000000, -0.0000923100000000, 0.0004723900000000 ] - [ -0.0001632400000000, 0.0000923100000000, 0.0004723900000000 ] - [ -0.0002709700000000, 0.0000000000000000, 0.0002723100000000 ] - [ -0.0003836000000000, 0.0002721600000000, 0.0000498000000000 ] - [ -0.0004606500000000, -0.0000825200000000, 0.0006011200000000 ] - [ -0.0001285700000000, 0.0000539900000000, 0.0004580100000000 ] - [ -0.0000613100000000, -0.0000444200000000, -0.0008758200000000 ] - [ 0.0002481700000000, -0.0002512700000000, 0.0004927900000000 ] - [ 0.0001201700000000, -0.0000841200000000, 0.0003906900000000 ] - [ 0.0005910600000000, 0.0002161600000000, 0.0000093200000000 ] - [ -0.0004606500000000, 0.0000825200000000, 0.0006011200000000 ] - [ -0.0000588400000000, -0.0001118100000000, 0.0006311400000000 ] - [ -0.0000588400000000, 0.0001118100000000, 0.0006311400000000 ] - [ 0.0003323300000000, -0.0001421600000000, 0.0000237600000000 ] - [ -0.0000613100000000, 0.0000444200000000, -0.0008758200000000 ] - [ -0.0030764900000000, 0.0000000000000000, 0.0031624000000000 ] - [ 0.0000124000000000, -0.0000924800000000, 0.0008894000000000 ] - [ 0.0000259600000000, 0.0001697700000000, 0.0011354600000000 ] - [ 0.0017893300000000, -0.0038367700000000, -0.0010522300000000 ] - [ -0.0000018900000000, 0.0000842800000000, 0.0006650100000000 ] - [ -0.0001877000000000, 0.0005390700000000, 0.0007829400000000 ] - [ -0.0000018900000000, -0.0000842800000000, 0.0006650100000000 ] - [ 0.0019751800000000, 0.0000000000000000, -0.0010748100000000 ] - [ 0.0003322600000000, 0.0000000000000000, -0.0006387600000000 ] - [ 0.0004229200000000, 0.0000146700000000, -0.0019837600000000 ] - [ -0.0780246900000000, 0.0000000000000000, -0.1119126100000000 ] - [ 0.0010612800000000, 0.0000000000000000, 0.0014549400000000 ] - [ 0.0017893300000000, 0.0038367700000000, -0.0010522300000000 ] - [ 0.0004229200000000, -0.0000146700000000, -0.0019837600000000 ] - [ -0.0001777900000000, 0.0000000000000000, 0.0029823600000000 ] - [ 0.0000124000000000, 0.0000924800000000, 0.0008894000000000 ] - [ -0.0001877000000000, -0.0005390700000000, 0.0007829400000000 ] - [ -0.0000529700000000, 0.0000000000000000, 0.0012084800000000 ] - [ -0.0001312100000000, -0.0022381200000000, -0.0000302500000000 ] - [ -0.0001312100000000, 0.0022381200000000, -0.0000302500000000 ] - [ -0.0000289800000000, 0.0000000000000000, 0.0013877700000000 ] - [ 0.0000259600000000, -0.0001697700000000, 0.0011354600000000 ] - [ 0.0000419800000000, 0.0000726100000000, -0.0004083300000000 ] - [ 0.0000419800000000, -0.0000726100000000, -0.0004083300000000 ] - [ -0.0001193400000000, 0.0000000000000000, -0.0001231200000000 ] - [ -0.0000165800000000, -0.0000011800000000, -0.0002125900000000 ] - [ 0.0002223100000000, 0.0001053200000000, -0.0000999400000000 ] - [ 0.0003192200000000, 0.0000000000000000, -0.0008280300000000 ] - [ 0.0000270900000000, 0.0003958300000000, 0.0002740200000000 ] - [ 0.0001876700000000, 0.0014774900000000, -0.0002746500000000 ] - [ 0.0001772300000000, 0.0001434900000000, -0.0002968000000000 ] - [ -0.0010935700000000, 0.0000000000000000, -0.0011351900000000 ] - [ -0.0001948900000000, -0.0000266800000000, -0.0006180300000000 ] - [ -0.0000014800000000, 0.0000000000000000, -0.0011155300000000 ] - [ -0.0440163600000000, 0.0000000000000000, -0.0217231600000000 ] - [ -0.0002099800000000, 0.0002219300000000, -0.0009607500000000 ] - [ -0.0000255300000000, 0.0000000000000000, 0.0005665400000000 ] - [ -0.0009774600000000, -0.0000022000000000, -0.0008794700000000 ] - [ 0.0001876700000000, -0.0014774900000000, -0.0002746500000000 ] - [ -0.0000444400000000, -0.0000852400000000, -0.0005470200000000 ] - [ -0.0008963700000000, 0.0006391500000000, -0.0002558400000000 ] - [ 0.0004986800000000, 0.0007714200000000, -0.0008988700000000 ] - [ 0.0000485400000000, 0.0000000000000000, -0.0002435100000000 ] - [ 0.0089859000000000, 0.0043822200000000, 0.0166476600000000 ] - [ 0.0001882100000000, 0.0000927100000000, 0.0000239400000000 ] - [ -0.0001442800000000, 0.0002252000000000, 0.0003003900000000 ] - [ -0.0000097400000000, -0.0001865900000000, -0.0007914500000000 ] - [ 0.0002959100000000, 0.0004822800000000, -0.0006153600000000 ] - [ -0.0000780500000000, 0.0000305800000000, 0.0013411500000000 ] - [ 0.0001847400000000, -0.0003446700000000, -0.0005318400000000 ] - [ -0.0000444400000000, 0.0000852400000000, -0.0005470200000000 ] - [ -0.0002812800000000, -0.0012338600000000, 0.0009523000000000 ] - [ 0.0000547200000000, 0.0001923300000000, 0.0000045800000000 ] - [ -0.0000117300000000, 0.0000852100000000, 0.0000181200000000 ] - [ -0.0002598400000000, 0.0000000000000000, -0.0005772800000000 ] - [ -0.0000165800000000, 0.0000011800000000, -0.0002125900000000 ] - [ 0.1051288600000000, 0.0000000000000000, 0.1107695800000000 ] - [ -0.0006654400000000, 0.0029892100000000, -0.0008740900000000 ] - [ -0.0002608100000000, 0.0000471200000000, 0.0004245700000000 ] - [ -0.0002603400000000, -0.0001056000000000, 0.0006424900000000 ] - [ -0.0000517200000000, 0.0000957800000000, -0.0004347100000000 ] - [ -0.0001223500000000, -0.0001919600000000, 0.0000554800000000 ] - [ 0.0001531500000000, 0.0000000000000000, -0.0009763600000000 ] - [ 0.0001772300000000, -0.0001434900000000, -0.0002968000000000 ] - [ 0.0004458000000000, -0.0017921800000000, -0.0001811100000000 ] - [ -0.0008963700000000, -0.0006391500000000, -0.0002558400000000 ] - [ -0.0001223500000000, 0.0001919600000000, 0.0000554800000000 ] - [ -0.0003333000000000, 0.0001485700000000, -0.0000800500000000 ] - [ -0.0002603400000000, 0.0001056000000000, 0.0006424900000000 ] - [ -0.0001948900000000, 0.0000266800000000, -0.0006180300000000 ] - [ -0.0003333000000000, -0.0001485700000000, -0.0000800500000000 ] - [ -0.0013959100000000, 0.0005361400000000, 0.0006637100000000 ] - [ -0.0000097400000000, 0.0001865900000000, -0.0007914500000000 ] - [ 0.0000270900000000, -0.0003958300000000, 0.0002740200000000 ] - [ -0.0001059400000000, 0.0000000000000000, -0.0011620300000000 ] - [ 0.0004458000000000, 0.0017921800000000, -0.0001811100000000 ] - [ -0.0000517200000000, -0.0000957800000000, -0.0004347100000000 ] - [ -0.0000806600000000, -0.0000096100000000, 0.0004414200000000 ] - [ 0.0002992300000000, -0.0008997700000000, 0.0003140900000000 ] - [ -0.0002812800000000, 0.0012338600000000, 0.0009523000000000 ] - [ -0.0004226900000000, 0.0000000000000000, 0.0007133100000000 ] - [ -0.0013959100000000, -0.0005361400000000, 0.0006637100000000 ] - [ -0.0002887500000000, 0.0000000000000000, 0.0001313900000000 ] - [ 0.0002223100000000, -0.0001053200000000, -0.0000999400000000 ] - [ 0.0000547200000000, -0.0001923300000000, 0.0000045800000000 ] - [ -0.0001442800000000, -0.0002252000000000, 0.0003003900000000 ] - [ -0.0000806600000000, 0.0000096100000000, 0.0004414200000000 ] - [ -0.0000745000000000, 0.0000217200000000, -0.0009279900000000 ] - [ 0.0000937000000000, 0.0000000000000000, -0.0015446400000000 ] - [ 0.0001847400000000, 0.0003446700000000, -0.0005318400000000 ] - [ -0.0000117300000000, -0.0000852100000000, 0.0000181200000000 ] - [ 0.0004986800000000, -0.0007714200000000, -0.0008988700000000 ] - [ 0.0004787800000000, 0.0008942700000000, -0.0008823000000000 ] - [ 0.0089859000000000, -0.0043822200000000, 0.0166476600000000 ] - [ -0.0006654400000000, -0.0029892100000000, -0.0008740900000000 ] - [ -0.0009774600000000, 0.0000022000000000, -0.0008794700000000 ] - [ 0.0002959100000000, -0.0004822800000000, -0.0006153600000000 ] - [ 0.0004787800000000, -0.0008942700000000, -0.0008823000000000 ] - [ 0.0002914900000000, 0.0008444000000000, 0.0005886000000000 ] - [ 0.0001882100000000, -0.0000927100000000, 0.0000239400000000 ] - [ 0.0002914900000000, -0.0008444000000000, 0.0005886000000000 ] - [ -0.0000780500000000, -0.0000305800000000, 0.0013411500000000 ] - [ -0.0000374000000000, 0.0000000000000000, 0.0000557400000000 ] - [ -0.0002608100000000, -0.0000471200000000, 0.0004245700000000 ] - [ 0.0000607900000000, 0.0003514300000000, -0.0001078400000000 ] - [ 0.0002992300000000, 0.0008997700000000, 0.0003140900000000 ] - [ -0.0002099800000000, -0.0002219300000000, -0.0009607500000000 ] - [ -0.0000745000000000, -0.0000217200000000, -0.0009279900000000 ] - [ 0.0000607900000000, -0.0003514300000000, -0.0001078400000000 ] - [ -0.0000190500000000, -0.0000515000000000, -0.0002920200000000 ] - [ -0.0002436500000000, 0.0002513800000000, -0.0000317600000000 ] - [ 0.0001373000000000, -0.0000417400000000, 0.0005087000000000 ] - [ 0.0016502100000000, 0.0000000000000000, 0.0012951900000000 ] - [ 0.0000010500000000, -0.0000169300000000, -0.0003111900000000 ] - [ 0.0001373000000000, 0.0000417400000000, 0.0005087000000000 ] - [ -0.0000047400000000, 0.0000000000000000, -0.0004625500000000 ] - [ 0.0000289600000000, 0.0003867500000000, 0.0009815100000000 ] - [ -0.0000190500000000, 0.0000515000000000, -0.0002920200000000 ] - [ -0.0001208800000000, -0.0000156800000000, -0.0003687300000000 ] - [ 0.0000445700000000, 0.0000000000000000, -0.0006170100000000 ] - [ 0.0000010500000000, 0.0000169300000000, -0.0003111900000000 ] - [ 0.0015264500000000, 0.0000000000000000, -0.0021166800000000 ] - [ 0.0000289600000000, -0.0003867500000000, 0.0009815100000000 ] - [ -0.0001208800000000, 0.0000156800000000, -0.0003687300000000 ] - [ 0.0006004600000000, 0.0000000000000000, -0.0001947500000000 ] - [ -0.0047690100000000, 0.0000000000000000, -0.0005567300000000 ] - [ -0.0002436500000000, -0.0002513800000000, -0.0000317600000000 ]- atom: 125 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0002537600000000, -0.0002509200000000, 0.0003423800000000 ] - [ -0.0012294000000000, 0.0005526000000000, -0.0001664600000000 ] - [ 0.0004911400000000, 0.0000385600000000, 0.0002526600000000 ] - [ 0.0015928600000000, -0.0007058700000000, 0.0007566300000000 ] - [ -0.0000809100000000, 0.0002185700000000, -0.0002002100000000 ] - [ -0.0001026200000000, -0.0001833800000000, -0.0000072800000000 ] - [ 0.0002144000000000, -0.0000012300000000, -0.0000085400000000 ] - [ -0.0001134500000000, -0.0002053900000000, -0.0002123300000000 ] - [ -0.0001022300000000, -0.0000202600000000, -0.0000610300000000 ] - [ -0.0001308200000000, 0.0002175100000000, -0.0000074900000000 ] - [ 0.0003729700000000, 0.0013748500000000, -0.0001395700000000 ] - [ -0.0000988800000000, -0.0001723400000000, -0.0000945300000000 ] - [ -0.0000630800000000, -0.0001714000000000, -0.0001704000000000 ] - [ 0.0000873400000000, -0.0000045600000000, 0.0001624100000000 ] - [ 0.0002601100000000, -0.0000948700000000, -0.0001684800000000 ] - [ 0.0025768200000000, -0.0007559900000000, -0.0001418100000000 ] - [ 0.0006646400000000, 0.0000659800000000, 0.0000886400000000 ] - [ -0.0001843700000000, -0.0016101400000000, 0.0007695300000000 ] - [ 0.0001501200000000, -0.0001738600000000, -0.0022235200000000 ] - [ -0.0001282900000000, 0.0002936500000000, -0.0002635300000000 ] - [ 0.0002519200000000, -0.0000257500000000, -0.0000020400000000 ] - [ 0.0005403600000000, -0.0002120900000000, -0.0001591100000000 ] - [ 0.0001946700000000, -0.0008839500000000, -0.0000551400000000 ] - [ -0.0017698800000000, 0.0021956300000000, -0.0000968700000000 ] - [ 0.0003602800000000, 0.0002217500000000, 0.0013982900000000 ] - [ -0.0001758200000000, -0.0002534700000000, -0.0002889500000000 ] - [ -0.0001022300000000, 0.0001641400000000, -0.0001414300000000 ] - [ -0.0001988300000000, 0.0001939600000000, 0.0000111000000000 ] - [ 0.0006626200000000, -0.0003591000000000, -0.0000555900000000 ] - [ 0.0001518400000000, 0.0000333100000000, 0.0001404900000000 ] - [ 0.0003634600000000, 0.0000177300000000, 0.0000204800000000 ] - [ 0.0002294700000000, 0.0000509000000000, -0.0001947400000000 ] - [ -0.0000379400000000, 0.0000183700000000, 0.0001631700000000 ] - [ 0.0002755300000000, -0.0001792600000000, 0.0004593800000000 ] - [ 0.0001967600000000, 0.0000469100000000, -0.0001143900000000 ] - [ -0.0004546700000000, -0.0005434200000000, 0.0000497600000000 ] - [ -0.0002030000000000, 0.0003017000000000, 0.0000200000000000 ] - [ -0.0000879500000000, 0.0002570900000000, -0.0001895400000000 ] - [ -0.0001826200000000, -0.0003582800000000, 0.0000225600000000 ] - [ -0.0000568200000000, -0.0003565900000000, 0.0002720900000000 ] - [ 0.0001895900000000, 0.0000087000000000, -0.0001697600000000 ] - [ -0.0004866400000000, -0.0027528200000000, -0.0002575100000000 ] - [ -0.0000067000000000, -0.0000738800000000, -0.0003388600000000 ] - [ -0.0000888300000000, 0.0001934400000000, -0.0000055200000000 ] - [ -0.0002924900000000, -0.0001793300000000, 0.0011813500000000 ] - [ -0.0000702300000000, -0.0001428300000000, 0.0003503500000000 ] - [ -0.0000603700000000, 0.0000395700000000, -0.0003034500000000 ] - [ 0.0000321100000000, 0.0000427300000000, 0.0001411500000000 ] - [ 0.0001451800000000, 0.0000312600000000, 0.0001824400000000 ] - [ 0.0001936500000000, 0.0000201900000000, -0.0001697800000000 ] - [ -0.0002133400000000, 0.0002670600000000, 0.0007306000000000 ] - [ -0.0021162400000000, 0.0034269000000000, 0.0007031700000000 ] - [ 0.0004350800000000, -0.0009528300000000, 0.0002727200000000 ] - [ -0.0001732300000000, 0.0001206500000000, -0.0001017000000000 ] - [ 0.0000917300000000, 0.0001459700000000, 0.0002449400000000 ] - [ -0.0000711100000000, -0.0001288300000000, 0.0001550000000000 ] - [ -0.0001249300000000, -0.0001676900000000, -0.0000023000000000 ] - [ -0.0011282800000000, 0.0027405800000000, -0.0000940900000000 ] - [ -0.0000325300000000, -0.0006188500000000, 0.0000821000000000 ] - [ -0.0001460300000000, -0.0001487800000000, 0.0004154400000000 ] - [ 0.0001894900000000, -0.0000601300000000, -0.0004503000000000 ] - [ -0.0001413500000000, -0.0002288900000000, -0.0001646400000000 ] - [ 0.0000170900000000, 0.0002082800000000, -0.0001835100000000 ] - [ -0.0015121700000000, -0.0018176600000000, -0.0002723700000000 ] - [ 0.0008052500000000, -0.0004052400000000, 0.0001066500000000 ] - [ -0.0000667800000000, -0.0000045500000000, 0.0000898900000000 ] - [ 0.0006081400000000, -0.0010503200000000, 0.0002298300000000 ] - [ 0.0001518400000000, 0.0000868100000000, -0.0000552700000000 ] - [ -0.0020728600000000, 0.0004607800000000, -0.0008574900000000 ] - [ 0.0003458900000000, 0.0002806700000000, 0.0006693300000000 ] - [ 0.0000201400000000, 0.0000345000000000, -0.0003893700000000 ] - [ 0.0001428500000000, 0.0001372300000000, 0.0001426100000000 ] - [ -0.0002053700000000, 0.0000564200000000, -0.0004218200000000 ] - [ -0.0004224700000000, 0.0002738800000000, -0.0000371300000000 ] - [ 0.0000302100000000, -0.0000594400000000, 0.0000613500000000 ] - [ 0.0000556200000000, -0.0002069500000000, -0.0004215900000000 ] - [ 0.0022902100000000, 0.0004181900000000, -0.0002956900000000 ] - [ 0.0023243900000000, -0.0038833900000000, 0.0014507300000000 ] - [ 0.0002676100000000, -0.0003368200000000, -0.0000375400000000 ] - [ -0.0428746700000000, 0.0744671900000000, 0.0002036700000000 ] - [ 0.0001957900000000, -0.0003240500000000, -0.0013981600000000 ] - [ -0.0002928700000000, -0.0000324500000000, 0.0002630000000000 ] - [ 0.0005146700000000, 0.0013996900000000, -0.0002402900000000 ] - [ -0.0000454800000000, -0.0010605900000000, 0.0001061600000000 ] - [ -0.0010386800000000, 0.0018114700000000, -0.0002675900000000 ] - [ 0.0010643100000000, 0.0006069300000000, -0.0000426400000000 ] - [ -0.0010180900000000, -0.0005743400000000, 0.0000535300000000 ] - [ 0.0003666600000000, -0.0006884800000000, 0.0001963400000000 ] - [ -0.0000185400000000, 0.0000518600000000, 0.0002902400000000 ] - [ -0.0013638700000000, -0.0007026600000000, 0.0011162700000000 ] - [ -0.0002123800000000, 0.0003687400000000, 0.0013421900000000 ] - [ 0.0001228100000000, 0.0001584600000000, -0.0003258400000000 ] - [ 0.0000931700000000, 0.0002425500000000, -0.0000387900000000 ] - [ -0.0000305900000000, -0.0000478500000000, -0.0000310800000000 ] - [ 0.0001115600000000, -0.0000637800000000, -0.0002511100000000 ] - [ -0.0002821900000000, -0.0005427000000000, -0.0000157100000000 ] - [ 0.0000099500000000, -0.0000382200000000, 0.0003764200000000 ] - [ -0.0008564600000000, 0.0004559300000000, 0.0004174800000000 ] - [ 0.0003717800000000, -0.0002038900000000, 0.0001761800000000 ] - [ 0.0004325500000000, 0.0003639900000000, 0.0002103100000000 ] - [ 0.0000717900000000, -0.0000844100000000, -0.0003204200000000 ] - [ -0.0008796900000000, 0.0013652300000000, -0.0009595600000000 ] - [ -0.0001312700000000, 0.0000210900000000, -0.0003110400000000 ] - [ 0.0003079000000000, 0.0012542000000000, -0.0009323100000000 ] - [ -0.0005190400000000, -0.0002161000000000, 0.0002843300000000 ] - [ 0.0001018300000000, 0.0001652600000000, -0.0000732300000000 ] - [ -0.0011679700000000, 0.0007832600000000, -0.0003028400000000 ] - [ -0.0000761300000000, 0.0000999200000000, 0.0000078000000000 ] - [ -0.0000910700000000, -0.0000288700000000, -0.0001830500000000 ] - [ -0.0000264800000000, 0.0001578400000000, -0.0002587900000000 ] - [ 0.0000243900000000, 0.0000418600000000, 0.0003767600000000 ] - [ -0.0000602000000000, 0.0003448300000000, -0.0000992900000000 ] - [ 0.0006082700000000, 0.0006541900000000, 0.0003308700000000 ] - [ -0.0000101900000000, 0.0000216800000000, 0.0000192000000000 ] - [ -0.0017052900000000, 0.0031317200000000, -0.0015275700000000 ] - [ 0.0003792100000000, -0.0000909700000000, 0.0010263400000000 ] - [ -0.0024017200000000, -0.0137953000000000, -0.0217563400000000 ] - [ -0.0005379200000000, -0.0004706100000000, 0.0004037300000000 ] - [ -0.0000925400000000, -0.0000333200000000, -0.0001255100000000 ] - [ 0.0000906100000000, -0.0001726800000000, -0.0003244500000000 ] - [ -0.0001954500000000, 0.0000070300000000, -0.0000725300000000 ] - [ 0.0001397400000000, 0.0002007000000000, -0.0000801400000000 ] - [ -0.0002300700000000, 0.0001285400000000, -0.0002403800000000 ] - [ -0.0000134200000000, 0.0012914600000000, -0.0002577100000000 ] - [ 0.0387029200000000, -0.0669112200000000, -0.0008384800000000 ] - [ 0.0000540900000000, -0.0000494600000000, -0.0000470100000000 ] - [ 0.0000716200000000, -0.0001385000000000, 0.0000192400000000 ] - [ -0.0001722300000000, -0.0000069700000000, -0.0003343100000000 ] - [ -0.0000751600000000, 0.0008989700000000, 0.0004393400000000 ] - [ -0.0000450500000000, 0.0003539900000000, 0.0002902500000000 ] - [ 0.0001482400000000, -0.0002665400000000, -0.0002113000000000 ] - [ 0.0002765900000000, -0.0003081300000000, -0.0002677000000000 ] - [ -0.0008712300000000, 0.0001789200000000, 0.0001891700000000 ] - [ -0.0003949800000000, 0.0003671900000000, 0.0002867100000000 ] - [ -0.0001199000000000, 0.0001844700000000, -0.0001954500000000 ] - [ 0.0002617000000000, 0.0000931600000000, 0.0001236200000000 ] - [ 0.0004107700000000, -0.0004555800000000, -0.0002000700000000 ] - [ -0.0000526100000000, 0.0000921000000000, 0.0004360400000000 ] - [ -0.0001160700000000, -0.0000524700000000, -0.0002552100000000 ] - [ 0.0000602500000000, -0.0000661500000000, -0.0001248500000000 ] - [ 0.0003225000000000, 0.0000081900000000, 0.0000113800000000 ] - [ 0.0000235700000000, 0.0000022900000000, -0.0000317400000000 ] - [ -0.0000628700000000, -0.0000433500000000, -0.0005644700000000 ] - [ -0.0004054800000000, -0.0006528200000000, 0.0004158200000000 ] - [ 0.0001251500000000, -0.0000191300000000, 0.0000086400000000 ] - [ -0.0001485700000000, 0.0003427100000000, 0.0003338700000000 ] - [ 0.0013988700000000, 0.0007850000000000, 0.0010423800000000 ] - [ -0.0000795300000000, -0.0001357400000000, 0.0000204900000000 ] - [ 0.0000735300000000, 0.0001770000000000, -0.0002581900000000 ] - [ -0.0000998500000000, 0.0002183600000000, -0.0002347600000000 ] - [ -0.0007454400000000, -0.0002823500000000, 0.0003404000000000 ] - [ 0.0001904800000000, 0.0009736600000000, -0.0002563600000000 ] - [ -0.0001077900000000, 0.0001808800000000, 0.0004006900000000 ] - [ 0.0008646700000000, -0.0014181100000000, -0.0007292300000000 ] - [ 0.0009016300000000, 0.0008826200000000, -0.0004840500000000 ] - [ 0.0001058300000000, -0.0002181700000000, -0.0000788300000000 ] - [ 0.0000641800000000, 0.0001652200000000, -0.0003351000000000 ] - [ -0.0012540400000000, 0.0004132400000000, -0.0009379200000000 ] - [ -0.0000613200000000, -0.0000853800000000, -0.0002480900000000 ] - [ 0.0000236100000000, -0.0000803800000000, -0.0004920100000000 ] - [ 0.0000169700000000, 0.0002203000000000, 0.0004313600000000 ] - [ 0.0012475300000000, 0.0001543000000000, 0.0004458200000000 ] - [ 0.0000117400000000, 0.0001525600000000, 0.0000297600000000 ] - [ -0.0000522100000000, 0.0000152400000000, -0.0000835700000000 ] - [ -0.0000130700000000, -0.0000260000000000, 0.0000065600000000 ] - [ -0.0003577100000000, 0.0000192100000000, -0.0002203300000000 ] - [ 0.0131866700000000, -0.0050832600000000, -0.0210855000000000 ] - [ -0.0002086900000000, 0.0000965800000000, 0.0004321700000000 ] - [ -0.0009801100000000, -0.0008765400000000, 0.0004420800000000 ] - [ -0.0002213900000000, 0.0002495600000000, -0.0002501300000000 ] - [ -0.0027032900000000, 0.0034353900000000, 0.0438896300000000 ] - [ 0.0001469400000000, 0.0000324600000000, -0.0002024800000000 ] - [ -0.0000287400000000, 0.0001412700000000, 0.0000892100000000 ] - [ -0.0000132800000000, 0.0000058200000000, 0.0000792800000000 ] - [ -0.0001634700000000, -0.0001074000000000, 0.0001711500000000 ] - [ 0.0005524700000000, 0.0007508500000000, -0.0002672700000000 ] - [ -0.0000055500000000, 0.0000180200000000, 0.0000774200000000 ] - [ -0.0008433700000000, -0.0000922000000000, -0.0002425700000000 ] - [ 0.0000838200000000, 0.0002429000000000, 0.0001676700000000 ] - [ -0.0001004000000000, 0.0002630100000000, 0.0003245800000000 ] - [ -0.0000022500000000, 0.0000290700000000, -0.0002984100000000 ] - [ -0.0001765400000000, -0.0000787900000000, -0.0002061000000000 ] - [ -0.0009311700000000, 0.0016340000000000, 0.0005698700000000 ] - [ -0.0000218200000000, -0.0000116800000000, -0.0003774200000000 ] - [ 0.0000956300000000, -0.0001482500000000, 0.0001674000000000 ] - [ 0.0000272200000000, -0.0000075800000000, -0.0003778100000000 ] - [ 0.0008190300000000, -0.0012660900000000, 0.0001620500000000 ] - [ 0.0000119700000000, -0.0000379200000000, 0.0000799300000000 ] - [ -0.0002636100000000, 0.0002075900000000, 0.0001017200000000 ]- atom: 125 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0003049200000000, 0.0006689800000000, 0.0000820900000000 ] - [ 0.0011001300000000, -0.0003299000000000, 0.0004926300000000 ] - [ -0.0005406400000000, 0.0000640400000000, 0.0000210600000000 ] - [ -0.0015680600000000, 0.0004170400000000, -0.0005244900000000 ] - [ -0.0001680400000000, 0.0002270600000000, -0.0002390400000000 ] - [ -0.0001185200000000, -0.0002013200000000, 0.0000028200000000 ] - [ 0.0002387400000000, 0.0000059900000000, 0.0000002000000000 ] - [ -0.0001463300000000, -0.0002445700000000, -0.0002233500000000 ] - [ -0.0000261000000000, 0.0002672100000000, 0.0001746800000000 ] - [ -0.0001038900000000, 0.0001726100000000, -0.0000003100000000 ] - [ -0.0003456700000000, -0.0010726500000000, 0.0003759800000000 ] - [ -0.0000403100000000, -0.0002650300000000, -0.0001499300000000 ] - [ -0.0001340100000000, -0.0002344400000000, -0.0004135400000000 ] - [ -0.0000576600000000, -0.0001529500000000, 0.0003387300000000 ] - [ 0.0001707200000000, -0.0000122600000000, -0.0000845000000000 ] - [ -0.0026994900000000, 0.0005525800000000, 0.0004690100000000 ] - [ -0.0004101600000000, -0.0000506300000000, 0.0002424900000000 ] - [ 0.0004367100000000, 0.0017541400000000, -0.0005436400000000 ] - [ -0.0001853700000000, 0.0004780900000000, 0.0023509800000000 ] - [ -0.0000648900000000, 0.0001355500000000, -0.0003217900000000 ] - [ 0.0002030100000000, 0.0000175200000000, -0.0000066900000000 ] - [ -0.0002696400000000, 0.0003336000000000, 0.0002719200000000 ] - [ -0.0001389600000000, 0.0004542900000000, 0.0004785000000000 ] - [ 0.0018822200000000, -0.0022147800000000, 0.0003423600000000 ] - [ -0.0000682600000000, -0.0002108300000000, -0.0007905900000000 ] - [ -0.0000757200000000, -0.0001207500000000, -0.0002963800000000 ] - [ -0.0000086400000000, 0.0000425200000000, -0.0001905400000000 ] - [ 0.0000503900000000, -0.0002437700000000, 0.0004952900000000 ] - [ -0.0003287000000000, 0.0006134700000000, 0.0004821600000000 ] - [ -0.0001364300000000, 0.0001252100000000, 0.0003567600000000 ] - [ 0.0003855400000000, -0.0000296400000000, 0.0000248500000000 ] - [ 0.0002814000000000, -0.0000438400000000, -0.0002433100000000 ] - [ 0.0001676300000000, 0.0000748700000000, 0.0003339200000000 ] - [ -0.0001433100000000, 0.0000720200000000, 0.0000371700000000 ] - [ 0.0002398100000000, 0.0000568500000000, -0.0001393100000000 ] - [ 0.0002064100000000, 0.0004186800000000, 0.0001968200000000 ] - [ -0.0001813300000000, 0.0003404800000000, 0.0000245900000000 ] - [ -0.0000404200000000, 0.0001729800000000, -0.0000631300000000 ] - [ -0.0001949300000000, -0.0002955300000000, 0.0000181300000000 ] - [ -0.0000760900000000, 0.0001268000000000, -0.0001533300000000 ] - [ 0.0002782000000000, 0.0000361300000000, -0.0004150400000000 ] - [ 0.0007205300000000, 0.0025759300000000, 0.0004922600000000 ] - [ -0.0001053500000000, -0.0001180100000000, -0.0000008900000000 ] - [ -0.0001336400000000, 0.0002012200000000, -0.0000026700000000 ] - [ 0.0002515000000000, -0.0001329400000000, -0.0010553900000000 ] - [ 0.0004095000000000, -0.0001069600000000, 0.0000717700000000 ] - [ -0.0002259600000000, 0.0003240600000000, -0.0002807200000000 ] - [ -0.0002772400000000, -0.0002212300000000, -0.0000382500000000 ] - [ -0.0003779400000000, 0.0001438600000000, -0.0000722400000000 ] - [ 0.0000398700000000, -0.0000115100000000, -0.0001613800000000 ] - [ 0.0000567800000000, -0.0002099300000000, -0.0002295700000000 ] - [ 0.0018110100000000, -0.0033960800000000, -0.0004647600000000 ] - [ -0.0007110000000000, 0.0010655100000000, -0.0000327600000000 ] - [ -0.0001352500000000, 0.0001990800000000, -0.0001513900000000 ] - [ -0.0001548800000000, -0.0002557400000000, 0.0000217100000000 ] - [ 0.0003390300000000, 0.0000126200000000, -0.0000437400000000 ] - [ -0.0000977900000000, -0.0002165300000000, -0.0000011900000000 ] - [ 0.0007568200000000, -0.0029149000000000, 0.0004805000000000 ] - [ -0.0001069800000000, 0.0003770600000000, 0.0005004800000000 ] - [ 0.0000130800000000, 0.0003915900000000, 0.0001698200000000 ] - [ 0.0002690300000000, -0.0000050600000000, -0.0001335700000000 ] - [ -0.0001675000000000, -0.0001097400000000, -0.0000804400000000 ] - [ 0.0002565700000000, -0.0001971300000000, 0.0003027600000000 ] - [ 0.0015802700000000, 0.0017519300000000, 0.0008415700000000 ] - [ -0.0008699500000000, 0.0005199100000000, 0.0001141900000000 ] - [ 0.0000737000000000, 0.0000001500000000, 0.0000822300000000 ] - [ -0.0005985100000000, 0.0010342400000000, -0.0012123100000000 ] - [ 0.0001290100000000, 0.0003997000000000, -0.0000407400000000 ] - [ 0.0020711000000000, -0.0004509900000000, -0.0001278600000000 ] - [ -0.0003385300000000, -0.0002793200000000, 0.0002379800000000 ] - [ -0.0000209600000000, -0.0000345300000000, -0.0002782000000000 ] - [ 0.0000940300000000, 0.0002719200000000, -0.0006016200000000 ] - [ -0.0002607800000000, -0.0000570100000000, -0.0000441200000000 ] - [ -0.0001446300000000, -0.0002729200000000, -0.0000394800000000 ] - [ -0.0000377300000000, 0.0000625900000000, 0.0001115000000000 ] - [ 0.0001765700000000, -0.0001948500000000, -0.0000447700000000 ] - [ -0.0024236200000000, -0.0004213600000000, 0.0008648400000000 ] - [ -0.0022543000000000, 0.0039558200000000, -0.0008642800000000 ] - [ 0.0000158700000000, -0.0001535600000000, -0.0000584600000000 ] - [ 0.0430578500000000, -0.0745253100000000, -0.0018355400000000 ] - [ -0.0001827900000000, 0.0003194600000000, 0.0008157300000000 ] - [ 0.0002750500000000, 0.0000368800000000, -0.0008515100000000 ] - [ -0.0005192500000000, -0.0013938800000000, 0.0009407300000000 ] - [ -0.0000258200000000, 0.0009404400000000, 0.0001161200000000 ] - [ 0.0010452900000000, -0.0018295300000000, 0.0000394800000000 ] - [ -0.0010639400000000, -0.0006097700000000, -0.0001890100000000 ] - [ 0.0010168100000000, 0.0005763300000000, 0.0002795900000000 ] - [ -0.0002452500000000, 0.0004871600000000, 0.0000553000000000 ] - [ 0.0004417900000000, 0.0001240100000000, 0.0002620000000000 ] - [ 0.0020174000000000, 0.0007022000000000, -0.0006925000000000 ] - [ 0.0002133800000000, -0.0003730100000000, -0.0002821700000000 ] - [ 0.0000745500000000, 0.0001165100000000, -0.0003259400000000 ] - [ 0.0000644300000000, 0.0000304700000000, -0.0000566400000000 ] - [ -0.0002777800000000, 0.0000554000000000, -0.0000678000000000 ] - [ 0.0001584700000000, 0.0002168700000000, -0.0002526700000000 ] - [ 0.0002846500000000, 0.0005384100000000, -0.0008001000000000 ] - [ 0.0000734000000000, 0.0000338400000000, 0.0000688100000000 ] - [ 0.0003611200000000, -0.0000675700000000, -0.0000371300000000 ] - [ 0.0007292500000000, 0.0002089300000000, 0.0006242000000000 ] - [ -0.0020949300000000, -0.0004198500000000, -0.0011814300000000 ] - [ 0.0001302000000000, -0.0001922800000000, -0.0003323100000000 ] - [ 0.0007841000000000, -0.0015196300000000, 0.0007714400000000 ] - [ -0.0002093100000000, 0.0000152300000000, -0.0003416200000000 ] - [ 0.0005577900000000, 0.0001646200000000, -0.0000431500000000 ] - [ 0.0002905600000000, 0.0002171100000000, -0.0000327700000000 ] - [ 0.0001690200000000, 0.0002808100000000, -0.0001769300000000 ] - [ 0.0017263000000000, -0.0005395500000000, 0.0006816100000000 ] - [ -0.0000470100000000, 0.0001129900000000, -0.0000054000000000 ] - [ -0.0000422500000000, -0.0002017300000000, -0.0001925000000000 ] - [ 0.0000232000000000, 0.0001503300000000, -0.0002407300000000 ] - [ -0.0000697900000000, 0.0000269000000000, 0.0000681800000000 ] - [ 0.0002874700000000, -0.0007313000000000, -0.0002334700000000 ] - [ -0.0007056200000000, -0.0005086900000000, -0.0005120900000000 ] - [ 0.0000122800000000, -0.0000189100000000, -0.0000564400000000 ] - [ 0.0016174000000000, -0.0024981400000000, 0.0018895800000000 ] - [ -0.0003818000000000, 0.0000853000000000, 0.0005978200000000 ] - [ 0.0019807600000000, 0.0139632000000000, 0.0214314700000000 ] - [ 0.0006542900000000, 0.0006682600000000, -0.0001526900000000 ] - [ -0.0001204700000000, 0.0000248000000000, -0.0002129800000000 ] - [ 0.0000444700000000, -0.0001310900000000, -0.0003250600000000 ] - [ -0.0003275500000000, -0.0000006300000000, -0.0001771200000000 ] - [ 0.0001106100000000, 0.0002554200000000, -0.0001700100000000 ] - [ -0.0000302700000000, 0.0000365900000000, -0.0002614200000000 ] - [ -0.0003010600000000, -0.0018307100000000, 0.0006877200000000 ] - [ -0.0385281100000000, 0.0667891000000000, 0.0019299000000000 ] - [ 0.0001057400000000, -0.0002115600000000, -0.0000475400000000 ] - [ -0.0001479200000000, -0.0000049000000000, 0.0002964800000000 ] - [ -0.0001583700000000, -0.0000275900000000, -0.0003153700000000 ] - [ -0.0002439700000000, -0.0003647900000000, -0.0000087100000000 ] - [ -0.0003233200000000, -0.0000764300000000, 0.0002631300000000 ] - [ 0.0001094700000000, -0.0002112300000000, -0.0000407900000000 ] - [ -0.0000014900000000, 0.0001620100000000, -0.0002387500000000 ] - [ 0.0005168300000000, -0.0004508200000000, 0.0003607500000000 ] - [ -0.0001556200000000, 0.0005940800000000, 0.0005162400000000 ] - [ -0.0000108300000000, 0.0000562900000000, -0.0001764300000000 ] - [ -0.0002606300000000, -0.0000921800000000, 0.0009411500000000 ] - [ -0.0001355800000000, 0.0004602700000000, -0.0001876000000000 ] - [ -0.0000327800000000, 0.0000606600000000, -0.0001259200000000 ] - [ -0.0001450900000000, -0.0001043200000000, -0.0002438100000000 ] - [ 0.0000393900000000, -0.0001235900000000, -0.0002136500000000 ] - [ -0.0001428100000000, -0.0000050800000000, 0.0003011300000000 ] - [ -0.0000220900000000, 0.0000008900000000, -0.0000052300000000 ] - [ 0.0000634200000000, 0.0000465500000000, -0.0003149400000000 ] - [ -0.0001471800000000, -0.0003027600000000, 0.0003873600000000 ] - [ 0.0001215500000000, 0.0000186600000000, -0.0000064300000000 ] - [ 0.0005733700000000, -0.0005245000000000, 0.0002196700000000 ] - [ -0.0014903400000000, -0.0014276900000000, -0.0006676400000000 ] - [ -0.0000417700000000, -0.0000749000000000, -0.0000183400000000 ] - [ 0.0000292100000000, 0.0000003800000000, -0.0000799400000000 ] - [ 0.0000411200000000, -0.0003218900000000, -0.0002643600000000 ] - [ 0.0009246300000000, 0.0002767200000000, -0.0005222500000000 ] - [ 0.0000369800000000, -0.0005818400000000, -0.0000781000000000 ] - [ 0.0001044100000000, -0.0001829700000000, 0.0012209800000000 ] - [ 0.0000006000000000, -0.0000054400000000, -0.0002444800000000 ] - [ -0.0001162900000000, 0.0005716900000000, -0.0004858100000000 ] - [ 0.0001618500000000, -0.0002321400000000, -0.0001709500000000 ] - [ 0.0000753400000000, 0.0001434300000000, -0.0003172000000000 ] - [ -0.0004121200000000, -0.0003633200000000, -0.0000372700000000 ] - [ 0.0000560900000000, -0.0002193400000000, -0.0002510900000000 ] - [ 0.0007576400000000, -0.0013779300000000, -0.0004751300000000 ] - [ -0.0001053500000000, -0.0003636700000000, -0.0001163300000000 ] - [ -0.0006649800000000, -0.0003979300000000, -0.0000654200000000 ] - [ -0.0000949300000000, -0.0000160600000000, 0.0002883700000000 ] - [ 0.0000077100000000, -0.0000916100000000, 0.0005295200000000 ] - [ 0.0000104400000000, 0.0000207000000000, -0.0000913700000000 ] - [ -0.0001855200000000, -0.0000349500000000, -0.0000316400000000 ] - [ -0.0134039200000000, 0.0055911100000000, 0.0216444100000000 ] - [ 0.0003693400000000, -0.0001017600000000, -0.0001154300000000 ] - [ 0.0004864800000000, 0.0005052200000000, -0.0000617100000000 ] - [ 0.0001603400000000, -0.0001340700000000, -0.0002486600000000 ] - [ 0.0025549600000000, -0.0037338900000000, -0.0427786600000000 ] - [ -0.0001025600000000, -0.0001173500000000, 0.0001496400000000 ] - [ -0.0000868200000000, -0.0003423200000000, 0.0001098700000000 ] - [ 0.0000098700000000, -0.0000229400000000, 0.0000747300000000 ] - [ -0.0002937800000000, 0.0001132900000000, 0.0001606200000000 ] - [ -0.0005164000000000, -0.0007847000000000, 0.0002973800000000 ] - [ 0.0000028000000000, -0.0000233200000000, 0.0000754700000000 ] - [ 0.0007740500000000, 0.0000909900000000, 0.0002737200000000 ] - [ 0.0001493300000000, 0.0001605300000000, 0.0001665800000000 ] - [ 0.0001437100000000, -0.0001895500000000, -0.0003816200000000 ] - [ 0.0000200300000000, 0.0000009400000000, -0.0004064700000000 ] - [ 0.0000778300000000, 0.0000724900000000, 0.0001532500000000 ] - [ 0.0009619400000000, -0.0015966200000000, -0.0005402100000000 ] - [ 0.0000065800000000, 0.0000191200000000, -0.0003324000000000 ] - [ 0.0001378700000000, -0.0002448800000000, 0.0001682900000000 ] - [ -0.0000129000000000, -0.0000015800000000, -0.0003315400000000 ] - [ -0.0005811800000000, 0.0012729800000000, 0.0000044000000000 ] - [ -0.0000252200000000, 0.0000262400000000, 0.0000737800000000 ] - [ 0.0001460000000000, 0.0000004400000000, 0.0000967100000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000060500000000, 0.0004691700000000, 0.0008888600000000 ] - [ 0.0023942300000000, 0.0009363100000000, 0.0030828100000000 ] - [ -0.0002095900000000, 0.0002650000000000, 0.0006383300000000 ] - [ -0.0021752500000000, 0.0016619800000000, 0.0027206600000000 ] - [ -0.0001675500000000, 0.0002891300000000, -0.0008748500000000 ] - [ -0.0001034000000000, -0.0001919700000000, -0.0006893000000000 ] - [ 0.0002230200000000, 0.0000209100000000, -0.0006904700000000 ] - [ -0.0001675500000000, -0.0002891300000000, -0.0008748500000000 ] - [ -0.0000531200000000, 0.0000011400000000, -0.0002924000000000 ] - [ -0.0000753700000000, 0.0001050000000000, -0.0009080200000000 ] - [ -0.0021752500000000, -0.0016619800000000, 0.0027206600000000 ] - [ 0.0000296800000000, -0.0000625300000000, -0.0010214400000000 ] - [ -0.0003485300000000, -0.0000834900000000, -0.0010393200000000 ] - [ 0.0001228900000000, -0.0000047500000000, -0.0001105100000000 ] - [ 0.0002002100000000, -0.0000662800000000, -0.0007703600000000 ] - [ 0.0023942300000000, -0.0009363100000000, 0.0030828100000000 ] - [ -0.0000154800000000, 0.0000000000000000, 0.0017554400000000 ] - [ -0.0003906800000000, 0.0029088000000000, 0.0027579500000000 ] - [ 0.0009414500000000, -0.0015449200000000, -0.0031971800000000 ] - [ -0.0003485300000000, 0.0000834900000000, -0.0010393200000000 ] - [ 0.0002230200000000, -0.0000209100000000, -0.0006904700000000 ] - [ 0.0006844800000000, -0.0001109100000000, 0.0000802100000000 ] - [ 0.0000060500000000, -0.0004691700000000, 0.0008888600000000 ] - [ -0.0020111300000000, 0.0000000000000000, 0.0006791200000000 ] - [ -0.0019085400000000, 0.0000000000000000, -0.0028779700000000 ] - [ -0.0001369600000000, -0.0002021700000000, -0.0009130500000000 ] - [ 0.0002226100000000, 0.0001777900000000, -0.0008826300000000 ] - [ -0.0006765900000000, -0.0009888200000000, -0.0014006200000000 ] - [ 0.0003943800000000, 0.0000059900000000, 0.0008887300000000 ] - [ 0.0001228900000000, 0.0000047500000000, -0.0001105100000000 ] - [ 0.0002704000000000, 0.0000000000000000, -0.0008682300000000 ] - [ 0.0001658100000000, 0.0000000000000000, -0.0011253200000000 ] - [ -0.0000421300000000, 0.0000118500000000, -0.0000982600000000 ] - [ -0.0000421300000000, -0.0000118500000000, -0.0000982600000000 ] - [ 0.0002002100000000, 0.0000662800000000, -0.0007703600000000 ] - [ 0.0000248200000000, 0.0002303800000000, 0.0015232100000000 ] - [ -0.0001817200000000, 0.0003263700000000, -0.0006725400000000 ] - [ 0.0000296800000000, 0.0000625300000000, -0.0010214400000000 ] - [ -0.0001817200000000, -0.0003263700000000, -0.0006725400000000 ] - [ -0.0000531200000000, -0.0000011400000000, -0.0002924000000000 ] - [ 0.0002534900000000, 0.0002937500000000, -0.0010406500000000 ] - [ -0.0003906800000000, -0.0029088000000000, 0.0027579500000000 ] - [ 0.0002226100000000, -0.0001777900000000, -0.0008826300000000 ] - [ -0.0001034000000000, 0.0001919700000000, -0.0006893000000000 ] - [ 0.0009414500000000, 0.0015449200000000, -0.0031971800000000 ] - [ 0.0003943800000000, -0.0000059900000000, 0.0008887300000000 ] - [ -0.0001369600000000, 0.0002021700000000, -0.0009130500000000 ] - [ -0.0005359800000000, -0.0004529900000000, 0.0001012900000000 ] - [ -0.0005359800000000, 0.0004529900000000, 0.0001012900000000 ] - [ 0.0000248300000000, 0.0000000000000000, -0.0007586700000000 ] - [ -0.0006765900000000, 0.0009888200000000, -0.0014006200000000 ] - [ 0.0008696600000000, -0.0017757800000000, 0.0013124700000000 ] - [ 0.0000248200000000, -0.0002303800000000, 0.0015232100000000 ] - [ -0.0001426600000000, 0.0001516400000000, -0.0007676100000000 ] - [ -0.0002095900000000, -0.0002650000000000, 0.0006383300000000 ] - [ 0.0006844800000000, 0.0001109100000000, 0.0000802100000000 ] - [ -0.0000753700000000, -0.0001050000000000, -0.0009080200000000 ] - [ 0.0008696600000000, 0.0017757800000000, 0.0013124700000000 ] - [ -0.0001785200000000, -0.0007023800000000, 0.0003457300000000 ] - [ -0.0001785200000000, 0.0007023800000000, 0.0003457300000000 ] - [ 0.0002534900000000, -0.0002937500000000, -0.0010406500000000 ] - [ -0.0001426600000000, -0.0001516400000000, -0.0007676100000000 ] - [ 0.0012317100000000, 0.0000000000000000, -0.0016141000000000 ] - [ -0.0037750100000000, -0.0065560700000000, 0.0058783700000000 ] - [ -0.0000030600000000, 0.0000278200000000, 0.0035077900000000 ] - [ -0.0000653600000000, -0.0001113000000000, -0.0020319100000000 ] - [ -0.0012626400000000, 0.0021513200000000, -0.0019867400000000 ] - [ 0.0001414000000000, 0.0002498800000000, -0.0010619000000000 ] - [ -0.0012626400000000, -0.0021513200000000, -0.0019867400000000 ] - [ -0.0021423200000000, 0.0000000000000000, -0.0013461400000000 ] - [ 0.0001325800000000, 0.0000000000000000, -0.0024178400000000 ] - [ 0.0000104200000000, 0.0004129400000000, -0.0022382300000000 ] - [ -0.0000135700000000, 0.0000000000000000, -0.0022333800000000 ] - [ -0.0001735600000000, 0.0000000000000000, -0.0052303200000000 ] - [ -0.0000653600000000, 0.0001113000000000, -0.0020319100000000 ] - [ 0.0000104200000000, -0.0004129400000000, -0.0022382300000000 ] - [ 0.0075932100000000, 0.0000000000000000, 0.0058205600000000 ] - [ -0.0037750100000000, 0.0065560700000000, 0.0058783700000000 ] - [ 0.0001414000000000, -0.0002498800000000, -0.0010619000000000 ] - [ -0.0024067700000000, 0.0000000000000000, 0.3741829100000000 ] - [ 0.0007417600000000, -0.0013294300000000, -0.0017207900000000 ] - [ 0.0007417600000000, 0.0013294300000000, -0.0017207900000000 ] - [ 0.0020350300000000, 0.0000000000000000, 0.0002944400000000 ] - [ -0.0000030600000000, -0.0000278200000000, 0.0035077900000000 ] - [ -0.0002935400000000, 0.0005223000000000, -0.0020235200000000 ] - [ -0.0002935400000000, -0.0005223000000000, -0.0020235200000000 ] - [ 0.0011779800000000, 0.0000000000000000, -0.0013655200000000 ] - [ -0.0009236000000000, 0.0000705700000000, 0.0003750300000000 ] - [ 0.0005152800000000, 0.0004723100000000, -0.0008528200000000 ] - [ -0.0066541400000000, 0.0000000000000000, 0.0003069900000000 ] - [ -0.0004295000000000, 0.0007648400000000, 0.0012357400000000 ] - [ 0.0000166700000000, -0.0000172200000000, 0.0003747300000000 ] - [ 0.0000275300000000, 0.0000727000000000, 0.0004244800000000 ] - [ 0.0006524900000000, 0.0000000000000000, 0.0014895000000000 ] - [ -0.0002850500000000, -0.0005750700000000, 0.0012180100000000 ] - [ -0.0012682500000000, 0.0000000000000000, -0.0009101600000000 ] - [ -0.0001119100000000, 0.0000000000000000, 0.0015324700000000 ] - [ -0.0019717200000000, 0.0010286500000000, -0.0006373100000000 ] - [ 0.0022733800000000, 0.0000000000000000, 0.0016285200000000 ] - [ 0.0001946500000000, 0.0011691200000000, 0.0002805100000000 ] - [ 0.0000166700000000, 0.0000172200000000, 0.0003747300000000 ] - [ 0.0004039800000000, -0.0008335000000000, -0.0038480100000000 ] - [ 0.0001089700000000, 0.0000861200000000, 0.0004385800000000 ] - [ 0.0009586500000000, -0.0007406800000000, 0.0002658800000000 ] - [ -0.0009180400000000, 0.0000000000000000, 0.0003806400000000 ] - [ -0.0000305500000000, -0.0000476200000000, 0.0005819600000000 ] - [ 0.0018031900000000, -0.0009451400000000, -0.0006589100000000 ] - [ -0.0002143400000000, 0.0003409700000000, 0.0007247000000000 ] - [ -0.0000527100000000, -0.0000973000000000, 0.0003648500000000 ] - [ -0.0000021900000000, 0.0000945000000000, 0.0002031300000000 ] - [ 0.0000604400000000, 0.0002164400000000, 0.0015388800000000 ] - [ 0.0002552300000000, -0.0006815300000000, -0.0012869300000000 ] - [ 0.0004039800000000, 0.0008335000000000, -0.0038480100000000 ] - [ -0.0000013300000000, 0.0000057000000000, 0.0013765300000000 ] - [ 0.0035334300000000, -0.0057137100000000, 0.0001758500000000 ] - [ 0.0002114000000000, 0.0003586200000000, 0.0019804700000000 ] - [ 0.0166764100000000, 0.0000000000000000, 0.0258596600000000 ] - [ -0.0009236000000000, -0.0000705700000000, 0.0003750300000000 ] - [ -0.0000812100000000, 0.0000000000000000, 0.0005551400000000 ] - [ -0.0000221300000000, 0.0001108600000000, 0.0004354900000000 ] - [ 0.0000529600000000, 0.0000497400000000, 0.0005843100000000 ] - [ 0.0000808200000000, 0.0001839300000000, 0.0006187300000000 ] - [ -0.0000753200000000, 0.0000830300000000, 0.0002021000000000 ] - [ 0.0000129900000000, -0.0021281700000000, -0.0006638400000000 ] - [ 0.0029455100000000, 0.0000000000000000, -0.4680738900000000 ] - [ 0.0000275300000000, -0.0000727000000000, 0.0004244800000000 ] - [ -0.0005233900000000, -0.0009392000000000, 0.0008310400000000 ] - [ 0.0001089700000000, -0.0000861200000000, 0.0004385800000000 ] - [ 0.0000129900000000, 0.0021281700000000, -0.0006638400000000 ] - [ -0.0006890500000000, -0.0000157000000000, -0.0008501700000000 ] - [ 0.0000808200000000, -0.0001839300000000, 0.0006187300000000 ] - [ -0.0002850500000000, 0.0005750700000000, 0.0012180100000000 ] - [ -0.0006890500000000, 0.0000157000000000, -0.0008501700000000 ] - [ 0.0001965400000000, 0.0003050100000000, 0.0007310500000000 ] - [ -0.0000527100000000, 0.0000973000000000, 0.0003648500000000 ] - [ -0.0004295000000000, -0.0007648400000000, 0.0012357400000000 ] - [ 0.0001093800000000, 0.0000000000000000, 0.0037024700000000 ] - [ -0.0005233900000000, 0.0009392000000000, 0.0008310400000000 ] - [ -0.0000753200000000, -0.0000830300000000, 0.0002021000000000 ] - [ -0.0000697000000000, 0.0001687700000000, 0.0005068000000000 ] - [ -0.0004949800000000, -0.0001944600000000, 0.0006892700000000 ] - [ -0.0000013300000000, -0.0000057000000000, 0.0013765300000000 ] - [ 0.0004280900000000, 0.0000000000000000, 0.0009379300000000 ] - [ 0.0001965400000000, -0.0003050100000000, 0.0007310500000000 ] - [ 0.0002714300000000, 0.0000000000000000, 0.0007710300000000 ] - [ 0.0005152800000000, -0.0004723100000000, -0.0008528200000000 ] - [ 0.0035334300000000, 0.0057137100000000, 0.0001758500000000 ] - [ -0.0002143400000000, -0.0003409700000000, 0.0007247000000000 ] - [ -0.0000697000000000, -0.0001687700000000, 0.0005068000000000 ] - [ -0.0000316800000000, -0.0000400100000000, -0.0025351000000000 ] - [ -0.0008052500000000, 0.0000000000000000, -0.0038570900000000 ] - [ 0.0002552300000000, 0.0006815300000000, -0.0012869300000000 ] - [ 0.0002114000000000, -0.0003586200000000, 0.0019804700000000 ] - [ 0.0009586500000000, 0.0007406800000000, 0.0002658800000000 ] - [ 0.0009061200000000, 0.0016324900000000, -0.0007341300000000 ] - [ -0.0000305500000000, 0.0000476200000000, 0.0005819600000000 ] - [ -0.0000221300000000, -0.0001108600000000, 0.0004354900000000 ] - [ 0.0001946500000000, -0.0011691200000000, 0.0002805100000000 ] - [ -0.0000021900000000, -0.0000945000000000, 0.0002031300000000 ] - [ 0.0009061200000000, -0.0016324900000000, -0.0007341300000000 ] - [ 0.0000937700000000, 0.0005296400000000, 0.0006889200000000 ] - [ 0.0018031900000000, 0.0009451400000000, -0.0006589100000000 ] - [ 0.0000937700000000, -0.0005296400000000, 0.0006889200000000 ] - [ 0.0000604400000000, -0.0002164400000000, 0.0015388800000000 ] - [ -0.0000899700000000, 0.0000000000000000, 0.0013155600000000 ] - [ 0.0000529600000000, -0.0000497400000000, 0.0005843100000000 ] - [ -0.0084256500000000, -0.0135871200000000, 0.0253444300000000 ] - [ -0.0004949800000000, 0.0001944600000000, 0.0006892700000000 ] - [ -0.0019717200000000, -0.0010286500000000, -0.0006373100000000 ] - [ -0.0000316800000000, 0.0000400100000000, -0.0025351000000000 ] - [ -0.0084256500000000, 0.0135871200000000, 0.0253444300000000 ] - [ -0.0001839300000000, -0.0003933800000000, 0.0005859300000000 ] - [ -0.0000724400000000, -0.0001092400000000, 0.0000103000000000 ] - [ -0.0000073000000000, 0.0000067900000000, 0.0007165600000000 ] - [ -0.0001752600000000, 0.0000000000000000, 0.0017371900000000 ] - [ -0.0013355200000000, -0.0023306200000000, -0.0002780100000000 ] - [ -0.0000073000000000, -0.0000067900000000, 0.0007165600000000 ] - [ 0.0022787700000000, 0.0000000000000000, -0.0003784500000000 ] - [ 0.0001161100000000, 0.0002009000000000, 0.0006246400000000 ] - [ -0.0001839300000000, 0.0003933800000000, 0.0005859300000000 ] - [ -0.0000529100000000, 0.0001123200000000, 0.0003639300000000 ] - [ 0.0004002700000000, 0.0000000000000000, 0.0005992900000000 ] - [ -0.0013355200000000, 0.0023306200000000, -0.0002780100000000 ] - [ 0.0000844600000000, 0.0000000000000000, 0.0003476200000000 ] - [ 0.0001161100000000, -0.0002009000000000, 0.0006246400000000 ] - [ -0.0000529100000000, -0.0001123200000000, 0.0003639300000000 ] - [ -0.0001625900000000, 0.0000000000000000, 0.0092732200000000 ] - [ -0.0000069800000000, 0.0000000000000000, 0.0010039900000000 ] - [ -0.0000724400000000, 0.0001092400000000, 0.0000103000000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000439900000000, -0.0000387800000000, -0.0004549000000000 ] - [ -0.0025032500000000, -0.0007265400000000, -0.0027191700000000 ] - [ 0.0001479500000000, -0.0001501000000000, -0.0003552800000000 ] - [ 0.0021879200000000, -0.0019345700000000, -0.0024529200000000 ] - [ -0.0000873500000000, 0.0001594300000000, 0.0004305800000000 ] - [ -0.0001197700000000, -0.0001965800000000, 0.0006775600000000 ] - [ 0.0002308000000000, -0.0000160800000000, 0.0006766000000000 ] - [ -0.0000873500000000, -0.0001594300000000, 0.0004305800000000 ] - [ -0.0000736300000000, 0.0002302100000000, 0.0004210000000000 ] - [ -0.0001513800000000, 0.0002822000000000, 0.0008952100000000 ] - [ 0.0021879200000000, 0.0019345700000000, -0.0024529200000000 ] - [ -0.0001620400000000, -0.0003698700000000, 0.0007602000000000 ] - [ 0.0001506200000000, -0.0003339500000000, 0.0004491900000000 ] - [ -0.0000982000000000, -0.0001496800000000, 0.0006175700000000 ] - [ 0.0002326400000000, -0.0000396600000000, 0.0005071400000000 ] - [ -0.0025032500000000, 0.0007265400000000, -0.0027191700000000 ] - [ 0.0002642600000000, 0.0000000000000000, -0.0014091500000000 ] - [ 0.0006215100000000, -0.0027333300000000, -0.0024930900000000 ] - [ -0.0009703700000000, 0.0018427000000000, 0.0032804800000000 ] - [ 0.0001506200000000, 0.0003339500000000, 0.0004491900000000 ] - [ 0.0002308000000000, 0.0000160800000000, 0.0006766000000000 ] - [ -0.0004078500000000, 0.0002297500000000, 0.0000232700000000 ] - [ 0.0000439900000000, 0.0000387800000000, -0.0004549000000000 ] - [ 0.0018842700000000, 0.0000000000000000, -0.0006083800000000 ] - [ 0.0021829200000000, 0.0000000000000000, 0.0034472000000000 ] - [ -0.0001328800000000, -0.0001680600000000, 0.0003242100000000 ] - [ -0.0003287400000000, 0.0000174200000000, 0.0005462000000000 ] - [ 0.0005216200000000, 0.0009311100000000, 0.0019040200000000 ] - [ -0.0000507800000000, 0.0002453800000000, -0.0004545800000000 ] - [ -0.0000982000000000, 0.0001496800000000, 0.0006175700000000 ] - [ 0.0004771800000000, 0.0000000000000000, 0.0009065900000000 ] - [ 0.0003457900000000, 0.0000000000000000, 0.0006777200000000 ] - [ 0.0001686900000000, 0.0000878600000000, 0.0006030500000000 ] - [ 0.0001686900000000, -0.0000878600000000, 0.0006030500000000 ] - [ 0.0002326400000000, 0.0000396600000000, 0.0005071400000000 ] - [ -0.0002831900000000, -0.0003439300000000, -0.0012706000000000 ] - [ -0.0001990500000000, 0.0003214200000000, 0.0007099700000000 ] - [ -0.0001620400000000, 0.0003698700000000, 0.0007602000000000 ] - [ -0.0001990500000000, -0.0003214200000000, 0.0007099700000000 ] - [ -0.0000736300000000, -0.0002302100000000, 0.0004210000000000 ] - [ 0.0002110100000000, -0.0002362600000000, 0.0004511800000000 ] - [ 0.0006215100000000, 0.0027333300000000, -0.0024930900000000 ] - [ -0.0003287400000000, -0.0000174200000000, 0.0005462000000000 ] - [ -0.0001197700000000, 0.0001965800000000, 0.0006775600000000 ] - [ -0.0009703700000000, -0.0018427000000000, 0.0032804800000000 ] - [ -0.0000507800000000, -0.0002453800000000, -0.0004545800000000 ] - [ -0.0001328800000000, 0.0001680600000000, 0.0003242100000000 ] - [ 0.0002896500000000, 0.0002708200000000, -0.0000029800000000 ] - [ 0.0002896500000000, -0.0002708200000000, -0.0000029800000000 ] - [ 0.0002026800000000, 0.0000000000000000, 0.0004270700000000 ] - [ 0.0005216200000000, -0.0009311100000000, 0.0019040200000000 ] - [ -0.0011413600000000, 0.0017357200000000, -0.0010691200000000 ] - [ -0.0002831900000000, 0.0003439300000000, -0.0012706000000000 ] - [ -0.0001657400000000, 0.0001763000000000, 0.0005085300000000 ] - [ 0.0001479500000000, 0.0001501000000000, -0.0003552800000000 ] - [ -0.0004078500000000, -0.0002297500000000, 0.0000232700000000 ] - [ -0.0001513800000000, -0.0002822000000000, 0.0008952100000000 ] - [ -0.0011413600000000, -0.0017357200000000, -0.0010691200000000 ] - [ 0.0000410200000000, 0.0004540000000000, 0.0002382900000000 ] - [ 0.0000410200000000, -0.0004540000000000, 0.0002382900000000 ] - [ 0.0002110100000000, 0.0002362600000000, 0.0004511800000000 ] - [ -0.0001657400000000, -0.0001763000000000, 0.0005085300000000 ] - [ -0.0009562400000000, 0.0000000000000000, 0.0017358400000000 ] - [ 0.0038169300000000, 0.0064429400000000, -0.0052802700000000 ] - [ -0.0000647200000000, 0.0000868200000000, -0.0032563800000000 ] - [ 0.0000641400000000, 0.0001062900000000, 0.0021845700000000 ] - [ 0.0012557500000000, -0.0021396600000000, 0.0009896300000000 ] - [ 0.0001401300000000, 0.0002385900000000, 0.0009607700000000 ] - [ 0.0012557500000000, 0.0021396600000000, 0.0009896300000000 ] - [ 0.0021387800000000, 0.0000000000000000, 0.0022385700000000 ] - [ -0.0001322100000000, 0.0000000000000000, 0.0017310600000000 ] - [ 0.0002233500000000, -0.0000062200000000, 0.0017549900000000 ] - [ -0.0004512800000000, 0.0000000000000000, 0.0017467300000000 ] - [ -0.0003922700000000, 0.0000000000000000, 0.0051102600000000 ] - [ 0.0000641400000000, -0.0001062900000000, 0.0021845700000000 ] - [ 0.0002233500000000, 0.0000062200000000, 0.0017549900000000 ] - [ -0.0076718000000000, 0.0000000000000000, -0.0052249900000000 ] - [ 0.0038169300000000, -0.0064429400000000, -0.0052802700000000 ] - [ 0.0001401300000000, -0.0002385900000000, 0.0009607700000000 ] - [ 0.0023156400000000, 0.0000000000000000, -0.3477901100000000 ] - [ -0.0007395200000000, 0.0013163100000000, 0.0011190500000000 ] - [ -0.0007395200000000, -0.0013163100000000, 0.0011190500000000 ] - [ -0.0020217200000000, 0.0000000000000000, 0.0004129000000000 ] - [ -0.0000647200000000, -0.0000868200000000, -0.0032563800000000 ] - [ 0.0002836600000000, -0.0005086800000000, 0.0017764000000000 ] - [ 0.0002836600000000, 0.0005086800000000, 0.0017764000000000 ] - [ -0.0011606500000000, 0.0000000000000000, 0.0016915800000000 ] - [ 0.0010357500000000, -0.0002719900000000, -0.0001261500000000 ] - [ -0.0000852000000000, -0.0002816400000000, 0.0013858800000000 ] - [ 0.0072785100000000, 0.0000000000000000, 0.0001244300000000 ] - [ 0.0004282000000000, -0.0007633800000000, -0.0001574800000000 ] - [ 0.0001821700000000, 0.0002916500000000, -0.0010198700000000 ] - [ 0.0001301700000000, 0.0001928200000000, -0.0005117000000000 ] - [ -0.0009527400000000, 0.0000000000000000, -0.0015709500000000 ] - [ 0.0005537800000000, 0.0007173900000000, -0.0017062000000000 ] - [ 0.0012599000000000, 0.0000000000000000, 0.0000713300000000 ] - [ 0.0001935200000000, 0.0000000000000000, -0.0010685100000000 ] - [ 0.0014644200000000, -0.0006404100000000, 0.0010211700000000 ] - [ -0.0011585600000000, 0.0000000000000000, -0.0008139000000000 ] - [ -0.0018511100000000, -0.0012098100000000, -0.0012541800000000 ] - [ 0.0001821700000000, -0.0002916500000000, -0.0010198700000000 ] - [ -0.0004938500000000, 0.0006749000000000, 0.0036374300000000 ] - [ -0.0004421900000000, -0.0000501000000000, -0.0010826300000000 ] - [ -0.0000875600000000, 0.0021464200000000, -0.0012399000000000 ] - [ 0.0006785200000000, 0.0000000000000000, -0.0001316600000000 ] - [ 0.0002968300000000, 0.0004934900000000, -0.0008283100000000 ] - [ -0.0012191900000000, 0.0011839800000000, 0.0010429400000000 ] - [ 0.0000889100000000, -0.0001239600000000, -0.0007151900000000 ] - [ -0.0000795500000000, -0.0001390000000000, -0.0007432600000000 ] - [ -0.0000029600000000, 0.0002115000000000, -0.0006950800000000 ] - [ -0.0001046200000000, -0.0001431600000000, -0.0010749500000000 ] - [ -0.0000230500000000, 0.0002819400000000, 0.0009335100000000 ] - [ -0.0004938500000000, -0.0006749000000000, 0.0036374300000000 ] - [ 0.0000030900000000, -0.0000059300000000, -0.0013988300000000 ] - [ -0.0036057700000000, 0.0063279500000000, 0.0002065300000000 ] - [ -0.0002127200000000, -0.0003563800000000, -0.0003409500000000 ] - [ -0.0166476500000000, 0.0000000000000000, -0.0256352800000000 ] - [ 0.0010357500000000, 0.0002719900000000, -0.0001261500000000 ] - [ -0.0001302900000000, 0.0000000000000000, -0.0008900000000000 ] - [ 0.0001585000000000, -0.0004145700000000, -0.0010789700000000 ] - [ -0.0005826400000000, -0.0000397200000000, -0.0008314200000000 ] - [ 0.0001733800000000, 0.0002810100000000, -0.0008659700000000 ] - [ -0.0001841700000000, 0.0000787300000000, -0.0006951600000000 ] - [ -0.0003312200000000, 0.0015778200000000, 0.0010979400000000 ] - [ -0.0025839500000000, 0.0000000000000000, 0.4402540600000000 ] - [ 0.0001301700000000, -0.0001928200000000, -0.0005117000000000 ] - [ 0.0004391500000000, 0.0007853100000000, -0.0005095300000000 ] - [ -0.0004421900000000, 0.0000501000000000, -0.0010826300000000 ] - [ -0.0003312200000000, -0.0015778200000000, 0.0010979400000000 ] - [ 0.0003162100000000, 0.0002873000000000, 0.0013824400000000 ] - [ 0.0001733800000000, -0.0002810100000000, -0.0008659700000000 ] - [ 0.0005537800000000, -0.0007173900000000, -0.0017062000000000 ] - [ 0.0003162100000000, -0.0002873000000000, 0.0013824400000000 ] - [ -0.0007476300000000, 0.0006557500000000, 0.0000823700000000 ] - [ -0.0000795500000000, 0.0001390000000000, -0.0007432600000000 ] - [ 0.0004282000000000, 0.0007633800000000, -0.0001574800000000 ] - [ 0.0001649500000000, 0.0000000000000000, -0.0040671500000000 ] - [ 0.0004391500000000, -0.0007853100000000, -0.0005095300000000 ] - [ -0.0001841700000000, -0.0000787300000000, -0.0006951600000000 ] - [ 0.0001693200000000, -0.0003496200000000, -0.0008416700000000 ] - [ 0.0006612800000000, 0.0001972500000000, -0.0003669400000000 ] - [ 0.0000030900000000, 0.0000059300000000, -0.0013988300000000 ] - [ -0.0004252900000000, 0.0000000000000000, -0.0018142400000000 ] - [ -0.0007476300000000, -0.0006557500000000, 0.0000823700000000 ] - [ -0.0000199400000000, 0.0000000000000000, -0.0007611900000000 ] - [ -0.0000852000000000, 0.0002816400000000, 0.0013858800000000 ] - [ -0.0036057700000000, -0.0063279500000000, 0.0002065300000000 ] - [ 0.0000889100000000, 0.0001239600000000, -0.0007151900000000 ] - [ 0.0001693200000000, 0.0003496200000000, -0.0008416700000000 ] - [ -0.0000290400000000, -0.0000712500000000, 0.0020209200000000 ] - [ 0.0009733500000000, 0.0000000000000000, 0.0036457400000000 ] - [ -0.0000230500000000, -0.0002819400000000, 0.0009335100000000 ] - [ -0.0002127200000000, 0.0003563800000000, -0.0003409500000000 ] - [ -0.0000875600000000, -0.0021464200000000, -0.0012399000000000 ] - [ -0.0001167400000000, -0.0001641300000000, -0.0002452900000000 ] - [ 0.0002968300000000, -0.0004934900000000, -0.0008283100000000 ] - [ 0.0001585000000000, 0.0004145700000000, -0.0010789700000000 ] - [ -0.0018511100000000, 0.0012098100000000, -0.0012541800000000 ] - [ -0.0000029600000000, -0.0002115000000000, -0.0006950800000000 ] - [ -0.0001167400000000, 0.0001641300000000, -0.0002452900000000 ] - [ -0.0001786800000000, -0.0006656800000000, -0.0003646500000000 ] - [ -0.0012191900000000, -0.0011839800000000, 0.0010429400000000 ] - [ -0.0001786800000000, 0.0006656800000000, -0.0003646500000000 ] - [ -0.0001046200000000, 0.0001431600000000, -0.0010749500000000 ] - [ 0.0000866200000000, 0.0000000000000000, -0.0013934100000000 ] - [ -0.0005826400000000, 0.0000397200000000, -0.0008314200000000 ] - [ 0.0081279000000000, 0.0136369900000000, -0.0242619700000000 ] - [ 0.0006612800000000, -0.0001972500000000, -0.0003669400000000 ] - [ 0.0014644200000000, 0.0006404100000000, 0.0010211700000000 ] - [ -0.0000290400000000, 0.0000712500000000, 0.0020209200000000 ] - [ 0.0081279000000000, -0.0136369900000000, -0.0242619700000000 ] - [ 0.0002256200000000, 0.0003107800000000, -0.0006375600000000 ] - [ -0.0000447900000000, -0.0000963300000000, 0.0002001900000000 ] - [ 0.0000034500000000, -0.0000116300000000, -0.0005580700000000 ] - [ -0.0002812200000000, 0.0000000000000000, -0.0013916800000000 ] - [ 0.0013534400000000, 0.0022657800000000, 0.0002934400000000 ] - [ 0.0000034500000000, 0.0000116300000000, -0.0005580700000000 ] - [ -0.0023192300000000, 0.0000000000000000, 0.0003943200000000 ] - [ 0.0001170100000000, 0.0001971600000000, -0.0002845600000000 ] - [ 0.0002256200000000, -0.0003107800000000, -0.0006375600000000 ] - [ 0.0000687000000000, -0.0000913200000000, -0.0010628200000000 ] - [ -0.0004939700000000, 0.0000000000000000, -0.0006480000000000 ] - [ 0.0013534400000000, -0.0022657800000000, 0.0002934400000000 ] - [ -0.0000995800000000, 0.0000000000000000, -0.0010491000000000 ] - [ 0.0001170100000000, -0.0001971600000000, -0.0002845600000000 ] - [ 0.0000687000000000, 0.0000913200000000, -0.0010628200000000 ] - [ 0.0004045500000000, 0.0000000000000000, -0.0091162000000000 ] - [ -0.0000051800000000, 0.0000000000000000, -0.0008432600000000 ] - [ -0.0000447900000000, 0.0000963300000000, 0.0002001900000000 ]- atom: 127 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010968600000000, -0.0005003600000000, -0.0001901700000000 ] - [ -0.0000586000000000, -0.0000053600000000, 0.0000999100000000 ] - [ -0.0006346300000000, 0.0002467300000000, -0.0000251500000000 ] - [ 0.0000728800000000, -0.0000916800000000, 0.0000496800000000 ] - [ -0.0010146800000000, 0.0003655900000000, 0.0000714500000000 ] - [ -0.0001623600000000, -0.0001469200000000, 0.0002446400000000 ] - [ 0.0003215400000000, -0.0000132200000000, 0.0000563900000000 ] - [ -0.0002004700000000, -0.0002348600000000, -0.0002082800000000 ] - [ -0.0028003200000000, -0.0024725600000000, -0.0004489600000000 ] - [ -0.0000984600000000, 0.0001049100000000, -0.0006318600000000 ] - [ 0.0000130200000000, 0.0002856800000000, -0.0000600300000000 ] - [ 0.0024276800000000, -0.0005060900000000, -0.0009301000000000 ] - [ -0.0000731200000000, -0.0001913000000000, -0.0003371700000000 ] - [ -0.0027869000000000, 0.0022280900000000, -0.0003028300000000 ] - [ 0.0002056100000000, 0.0004799800000000, -0.0001163900000000 ] - [ -0.0001681700000000, -0.0001442400000000, 0.0002812200000000 ] - [ 0.0000296300000000, 0.0000450200000000, 0.0000943900000000 ] - [ 0.0000407200000000, -0.0000052700000000, 0.0000290400000000 ] - [ -0.0000021400000000, 0.0001688400000000, 0.0000163200000000 ] - [ -0.0000589700000000, 0.0002301500000000, -0.0003343700000000 ] - [ -0.0001158700000000, 0.0000306500000000, -0.0002456100000000 ] - [ 0.0000947200000000, 0.0000647100000000, -0.0000033300000000 ] - [ -0.0005314400000000, -0.0003709800000000, -0.0000001500000000 ] - [ -0.0004478800000000, -0.0005006800000000, 0.0007824500000000 ] - [ 0.0001838800000000, 0.0000258600000000, 0.0002390700000000 ] - [ -0.0001072900000000, -0.0001971800000000, -0.0003295200000000 ] - [ -0.0000592100000000, 0.0000600300000000, -0.0002200100000000 ] - [ -0.0005904400000000, -0.0013825400000000, 0.0004551000000000 ] - [ 0.0002353500000000, 0.0003761300000000, 0.0002854700000000 ] - [ -0.0001028500000000, 0.0003660400000000, 0.0002743100000000 ] - [ 0.0006555100000000, -0.0000190500000000, -0.0000140600000000 ] - [ -0.0005244700000000, -0.0008053600000000, -0.0008446200000000 ] - [ 0.0005186700000000, -0.0005244100000000, 0.0004853400000000 ] - [ -0.0014324700000000, 0.0000806400000000, 0.0004432400000000 ] - [ -0.0006285900000000, 0.0001000700000000, 0.0032666300000000 ] - [ -0.0001491200000000, -0.0001694900000000, -0.0000837300000000 ] - [ -0.0002216800000000, 0.0002488200000000, 0.0002630100000000 ] - [ 0.0003198600000000, -0.0004738100000000, -0.0005017700000000 ] - [ -0.0001071100000000, -0.0001204200000000, -0.0003681800000000 ] - [ 0.0000023000000000, 0.0016004600000000, 0.0005344400000000 ] - [ 0.0002152200000000, -0.0000121800000000, -0.0003335600000000 ] - [ 0.0004001200000000, -0.0000363200000000, 0.0001315100000000 ] - [ -0.0001022800000000, -0.0001059200000000, -0.0002837600000000 ] - [ -0.0001391300000000, 0.0003037700000000, 0.0000691100000000 ] - [ -0.0000364000000000, -0.0001947900000000, 0.0000041600000000 ] - [ -0.0006158100000000, -0.0000129100000000, -0.0015970200000000 ] - [ -0.0001769700000000, 0.0002179100000000, -0.0003910900000000 ] - [ -0.0001385900000000, -0.0000719000000000, -0.0000320300000000 ] - [ -0.0001206800000000, 0.0001020100000000, -0.0000098700000000 ] - [ 0.0000797600000000, 0.0000169500000000, -0.0002027500000000 ] - [ 0.0038999700000000, 0.0000623300000000, -0.0002206600000000 ] - [ 0.0000504700000000, -0.0003246000000000, 0.0005940400000000 ] - [ -0.0002015600000000, 0.0001290900000000, 0.0002051700000000 ] - [ 0.0007398400000000, 0.0008221500000000, -0.0002520500000000 ] - [ -0.0000478000000000, -0.0001694700000000, 0.0001844700000000 ] - [ 0.0001480300000000, -0.0000820700000000, -0.0000204200000000 ] - [ -0.0002006500000000, -0.0004211100000000, -0.0000704700000000 ] - [ 0.0013597800000000, 0.0005592700000000, 0.0020434400000000 ] - [ -0.0000428600000000, -0.0001097900000000, 0.0002338700000000 ] - [ -0.0000837800000000, 0.0001020400000000, 0.0002093400000000 ] - [ 0.0002893900000000, -0.0000084500000000, -0.0004115700000000 ] - [ -0.0010028700000000, -0.0003112900000000, 0.0002188700000000 ] - [ 0.0035355400000000, -0.0025120400000000, 0.0006683100000000 ] - [ -0.0001067500000000, -0.0024864000000000, -0.0003580600000000 ] - [ -0.0003647900000000, 0.0000740300000000, -0.0004680300000000 ] - [ 0.0006677300000000, 0.0001413300000000, 0.0001793000000000 ] - [ -0.0000231900000000, 0.0000068500000000, -0.0006514500000000 ] - [ 0.0002044700000000, 0.0003344600000000, -0.0002379500000000 ] - [ 0.0000941900000000, 0.0000262300000000, -0.0007699300000000 ] - [ -0.0027534800000000, 0.0001955900000000, 0.0004671200000000 ] - [ -0.0006362800000000, -0.0001379800000000, -0.0005627600000000 ] - [ -0.0030736700000000, 0.0031245000000000, -0.0042919800000000 ] - [ 0.0011194000000000, 0.0018063000000000, 0.0021814200000000 ] - [ -0.0002103400000000, -0.0001024500000000, -0.0002996300000000 ] - [ -0.0002280900000000, 0.0002523900000000, -0.0000308800000000 ] - [ 0.0004429600000000, -0.0027967800000000, 0.0012048500000000 ] - [ 0.0008686300000000, 0.0016940000000000, -0.0003530400000000 ] - [ -0.0017773900000000, 0.0027439300000000, 0.0018273700000000 ] - [ -0.0000115000000000, -0.0002302900000000, -0.0001716000000000 ] - [ 0.0002359100000000, -0.0000654600000000, 0.0006426400000000 ] - [ -0.0003524200000000, -0.0012666800000000, -0.0000178200000000 ] - [ 0.1445394500000000, 0.1047820200000000, 0.0429220400000000 ] - [ -0.0000646400000000, -0.0000317700000000, 0.0002258200000000 ] - [ 0.0001312100000000, -0.0000179300000000, -0.0000732800000000 ] - [ 0.0000490500000000, -0.0000084500000000, -0.0001300400000000 ] - [ -0.0001852300000000, -0.0001762400000000, 0.0005150400000000 ] - [ 0.0001893000000000, 0.0000895600000000, 0.0001063400000000 ] - [ 0.0000783600000000, -0.0000936400000000, 0.0001773800000000 ] - [ 0.0002842500000000, 0.0000453700000000, 0.0004371300000000 ] - [ -0.0004381000000000, -0.0005284100000000, 0.0002715000000000 ] - [ 0.0000936900000000, 0.0002598100000000, 0.0003384700000000 ] - [ -0.0001225700000000, -0.0000631200000000, -0.0002810600000000 ] - [ 0.0000276500000000, 0.0000530600000000, 0.0000534400000000 ] - [ -0.0001897600000000, 0.0000175300000000, 0.0000401100000000 ] - [ 0.0001246600000000, 0.0001103300000000, -0.0001658900000000 ] - [ 0.0000295900000000, 0.0000115400000000, -0.0003378700000000 ] - [ 0.0001792800000000, -0.0013238600000000, -0.0011085400000000 ] - [ -0.0003084600000000, -0.0003078100000000, 0.0001681800000000 ] - [ 0.0024642900000000, 0.0004772500000000, 0.0004897200000000 ] - [ -0.0008776500000000, -0.0000409300000000, -0.0003949300000000 ] - [ 0.0002424300000000, -0.0003188900000000, -0.0002374000000000 ] - [ 0.0002397100000000, -0.0005936600000000, -0.0010784800000000 ] - [ -0.0007609900000000, -0.0000786400000000, -0.0003803700000000 ] - [ 0.0004196900000000, 0.0006873800000000, -0.0004329500000000 ] - [ -0.0000868900000000, -0.0000002000000000, 0.0001701000000000 ] - [ -0.0000249500000000, -0.0007656500000000, -0.0007498000000000 ] - [ 0.0012954900000000, -0.0003321300000000, 0.0000973700000000 ] - [ 0.0002094700000000, 0.0001193200000000, 0.0000334500000000 ] - [ -0.0000824400000000, -0.0001300300000000, -0.0000623700000000 ] - [ 0.0000323100000000, 0.0001504000000000, -0.0002341700000000 ] - [ -0.0000747900000000, 0.0012708400000000, -0.0005639200000000 ] - [ 0.0001884900000000, -0.0001647700000000, -0.0000049200000000 ] - [ -0.0000420200000000, 0.0005336500000000, 0.0003005000000000 ] - [ 0.0001065100000000, -0.0000603400000000, 0.0000449500000000 ] - [ 0.0014356000000000, -0.0011423500000000, -0.0017946100000000 ] - [ -0.0000329600000000, -0.0000102200000000, 0.0009735900000000 ] - [ -0.0004366300000000, -0.0000329900000000, -0.0002787900000000 ] - [ 0.0000964400000000, 0.0001310800000000, 0.0001807600000000 ] - [ -0.0015280600000000, -0.0003086500000000, -0.0006535000000000 ] - [ -0.0001652200000000, -0.0000848700000000, -0.0003304300000000 ] - [ -0.0006549400000000, 0.0003813800000000, -0.0004522600000000 ] - [ 0.0006325600000000, 0.0016298200000000, -0.0004791400000000 ] - [ -0.0000080600000000, 0.0000747800000000, -0.0001785800000000 ] - [ -0.0002008700000000, -0.0010340000000000, -0.0002000700000000 ] - [ -0.0000339700000000, 0.0000721400000000, -0.0007362600000000 ] - [ 0.0001135200000000, -0.0001332500000000, -0.0000405500000000 ] - [ -0.1598146500000000, -0.1447749100000000, -0.0585643800000000 ] - [ -0.0000048600000000, 0.0000107300000000, -0.0002937000000000 ] - [ -0.0001599600000000, 0.0017088200000000, 0.0010653400000000 ] - [ -0.0002658700000000, 0.0001772400000000, 0.0003407000000000 ] - [ 0.0019543200000000, -0.0011604900000000, 0.0013852300000000 ] - [ 0.0000833000000000, 0.0000005800000000, -0.0001131300000000 ] - [ 0.0001235000000000, -0.0001439600000000, 0.0004349600000000 ] - [ 0.0008584300000000, -0.0001275400000000, 0.0002469700000000 ] - [ -0.0000267800000000, 0.0001166200000000, -0.0000809600000000 ] - [ -0.0118778300000000, 0.0091812100000000, 0.0082839900000000 ] - [ 0.0001149200000000, 0.0000220100000000, -0.0000412600000000 ] - [ -0.0003371800000000, 0.0008996800000000, 0.0000092500000000 ] - [ -0.0001512900000000, -0.0000855000000000, -0.0002020400000000 ] - [ -0.0000421000000000, 0.0013196600000000, -0.0007950300000000 ] - [ 0.0307700700000000, 0.0393512700000000, 0.0071702500000000 ] - [ -0.0010189100000000, -0.0002625100000000, -0.0002137500000000 ] - [ 0.0006858600000000, 0.0000704500000000, -0.0004509500000000 ] - [ 0.0004561100000000, -0.0000874200000000, 0.0002155400000000 ] - [ 0.0005377600000000, 0.0001630700000000, 0.0002587800000000 ] - [ 0.0001811900000000, -0.0000776100000000, 0.0003518300000000 ] - [ 0.0004403400000000, 0.0009211500000000, -0.0000984700000000 ] - [ 0.0001237200000000, 0.0000320100000000, -0.0000380700000000 ] - [ 0.0000741800000000, -0.0012027400000000, 0.0007155700000000 ] - [ -0.0001398500000000, -0.0000480400000000, -0.0001382500000000 ] - [ -0.0001111600000000, -0.0002981200000000, 0.0002396600000000 ] - [ 0.0000010400000000, 0.0001146300000000, -0.0001175200000000 ] - [ 0.0000072700000000, -0.0000046400000000, 0.0009211700000000 ] - [ 0.0003913500000000, -0.0006986800000000, -0.0003704900000000 ] - [ 0.0003515800000000, 0.0006912300000000, -0.0003621500000000 ] - [ 0.0001340300000000, -0.0009568700000000, -0.0007428400000000 ] - [ 0.0000343800000000, 0.0000683200000000, -0.0003022200000000 ] - [ -0.0007916500000000, 0.0000366000000000, -0.0004263500000000 ] - [ -0.0000099500000000, -0.0001719500000000, -0.0002009500000000 ] - [ 0.0003975600000000, -0.0007264900000000, -0.0004339200000000 ] - [ 0.0007083000000000, 0.0006025800000000, 0.0001475700000000 ] - [ 0.0004307700000000, 0.0006179000000000, 0.0003896200000000 ] - [ -0.0165586600000000, -0.0119736200000000, -0.0003863200000000 ] - [ 0.0025892800000000, -0.0014826400000000, 0.0023634400000000 ] - [ 0.0001160300000000, 0.0000126600000000, 0.0001094200000000 ] - [ 0.0019256400000000, -0.0004376200000000, 0.0010033700000000 ] - [ 0.0000101100000000, 0.0003456400000000, 0.0001706700000000 ] - [ 0.0002922600000000, -0.0000112100000000, 0.0000062400000000 ] - [ -0.0004203900000000, -0.0014441500000000, 0.0009722100000000 ] - [ 0.0001914700000000, 0.0000446100000000, 0.0001936900000000 ] - [ -0.0000843900000000, -0.0002421300000000, 0.0001493800000000 ] - [ 0.0000276800000000, -0.0000166200000000, 0.0000257600000000 ] - [ -0.0003358600000000, -0.0001016200000000, -0.0000383000000000 ] - [ 0.0004116000000000, 0.0000127400000000, -0.0003288800000000 ] - [ 0.0011603600000000, 0.0048238600000000, 0.0020544000000000 ] - [ 0.0000311400000000, 0.0000347200000000, 0.0001167600000000 ] - [ -0.0001360900000000, -0.0002533300000000, 0.0001459700000000 ] - [ -0.0000395700000000, -0.0000357000000000, 0.0001106100000000 ] - [ -0.0000152600000000, -0.0000489000000000, 0.0000658300000000 ] - [ 0.0000225300000000, 0.0000232400000000, 0.0000563900000000 ] - [ 0.0000535700000000, -0.0000327300000000, -0.0000441600000000 ] - [ -0.0000599000000000, -0.0000190100000000, 0.0000224500000000 ] - [ 0.0000143800000000, 0.0000028200000000, -0.0000157900000000 ] - [ -0.0000412200000000, -0.0000288400000000, -0.0004133800000000 ] - [ 0.0026974900000000, -0.0005021400000000, -0.0008310200000000 ] - [ 0.0000087200000000, 0.0000632800000000, -0.0003864100000000 ] - [ 0.0004820100000000, 0.0029454400000000, -0.0021371200000000 ] - [ -0.0001826400000000, 0.0004198900000000, 0.0007308100000000 ] - [ 0.0018028200000000, 0.0000196800000000, 0.0011258200000000 ]- atom: 127 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010584300000000, 0.0009287900000000, 0.0006374300000000 ] - [ -0.0000539200000000, 0.0002323000000000, 0.0002352000000000 ] - [ 0.0005863600000000, -0.0001426500000000, 0.0002996600000000 ] - [ -0.0000561400000000, -0.0001841900000000, 0.0001968400000000 ] - [ 0.0007669500000000, 0.0000843500000000, -0.0005158800000000 ] - [ -0.0000572900000000, -0.0002373800000000, -0.0002512100000000 ] - [ 0.0001317500000000, 0.0000189800000000, -0.0000679700000000 ] - [ -0.0000581700000000, -0.0002122400000000, -0.0002353100000000 ] - [ 0.0026739400000000, 0.0027079600000000, 0.0005571100000000 ] - [ -0.0001377300000000, 0.0002848900000000, 0.0006241200000000 ] - [ 0.0000021000000000, 0.0000015800000000, 0.0003018600000000 ] - [ -0.0025684200000000, 0.0000579100000000, 0.0006876000000000 ] - [ -0.0001239300000000, -0.0002112300000000, -0.0002461100000000 ] - [ 0.0028162700000000, -0.0023735700000000, 0.0007951600000000 ] - [ 0.0002240900000000, -0.0005896400000000, -0.0001434300000000 ] - [ 0.0000503300000000, -0.0000600500000000, 0.0000567900000000 ] - [ 0.0002229800000000, -0.0000295700000000, 0.0002398200000000 ] - [ 0.0002033600000000, 0.0001627700000000, 0.0002119300000000 ] - [ -0.0000295200000000, 0.0001290200000000, 0.0000971300000000 ] - [ -0.0001333400000000, 0.0001945200000000, -0.0002497900000000 ] - [ 0.0005715300000000, -0.0000394500000000, 0.0002370200000000 ] - [ 0.0001791000000000, 0.0000572500000000, 0.0001167700000000 ] - [ 0.0005867600000000, -0.0000635100000000, 0.0004270600000000 ] - [ 0.0005648100000000, 0.0005118700000000, -0.0005092900000000 ] - [ 0.0000956200000000, -0.0000187500000000, 0.0003478600000000 ] - [ -0.0001427900000000, -0.0001744500000000, -0.0002553400000000 ] - [ -0.0000490900000000, 0.0001448200000000, -0.0001134400000000 ] - [ 0.0004403100000000, 0.0013358000000000, 0.0000400700000000 ] - [ 0.0000983500000000, -0.0001233900000000, 0.0001474400000000 ] - [ 0.0001178200000000, -0.0002040800000000, 0.0002181600000000 ] - [ 0.0000927500000000, 0.0000063300000000, 0.0000549400000000 ] - [ 0.0010377500000000, 0.0008174400000000, 0.0004031300000000 ] - [ -0.0003798700000000, 0.0006452900000000, 0.0000095600000000 ] - [ 0.0015660200000000, -0.0001895900000000, 0.0000457000000000 ] - [ 0.0010726500000000, 0.0000086900000000, -0.0035128600000000 ] - [ -0.0000966900000000, 0.0000489000000000, 0.0003322400000000 ] - [ -0.0001620700000000, 0.0003938900000000, -0.0002206800000000 ] - [ -0.0004510500000000, 0.0009063500000000, 0.0002442200000000 ] - [ -0.0002726100000000, -0.0005356200000000, 0.0004072700000000 ] - [ -0.0001538600000000, -0.0018414200000000, -0.0004138400000000 ] - [ 0.0002499200000000, 0.0000579700000000, -0.0002513000000000 ] - [ -0.0001711900000000, -0.0001469800000000, 0.0001107800000000 ] - [ -0.0000077800000000, -0.0000844900000000, -0.0000570800000000 ] - [ -0.0000831500000000, 0.0000910800000000, -0.0000804400000000 ] - [ 0.0000032300000000, -0.0001114500000000, 0.0000993100000000 ] - [ 0.0009761500000000, -0.0002378900000000, 0.0020274400000000 ] - [ -0.0001082300000000, 0.0001430200000000, -0.0001905500000000 ] - [ -0.0001097700000000, -0.0001101500000000, 0.0001359500000000 ] - [ -0.0001159600000000, 0.0000760800000000, 0.0001216200000000 ] - [ 0.0001521500000000, -0.0000083600000000, -0.0001309800000000 ] - [ -0.0045465500000000, -0.0001748600000000, 0.0008358700000000 ] - [ -0.0004382200000000, 0.0004947000000000, -0.0001666900000000 ] - [ -0.0000732500000000, -0.0000197700000000, 0.0000357400000000 ] - [ -0.0010568200000000, -0.0004992000000000, -0.0000260200000000 ] - [ -0.0000156700000000, 0.0000620900000000, 0.0000875300000000 ] - [ 0.0001246600000000, -0.0000334800000000, 0.0001320400000000 ] - [ -0.0000220600000000, 0.0000379700000000, 0.0000641600000000 ] - [ -0.0017806700000000, -0.0007388600000000, -0.0016147700000000 ] - [ -0.0000977000000000, -0.0001331000000000, 0.0003519600000000 ] - [ -0.0000489600000000, 0.0001441500000000, 0.0003776500000000 ] - [ 0.0001653000000000, -0.0000579500000000, -0.0001707700000000 ] - [ 0.0006930800000000, -0.0000324300000000, -0.0004678600000000 ] - [ -0.0033112800000000, 0.0025277100000000, -0.0005621100000000 ] - [ 0.0001770400000000, 0.0024030200000000, 0.0009506700000000 ] - [ 0.0002993800000000, 0.0000388800000000, 0.0007055800000000 ] - [ -0.0006643300000000, -0.0001479800000000, -0.0000268300000000 ] - [ 0.0000235300000000, -0.0000078300000000, -0.0003387900000000 ] - [ 0.0000759300000000, 0.0001530900000000, 0.0001404000000000 ] - [ -0.0000955600000000, -0.0000262100000000, -0.0002190400000000 ] - [ 0.0027697700000000, -0.0001818800000000, 0.0004339000000000 ] - [ 0.0006388400000000, 0.0001410200000000, -0.0001087000000000 ] - [ 0.0033199800000000, -0.0027382700000000, 0.0038656900000000 ] - [ -0.0015795100000000, -0.0018040900000000, -0.0026617500000000 ] - [ -0.0003573400000000, 0.0001025000000000, 0.0002028900000000 ] - [ 0.0002196400000000, -0.0002511500000000, 0.0001970800000000 ] - [ -0.0001942000000000, 0.0023877700000000, -0.0016818600000000 ] - [ -0.0009664900000000, -0.0016975700000000, 0.0009450700000000 ] - [ 0.0018389000000000, -0.0026731400000000, -0.0012464200000000 ] - [ 0.0002958700000000, -0.0002602500000000, 0.0000744500000000 ] - [ -0.0001058700000000, 0.0000627400000000, -0.0004085500000000 ] - [ 0.0003597200000000, 0.0012516300000000, -0.0005796000000000 ] - [ -0.1437317600000000, -0.1009108600000000, -0.0419420100000000 ] - [ 0.0000656900000000, 0.0000333800000000, 0.0004764700000000 ] - [ -0.0002009200000000, -0.0000988400000000, 0.0003159700000000 ] - [ -0.0000506500000000, 0.0000050700000000, -0.0001084100000000 ] - [ 0.0001850300000000, 0.0001746500000000, -0.0007639600000000 ] - [ -0.0001882000000000, -0.0000869700000000, 0.0002222300000000 ] - [ 0.0000364800000000, -0.0001022200000000, 0.0000753500000000 ] - [ 0.0001390000000000, 0.0001293900000000, 0.0001127200000000 ] - [ 0.0010599500000000, 0.0005287600000000, 0.0001495500000000 ] - [ -0.0000928700000000, -0.0002596700000000, 0.0007285700000000 ] - [ 0.0003191400000000, 0.0003374300000000, -0.0003655700000000 ] - [ 0.0001307600000000, 0.0002208400000000, -0.0001496600000000 ] - [ -0.0001169000000000, -0.0000098000000000, -0.0001351900000000 ] - [ 0.0001445800000000, 0.0000431000000000, -0.0003348700000000 ] - [ -0.0000314400000000, -0.0000146500000000, -0.0004731800000000 ] - [ -0.0000975900000000, 0.0013170700000000, 0.0015574500000000 ] - [ -0.0001932100000000, 0.0006966300000000, 0.0002063000000000 ] - [ -0.0013694700000000, -0.0004785800000000, 0.0003112800000000 ] - [ -0.0007827700000000, -0.0000116500000000, -0.0005723000000000 ] - [ -0.0000402800000000, 0.0000424200000000, -0.0004141700000000 ] - [ -0.0003324500000000, 0.0004386500000000, 0.0008939500000000 ] - [ 0.0004236200000000, 0.0001157200000000, -0.0002682200000000 ] - [ 0.0004490900000000, 0.0007204300000000, -0.0005346000000000 ] - [ -0.0001401600000000, 0.0000016800000000, 0.0000826200000000 ] - [ 0.0002923000000000, 0.0012058700000000, 0.0005049500000000 ] - [ -0.0007352900000000, 0.0005771100000000, 0.0002803300000000 ] - [ -0.0003329300000000, 0.0000908200000000, -0.0000302100000000 ] - [ -0.0000503100000000, -0.0001002700000000, -0.0003071000000000 ] - [ -0.0000344700000000, 0.0001591900000000, -0.0002663300000000 ] - [ 0.0000218700000000, -0.0011980500000000, 0.0010122500000000 ] - [ 0.0000369200000000, -0.0002200800000000, -0.0003295900000000 ] - [ -0.0000556700000000, -0.0003870400000000, -0.0004942300000000 ] - [ -0.0001041500000000, 0.0000641900000000, -0.0000795600000000 ] - [ -0.0015178000000000, 0.0017589600000000, 0.0021872700000000 ] - [ 0.0000301400000000, 0.0000061900000000, 0.0006482200000000 ] - [ -0.0000086600000000, 0.0000374700000000, -0.0000548400000000 ] - [ 0.0000163600000000, 0.0000643300000000, 0.0000708700000000 ] - [ 0.0013161900000000, 0.0003022000000000, 0.0003217600000000 ] - [ 0.0002999600000000, -0.0002174600000000, -0.0003139700000000 ] - [ 0.0001244700000000, -0.0003765100000000, 0.0002086000000000 ] - [ -0.0003869100000000, -0.0011760300000000, 0.0002339100000000 ] - [ -0.0002547100000000, 0.0000895700000000, -0.0003246800000000 ] - [ -0.0001076300000000, 0.0005005000000000, 0.0006276100000000 ] - [ 0.0001656900000000, -0.0000661300000000, 0.0002233200000000 ] - [ 0.0000464000000000, -0.0001293000000000, -0.0000548200000000 ] - [ 0.1588317500000000, 0.1403534900000000, 0.0572142100000000 ] - [ -0.0003262100000000, -0.0000452200000000, -0.0003541200000000 ] - [ -0.0001634600000000, -0.0011726600000000, -0.0006385500000000 ] - [ -0.0001026300000000, 0.0000989700000000, 0.0002093300000000 ] - [ -0.0017065300000000, 0.0006861200000000, -0.0016477900000000 ] - [ 0.0001904200000000, -0.0001456100000000, -0.0003900600000000 ] - [ -0.0004757300000000, -0.0001276100000000, 0.0001130900000000 ] - [ -0.0014096400000000, 0.0010825800000000, 0.0005552600000000 ] - [ -0.0001040800000000, 0.0001230500000000, -0.0002847500000000 ] - [ 0.0116727900000000, -0.0092377600000000, -0.0072169200000000 ] - [ 0.0001580300000000, -0.0000150500000000, -0.0003251000000000 ] - [ 0.0002539700000000, -0.0007460700000000, 0.0003064500000000 ] - [ -0.0001120100000000, -0.0000710800000000, -0.0002977400000000 ] - [ 0.0001367800000000, -0.0015003300000000, 0.0004584200000000 ] - [ -0.0296386000000000, -0.0384075000000000, -0.0068212700000000 ] - [ 0.0010201000000000, 0.0002659100000000, 0.0001929000000000 ] - [ -0.0006876400000000, -0.0000708700000000, -0.0004183100000000 ] - [ -0.0010132400000000, -0.0008765600000000, 0.0005881900000000 ] - [ -0.0002946400000000, -0.0001649400000000, -0.0002559100000000 ] - [ 0.0002437700000000, -0.0001044300000000, 0.0001980500000000 ] - [ -0.0005195200000000, -0.0015466000000000, 0.0004753400000000 ] - [ -0.0002459100000000, -0.0002436900000000, 0.0000425700000000 ] - [ 0.0000348700000000, 0.0013920400000000, -0.0010561100000000 ] - [ 0.0000811700000000, -0.0000564400000000, -0.0003800500000000 ] - [ 0.0002849800000000, 0.0002909100000000, -0.0004339700000000 ] - [ 0.0002244300000000, 0.0002743900000000, -0.0002191800000000 ] - [ -0.0000089600000000, 0.0000002100000000, 0.0007007900000000 ] - [ 0.0004739000000000, -0.0007166500000000, -0.0005975100000000 ] - [ 0.0004334100000000, 0.0007648900000000, -0.0006060600000000 ] - [ 0.0001329800000000, 0.0005069200000000, 0.0004989200000000 ] - [ 0.0001064900000000, 0.0002418300000000, -0.0003483000000000 ] - [ -0.0008664700000000, 0.0000049700000000, -0.0005406800000000 ] - [ 0.0000067600000000, -0.0001351400000000, -0.0002992200000000 ] - [ 0.0003873900000000, -0.0007384000000000, -0.0005325800000000 ] - [ -0.0007914300000000, -0.0007363700000000, 0.0001735800000000 ] - [ 0.0001441700000000, -0.0008645600000000, -0.0000207800000000 ] - [ 0.0164070200000000, 0.0118702900000000, 0.0006378600000000 ] - [ -0.0026594300000000, 0.0014202200000000, -0.0019381100000000 ] - [ -0.0001195300000000, -0.0000186200000000, -0.0001883800000000 ] - [ -0.0024753300000000, 0.0004242300000000, -0.0012619900000000 ] - [ -0.0000708200000000, 0.0001092500000000, 0.0003799500000000 ] - [ -0.0001302200000000, 0.0000085800000000, 0.0003148000000000 ] - [ -0.0000828600000000, 0.0010728000000000, -0.0005974200000000 ] - [ -0.0002535900000000, 0.0000712200000000, -0.0007085500000000 ] - [ 0.0000249900000000, -0.0001963900000000, 0.0003994000000000 ] - [ 0.0000145900000000, -0.0000697500000000, -0.0000742400000000 ] - [ 0.0002296000000000, -0.0001066700000000, 0.0002274900000000 ] - [ -0.0004163100000000, -0.0000304700000000, 0.0004830500000000 ] - [ -0.0016336200000000, -0.0048499000000000, -0.0017330700000000 ] - [ -0.0000052800000000, -0.0000824400000000, -0.0000789900000000 ] - [ 0.0001348000000000, 0.0002484900000000, 0.0000112000000000 ] - [ -0.0000145500000000, 0.0000351000000000, -0.0000725300000000 ] - [ 0.0002582600000000, 0.0004410100000000, 0.0002771600000000 ] - [ 0.0000201400000000, 0.0000503400000000, -0.0001107600000000 ] - [ -0.0000361400000000, 0.0000626100000000, -0.0006621400000000 ] - [ -0.0000359300000000, 0.0000128500000000, -0.0000708700000000 ] - [ 0.0000115900000000, 0.0000416900000000, 0.0000524200000000 ] - [ 0.0000266700000000, 0.0000362700000000, -0.0002953700000000 ] - [ -0.0024561600000000, 0.0001047900000000, 0.0011642400000000 ] - [ 0.0000041500000000, -0.0000724600000000, -0.0003225000000000 ] - [ -0.0002430700000000, -0.0029635400000000, 0.0023475300000000 ] - [ 0.0001708900000000, -0.0004327300000000, -0.0005766100000000 ] - [ -0.0019169700000000, 0.0001859300000000, -0.0009224000000000 ]- atom: 127 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0005547300000000, -0.0004439400000000, -0.0016407900000000 ] - [ -0.0000876800000000, -0.0000082500000000, 0.0000839600000000 ] - [ 0.0001554000000000, 0.0002508900000000, 0.0002123400000000 ] - [ 0.0000284500000000, -0.0002483000000000, 0.0002401800000000 ] - [ 0.0003549100000000, 0.0004872800000000, -0.0002151200000000 ] - [ 0.0000216500000000, 0.0000040100000000, -0.0003550400000000 ] - [ 0.0002017300000000, -0.0000726900000000, 0.0002348900000000 ] - [ 0.0001819000000000, -0.0010133500000000, 0.0001330700000000 ] - [ -0.0008489300000000, 0.0001559400000000, 0.0002921900000000 ] - [ -0.0002977800000000, 0.0004193900000000, -0.0000925500000000 ] - [ -0.0000932900000000, 0.0004287800000000, 0.0001340600000000 ] - [ -0.0015884200000000, 0.0017729000000000, -0.0010522800000000 ] - [ -0.0000877300000000, -0.0002560400000000, -0.0004160000000000 ] - [ 0.0014307600000000, 0.0009502900000000, 0.0007412400000000 ] - [ 0.0008243300000000, -0.0007702400000000, 0.0001668700000000 ] - [ -0.0000512600000000, -0.0000169200000000, 0.0001026800000000 ] - [ 0.0002332200000000, -0.0000113100000000, 0.0002573400000000 ] - [ 0.0000262300000000, 0.0000157600000000, 0.0000455900000000 ] - [ -0.0000192800000000, 0.0001972500000000, 0.0000005100000000 ] - [ -0.0001089000000000, 0.0002811000000000, -0.0004175800000000 ] - [ 0.0003198900000000, 0.0000194600000000, 0.0000698100000000 ] - [ 0.0001469800000000, 0.0000624700000000, -0.0000099200000000 ] - [ -0.0000830100000000, -0.0003187400000000, 0.0002444800000000 ] - [ -0.0004833800000000, 0.0000141100000000, 0.0005422300000000 ] - [ 0.0001504100000000, 0.0000274700000000, 0.0002533500000000 ] - [ -0.0001445600000000, -0.0001784100000000, -0.0003331800000000 ] - [ -0.0000711500000000, 0.0000637000000000, -0.0002102900000000 ] - [ -0.0009991300000000, -0.0011690300000000, 0.0004323200000000 ] - [ 0.0006449700000000, -0.0002998300000000, 0.0000469900000000 ] - [ 0.0008746100000000, -0.0011910700000000, 0.0004423300000000 ] - [ 0.0003283100000000, -0.0000281700000000, -0.0006550600000000 ] - [ -0.0004773800000000, -0.0000214300000000, -0.0006150800000000 ] - [ -0.0008066100000000, -0.0036830000000000, -0.0004203100000000 ] - [ 0.0003543200000000, -0.0000083500000000, 0.0002939100000000 ] - [ 0.0003334100000000, 0.0011953300000000, -0.0001893100000000 ] - [ -0.0002052200000000, -0.0001460100000000, -0.0000874600000000 ] - [ -0.0002691400000000, 0.0003745500000000, 0.0001063000000000 ] - [ -0.0004100000000000, -0.0009270000000000, -0.0007251500000000 ] - [ -0.0001231800000000, -0.0003158500000000, 0.0002738800000000 ] - [ 0.0034346800000000, -0.0013393500000000, -0.0003618400000000 ] - [ 0.0002073900000000, -0.0000033600000000, -0.0003518700000000 ] - [ 0.0002418200000000, -0.0000091400000000, -0.0000617400000000 ] - [ -0.0000553900000000, -0.0000650300000000, -0.0002190700000000 ] - [ 0.0000827200000000, -0.0000955500000000, -0.0002508700000000 ] - [ -0.0000451900000000, -0.0001896000000000, 0.0000038900000000 ] - [ -0.0010286000000000, 0.0004383800000000, -0.0002491700000000 ] - [ -0.0001191800000000, 0.0001678600000000, -0.0003347800000000 ] - [ -0.0001264900000000, -0.0000602100000000, -0.0000095400000000 ] - [ -0.0000911800000000, 0.0000531900000000, -0.0000058200000000 ] - [ 0.0001588300000000, -0.0000086300000000, -0.0002677100000000 ] - [ -0.0038966800000000, 0.0017906400000000, 0.0009649400000000 ] - [ -0.0003594600000000, -0.0005987000000000, 0.0008321500000000 ] - [ -0.0000616900000000, -0.0000014900000000, 0.0000395500000000 ] - [ 0.0003222400000000, -0.0005465100000000, 0.0033193700000000 ] - [ 0.0001307500000000, -0.0006480400000000, -0.0000878600000000 ] - [ 0.0001258300000000, -0.0000826200000000, -0.0000317200000000 ] - [ -0.0002903800000000, -0.0003851900000000, -0.0000718100000000 ] - [ -0.0004295600000000, 0.0016483300000000, 0.0021033000000000 ] - [ -0.0000434200000000, -0.0001242300000000, 0.0002077900000000 ] - [ -0.0000955200000000, 0.0001183600000000, 0.0002164500000000 ] - [ 0.0002286000000000, 0.0000079800000000, -0.0003391200000000 ] - [ -0.0001298000000000, -0.0002298400000000, -0.0001109900000000 ] - [ -0.0019990100000000, 0.0040950700000000, -0.0006446200000000 ] - [ -0.0020400400000000, -0.0014419700000000, -0.0003785200000000 ] - [ -0.0000841900000000, 0.0002268200000000, -0.0000964300000000 ] - [ -0.0002115700000000, 0.0006455100000000, 0.0001937600000000 ] - [ 0.0000041500000000, -0.0000800000000000, -0.0006600100000000 ] - [ 0.0002148100000000, 0.0001035800000000, -0.0001790500000000 ] - [ -0.0000251400000000, 0.0000966600000000, -0.0007792400000000 ] - [ -0.0009243100000000, -0.0009027800000000, 0.0007248400000000 ] - [ 0.0000019800000000, -0.0001836200000000, -0.0005036500000000 ] - [ 0.0009917200000000, 0.0023851300000000, 0.0021146500000000 ] - [ 0.0042405700000000, -0.0013217200000000, -0.0041142200000000 ] - [ -0.0004325000000000, 0.0000213500000000, -0.0003180400000000 ] - [ -0.0001116300000000, -0.0006124600000000, -0.0001586600000000 ] - [ -0.0022127600000000, -0.0012332800000000, 0.0013297400000000 ] - [ 0.0033072800000000, -0.0001999700000000, 0.0018579200000000 ] - [ 0.0010561100000000, 0.0017164300000000, -0.0003370800000000 ] - [ 0.0001876600000000, -0.0001414200000000, -0.0002381900000000 ] - [ -0.0000803600000000, 0.0001209000000000, 0.0006706500000000 ] - [ 0.0016080400000000, -0.0024342300000000, 0.0002499600000000 ] - [ 0.0185291400000000, 0.1836547000000000, 0.0447814500000000 ] - [ 0.0000176500000000, -0.0000158200000000, 0.0002073500000000 ] - [ 0.0001483000000000, -0.0003486700000000, -0.0004801900000000 ] - [ -0.0000106900000000, 0.0001567500000000, -0.0001650100000000 ] - [ -0.0000595200000000, -0.0002596800000000, 0.0005428700000000 ] - [ -0.0000369900000000, 0.0000566300000000, 0.0001462000000000 ] - [ 0.0000681700000000, -0.0000893900000000, 0.0001796000000000 ] - [ 0.0002007500000000, -0.0000537000000000, 0.0003291500000000 ] - [ -0.0016820900000000, 0.0005315800000000, -0.0018153200000000 ] - [ -0.0003012100000000, 0.0005598900000000, 0.0001890800000000 ] - [ 0.0000417300000000, -0.0001772200000000, -0.0002778000000000 ] - [ 0.0000615900000000, 0.0001643300000000, -0.0000379100000000 ] - [ -0.0000498300000000, -0.0000055400000000, 0.0001129600000000 ] - [ 0.0001706500000000, 0.0000864500000000, -0.0001624900000000 ] - [ -0.0000045500000000, 0.0000065900000000, -0.0003206600000000 ] - [ -0.0024970300000000, 0.0014076800000000, 0.0022435400000000 ] - [ -0.0011738000000000, 0.0008721100000000, 0.0000950700000000 ] - [ 0.0013578000000000, 0.0001561500000000, 0.0003138100000000 ] - [ -0.0008018500000000, -0.0000582100000000, -0.0003661900000000 ] - [ -0.0000277700000000, 0.0001527000000000, -0.0002531800000000 ] - [ -0.0002071200000000, -0.0004088900000000, 0.0002468100000000 ] - [ -0.0000180900000000, -0.0001484300000000, -0.0003377500000000 ] - [ 0.0004253500000000, 0.0007315400000000, -0.0004435700000000 ] - [ -0.0001454000000000, 0.0000068900000000, 0.0001822800000000 ] - [ -0.0010280400000000, -0.0004849400000000, 0.0008052900000000 ] - [ -0.0001396400000000, -0.0001830800000000, 0.0001624000000000 ] - [ -0.0002020000000000, 0.0001466200000000, 0.0001035200000000 ] - [ -0.0000850400000000, -0.0000803400000000, -0.0000781300000000 ] - [ -0.0000437400000000, 0.0000683000000000, -0.0001529700000000 ] - [ 0.0011116100000000, 0.0006767500000000, -0.0006511000000000 ] - [ 0.0001914300000000, -0.0002437500000000, -0.0000962200000000 ] - [ 0.0003460800000000, 0.0003234100000000, 0.0003083000000000 ] - [ -0.0000055000000000, 0.0003309500000000, 0.0001369100000000 ] - [ -0.0001014100000000, -0.0006341300000000, 0.0002310600000000 ] - [ 0.0000073400000000, -0.0000340700000000, 0.0009798500000000 ] - [ -0.0002203500000000, -0.0000598900000000, -0.0002964400000000 ] - [ 0.0000654300000000, 0.0001063100000000, 0.0001815800000000 ] - [ -0.0022094400000000, 0.0013012600000000, 0.0015565300000000 ] - [ 0.0003065100000000, -0.0007021600000000, -0.0003847900000000 ] - [ 0.0008746300000000, 0.0005909700000000, -0.0006851200000000 ] - [ 0.0010855800000000, 0.0013652700000000, -0.0005168800000000 ] - [ -0.0001396800000000, 0.0000623600000000, -0.0002014200000000 ] - [ -0.0011548100000000, -0.0010425500000000, 0.0009958400000000 ] - [ 0.0001863300000000, -0.0000567500000000, -0.0007598800000000 ] - [ 0.0000817000000000, -0.0001489700000000, 0.0000016800000000 ] - [ -0.0455623600000000, -0.2193466900000000, -0.0610204700000000 ] - [ -0.0000561500000000, 0.0001066100000000, -0.0002644000000000 ] - [ 0.0004113200000000, 0.0007909200000000, 0.0004269100000000 ] - [ -0.0002014100000000, 0.0002211700000000, 0.0004423800000000 ] - [ 0.0006548600000000, -0.0016393600000000, -0.0006092300000000 ] - [ 0.0001724500000000, -0.0001048800000000, -0.0001700900000000 ] - [ -0.0001459500000000, -0.0001566900000000, 0.0003577400000000 ] - [ -0.0003230600000000, 0.0005986200000000, 0.0003275300000000 ] - [ -0.0000694000000000, 0.0000954300000000, -0.0000557300000000 ] - [ 0.0139444400000000, -0.0052277000000000, 0.0086214200000000 ] - [ 0.0001635700000000, -0.0000053900000000, -0.0000357100000000 ] - [ -0.0006079200000000, 0.0021567700000000, -0.0002360600000000 ] - [ -0.0001475600000000, -0.0000471000000000, -0.0002345400000000 ] - [ 0.0005778200000000, -0.0002202800000000, -0.0005008500000000 ] - [ -0.0009667400000000, -0.0196889200000000, -0.0001789900000000 ] - [ 0.0002838100000000, -0.0010244900000000, -0.0002300100000000 ] - [ 0.0001096500000000, 0.0002069500000000, -0.0005969900000000 ] - [ -0.0000085100000000, 0.0005409900000000, 0.0002348700000000 ] - [ 0.0001989400000000, 0.0000291100000000, 0.0000508000000000 ] - [ 0.0000570700000000, 0.0001737300000000, 0.0004406600000000 ] - [ 0.0008294100000000, 0.0007407000000000, -0.0001042200000000 ] - [ -0.0001322300000000, 0.0000552800000000, 0.0000192200000000 ] - [ -0.0008383400000000, -0.0006418500000000, -0.0008416400000000 ] - [ -0.0001512300000000, 0.0001427200000000, 0.0002041900000000 ] - [ -0.0005301100000000, -0.0000221700000000, -0.0011032800000000 ] - [ 0.0000380000000000, 0.0002374600000000, -0.0000016500000000 ] - [ -0.0000024000000000, 0.0000239600000000, 0.0009319100000000 ] - [ 0.0004437800000000, -0.0007556500000000, -0.0003910700000000 ] - [ 0.0003808500000000, 0.0006714900000000, -0.0003572300000000 ] - [ -0.0013793000000000, 0.0015301100000000, 0.0009537000000000 ] - [ 0.0001555800000000, 0.0005047100000000, -0.0001994900000000 ] - [ -0.0008020000000000, 0.0000453600000000, -0.0004307200000000 ] - [ -0.0000663300000000, -0.0000442100000000, -0.0001739600000000 ] - [ 0.0003588900000000, -0.0006753500000000, -0.0004149100000000 ] - [ -0.0000972000000000, 0.0007610600000000, 0.0001884500000000 ] - [ 0.0015890500000000, 0.0006420300000000, 0.0010522000000000 ] - [ 0.0175674000000000, 0.0469755200000000, 0.0073587700000000 ] - [ -0.0011803100000000, -0.0006448100000000, -0.0010282600000000 ] - [ 0.0000119900000000, 0.0000332200000000, 0.0000773000000000 ] - [ -0.0008964300000000, -0.0003646300000000, -0.0007327100000000 ] - [ 0.0000585900000000, 0.0003227100000000, 0.0001649000000000 ] - [ -0.0009946300000000, 0.0007454800000000, 0.0001599400000000 ] - [ -0.0009256700000000, -0.0006518500000000, -0.0002354900000000 ] - [ 0.0000307800000000, -0.0000385000000000, -0.0001200400000000 ] - [ 0.0000507400000000, -0.0004270100000000, 0.0001574500000000 ] - [ 0.0000438700000000, -0.0000255300000000, 0.0000272200000000 ] - [ -0.0011733800000000, 0.0014383400000000, 0.0011305500000000 ] - [ -0.0001123600000000, -0.0002288900000000, 0.0001037300000000 ] - [ 0.0034364700000000, 0.0032032000000000, 0.0019692000000000 ] - [ 0.0000560700000000, 0.0000237500000000, 0.0001182900000000 ] - [ -0.0002331900000000, 0.0003512800000000, -0.0003388400000000 ] - [ -0.0000485100000000, -0.0000133800000000, -0.0000162600000000 ] - [ -0.0013555300000000, 0.0024747200000000, -0.0008931800000000 ] - [ 0.0000121100000000, 0.0000221600000000, 0.0000224500000000 ] - [ 0.0000013000000000, -0.0000361100000000, -0.0003939700000000 ] - [ -0.0000590800000000, -0.0000076100000000, 0.0000613100000000 ] - [ -0.0000090600000000, -0.0000101300000000, 0.0001100600000000 ] - [ -0.0000741200000000, 0.0000135100000000, -0.0000554100000000 ] - [ 0.0000075800000000, -0.0004907700000000, 0.0000243200000000 ] - [ 0.0000657500000000, 0.0000317200000000, -0.0003969300000000 ] - [ 0.0024029000000000, 0.0020397400000000, -0.0022734500000000 ] - [ 0.0004086600000000, 0.0001415600000000, 0.0007865500000000 ] - [ 0.0001332700000000, -0.0001221300000000, -0.0000210600000000 ]- atom: 127 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ -0.0005131300000000, 0.0008782100000000, 0.0020675200000000 ] - [ -0.0000271100000000, 0.0002392100000000, 0.0002573100000000 ] - [ -0.0002047200000000, -0.0001541800000000, 0.0000599500000000 ] - [ -0.0000123200000000, -0.0000284800000000, 0.0000150500000000 ] - [ -0.0006035200000000, -0.0000484500000000, -0.0002257000000000 ] - [ -0.0002419200000000, -0.0003912100000000, 0.0003490800000000 ] - [ 0.0002502900000000, 0.0000794700000000, -0.0002450000000000 ] - [ -0.0004430200000000, 0.0005645900000000, -0.0005670500000000 ] - [ 0.0007375500000000, 0.0001140000000000, -0.0001843900000000 ] - [ 0.0000624600000000, -0.0000320600000000, 0.0000807700000000 ] - [ 0.0001077800000000, -0.0001403000000000, 0.0001166500000000 ] - [ 0.0014431500000000, -0.0022161400000000, 0.0008166300000000 ] - [ -0.0001109200000000, -0.0001505800000000, -0.0001731400000000 ] - [ -0.0014041900000000, -0.0011353500000000, -0.0002442200000000 ] - [ -0.0003921900000000, 0.0006665700000000, -0.0004192600000000 ] - [ -0.0000692400000000, -0.0001924600000000, 0.0002423500000000 ] - [ 0.0000233600000000, 0.0000259800000000, 0.0000833800000000 ] - [ 0.0002210600000000, 0.0001419200000000, 0.0002045400000000 ] - [ -0.0000107000000000, 0.0000968800000000, 0.0001175900000000 ] - [ -0.0000854300000000, 0.0001474000000000, -0.0001725300000000 ] - [ 0.0001348500000000, -0.0000288600000000, -0.0000821000000000 ] - [ 0.0001229100000000, 0.0000588700000000, 0.0001285100000000 ] - [ 0.0001404900000000, -0.0001101100000000, 0.0001807200000000 ] - [ 0.0005963500000000, -0.0000080200000000, -0.0002729000000000 ] - [ 0.0001285400000000, -0.0000203200000000, 0.0003350100000000 ] - [ -0.0001076900000000, -0.0001961800000000, -0.0002574400000000 ] - [ -0.0000400100000000, 0.0001462600000000, -0.0001271800000000 ] - [ 0.0008515200000000, 0.0011200400000000, 0.0000634200000000 ] - [ -0.0003097000000000, 0.0005570500000000, 0.0003768200000000 ] - [ -0.0008603600000000, 0.0013519900000000, 0.0000486300000000 ] - [ 0.0004211200000000, 0.0000152400000000, 0.0007005400000000 ] - [ 0.0009850300000000, 0.0000271800000000, 0.0001785200000000 ] - [ 0.0009298900000000, 0.0037720600000000, 0.0009061800000000 ] - [ -0.0002184500000000, -0.0000990000000000, 0.0001982200000000 ] - [ 0.0001079800000000, -0.0010978000000000, -0.0000856300000000 ] - [ -0.0000419100000000, 0.0000232400000000, 0.0003452300000000 ] - [ -0.0001146500000000, 0.0002686900000000, -0.0000653000000000 ] - [ 0.0002853700000000, 0.0013607300000000, 0.0004746200000000 ] - [ -0.0002543800000000, -0.0003365700000000, -0.0002358300000000 ] - [ -0.0035561400000000, 0.0011129200000000, 0.0004694700000000 ] - [ 0.0002619500000000, 0.0000495000000000, -0.0002394000000000 ] - [ -0.0000085600000000, -0.0001737900000000, 0.0003152200000000 ] - [ -0.0000573400000000, -0.0001305500000000, -0.0001260600000000 ] - [ -0.0003045800000000, 0.0004912200000000, 0.0002423700000000 ] - [ 0.0000135800000000, -0.0001130300000000, 0.0001040700000000 ] - [ 0.0013813700000000, -0.0006950500000000, 0.0006877800000000 ] - [ -0.0001682300000000, 0.0001977200000000, -0.0002542300000000 ] - [ -0.0001195100000000, -0.0001193500000000, 0.0001179600000000 ] - [ -0.0001431900000000, 0.0001222800000000, 0.0001215500000000 ] - [ 0.0000778100000000, 0.0000170000000000, -0.0000689100000000 ] - [ 0.0037660300000000, -0.0017686200000000, -0.0004830500000000 ] - [ -0.0000231800000000, 0.0007697700000000, -0.0004130400000000 ] - [ -0.0002144800000000, 0.0001148000000000, 0.0002129700000000 ] - [ -0.0006280600000000, 0.0008730300000000, -0.0035595700000000 ] - [ -0.0001953200000000, 0.0005406200000000, 0.0003498900000000 ] - [ 0.0001430100000000, -0.0000323100000000, 0.0001475700000000 ] - [ 0.0000676500000000, 0.0000024900000000, 0.0000653100000000 ] - [ 0.0000310400000000, -0.0018382500000000, -0.0016800400000000 ] - [ -0.0000961600000000, -0.0001172300000000, 0.0003794100000000 ] - [ -0.0000367300000000, 0.0001270200000000, 0.0003723800000000 ] - [ 0.0002310600000000, -0.0000744400000000, -0.0002508400000000 ] - [ -0.0001764400000000, -0.0001052300000000, -0.0001371300000000 ] - [ 0.0023848000000000, -0.0046341200000000, 0.0008714200000000 ] - [ 0.0020878700000000, 0.0013719800000000, 0.0009700600000000 ] - [ 0.0000171300000000, -0.0001150400000000, 0.0003384200000000 ] - [ 0.0002188800000000, -0.0006541300000000, -0.0000412000000000 ] - [ -0.0000033500000000, 0.0000799200000000, -0.0003270800000000 ] - [ 0.0000656000000000, 0.0003852100000000, 0.0000793900000000 ] - [ 0.0000241900000000, -0.0000968800000000, -0.0002066500000000 ] - [ 0.0009234000000000, 0.0008940400000000, 0.0001714600000000 ] - [ -0.0000032500000000, 0.0001809400000000, -0.0001695600000000 ] - [ -0.0007559100000000, -0.0019679500000000, -0.0025879100000000 ] - [ -0.0047320000000000, 0.0013181300000000, 0.0036822300000000 ] - [ -0.0001335700000000, -0.0000220100000000, 0.0002186600000000 ] - [ 0.0001053800000000, 0.0006199900000000, 0.0003265200000000 ] - [ 0.0024305500000000, 0.0008433600000000, -0.0018032200000000 ] - [ -0.0034361300000000, 0.0001913500000000, -0.0012844000000000 ] - [ -0.0010061200000000, -0.0016142100000000, 0.0009340900000000 ] - [ 0.0000957900000000, -0.0003496500000000, 0.0001377900000000 ] - [ 0.0002128800000000, -0.0001249700000000, -0.0004357300000000 ] - [ -0.0015888900000000, 0.0024458700000000, -0.0008488400000000 ] - [ -0.0154316800000000, -0.1805784800000000, -0.0436347500000000 ] - [ -0.0000168300000000, 0.0000170500000000, 0.0004954700000000 ] - [ -0.0002179000000000, 0.0002344400000000, 0.0007198500000000 ] - [ 0.0000086200000000, -0.0001618800000000, -0.0000740700000000 ] - [ 0.0000573100000000, 0.0002594200000000, -0.0007925800000000 ] - [ 0.0000398500000000, -0.0000522400000000, 0.0001828300000000 ] - [ 0.0000463600000000, -0.0001053500000000, 0.0000741300000000 ] - [ 0.0002245400000000, 0.0002314400000000, 0.0002213100000000 ] - [ 0.0023210000000000, -0.0005396100000000, 0.0022556900000000 ] - [ 0.0002991800000000, -0.0005656800000000, 0.0008762600000000 ] - [ 0.0001551800000000, 0.0004511500000000, -0.0003688200000000 ] - [ 0.0000966300000000, 0.0001088700000000, -0.0000590200000000 ] - [ -0.0002575300000000, 0.0000135400000000, -0.0002091800000000 ] - [ 0.0000981800000000, 0.0000671100000000, -0.0003390200000000 ] - [ 0.0000030600000000, -0.0000093300000000, -0.0004899000000000 ] - [ 0.0026056100000000, -0.0014247500000000, -0.0018194800000000 ] - [ 0.0006776700000000, -0.0004824500000000, 0.0002807300000000 ] - [ -0.0002542300000000, -0.0001487900000000, 0.0004878900000000 ] - [ -0.0008575900000000, 0.0000057100000000, -0.0006004200000000 ] - [ 0.0002303400000000, -0.0004320500000000, -0.0003985100000000 ] - [ 0.0001155900000000, 0.0002477300000000, -0.0004444600000000 ] - [ -0.0003210500000000, 0.0001853900000000, -0.0003098500000000 ] - [ 0.0004427300000000, 0.0006750900000000, -0.0005229900000000 ] - [ -0.0000801900000000, -0.0000051200000000, 0.0000713000000000 ] - [ 0.0013069200000000, 0.0009430400000000, -0.0010580500000000 ] - [ 0.0007033700000000, 0.0004228900000000, 0.0002109600000000 ] - [ 0.0000799000000000, 0.0000665500000000, -0.0000995300000000 ] - [ -0.0000476100000000, -0.0001501300000000, -0.0002898900000000 ] - [ 0.0000423100000000, 0.0002417000000000, -0.0003483500000000 ] - [ -0.0011499700000000, -0.0006115900000000, 0.0010975100000000 ] - [ 0.0000353800000000, -0.0001426800000000, -0.0002380100000000 ] - [ -0.0004391000000000, -0.0001793800000000, -0.0005049600000000 ] - [ 0.0000067400000000, -0.0003303500000000, -0.0001720300000000 ] - [ 0.0000348900000000, 0.0012408100000000, 0.0001382800000000 ] - [ -0.0000100800000000, 0.0000301700000000, 0.0006410500000000 ] - [ -0.0002279300000000, 0.0000646600000000, -0.0000358200000000 ] - [ 0.0000470400000000, 0.0000885300000000, 0.0000710400000000 ] - [ 0.0020070900000000, -0.0013177100000000, -0.0019070600000000 ] - [ -0.0001727000000000, 0.0004020400000000, -0.0002605900000000 ] - [ -0.0013877300000000, -0.0005837000000000, 0.0004385800000000 ] - [ -0.0008362000000000, -0.0009135200000000, 0.0002717900000000 ] - [ -0.0001221800000000, 0.0001019100000000, -0.0003019900000000 ] - [ 0.0008438700000000, 0.0004946900000000, -0.0005711600000000 ] - [ -0.0000566400000000, 0.0000640800000000, 0.0002495500000000 ] - [ 0.0000785900000000, -0.0001135100000000, -0.0000975000000000 ] - [ 0.0420387700000000, 0.2158697100000000, 0.0594865500000000 ] - [ -0.0002756000000000, -0.0001422800000000, -0.0003836700000000 ] - [ -0.0007284600000000, -0.0002646700000000, -0.0000100600000000 ] - [ -0.0001675500000000, 0.0000549200000000, 0.0001099900000000 ] - [ -0.0003962700000000, 0.0011628400000000, 0.0003649100000000 ] - [ 0.0001005100000000, -0.0000393000000000, -0.0003334200000000 ] - [ -0.0002067400000000, -0.0001147300000000, 0.0001905200000000 ] - [ -0.0002258100000000, 0.0003661300000000, 0.0004741500000000 ] - [ -0.0000608200000000, 0.0001445100000000, -0.0003082800000000 ] - [ -0.0138823600000000, 0.0050197400000000, -0.0075553100000000 ] - [ 0.0001092900000000, 0.0000126200000000, -0.0003289600000000 ] - [ 0.0005218500000000, -0.0020162600000000, 0.0005512800000000 ] - [ -0.0001152400000000, -0.0001094100000000, -0.0002662300000000 ] - [ -0.0004759400000000, 0.0000219700000000, 0.0001693300000000 ] - [ 0.0009703400000000, 0.0194952600000000, 0.0004269700000000 ] - [ -0.0002822500000000, 0.0010275000000000, 0.0002099700000000 ] - [ -0.0001070000000000, -0.0002013100000000, -0.0002696000000000 ] - [ -0.0005383300000000, -0.0014882000000000, 0.0005662300000000 ] - [ 0.0000464500000000, -0.0000289100000000, -0.0000467300000000 ] - [ 0.0003690100000000, -0.0003575200000000, 0.0001116700000000 ] - [ -0.0009058700000000, -0.0013684000000000, 0.0004796900000000 ] - [ 0.0000127700000000, -0.0002636900000000, -0.0000165100000000 ] - [ 0.0009373800000000, 0.0008117500000000, 0.0005098800000000 ] - [ 0.0000926400000000, -0.0002483900000000, -0.0007166000000000 ] - [ 0.0007097900000000, 0.0000171300000000, 0.0009163700000000 ] - [ 0.0001873300000000, 0.0001508600000000, -0.0003329300000000 ] - [ 0.0000004600000000, -0.0000287200000000, 0.0006891300000000 ] - [ 0.0004208000000000, -0.0006581500000000, -0.0005759500000000 ] - [ 0.0004039700000000, 0.0007839600000000, -0.0006102900000000 ] - [ 0.0016536200000000, -0.0019847400000000, -0.0012090100000000 ] - [ -0.0000167400000000, -0.0001979000000000, -0.0004517000000000 ] - [ -0.0008549500000000, -0.0000041900000000, -0.0005355600000000 ] - [ 0.0000635700000000, -0.0002629500000000, -0.0003275600000000 ] - [ 0.0004254800000000, -0.0007886800000000, -0.0005508600000000 ] - [ 0.0000046400000000, -0.0009113600000000, 0.0001279300000000 ] - [ -0.0010001700000000, -0.0008886700000000, -0.0006769500000000 ] - [ -0.0173395100000000, -0.0455071100000000, -0.0070000600000000 ] - [ 0.0011356900000000, 0.0005647200000000, 0.0014776900000000 ] - [ -0.0000146900000000, -0.0000380300000000, -0.0001557700000000 ] - [ 0.0003541300000000, 0.0003469900000000, 0.0004878600000000 ] - [ -0.0001189400000000, 0.0001335600000000, 0.0003870700000000 ] - [ 0.0011474900000000, -0.0007549400000000, 0.0001606100000000 ] - [ 0.0004328600000000, 0.0002879100000000, 0.0006103000000000 ] - [ -0.0000916400000000, 0.0001551200000000, -0.0003954000000000 ] - [ -0.0001103900000000, -0.0000112900000000, 0.0003924900000000 ] - [ -0.0000011100000000, -0.0000614600000000, -0.0000760900000000 ] - [ 0.0010548200000000, -0.0016375700000000, -0.0009248500000000 ] - [ 0.0001088600000000, 0.0002116000000000, 0.0000555600000000 ] - [ -0.0039162100000000, -0.0032233000000000, -0.0016470800000000 ] - [ -0.0000292000000000, -0.0000725700000000, -0.0000848200000000 ] - [ 0.0002310300000000, -0.0003576000000000, 0.0004919800000000 ] - [ -0.0000065500000000, 0.0000131400000000, 0.0000516000000000 ] - [ 0.0015814700000000, -0.0020646600000000, 0.0012247500000000 ] - [ 0.0000307100000000, 0.0000519700000000, -0.0000771800000000 ] - [ 0.0000160800000000, 0.0000660400000000, -0.0003100100000000 ] - [ -0.0000372600000000, 0.0000018900000000, -0.0001101700000000 ] - [ 0.0000355500000000, 0.0000556100000000, -0.0000783800000000 ] - [ 0.0000593300000000, -0.0000055400000000, -0.0006550200000000 ] - [ 0.0002121500000000, 0.0001023400000000, 0.0003199200000000 ] - [ -0.0000522800000000, -0.0000414800000000, -0.0003117200000000 ] - [ -0.0021825600000000, -0.0020476200000000, 0.0024855700000000 ] - [ -0.0004242800000000, -0.0001522600000000, -0.0006323000000000 ] - [ -0.0002619400000000, 0.0003325000000000, 0.0002100600000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017903600000000, -0.0022091200000000, -0.0006531000000000 ] - [ -0.0000092700000000, -0.0000040400000000, -0.0000888700000000 ] - [ -0.0002028200000000, 0.0001531600000000, 0.0004228600000000 ] - [ 0.0000230600000000, -0.0000328100000000, -0.0001497300000000 ] - [ -0.0000670600000000, 0.0001787300000000, -0.0000115500000000 ] - [ 0.0001932600000000, -0.0001928200000000, -0.0003535300000000 ] - [ 0.0002333200000000, 0.0002470700000000, -0.0001489000000000 ] - [ 0.0000702300000000, -0.0002691600000000, -0.0000020500000000 ] - [ -0.0005074500000000, 0.0000587600000000, 0.0008806000000000 ] - [ -0.0004552400000000, 0.0000664300000000, -0.0006725200000000 ] - [ -0.0002312900000000, 0.0005145300000000, -0.0004553900000000 ] - [ 0.0002113400000000, 0.0002175300000000, 0.0054907600000000 ] - [ -0.0001044100000000, -0.0002710400000000, -0.0006595800000000 ] - [ -0.0000813400000000, 0.0002050100000000, 0.0014766300000000 ] - [ 0.0001839800000000, -0.0000374900000000, 0.0001336500000000 ] - [ 0.0000345100000000, -0.0000188200000000, -0.0000835500000000 ] - [ 0.0000071500000000, 0.0000344800000000, -0.0000810100000000 ] - [ 0.0000190000000000, 0.0000594600000000, -0.0001556800000000 ] - [ 0.0000005900000000, 0.0001887500000000, -0.0003692600000000 ] - [ -0.0000529400000000, 0.0001826400000000, -0.0008584100000000 ] - [ 0.0001178200000000, 0.0000178800000000, -0.0002949300000000 ] - [ 0.0001592000000000, 0.0000520900000000, -0.0003169900000000 ] - [ -0.0001883900000000, -0.0003292300000000, 0.0004285600000000 ] - [ 0.0003970900000000, 0.0001317500000000, 0.0003680400000000 ] - [ 0.0001647500000000, 0.0000493000000000, -0.0001292400000000 ] - [ -0.0000835400000000, -0.0001220200000000, -0.0008166000000000 ] - [ -0.0000598500000000, 0.0000888200000000, -0.0004998700000000 ] - [ -0.0001959300000000, -0.0003141200000000, 0.0013305000000000 ] - [ 0.0003707000000000, 0.0000370300000000, 0.0004428000000000 ] - [ 0.0001255500000000, -0.0001333700000000, 0.0010237200000000 ] - [ 0.0004801900000000, -0.0003387600000000, -0.0006536200000000 ] - [ -0.0004952800000000, -0.0004818100000000, -0.0002762200000000 ] - [ 0.0002375900000000, -0.0004115600000000, 0.0010811600000000 ] - [ -0.0001692300000000, -0.0000125800000000, 0.0010213600000000 ] - [ 0.0014753600000000, 0.0008907000000000, 0.0001108700000000 ] - [ -0.0003336800000000, -0.0004353900000000, -0.0004702600000000 ] - [ 0.0000035700000000, 0.0004574000000000, -0.0001115000000000 ] - [ -0.0001339500000000, -0.0007069100000000, -0.0000954100000000 ] - [ -0.0003654000000000, -0.0000771400000000, -0.0003440700000000 ] - [ 0.0001918900000000, -0.0000147300000000, 0.0012717300000000 ] - [ 0.0002670200000000, 0.0000081400000000, -0.0006228800000000 ] - [ 0.0005559400000000, -0.0001022600000000, -0.0004541400000000 ] - [ -0.0000915700000000, -0.0000979000000000, -0.0005373700000000 ] - [ -0.0000310100000000, 0.0001173000000000, -0.0003012900000000 ] - [ -0.0000422500000000, -0.0001777400000000, -0.0003350100000000 ] - [ -0.0028129100000000, 0.0001346000000000, -0.0006540100000000 ] - [ -0.0001820900000000, 0.0002334900000000, -0.0006438200000000 ] - [ -0.0001634600000000, -0.0000907000000000, -0.0003549400000000 ] - [ -0.0001204800000000, 0.0001132200000000, -0.0003179100000000 ] - [ 0.0001363700000000, -0.0000065600000000, -0.0005216300000000 ] - [ -0.0019832900000000, -0.0004816000000000, 0.0038373100000000 ] - [ -0.0002679200000000, 0.0004475100000000, 0.0003720700000000 ] - [ -0.0000639600000000, -0.0000154200000000, -0.0001461200000000 ] - [ -0.0000738200000000, 0.0016378900000000, 0.0001351800000000 ] - [ -0.0000007000000000, -0.0002800400000000, 0.0004067300000000 ] - [ 0.0001606800000000, -0.0000922500000000, -0.0003468200000000 ] - [ -0.0002424700000000, -0.0003848000000000, -0.0002501000000000 ] - [ 0.0011361000000000, 0.0022812700000000, -0.0025881200000000 ] - [ -0.0000403800000000, -0.0001607100000000, -0.0001113900000000 ] - [ -0.0001176700000000, 0.0001208900000000, -0.0001060000000000 ] - [ 0.0001795000000000, -0.0000024500000000, -0.0008568100000000 ] - [ -0.0002964600000000, -0.0000445500000000, 0.0001356300000000 ] - [ 0.0006159900000000, -0.0019638500000000, 0.0035360100000000 ] - [ -0.0009049100000000, -0.0015846000000000, -0.0001080200000000 ] - [ -0.0004092300000000, 0.0000690000000000, -0.0007622900000000 ] - [ 0.0001005300000000, 0.0001699600000000, -0.0046024300000000 ] - [ -0.0000053900000000, -0.0000036000000000, -0.0014811500000000 ] - [ 0.0001268400000000, 0.0003443900000000, -0.0011430700000000 ] - [ 0.0000021100000000, 0.0000047900000000, -0.0020805500000000 ] - [ -0.0002995000000000, -0.0001652300000000, 0.0020103700000000 ] - [ -0.0002454900000000, -0.0001536700000000, -0.0011030800000000 ] - [ -0.0027977200000000, 0.0027090500000000, 0.0008071300000000 ] - [ 0.0037398500000000, -0.0011751400000000, 0.0008491600000000 ] - [ -0.0003906100000000, -0.0001650900000000, -0.0012895300000000 ] - [ -0.0001778900000000, -0.0001696300000000, -0.0002699500000000 ] - [ -0.0000917900000000, -0.0005194100000000, 0.0012937100000000 ] - [ -0.0015923100000000, 0.0013154400000000, 0.0000170600000000 ] - [ 0.0019313200000000, -0.0006566800000000, 0.0000211800000000 ] - [ 0.0002387400000000, -0.0001925200000000, -0.0011392300000000 ] - [ 0.0002575600000000, 0.0003186200000000, -0.0009403100000000 ] - [ 0.0000374400000000, -0.0004345000000000, 0.0015348000000000 ] - [ 0.0429944200000000, 0.0765972900000000, 0.1180502400000000 ] - [ -0.0000014700000000, -0.0000087800000000, -0.0006304500000000 ] - [ 0.0001558600000000, -0.0003814100000000, -0.0007634000000000 ] - [ 0.0000107400000000, -0.0000163000000000, -0.0000786300000000 ] - [ -0.0000943700000000, -0.0001672400000000, 0.0016645800000000 ] - [ -0.0000197200000000, 0.0000070400000000, 0.0001625200000000 ] - [ 0.0001131600000000, -0.0001832600000000, 0.0004780900000000 ] - [ 0.0003547200000000, 0.0000102700000000, 0.0005946400000000 ] - [ 0.0012865200000000, -0.0010878100000000, 0.0004865800000000 ] - [ -0.0000043600000000, 0.0000649600000000, -0.0006298100000000 ] - [ -0.0004602500000000, -0.0009109300000000, 0.0011229500000000 ] - [ 0.0000273800000000, -0.0000635900000000, 0.0003692500000000 ] - [ 0.0000518200000000, 0.0000765400000000, 0.0004482600000000 ] - [ 0.0001233400000000, 0.0000676700000000, 0.0001247400000000 ] - [ -0.0000035400000000, 0.0000007700000000, 0.0002050000000000 ] - [ -0.0010102400000000, 0.0005185200000000, -0.0009089500000000 ] - [ 0.0003011200000000, -0.0005473300000000, -0.0002320200000000 ] - [ 0.0006093000000000, 0.0000829300000000, -0.0003135700000000 ] - [ -0.0006917900000000, -0.0000256600000000, 0.0000868300000000 ] - [ 0.0001320600000000, -0.0000978300000000, -0.0001243600000000 ] - [ -0.0003986300000000, 0.0000454200000000, 0.0001498700000000 ] - [ 0.0003834700000000, -0.0000654600000000, 0.0008378700000000 ] - [ 0.0003766600000000, 0.0006007400000000, -0.0001370500000000 ] - [ -0.0002198300000000, 0.0000007800000000, 0.0004781800000000 ] - [ -0.0007592600000000, 0.0002478300000000, -0.0002419100000000 ] - [ -0.0006315600000000, 0.0002412300000000, -0.0002297900000000 ] - [ -0.0000842500000000, 0.0002240800000000, 0.0002409400000000 ] - [ -0.0000689800000000, -0.0001097900000000, 0.0005443100000000 ] - [ -0.0001306600000000, 0.0000180900000000, 0.0001543400000000 ] - [ 0.0000827700000000, 0.0001899700000000, -0.0008073800000000 ] - [ 0.0002560400000000, -0.0001235000000000, 0.0001561000000000 ] - [ 0.0001149100000000, 0.0003478100000000, 0.0001493300000000 ] - [ 0.0000669900000000, 0.0001034400000000, 0.0001329000000000 ] - [ -0.0014843500000000, 0.0006312500000000, 0.0004623800000000 ] - [ -0.0000063100000000, -0.0000106500000000, 0.0018564200000000 ] - [ -0.0001986300000000, -0.0001598200000000, 0.0002015400000000 ] - [ 0.0001132300000000, 0.0001947600000000, 0.0004822400000000 ] - [ -0.0025159300000000, 0.0015092100000000, 0.0001692100000000 ] - [ -0.0003181300000000, 0.0002767600000000, 0.0008422600000000 ] - [ -0.0003526700000000, -0.0000425000000000, -0.0005399000000000 ] - [ 0.0004298500000000, 0.0007389300000000, -0.0004344900000000 ] - [ -0.0000520600000000, 0.0000647600000000, 0.0000895600000000 ] - [ -0.0010855500000000, -0.0000710800000000, 0.0001491000000000 ] - [ -0.0000769800000000, -0.0002395800000000, 0.0004172900000000 ] - [ -0.0000486200000000, -0.0000331600000000, 0.0003446100000000 ] - [ -0.0583460500000000, -0.1038295200000000, -0.1223327900000000 ] - [ -0.0000441300000000, 0.0000358900000000, -0.0001516700000000 ] - [ 0.0004752100000000, 0.0011763500000000, 0.0002473900000000 ] - [ -0.0001972100000000, 0.0002990600000000, 0.0005962100000000 ] - [ 0.0024237900000000, -0.0014180000000000, 0.0000731400000000 ] - [ 0.0001039200000000, 0.0001120200000000, 0.0002162100000000 ] - [ 0.0000868500000000, -0.0001404100000000, 0.0006211800000000 ] - [ -0.0001151700000000, 0.0003216200000000, -0.0001881900000000 ] - [ -0.0000597900000000, 0.0001011900000000, 0.0005456900000000 ] - [ 0.0218239700000000, 0.0387924400000000, 0.0254392200000000 ] - [ 0.0001365300000000, 0.0000190100000000, 0.0006187300000000 ] - [ -0.0001910900000000, 0.0006143600000000, -0.0006357400000000 ] - [ 0.0000003500000000, -0.0001297900000000, 0.0001317600000000 ] - [ 0.0000633000000000, -0.0001738900000000, -0.0005944000000000 ] - [ -0.0066435100000000, -0.0045295400000000, -0.0167965900000000 ] - [ -0.0006126400000000, -0.0010829800000000, 0.0038786100000000 ] - [ 0.0000904100000000, 0.0001016900000000, -0.0014683900000000 ] - [ -0.0001361600000000, -0.0001490100000000, -0.0001975100000000 ] - [ 0.0004294500000000, 0.0001150800000000, 0.0002922000000000 ] - [ 0.0000842100000000, 0.0001381100000000, 0.0006232300000000 ] - [ 0.0003390100000000, 0.0003313300000000, -0.0001359800000000 ] - [ -0.0000595500000000, -0.0000741400000000, 0.0001664800000000 ] - [ 0.0005288100000000, -0.0006212900000000, -0.0003247500000000 ] - [ -0.0001752700000000, 0.0001805700000000, 0.0002740400000000 ] - [ 0.0003725200000000, -0.0002465200000000, 0.0001513100000000 ] - [ -0.0000248100000000, 0.0002756600000000, 0.0001552000000000 ] - [ 0.0000009200000000, 0.0000037500000000, 0.0014890100000000 ] - [ 0.0003614500000000, -0.0005885500000000, 0.0000865500000000 ] - [ 0.0003209000000000, 0.0006011400000000, 0.0000804600000000 ] - [ -0.0008791800000000, 0.0005678900000000, -0.0001479800000000 ] - [ 0.0000949100000000, 0.0003030200000000, -0.0001216600000000 ] - [ -0.0007025100000000, 0.0000234300000000, -0.0001368200000000 ] - [ -0.0000435100000000, -0.0000848300000000, 0.0000925200000000 ] - [ 0.0003312700000000, -0.0006280300000000, -0.0001384300000000 ] - [ -0.0000155500000000, -0.0000704200000000, -0.0003959400000000 ] - [ 0.0007988100000000, 0.0008954400000000, 0.0002303700000000 ] - [ -0.0003878800000000, -0.0079374500000000, -0.0167947800000000 ] - [ 0.0010077200000000, -0.0006218100000000, -0.0008542600000000 ] - [ 0.0000485500000000, 0.0000213900000000, 0.0005074800000000 ] - [ 0.0008576500000000, -0.0004313100000000, -0.0001495500000000 ] - [ -0.0001796200000000, -0.0000216000000000, 0.0006698500000000 ] - [ 0.0002350500000000, 0.0000851000000000, -0.0004695900000000 ] - [ 0.0003871900000000, -0.0009074500000000, 0.0001237500000000 ] - [ 0.0002440900000000, 0.0000496100000000, 0.0002728200000000 ] - [ -0.0001846100000000, -0.0002814200000000, 0.0006394600000000 ] - [ 0.0000274400000000, -0.0000405800000000, 0.0003276100000000 ] - [ -0.0002692800000000, 0.0002213400000000, -0.0006208100000000 ] - [ -0.0001337400000000, -0.0001225100000000, 0.0001478200000000 ] - [ 0.0018866900000000, 0.0034164100000000, -0.0002690300000000 ] - [ 0.0000472300000000, 0.0000276800000000, 0.0003788700000000 ] - [ -0.0000234000000000, -0.0001790700000000, 0.0001619400000000 ] - [ 0.0000063200000000, -0.0000600000000000, 0.0003798800000000 ] - [ -0.0000514400000000, 0.0002302100000000, -0.0003422000000000 ] - [ 0.0000274200000000, 0.0000316400000000, 0.0003503700000000 ] - [ 0.0001774900000000, -0.0000205900000000, 0.0000630500000000 ] - [ -0.0000618200000000, -0.0000032200000000, 0.0003540500000000 ] - [ -0.0000559400000000, 0.0000297700000000, 0.0003786300000000 ] - [ -0.0001397700000000, 0.0001186300000000, 0.0000505200000000 ] - [ 0.0001902900000000, -0.0003596200000000, -0.0003467400000000 ] - [ -0.0000354400000000, -0.0000998200000000, -0.0001096700000000 ] - [ -0.0009582600000000, -0.0019953900000000, -0.0005238400000000 ] - [ 0.0003344300000000, 0.0006883400000000, 0.0008561800000000 ] - [ 0.0003229000000000, 0.0000809300000000, -0.0006247000000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017324100000000, 0.0026211700000000, 0.0010901600000000 ] - [ -0.0001044100000000, 0.0002315800000000, 0.0004287700000000 ] - [ 0.0001530900000000, -0.0000516200000000, -0.0001438500000000 ] - [ -0.0000061200000000, -0.0002426300000000, 0.0004037700000000 ] - [ -0.0001789000000000, 0.0002620900000000, -0.0004324300000000 ] - [ -0.0004166700000000, -0.0001922900000000, 0.0003456200000000 ] - [ 0.0002189900000000, -0.0002436100000000, 0.0001342600000000 ] - [ -0.0003297000000000, -0.0001733700000000, -0.0004386800000000 ] - [ 0.0004010800000000, 0.0002044200000000, -0.0007600500000000 ] - [ 0.0002236900000000, 0.0003238000000000, 0.0006641900000000 ] - [ 0.0002440800000000, -0.0002231600000000, 0.0007030500000000 ] - [ -0.0004595000000000, -0.0008378900000000, -0.0062445300000000 ] - [ -0.0000948200000000, -0.0001342500000000, 0.0000714600000000 ] - [ 0.0001250400000000, -0.0003812300000000, -0.0009740200000000 ] - [ 0.0002435100000000, -0.0000692600000000, -0.0003938000000000 ] - [ -0.0001533700000000, -0.0001875300000000, 0.0004274000000000 ] - [ 0.0002464400000000, -0.0000190600000000, 0.0004207700000000 ] - [ 0.0002253100000000, 0.0000976800000000, 0.0004034900000000 ] - [ -0.0000306100000000, 0.0001072600000000, 0.0004846100000000 ] - [ -0.0001425300000000, 0.0002468000000000, 0.0002713900000000 ] - [ 0.0003380700000000, -0.0000270000000000, 0.0002825200000000 ] - [ 0.0001121400000000, 0.0000696300000000, 0.0004324900000000 ] - [ 0.0002438200000000, -0.0001014200000000, -0.0000019400000000 ] - [ -0.0002817400000000, -0.0001239200000000, -0.0000919200000000 ] - [ 0.0001144700000000, -0.0000412300000000, 0.0007154200000000 ] - [ -0.0001692900000000, -0.0002541800000000, 0.0002287200000000 ] - [ -0.0000499500000000, 0.0001187000000000, 0.0001652100000000 ] - [ 0.0000477400000000, 0.0002676900000000, -0.0008325100000000 ] - [ -0.0000359600000000, 0.0002175900000000, -0.0000128700000000 ] - [ -0.0001124800000000, 0.0002964400000000, -0.0005272400000000 ] - [ 0.0002666800000000, 0.0003298800000000, 0.0006985700000000 ] - [ 0.0010086500000000, 0.0004943200000000, -0.0001631000000000 ] - [ -0.0001046100000000, 0.0005326400000000, -0.0005754800000000 ] - [ 0.0003060000000000, -0.0000954500000000, -0.0005260900000000 ] - [ -0.0010478800000000, -0.0007994000000000, -0.0003914500000000 ] - [ 0.0000855000000000, 0.0003113200000000, 0.0007231100000000 ] - [ -0.0003894500000000, 0.0001833200000000, 0.0001497000000000 ] - [ 0.0000077600000000, 0.0011445600000000, -0.0001613500000000 ] - [ -0.0000107300000000, -0.0005791100000000, 0.0003817300000000 ] - [ -0.0003471300000000, -0.0002114100000000, -0.0011508000000000 ] - [ 0.0002017200000000, 0.0000377900000000, 0.0000332000000000 ] - [ -0.0003213800000000, -0.0000806500000000, 0.0007019000000000 ] - [ -0.0000193800000000, -0.0000948800000000, 0.0001962300000000 ] - [ -0.0001918100000000, 0.0002783500000000, 0.0002893600000000 ] - [ 0.0000100200000000, -0.0001263300000000, 0.0004401300000000 ] - [ 0.0031429200000000, -0.0003824200000000, 0.0010878900000000 ] - [ -0.0001046300000000, 0.0001310500000000, 0.0000567400000000 ] - [ -0.0000839500000000, -0.0000891600000000, 0.0004610600000000 ] - [ -0.0001147500000000, 0.0000629800000000, 0.0004316500000000 ] - [ 0.0000976000000000, 0.0000152700000000, 0.0001874100000000 ] - [ 0.0018443500000000, 0.0005355600000000, -0.0033829700000000 ] - [ -0.0001176900000000, -0.0002781200000000, 0.0000519600000000 ] - [ -0.0002105500000000, 0.0001259300000000, 0.0003949500000000 ] - [ -0.0002408700000000, -0.0013321100000000, -0.0004151100000000 ] - [ -0.0000626000000000, 0.0001709200000000, -0.0001335000000000 ] - [ 0.0001096800000000, -0.0000237300000000, 0.0004598100000000 ] - [ 0.0000211300000000, 0.0000039000000000, 0.0002414200000000 ] - [ -0.0015341600000000, -0.0024448400000000, 0.0030084100000000 ] - [ -0.0000994300000000, -0.0000820500000000, 0.0006959600000000 ] - [ -0.0000155300000000, 0.0001246900000000, 0.0006918500000000 ] - [ 0.0002808600000000, -0.0000640400000000, 0.0002713700000000 ] - [ -0.0000079100000000, -0.0002929200000000, -0.0003883600000000 ] - [ -0.0003553600000000, 0.0019946200000000, -0.0034641300000000 ] - [ 0.0009568300000000, 0.0014968500000000, 0.0007048500000000 ] - [ 0.0003395000000000, 0.0000441500000000, 0.0010025700000000 ] - [ -0.0000950600000000, -0.0001770500000000, 0.0047970600000000 ] - [ 0.0000058300000000, 0.0000031100000000, 0.0004928800000000 ] - [ 0.0001539900000000, 0.0001418000000000, 0.0010440600000000 ] - [ -0.0000033700000000, -0.0000049900000000, 0.0010933500000000 ] - [ 0.0003094800000000, 0.0001693900000000, -0.0011162100000000 ] - [ 0.0002482700000000, 0.0001556700000000, 0.0004259900000000 ] - [ 0.0030608800000000, -0.0023284900000000, -0.0012888800000000 ] - [ -0.0042462800000000, 0.0011825400000000, -0.0013381600000000 ] - [ -0.0001746200000000, 0.0001671500000000, 0.0011924300000000 ] - [ 0.0001720400000000, 0.0001754100000000, 0.0004305800000000 ] - [ 0.0003322800000000, 0.0001336100000000, -0.0017931400000000 ] - [ 0.0014821900000000, -0.0013183700000000, 0.0005765300000000 ] - [ -0.0018742700000000, 0.0007463400000000, 0.0005781900000000 ] - [ 0.0000432600000000, -0.0002984600000000, 0.0010400700000000 ] - [ -0.0001248500000000, -0.0003195600000000, 0.0011778000000000 ] - [ -0.0000242000000000, 0.0004360700000000, -0.0021284900000000 ] - [ -0.0422796100000000, -0.0752887600000000, -0.1191124600000000 ] - [ 0.0000024600000000, 0.0000103000000000, 0.0013352000000000 ] - [ -0.0002234200000000, 0.0002630000000000, 0.0010050300000000 ] - [ -0.0000123000000000, 0.0000122200000000, -0.0001613500000000 ] - [ 0.0000911200000000, 0.0001627500000000, -0.0019023700000000 ] - [ 0.0000214700000000, -0.0000032800000000, 0.0001639900000000 ] - [ 0.0000032100000000, -0.0000151200000000, -0.0002258200000000 ] - [ 0.0000718500000000, 0.0001684400000000, -0.0000484100000000 ] - [ -0.0006564100000000, 0.0010825600000000, -0.0000608000000000 ] - [ 0.0000040500000000, -0.0000682000000000, 0.0016953900000000 ] - [ 0.0006633100000000, 0.0011967300000000, -0.0017841300000000 ] - [ 0.0001296400000000, 0.0003368500000000, -0.0004641200000000 ] - [ -0.0003580500000000, -0.0000696800000000, -0.0005428900000000 ] - [ 0.0001441300000000, 0.0000822900000000, -0.0006236900000000 ] - [ 0.0000018100000000, -0.0000036300000000, -0.0010239200000000 ] - [ 0.0011016400000000, -0.0005221600000000, 0.0013718400000000 ] - [ -0.0008012700000000, 0.0009362600000000, 0.0006070100000000 ] - [ 0.0004919500000000, -0.0000792800000000, 0.0011186200000000 ] - [ -0.0009709300000000, -0.0000268600000000, -0.0010567600000000 ] - [ 0.0000690600000000, -0.0001784100000000, -0.0005250600000000 ] - [ 0.0003055900000000, -0.0002040400000000, -0.0003513000000000 ] - [ -0.0007273500000000, 0.0001030600000000, -0.0014955400000000 ] - [ 0.0004927700000000, 0.0008082100000000, -0.0008336400000000 ] - [ -0.0000101400000000, 0.0000008400000000, -0.0002260600000000 ] - [ 0.0010386500000000, 0.0002003600000000, -0.0000011500000000 ] - [ 0.0011937900000000, 0.0000009900000000, 0.0006053400000000 ] - [ -0.0000399000000000, -0.0000109100000000, -0.0002354200000000 ] - [ -0.0000641700000000, -0.0001205600000000, -0.0009181600000000 ] - [ 0.0001284000000000, 0.0002903200000000, -0.0006535600000000 ] - [ -0.0001343700000000, -0.0001315000000000, 0.0012705700000000 ] - [ -0.0000263500000000, -0.0002656100000000, -0.0004947900000000 ] - [ -0.0002090700000000, -0.0002006300000000, -0.0003521700000000 ] - [ -0.0000658900000000, -0.0001021000000000, -0.0001625700000000 ] - [ 0.0014084400000000, -0.0000193100000000, -0.0000856600000000 ] - [ 0.0000034700000000, 0.0000067800000000, -0.0002316700000000 ] - [ -0.0002529800000000, 0.0001630800000000, -0.0005395100000000 ] - [ 0.0000009800000000, 0.0000034400000000, -0.0002311200000000 ] - [ 0.0023268600000000, -0.0015328500000000, -0.0005082500000000 ] - [ 0.0004558000000000, -0.0005827800000000, -0.0014968300000000 ] - [ -0.0001711800000000, 0.0000453200000000, 0.0003022300000000 ] - [ -0.0001869500000000, -0.0002949900000000, 0.0001948900000000 ] - [ -0.0002075300000000, 0.0001001700000000, -0.0005905400000000 ] - [ 0.0007719900000000, -0.0004708900000000, 0.0002741300000000 ] - [ 0.0002076100000000, 0.0002451500000000, -0.0009273700000000 ] - [ 0.0002088600000000, -0.0002276800000000, -0.0004382600000000 ] - [ 0.0574254300000000, 0.1021493700000000, 0.1230433800000000 ] - [ -0.0002865600000000, -0.0000716600000000, -0.0004938800000000 ] - [ -0.0007896500000000, -0.0006373000000000, 0.0001726300000000 ] - [ -0.0001757300000000, -0.0000221200000000, -0.0000489500000000 ] - [ -0.0021896300000000, 0.0009528100000000, -0.0003234400000000 ] - [ 0.0001681900000000, -0.0002555900000000, -0.0007184900000000 ] - [ -0.0004407400000000, -0.0001304600000000, -0.0000768300000000 ] - [ -0.0004377000000000, 0.0006412200000000, 0.0009929600000000 ] - [ -0.0000705000000000, 0.0001391500000000, -0.0009157700000000 ] - [ -0.0213565500000000, -0.0379627300000000, -0.0235622700000000 ] - [ 0.0001364500000000, -0.0000123800000000, -0.0009899500000000 ] - [ 0.0001064000000000, -0.0004665300000000, 0.0009521300000000 ] - [ -0.0002617600000000, -0.0000262600000000, -0.0006302200000000 ] - [ 0.0000335800000000, -0.0000199700000000, 0.0002678700000000 ] - [ 0.0066903400000000, 0.0043514600000000, 0.0170599700000000 ] - [ 0.0006231800000000, 0.0011023900000000, -0.0039453700000000 ] - [ -0.0000908300000000, -0.0000999400000000, 0.0005993500000000 ] - [ -0.0004179600000000, -0.0008119800000000, 0.0010026400000000 ] - [ -0.0001851800000000, -0.0001169200000000, -0.0002872800000000 ] - [ 0.0003412400000000, -0.0003223600000000, -0.0000757800000000 ] - [ -0.0004143200000000, -0.0009543400000000, 0.0005113700000000 ] - [ -0.0000629600000000, -0.0001389100000000, -0.0001601700000000 ] - [ -0.0004282400000000, 0.0008074400000000, -0.0000060600000000 ] - [ 0.0001146700000000, -0.0002842000000000, -0.0007863500000000 ] - [ -0.0001962600000000, 0.0002392500000000, -0.0003527100000000 ] - [ 0.0002509500000000, 0.0001173500000000, -0.0004952300000000 ] - [ -0.0000029300000000, -0.0000084800000000, 0.0001367800000000 ] - [ 0.0005046600000000, -0.0008281700000000, -0.0010569700000000 ] - [ 0.0004654000000000, 0.0008572900000000, -0.0010514000000000 ] - [ 0.0011560100000000, -0.0010233800000000, -0.0000956300000000 ] - [ 0.0000434500000000, 0.0000025000000000, -0.0005269700000000 ] - [ -0.0009569600000000, 0.0000181600000000, -0.0008334000000000 ] - [ 0.0000385200000000, -0.0002196800000000, -0.0005908800000000 ] - [ 0.0004541600000000, -0.0008379000000000, -0.0008312900000000 ] - [ -0.0000757700000000, -0.0000752100000000, 0.0007134000000000 ] - [ -0.0002121000000000, -0.0011332400000000, 0.0001402000000000 ] - [ 0.0002183300000000, 0.0078679200000000, 0.0170617100000000 ] - [ -0.0010564400000000, 0.0005523000000000, 0.0013176200000000 ] - [ -0.0000522100000000, -0.0000269700000000, -0.0005864700000000 ] - [ -0.0014094400000000, 0.0004199900000000, -0.0000961500000000 ] - [ 0.0001206600000000, 0.0004788400000000, -0.0001226800000000 ] - [ -0.0000744200000000, -0.0000924400000000, 0.0007898600000000 ] - [ -0.0008857300000000, 0.0005351300000000, 0.0002484900000000 ] - [ -0.0003035800000000, 0.0000668600000000, -0.0007849300000000 ] - [ 0.0001263900000000, -0.0001607700000000, -0.0000946700000000 ] - [ 0.0000155500000000, -0.0000459200000000, -0.0003768800000000 ] - [ 0.0001591500000000, -0.0004285900000000, 0.0008080000000000 ] - [ 0.0001302500000000, 0.0001069800000000, 0.0000130200000000 ] - [ -0.0023649100000000, -0.0034430000000000, 0.0006003800000000 ] - [ -0.0000203700000000, -0.0000753900000000, -0.0003463000000000 ] - [ 0.0000215800000000, 0.0001746100000000, -0.0000026500000000 ] - [ -0.0000609100000000, 0.0000590000000000, -0.0003468300000000 ] - [ 0.0002951500000000, 0.0001600800000000, 0.0006871700000000 ] - [ 0.0000148000000000, 0.0000426200000000, -0.0004058100000000 ] - [ -0.0001617200000000, 0.0000516400000000, -0.0007674700000000 ] - [ -0.0000344000000000, -0.0000032600000000, -0.0004033100000000 ] - [ 0.0000814900000000, 0.0000152700000000, -0.0003475800000000 ] - [ 0.0001255400000000, -0.0001122600000000, -0.0007591900000000 ] - [ 0.0000273700000000, -0.0000294500000000, 0.0006929500000000 ] - [ 0.0000496400000000, 0.0000908900000000, -0.0005967900000000 ] - [ 0.0011919900000000, 0.0019897900000000, 0.0007225200000000 ] - [ -0.0003506000000000, -0.0007068000000000, -0.0007042500000000 ] - [ -0.0004485300000000, 0.0001275000000000, 0.0008109200000000 ]- atom: 143 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000604500000000, 0.0000259700000000, 0.0003022300000000 ] - [ 0.0000140700000000, 0.0001097100000000, 0.0001396500000000 ] - [ 0.0000020000000000, 0.0003770700000000, 0.0012919500000000 ] - [ -0.0000656400000000, -0.0001663300000000, 0.0001852400000000 ] - [ 0.0032243400000000, -0.0010239800000000, -0.0000871600000000 ] - [ -0.0001319300000000, 0.0000104200000000, -0.0004978600000000 ] - [ 0.0004614100000000, -0.0000363200000000, 0.0000357000000000 ] - [ 0.0032243400000000, 0.0010239800000000, -0.0000871600000000 ] - [ -0.0002834000000000, 0.0006454500000000, 0.0000017400000000 ] - [ -0.0002249000000000, 0.0000503500000000, 0.0004503300000000 ] - [ -0.0000656400000000, 0.0001663300000000, 0.0001852400000000 ] - [ -0.0010129500000000, -0.0004087800000000, 0.0000966700000000 ] - [ -0.0001615400000000, -0.0002341600000000, -0.0003442600000000 ] - [ -0.0013363500000000, 0.0009503000000000, 0.0009291400000000 ] - [ -0.0001161700000000, -0.0007087200000000, -0.0002445700000000 ] - [ 0.0000140700000000, -0.0001097100000000, 0.0001396500000000 ] - [ 0.0001995600000000, 0.0000000000000000, 0.0002401200000000 ] - [ 0.0000926700000000, 0.0001370200000000, 0.0000902000000000 ] - [ -0.0000041000000000, 0.0001277100000000, 0.0000496900000000 ] - [ -0.0001615400000000, 0.0002341600000000, -0.0003442600000000 ] - [ 0.0004614100000000, 0.0000363200000000, 0.0000357000000000 ] - [ 0.0001558500000000, 0.0000564400000000, 0.0000639400000000 ] - [ 0.0000604500000000, -0.0000259700000000, 0.0003022300000000 ] - [ -0.0004576300000000, 0.0000000000000000, -0.0021469800000000 ] - [ 0.0000931400000000, 0.0000000000000000, 0.0002849600000000 ] - [ -0.0001255000000000, -0.0001608500000000, -0.0002769400000000 ] - [ 0.0000052200000000, 0.0001084000000000, -0.0001246500000000 ] - [ -0.0019573500000000, 0.0018751700000000, -0.0001927100000000 ] - [ -0.0000041800000000, -0.0000596000000000, 0.0003404300000000 ] - [ -0.0013363500000000, -0.0009503000000000, 0.0009291400000000 ] - [ -0.0000255000000000, 0.0000000000000000, -0.0001736400000000 ] - [ 0.0060173700000000, 0.0000000000000000, -0.0006706000000000 ] - [ 0.0009986600000000, -0.0008659300000000, -0.0000074500000000 ] - [ 0.0009986600000000, 0.0008659300000000, -0.0000074500000000 ] - [ -0.0001161700000000, 0.0007087200000000, -0.0002445700000000 ] - [ -0.0001159000000000, -0.0000355300000000, 0.0001067200000000 ] - [ -0.0002519100000000, 0.0005189600000000, 0.0001173900000000 ] - [ -0.0010129500000000, 0.0004087800000000, 0.0000966700000000 ] - [ -0.0002519100000000, -0.0005189600000000, 0.0001173900000000 ] - [ -0.0002834000000000, -0.0006454500000000, 0.0000017400000000 ] - [ 0.0002092700000000, 0.0000658900000000, -0.0002602300000000 ] - [ 0.0000926700000000, -0.0001370200000000, 0.0000902000000000 ] - [ 0.0000052200000000, -0.0001084000000000, -0.0001246500000000 ] - [ -0.0001319300000000, -0.0000104200000000, -0.0004978600000000 ] - [ -0.0000041000000000, -0.0001277100000000, 0.0000496900000000 ] - [ -0.0000041800000000, 0.0000596000000000, 0.0003404300000000 ] - [ -0.0001255000000000, 0.0001608500000000, -0.0002769400000000 ] - [ -0.0001210700000000, -0.0000852200000000, 0.0000604500000000 ] - [ -0.0001210700000000, 0.0000852200000000, 0.0000604500000000 ] - [ 0.0001645000000000, 0.0000000000000000, -0.0002443900000000 ] - [ -0.0019573500000000, -0.0018751700000000, -0.0001927100000000 ] - [ -0.0005867100000000, 0.0002594900000000, -0.0000031500000000 ] - [ -0.0001159000000000, 0.0000355300000000, 0.0001067200000000 ] - [ -0.0000569300000000, -0.0001342200000000, -0.0002404000000000 ] - [ 0.0000020000000000, -0.0003770700000000, 0.0012919500000000 ] - [ 0.0001558500000000, -0.0000564400000000, 0.0000639400000000 ] - [ -0.0002249000000000, -0.0000503500000000, 0.0004503300000000 ] - [ -0.0005867100000000, -0.0002594900000000, -0.0000031500000000 ] - [ -0.0000756100000000, -0.0001431900000000, 0.0002986300000000 ] - [ -0.0000756100000000, 0.0001431900000000, 0.0002986300000000 ] - [ 0.0002092700000000, -0.0000658900000000, -0.0002602300000000 ] - [ -0.0000569300000000, 0.0001342200000000, -0.0002404000000000 ] - [ -0.0009873800000000, 0.0000000000000000, 0.0001553400000000 ] - [ 0.0015445900000000, 0.0015556100000000, -0.0000805000000000 ] - [ 0.0000127900000000, 0.0001373100000000, 0.0003885900000000 ] - [ -0.0004424800000000, 0.0002854000000000, 0.0000815800000000 ] - [ -0.0000408300000000, 0.0000026400000000, -0.0004888900000000 ] - [ 0.0002052200000000, 0.0001140900000000, -0.0000997600000000 ] - [ -0.0000408300000000, -0.0000026400000000, -0.0004888900000000 ] - [ 0.0881566800000000, 0.0000000000000000, -0.0003622200000000 ] - [ 0.0030575000000000, 0.0000000000000000, -0.0003194800000000 ] - [ 0.0015372500000000, -0.0031667000000000, 0.0001604100000000 ] - [ -0.0046141700000000, 0.0000000000000000, -0.0010590900000000 ] - [ -0.0004477000000000, 0.0000000000000000, 0.0000586200000000 ] - [ -0.0004424800000000, -0.0002854000000000, 0.0000815800000000 ] - [ 0.0015372500000000, 0.0031667000000000, 0.0001604100000000 ] - [ -0.0013265400000000, 0.0000000000000000, 0.0010551100000000 ] - [ 0.0015445900000000, -0.0015556100000000, -0.0000805000000000 ] - [ 0.0002052200000000, -0.0001140900000000, -0.0000997600000000 ] - [ -0.0000236900000000, 0.0000000000000000, -0.0004060600000000 ] - [ -0.0009560600000000, 0.0006425100000000, -0.0003035300000000 ] - [ -0.0009560600000000, -0.0006425100000000, -0.0003035300000000 ] - [ 0.0000834000000000, 0.0000000000000000, 0.0003582700000000 ] - [ 0.0000127900000000, -0.0001373100000000, 0.0003885900000000 ] - [ 0.0000601500000000, -0.0000079000000000, -0.0001206100000000 ] - [ 0.0000601500000000, 0.0000079000000000, -0.0001206100000000 ] - [ -0.0005255700000000, 0.0000000000000000, 0.0001596600000000 ] - [ 0.0000271900000000, -0.0000924200000000, 0.0001200900000000 ] - [ 0.0002030500000000, 0.0000727700000000, 0.0002085400000000 ] - [ 0.0011016000000000, 0.0000000000000000, 0.0002437200000000 ] - [ 0.0002230600000000, -0.0001452600000000, 0.0005370200000000 ] - [ 0.0001372600000000, 0.0000522000000000, -0.0003481200000000 ] - [ 0.0000852200000000, 0.0001932400000000, -0.0000439800000000 ] - [ -0.0000393500000000, 0.0000000000000000, -0.0000553900000000 ] - [ 0.0001852600000000, 0.0000904900000000, -0.0003314500000000 ] - [ -0.0000287600000000, 0.0000000000000000, -0.0004166600000000 ] - [ 0.0015764500000000, 0.0000000000000000, 0.0004288400000000 ] - [ 0.0003331100000000, 0.0000033500000000, -0.0002886700000000 ] - [ 0.0046900100000000, 0.0000000000000000, 0.0438734600000000 ] - [ -0.0008075300000000, -0.0000101100000000, -0.0004797800000000 ] - [ 0.0001372600000000, -0.0000522000000000, -0.0003481200000000 ] - [ -0.0003223900000000, 0.0002038600000000, 0.0001073400000000 ] - [ 0.0000980800000000, 0.0000493500000000, -0.0003448200000000 ] - [ 0.0004588700000000, 0.0007122600000000, -0.0004876600000000 ] - [ -0.0001630900000000, 0.0000000000000000, 0.0001354800000000 ] - [ 0.0019494900000000, 0.0001271700000000, 0.0004502100000000 ] - [ -0.0005838800000000, 0.0001301100000000, -0.0000839000000000 ] - [ -0.0009925800000000, 0.0004110500000000, 0.0005839500000000 ] - [ -0.0000794900000000, -0.0000909300000000, -0.0001671600000000 ] - [ -0.0000397600000000, 0.0000722200000000, -0.0001808200000000 ] - [ -0.0003041600000000, -0.0010147000000000, 0.0001389300000000 ] - [ 0.0001488600000000, -0.0002782900000000, -0.0002362900000000 ] - [ -0.0003223900000000, -0.0002038600000000, 0.0001073400000000 ] - [ 0.0002184100000000, 0.0000974600000000, -0.0000148400000000 ] - [ -0.0003577300000000, 0.0016487900000000, 0.0009303900000000 ] - [ 0.0000159400000000, -0.0000000400000000, 0.0008131400000000 ] - [ -0.0000552400000000, 0.0000000000000000, -0.0000380500000000 ] - [ 0.0000271900000000, 0.0000924200000000, 0.0001200900000000 ] - [ 0.0020597700000000, 0.0000000000000000, 0.0002538300000000 ] - [ 0.0003200600000000, -0.0003755100000000, -0.0002816700000000 ] - [ -0.0013751100000000, -0.0004666500000000, -0.0003786200000000 ] - [ 0.0001632800000000, -0.0020304400000000, -0.0004378400000000 ] - [ -0.0001762900000000, 0.0000549700000000, -0.0002402000000000 ] - [ -0.0003001500000000, 0.0002604900000000, 0.0001977300000000 ] - [ 0.0001921100000000, 0.0000000000000000, 0.0001723700000000 ] - [ 0.0000852200000000, -0.0001932400000000, -0.0000439800000000 ] - [ 0.0006455300000000, 0.0004465900000000, 0.0002498200000000 ] - [ 0.0000980800000000, -0.0000493500000000, -0.0003448200000000 ] - [ -0.0003001500000000, -0.0002604900000000, 0.0001977300000000 ] - [ -0.0002599000000000, 0.0001467700000000, 0.0002143500000000 ] - [ 0.0001632800000000, 0.0020304400000000, -0.0004378400000000 ] - [ 0.0001852600000000, -0.0000904900000000, -0.0003314500000000 ] - [ -0.0002599000000000, -0.0001467700000000, 0.0002143500000000 ] - [ -0.0115480700000000, -0.0083534000000000, -0.0211869900000000 ] - [ -0.0000794900000000, 0.0000909300000000, -0.0001671600000000 ] - [ 0.0002230600000000, 0.0001452600000000, 0.0005370200000000 ] - [ 0.0001710300000000, 0.0000000000000000, -0.0002365100000000 ] - [ 0.0006455300000000, -0.0004465900000000, 0.0002498200000000 ] - [ -0.0001762900000000, -0.0000549700000000, -0.0002402000000000 ] - [ 0.0001490400000000, -0.0012923800000000, -0.0003754100000000 ] - [ 0.0007214800000000, -0.0000978900000000, 0.0000267600000000 ] - [ 0.0002184100000000, -0.0000974600000000, -0.0000148400000000 ] - [ -0.0824671900000000, 0.0000000000000000, 0.0002666300000000 ] - [ -0.0115480700000000, 0.0083534000000000, -0.0211869900000000 ] - [ -0.0013282700000000, 0.0000000000000000, -0.0011812000000000 ] - [ 0.0002030500000000, -0.0000727700000000, 0.0002085400000000 ] - [ -0.0003577300000000, -0.0016487900000000, 0.0009303900000000 ] - [ -0.0009925800000000, -0.0004110500000000, 0.0005839500000000 ] - [ 0.0001490400000000, 0.0012923800000000, -0.0003754100000000 ] - [ -0.0000370400000000, 0.0000226600000000, -0.0004689300000000 ] - [ 0.0003015600000000, 0.0000000000000000, -0.0005274600000000 ] - [ 0.0001488600000000, 0.0002782900000000, -0.0002362900000000 ] - [ 0.0000159400000000, 0.0000000400000000, 0.0008131400000000 ] - [ 0.0004588700000000, -0.0007122600000000, -0.0004876600000000 ] - [ 0.0004024700000000, 0.0007373100000000, -0.0004912500000000 ] - [ 0.0019494900000000, -0.0001271700000000, 0.0004502100000000 ] - [ 0.0003200600000000, 0.0003755100000000, -0.0002816700000000 ] - [ -0.0008075300000000, 0.0000101100000000, -0.0004797800000000 ] - [ -0.0000397600000000, -0.0000722200000000, -0.0001808200000000 ] - [ 0.0004024700000000, -0.0007373100000000, -0.0004912500000000 ] - [ 0.0000796300000000, -0.0003260500000000, 0.0002020800000000 ] - [ -0.0005838800000000, -0.0001301100000000, -0.0000839000000000 ] - [ 0.0000796300000000, 0.0003260500000000, 0.0002020800000000 ] - [ -0.0003041600000000, 0.0010147000000000, 0.0001389300000000 ] - [ -0.0005464100000000, 0.0000000000000000, -0.0000490900000000 ] - [ -0.0013751100000000, 0.0004666500000000, -0.0003786200000000 ] - [ -0.0000475000000000, 0.0001742600000000, 0.0003945700000000 ] - [ 0.0007214800000000, 0.0000978900000000, 0.0000267600000000 ] - [ 0.0003331100000000, -0.0000033500000000, -0.0002886700000000 ] - [ -0.0000370400000000, -0.0000226600000000, -0.0004689300000000 ] - [ -0.0000475000000000, -0.0001742600000000, 0.0003945700000000 ] - [ 0.0000121200000000, -0.0000593000000000, -0.0000457200000000 ] - [ 0.0002417700000000, 0.0006041400000000, -0.0002189200000000 ] - [ -0.0000492300000000, -0.0004198000000000, 0.0003238500000000 ] - [ 0.0021614200000000, 0.0000000000000000, -0.0000003400000000 ] - [ -0.0000016800000000, -0.0000458900000000, 0.0000329000000000 ] - [ -0.0000492300000000, 0.0004198000000000, 0.0003238500000000 ] - [ -0.0000037200000000, 0.0000000000000000, -0.0000228100000000 ] - [ 0.0003199100000000, 0.0014610600000000, 0.0002611400000000 ] - [ 0.0000121200000000, 0.0000593000000000, -0.0000457200000000 ] - [ -0.0000388000000000, 0.0000873100000000, -0.0004930000000000 ] - [ -0.0000236300000000, 0.0000000000000000, 0.0000126000000000 ] - [ -0.0000016800000000, 0.0000458900000000, 0.0000329000000000 ] - [ 0.0000779100000000, 0.0000000000000000, -0.0000808200000000 ] - [ 0.0003199100000000, -0.0014610600000000, 0.0002611400000000 ] - [ -0.0000388000000000, -0.0000873100000000, -0.0004930000000000 ] - [ 0.0016264300000000, 0.0000000000000000, 0.0007353900000000 ] - [ 0.0006729900000000, 0.0000000000000000, -0.0004131500000000 ] - [ 0.0002417700000000, -0.0006041400000000, -0.0002189200000000 ]- atom: 143 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000063900000000, 0.0003977500000000, 0.0001267200000000 ] - [ -0.0001305100000000, 0.0001078800000000, 0.0002059000000000 ] - [ -0.0000635300000000, -0.0002556400000000, -0.0009959400000000 ] - [ 0.0000793300000000, -0.0001194200000000, 0.0000698100000000 ] - [ -0.0034853600000000, 0.0015320000000000, -0.0004171100000000 ] - [ -0.0000859700000000, -0.0004023000000000, 0.0004918100000000 ] - [ -0.0000085600000000, 0.0000471100000000, -0.0000458000000000 ] - [ -0.0034853600000000, -0.0015320000000000, -0.0004171100000000 ] - [ 0.0001515100000000, -0.0004054700000000, 0.0001080500000000 ] - [ -0.0000063600000000, 0.0003331500000000, -0.0004572900000000 ] - [ 0.0000793300000000, 0.0001194200000000, 0.0000698100000000 ] - [ 0.0008782800000000, -0.0000255100000000, -0.0003541700000000 ] - [ -0.0000367900000000, -0.0001857100000000, -0.0002429900000000 ] - [ 0.0013430300000000, -0.0011079600000000, -0.0004457200000000 ] - [ 0.0005493000000000, 0.0006064100000000, -0.0000172900000000 ] - [ -0.0001305100000000, -0.0001078800000000, 0.0002059000000000 ] - [ 0.0000559900000000, 0.0000000000000000, 0.0001044400000000 ] - [ 0.0001490800000000, 0.0000328600000000, 0.0001617200000000 ] - [ -0.0000251600000000, 0.0001670400000000, 0.0000646900000000 ] - [ -0.0000367900000000, 0.0001857100000000, -0.0002429900000000 ] - [ -0.0000085600000000, -0.0000471100000000, -0.0000458000000000 ] - [ 0.0001096000000000, 0.0000612800000000, 0.0000546100000000 ] - [ -0.0000063900000000, -0.0003977500000000, 0.0001267200000000 ] - [ 0.0005842300000000, 0.0000000000000000, 0.0024344600000000 ] - [ 0.0001845600000000, 0.0000000000000000, 0.0003031100000000 ] - [ -0.0001456600000000, -0.0002113900000000, -0.0003090900000000 ] - [ -0.0001165500000000, 0.0000926900000000, -0.0002067000000000 ] - [ 0.0018061800000000, -0.0019344700000000, 0.0006822200000000 ] - [ 0.0003400900000000, 0.0003110700000000, 0.0000887800000000 ] - [ 0.0013430300000000, 0.0011079600000000, -0.0004457200000000 ] - [ 0.0007742900000000, 0.0000000000000000, 0.0002162900000000 ] - [ -0.0051250900000000, 0.0000000000000000, -0.0000058300000000 ] - [ -0.0008626900000000, 0.0009482900000000, 0.0004980700000000 ] - [ -0.0008626900000000, -0.0009482900000000, 0.0004980700000000 ] - [ 0.0005493000000000, -0.0006064100000000, -0.0000172900000000 ] - [ -0.0001463700000000, -0.0000839700000000, 0.0001482700000000 ] - [ -0.0001289400000000, 0.0001287700000000, -0.0000777800000000 ] - [ 0.0008782800000000, 0.0000255100000000, -0.0003541700000000 ] - [ -0.0001289400000000, -0.0001287700000000, -0.0000777800000000 ] - [ 0.0001515100000000, 0.0004054700000000, 0.0001080500000000 ] - [ 0.0002580100000000, -0.0000096300000000, -0.0003262200000000 ] - [ 0.0001490800000000, -0.0000328600000000, 0.0001617200000000 ] - [ -0.0001165500000000, -0.0000926900000000, -0.0002067000000000 ] - [ -0.0000859700000000, 0.0004023000000000, 0.0004918100000000 ] - [ -0.0000251600000000, -0.0001670400000000, 0.0000646900000000 ] - [ 0.0003400900000000, -0.0003110700000000, 0.0000887800000000 ] - [ -0.0001456600000000, 0.0002113900000000, -0.0003090900000000 ] - [ -0.0001167900000000, -0.0000888800000000, 0.0000536800000000 ] - [ -0.0001167900000000, 0.0000888800000000, 0.0000536800000000 ] - [ 0.0000709200000000, 0.0000000000000000, -0.0000835400000000 ] - [ 0.0018061800000000, 0.0019344700000000, 0.0006822200000000 ] - [ 0.0001922400000000, -0.0000910400000000, 0.0004304100000000 ] - [ -0.0001463700000000, 0.0000839700000000, 0.0001482700000000 ] - [ -0.0002507900000000, 0.0004627200000000, -0.0000174100000000 ] - [ -0.0000635300000000, 0.0002556400000000, -0.0009959400000000 ] - [ 0.0001096000000000, -0.0000612800000000, 0.0000546100000000 ] - [ -0.0000063600000000, -0.0003331500000000, -0.0004572900000000 ] - [ 0.0001922400000000, 0.0000910400000000, 0.0004304100000000 ] - [ -0.0000602100000000, -0.0000997300000000, 0.0002876100000000 ] - [ -0.0000602100000000, 0.0000997300000000, 0.0002876100000000 ] - [ 0.0002580100000000, 0.0000096300000000, -0.0003262200000000 ] - [ -0.0002507900000000, -0.0004627200000000, -0.0000174100000000 ] - [ 0.0012649900000000, 0.0000000000000000, -0.0000494000000000 ] - [ -0.0014812800000000, -0.0016525200000000, 0.0006768300000000 ] - [ -0.0000810000000000, -0.0000207300000000, -0.0001404700000000 ] - [ 0.0004419400000000, -0.0002916500000000, 0.0000813400000000 ] - [ 0.0000405000000000, -0.0000030500000000, -0.0004888900000000 ] - [ 0.0000771500000000, 0.0003768100000000, 0.0000058500000000 ] - [ 0.0000405000000000, 0.0000030500000000, -0.0004888900000000 ] - [ -0.0881367000000000, 0.0000000000000000, -0.0003627700000000 ] - [ -0.0030648200000000, 0.0000000000000000, -0.0003199800000000 ] - [ -0.0013024600000000, 0.0035525100000000, -0.0006537500000000 ] - [ 0.0041841200000000, 0.0000000000000000, 0.0005683400000000 ] - [ -0.0001202000000000, 0.0000000000000000, -0.0001519700000000 ] - [ 0.0004419400000000, 0.0002916500000000, 0.0000813400000000 ] - [ -0.0013024600000000, -0.0035525100000000, -0.0006537500000000 ] - [ 0.0012043600000000, 0.0000000000000000, -0.0004578700000000 ] - [ -0.0014812800000000, 0.0016525200000000, 0.0006768300000000 ] - [ 0.0000771500000000, -0.0003768100000000, 0.0000058500000000 ] - [ 0.0001571400000000, 0.0000000000000000, 0.0006495500000000 ] - [ 0.0009550400000000, -0.0006473000000000, -0.0003035300000000 ] - [ 0.0009550400000000, 0.0006473000000000, -0.0003035300000000 ] - [ -0.0000826900000000, 0.0000000000000000, 0.0003578700000000 ] - [ -0.0000810000000000, 0.0000207300000000, -0.0001404700000000 ] - [ -0.0000620300000000, 0.0000075000000000, -0.0001210300000000 ] - [ -0.0000620300000000, -0.0000075000000000, -0.0001210300000000 ] - [ 0.0005248400000000, 0.0000000000000000, 0.0001597800000000 ] - [ 0.0000906800000000, -0.0001101500000000, 0.0001307400000000 ] - [ 0.0002250500000000, 0.0001111900000000, 0.0003371300000000 ] - [ -0.0004659500000000, 0.0000000000000000, 0.0001821200000000 ] - [ -0.0002231500000000, 0.0001446900000000, 0.0005380900000000 ] - [ 0.0000620000000000, 0.0002229600000000, -0.0003027500000000 ] - [ 0.0000719900000000, 0.0000710500000000, -0.0000515400000000 ] - [ -0.0002638400000000, 0.0000000000000000, -0.0000398600000000 ] - [ 0.0000846500000000, 0.0000535800000000, -0.0001704200000000 ] - [ 0.0000269600000000, 0.0000000000000000, -0.0004185000000000 ] - [ -0.0015013900000000, 0.0000000000000000, 0.0000453400000000 ] - [ -0.0008230300000000, 0.0003778300000000, 0.0006577200000000 ] - [ -0.0034158800000000, 0.0000000000000000, -0.0424860900000000 ] - [ -0.0008566500000000, -0.0000370900000000, -0.0004928300000000 ] - [ 0.0000620000000000, -0.0002229600000000, -0.0003027500000000 ] - [ 0.0002271800000000, -0.0003587900000000, -0.0003142800000000 ] - [ -0.0004324600000000, -0.0000130100000000, -0.0003048700000000 ] - [ 0.0004107200000000, 0.0007034200000000, -0.0004854200000000 ] - [ -0.0000716200000000, 0.0000000000000000, 0.0001155900000000 ] - [ -0.0016979200000000, 0.0003221900000000, -0.0006966400000000 ] - [ 0.0011544200000000, 0.0001054300000000, 0.0004548800000000 ] - [ 0.0008681500000000, -0.0001937600000000, -0.0005946100000000 ] - [ -0.0000527900000000, -0.0001455100000000, -0.0002163100000000 ] - [ 0.0000340200000000, 0.0002331300000000, -0.0003200700000000 ] - [ 0.0002571200000000, 0.0010862500000000, 0.0003335600000000 ] - [ 0.0000818900000000, -0.0001175100000000, -0.0001047400000000 ] - [ 0.0002271800000000, 0.0003587900000000, -0.0003142800000000 ] - [ -0.0002168600000000, -0.0000987800000000, -0.0000129400000000 ] - [ 0.0002803300000000, -0.0010350600000000, -0.0005568800000000 ] - [ -0.0000184200000000, 0.0000003400000000, 0.0008157600000000 ] - [ -0.0004007800000000, 0.0000000000000000, -0.0003012200000000 ] - [ 0.0000906800000000, 0.0001101500000000, 0.0001307400000000 ] - [ -0.0022840600000000, 0.0000000000000000, -0.0005864900000000 ] - [ -0.0001841800000000, 0.0000721200000000, -0.0003677200000000 ] - [ 0.0008438600000000, 0.0004719000000000, 0.0001367900000000 ] - [ 0.0000930600000000, 0.0024826500000000, 0.0001930900000000 ] - [ -0.0000821700000000, 0.0001069800000000, -0.0002616000000000 ] - [ -0.0000188600000000, -0.0008057100000000, 0.0002277100000000 ] - [ -0.0000612800000000, 0.0000000000000000, -0.0006816800000000 ] - [ 0.0000719900000000, -0.0000710500000000, -0.0000515400000000 ] - [ -0.0007284900000000, -0.0005972700000000, 0.0000678500000000 ] - [ -0.0004324600000000, 0.0000130100000000, -0.0003048700000000 ] - [ -0.0000188600000000, 0.0008057100000000, 0.0002277100000000 ] - [ -0.0001068100000000, 0.0001277400000000, 0.0003301800000000 ] - [ 0.0000930600000000, -0.0024826500000000, 0.0001930900000000 ] - [ 0.0000846500000000, -0.0000535800000000, -0.0001704200000000 ] - [ -0.0001068100000000, -0.0001277400000000, 0.0003301800000000 ] - [ 0.0111185000000000, 0.0094136800000000, 0.0219919100000000 ] - [ -0.0000527900000000, 0.0001455100000000, -0.0002163100000000 ] - [ -0.0002231500000000, -0.0001446900000000, 0.0005380900000000 ] - [ 0.0001035100000000, 0.0000000000000000, -0.0001454200000000 ] - [ -0.0007284900000000, 0.0005972700000000, 0.0000678500000000 ] - [ -0.0000821700000000, -0.0001069800000000, -0.0002616000000000 ] - [ -0.0000463400000000, 0.0011029400000000, 0.0000446100000000 ] - [ -0.0005493700000000, 0.0001023300000000, 0.0002914200000000 ] - [ -0.0002168600000000, 0.0000987800000000, -0.0000129400000000 ] - [ 0.0816751200000000, 0.0000000000000000, 0.0002600500000000 ] - [ 0.0111185000000000, -0.0094136800000000, 0.0219919100000000 ] - [ 0.0015816100000000, 0.0000000000000000, 0.0011766100000000 ] - [ 0.0002250500000000, -0.0001111900000000, 0.0003371300000000 ] - [ 0.0002803300000000, 0.0010350600000000, -0.0005568800000000 ] - [ 0.0008681500000000, 0.0001937600000000, -0.0005946100000000 ] - [ -0.0000463400000000, -0.0011029400000000, 0.0000446100000000 ] - [ -0.0000227500000000, -0.0001319900000000, -0.0000426900000000 ] - [ -0.0001231400000000, 0.0000000000000000, 0.0003175200000000 ] - [ 0.0000818900000000, 0.0001175100000000, -0.0001047400000000 ] - [ -0.0000184200000000, -0.0000003400000000, 0.0008157600000000 ] - [ 0.0004107200000000, -0.0007034200000000, -0.0004854200000000 ] - [ 0.0003851400000000, 0.0007278700000000, -0.0004816200000000 ] - [ -0.0016979200000000, -0.0003221900000000, -0.0006966400000000 ] - [ -0.0001841800000000, -0.0000721200000000, -0.0003677200000000 ] - [ -0.0008566500000000, 0.0000370900000000, -0.0004928300000000 ] - [ 0.0000340200000000, -0.0002331300000000, -0.0003200700000000 ] - [ 0.0003851400000000, -0.0007278700000000, -0.0004816200000000 ] - [ -0.0001667400000000, 0.0001833300000000, 0.0001173000000000 ] - [ 0.0011544200000000, -0.0001054300000000, 0.0004548800000000 ] - [ -0.0001667400000000, -0.0001833300000000, 0.0001173000000000 ] - [ 0.0002571200000000, -0.0010862500000000, 0.0003335600000000 ] - [ 0.0005448600000000, 0.0000000000000000, -0.0000509200000000 ] - [ 0.0008438600000000, -0.0004719000000000, 0.0001367900000000 ] - [ -0.0000097200000000, 0.0002783500000000, 0.0001505200000000 ] - [ -0.0005493700000000, -0.0001023300000000, 0.0002914200000000 ] - [ -0.0008230300000000, -0.0003778300000000, 0.0006577200000000 ] - [ -0.0000227500000000, 0.0001319900000000, -0.0000426900000000 ] - [ -0.0000097200000000, -0.0002783500000000, 0.0001505200000000 ] - [ 0.0000300600000000, -0.0000200800000000, -0.0000079600000000 ] - [ -0.0003517900000000, -0.0007961100000000, 0.0004127700000000 ] - [ 0.0000450300000000, 0.0004174400000000, -0.0001674200000000 ] - [ -0.0026131400000000, 0.0000000000000000, 0.0003471700000000 ] - [ 0.0000281700000000, -0.0000008300000000, -0.0000033100000000 ] - [ 0.0000450300000000, -0.0004174400000000, -0.0001674200000000 ] - [ -0.0000511500000000, 0.0000000000000000, 0.0000531100000000 ] - [ -0.0000831700000000, -0.0010613900000000, 0.0000863300000000 ] - [ 0.0000300600000000, 0.0000200800000000, -0.0000079600000000 ] - [ 0.0000546300000000, -0.0000666800000000, -0.0002174500000000 ] - [ -0.0000713700000000, 0.0000000000000000, -0.0000637800000000 ] - [ 0.0000281700000000, 0.0000008300000000, -0.0000033100000000 ] - [ -0.0000938200000000, 0.0000000000000000, -0.0006330200000000 ] - [ -0.0000831700000000, 0.0010613900000000, 0.0000863300000000 ] - [ 0.0000546300000000, 0.0000666800000000, -0.0002174500000000 ] - [ -0.0013932700000000, 0.0000000000000000, -0.0005402300000000 ] - [ -0.0006830400000000, 0.0000000000000000, 0.0005682700000000 ] - [ -0.0003517900000000, 0.0007961100000000, 0.0004127700000000 ]- atom: 143 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000629600000000, 0.0006890100000000, 0.0001154100000000 ] - [ -0.0001813900000000, 0.0003141800000000, -0.0008259100000000 ] - [ 0.0009714400000000, -0.0016825800000000, -0.0029364700000000 ] - [ 0.0000960400000000, -0.0000424400000000, -0.0005224100000000 ] - [ -0.0015044400000000, 0.0026057600000000, 0.0028035400000000 ] - [ -0.0011214600000000, 0.0003147500000000, -0.0006219200000000 ] - [ 0.0002881500000000, -0.0011285900000000, -0.0006219200000000 ] - [ -0.0015044400000000, -0.0026057600000000, 0.0028035400000000 ] - [ 0.0001323000000000, -0.0002291500000000, 0.0013947700000000 ] - [ 0.0008333100000000, 0.0008138400000000, -0.0006219200000000 ] - [ 0.0000960400000000, 0.0000424400000000, -0.0005224100000000 ] - [ 0.0002876900000000, -0.0000772900000000, 0.0008162800000000 ] - [ -0.0002253500000000, -0.0003309300000000, -0.0008513600000000 ] - [ 0.0028412300000000, -0.0009199100000000, 0.0027100800000000 ] - [ -0.0000769100000000, -0.0002878000000000, 0.0008162800000000 ] - [ -0.0001813900000000, -0.0003141800000000, -0.0008259100000000 ] - [ 0.0003627800000000, 0.0000000000000000, -0.0008259100000000 ] - [ -0.0000112700000000, 0.0001043900000000, -0.0005224100000000 ] - [ -0.0000413800000000, 0.0001893500000000, -0.0007196500000000 ] - [ -0.0002253500000000, 0.0003309300000000, -0.0008513600000000 ] - [ 0.0002881500000000, 0.0011285900000000, -0.0006219200000000 ] - [ 0.0001846700000000, 0.0000588400000000, -0.0007196500000000 ] - [ -0.0000629600000000, -0.0006890100000000, 0.0001154100000000 ] - [ -0.0019428800000000, 0.0000000000000000, -0.0029364700000000 ] - [ 0.0001865700000000, 0.0000000000000000, -0.0004233700000000 ] - [ -0.0001739200000000, -0.0003606200000000, -0.0008513600000000 ] - [ 0.0002125500000000, -0.0003681400000000, -0.0012809600000000 ] - [ -0.0022172800000000, 0.0020006200000000, 0.0027100800000000 ] - [ 0.0006281800000000, 0.0002899800000000, 0.0001154100000000 ] - [ 0.0028412300000000, 0.0009199100000000, 0.0027100800000000 ] - [ 0.0003318600000000, 0.0000000000000000, -0.0001824600000000 ] - [ 0.0030088800000000, 0.0000000000000000, 0.0028035400000000 ] - [ -0.0006239500000000, 0.0029205300000000, 0.0027100800000000 ] - [ -0.0006239500000000, -0.0029205300000000, 0.0027100800000000 ] - [ -0.0000769100000000, 0.0002878000000000, 0.0008162800000000 ] - [ -0.0000847700000000, 0.0000619500000000, -0.0005224100000000 ] - [ -0.0001659300000000, 0.0002874000000000, -0.0001824600000000 ] - [ 0.0002876900000000, 0.0000772900000000, 0.0008162800000000 ] - [ -0.0001659300000000, -0.0002874000000000, -0.0001824600000000 ] - [ 0.0001323000000000, 0.0002291500000000, 0.0013947700000000 ] - [ 0.0003992700000000, -0.0000296900000000, -0.0008513600000000 ] - [ -0.0000112700000000, -0.0001043900000000, -0.0005224100000000 ] - [ 0.0002125500000000, 0.0003681400000000, -0.0012809600000000 ] - [ -0.0011214600000000, -0.0003147500000000, -0.0006219200000000 ] - [ -0.0000413800000000, -0.0001893500000000, -0.0007196500000000 ] - [ 0.0006281800000000, -0.0002899800000000, 0.0001154100000000 ] - [ -0.0001739200000000, 0.0003606200000000, -0.0008513600000000 ] - [ -0.0001433000000000, -0.0001305100000000, -0.0007196500000000 ] - [ -0.0001433000000000, 0.0001305100000000, -0.0007196500000000 ] - [ -0.0004251000000000, 0.0000000000000000, -0.0012809600000000 ] - [ -0.0022172800000000, -0.0020006200000000, 0.0027100800000000 ] - [ -0.0005652200000000, 0.0003990300000000, 0.0001154100000000 ] - [ -0.0000847700000000, -0.0000619500000000, -0.0005224100000000 ] - [ -0.0002107900000000, -0.0002105000000000, 0.0008162800000000 ] - [ 0.0009714400000000, 0.0016825800000000, -0.0029364700000000 ] - [ 0.0001846700000000, -0.0000588400000000, -0.0007196500000000 ] - [ 0.0008333100000000, -0.0008138400000000, -0.0006219200000000 ] - [ -0.0005652200000000, -0.0003990300000000, 0.0001154100000000 ] - [ -0.0000932900000000, -0.0001615800000000, -0.0004233700000000 ] - [ -0.0000932900000000, 0.0001615800000000, -0.0004233700000000 ] - [ 0.0003992700000000, 0.0000296900000000, -0.0008513600000000 ] - [ -0.0002107900000000, 0.0002105000000000, 0.0008162800000000 ] - [ -0.0002646000000000, 0.0000000000000000, 0.0013947700000000 ] - [ -0.0012108900000000, 0.0020973200000000, -0.0012408500000000 ] - [ 0.0000877700000000, -0.0001520200000000, -0.0019713700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023013500000000 ] - [ -0.0001908500000000, -0.0003305600000000, -0.0021440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023013500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3379412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0086684300000000 ] - [ 0.0023812000000000, 0.0041243700000000, 0.0060964600000000 ] - [ -0.0047624100000000, 0.0000000000000000, 0.0060964600000000 ] - [ 0.0003816900000000, 0.0000000000000000, -0.0021440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004223900000000 ] - [ 0.0023812000000000, -0.0041243700000000, 0.0060964600000000 ] - [ 0.0024217800000000, 0.0000000000000000, -0.0012408500000000 ] - [ -0.0012108900000000, -0.0020973200000000, -0.0012408500000000 ] - [ -0.0001908500000000, 0.0003305600000000, -0.0021440400000000 ] - [ -0.0001755400000000, 0.0000000000000000, -0.0019713700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020611900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020611900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026839300000000 ] - [ 0.0000877700000000, 0.0001520200000000, -0.0019713700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001663600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020284700000000 ] - [ 0.0002305100000000, -0.0003992600000000, 0.0011839200000000 ] - [ 0.0000514200000000, -0.0000024300000000, 0.0010036700000000 ] - [ -0.0007257700000000, 0.0000000000000000, -0.0000017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009006300000000 ] - [ 0.0001165900000000, 0.0002877500000000, -0.0002649700000000 ] - [ 0.0000981100000000, 0.0001699300000000, 0.0005068600000000 ] - [ -0.0001962100000000, 0.0000000000000000, 0.0005068600000000 ] - [ -0.0003253300000000, -0.0001113500000000, 0.0005623600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016443200000000 ] - [ 0.0000900800000000, 0.0000000000000000, -0.0038955500000000 ] - [ -0.0018143500000000, 0.0004628500000000, 0.0009683400000000 ] - [ 0.0174665600000000, 0.0000000000000000, 0.0254717000000000 ] - [ -0.0006266200000000, -0.0000218500000000, 0.0001709500000000 ] - [ 0.0001165900000000, -0.0002877500000000, -0.0002649700000000 ] - [ 0.0001642800000000, 0.0002845300000000, 0.0010724500000000 ] - [ -0.0003074900000000, -0.0000429000000000, -0.0002649700000000 ] - [ 0.0003322300000000, 0.0005317400000000, 0.0001709500000000 ] - [ -0.0004610200000000, 0.0000000000000000, 0.0011839200000000 ] - [ 0.0030434400000000, 0.0006925600000000, -0.0016277800000000 ] - [ 0.0013080100000000, 0.0013398500000000, 0.0009683400000000 ] - [ 0.0001160900000000, -0.0002010800000000, 0.0036042200000000 ] - [ -0.0000111700000000, -0.0000193500000000, 0.0012023800000000 ] - [ 0.0000662300000000, -0.0003374100000000, 0.0005623600000000 ] - [ -0.0000450400000000, 0.0000780100000000, -0.0038955500000000 ] - [ -0.0000677600000000, 0.0001173600000000, 0.0005838800000000 ] - [ 0.0001642800000000, -0.0002845300000000, 0.0010724500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004101800000000 ] - [ 0.0005063400000000, 0.0018027000000000, 0.0009683400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020259600000000 ] - [ 0.0001355100000000, 0.0000000000000000, 0.0005838800000000 ] - [ 0.0002305100000000, 0.0003992600000000, 0.0011839200000000 ] - [ 0.0011606800000000, 0.0000000000000000, -0.0013310900000000 ] - [ 0.0001909000000000, -0.0002448500000000, -0.0002649700000000 ] - [ -0.0021214900000000, 0.0022894100000000, -0.0016277800000000 ] - [ -0.0009219400000000, 0.0029819700000000, -0.0016277800000000 ] - [ 0.0002590900000000, -0.0002260700000000, 0.0005623600000000 ] - [ 0.0003628800000000, 0.0006285300000000, -0.0000017900000000 ] - [ 0.0003140300000000, 0.0000000000000000, 0.0011265500000000 ] - [ 0.0000981100000000, -0.0001699300000000, 0.0005068600000000 ] - [ -0.0000570700000000, -0.0002731300000000, -0.0008801700000000 ] - [ -0.0003074900000000, 0.0000429000000000, -0.0002649700000000 ] - [ 0.0003628800000000, -0.0006285300000000, -0.0000017900000000 ] - [ -0.0000236100000000, 0.0000457400000000, 0.0010036700000000 ] - [ -0.0009219400000000, -0.0029819700000000, -0.0016277800000000 ] - [ -0.0003253300000000, 0.0001113500000000, 0.0005623600000000 ] - [ -0.0000236100000000, -0.0000457400000000, 0.0010036700000000 ] - [ -0.0087332800000000, 0.0151264800000000, 0.0254717000000000 ] - [ -0.0000111700000000, 0.0000193500000000, 0.0012023800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009006300000000 ] - [ 0.0000223400000000, 0.0000000000000000, 0.0012023800000000 ] - [ -0.0000570700000000, 0.0002731300000000, -0.0008801700000000 ] - [ 0.0002590900000000, 0.0002260700000000, 0.0005623600000000 ] - [ -0.0005803400000000, 0.0010051800000000, -0.0013310900000000 ] - [ 0.0002650700000000, 0.0000871400000000, -0.0008801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4255335600000000 ] - [ -0.0087332800000000, -0.0151264800000000, 0.0254717000000000 ] - [ -0.0002321800000000, 0.0000000000000000, 0.0036042200000000 ] - [ 0.0000514200000000, 0.0000024300000000, 0.0010036700000000 ] - [ 0.0005063400000000, -0.0018027000000000, 0.0009683400000000 ] - [ 0.0001160900000000, 0.0002010800000000, 0.0036042200000000 ] - [ -0.0005803400000000, -0.0010051800000000, -0.0013310900000000 ] - [ -0.0001570100000000, -0.0002719500000000, 0.0011265500000000 ] - [ -0.0003285500000000, 0.0000000000000000, 0.0010724500000000 ] - [ -0.0000677600000000, -0.0001173600000000, 0.0005838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020259600000000 ] - [ 0.0003322300000000, -0.0005317400000000, 0.0001709500000000 ] - [ 0.0002943800000000, 0.0005535900000000, 0.0001709500000000 ] - [ 0.0030434400000000, -0.0006925600000000, -0.0016277800000000 ] - [ 0.0001909000000000, 0.0002448500000000, -0.0002649700000000 ] - [ -0.0006266200000000, 0.0000218500000000, 0.0001709500000000 ] - [ 0.0000662300000000, 0.0003374100000000, 0.0005623600000000 ] - [ 0.0002943800000000, -0.0005535900000000, 0.0001709500000000 ] - [ -0.0002080000000000, -0.0001859900000000, -0.0008801700000000 ] - [ 0.0013080100000000, -0.0013398500000000, 0.0009683400000000 ] - [ -0.0002080000000000, 0.0001859900000000, -0.0008801700000000 ] - [ -0.0000450400000000, -0.0000780100000000, -0.0038955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039690400000000 ] - [ -0.0021214900000000, -0.0022894100000000, -0.0016277800000000 ] - [ -0.0000278100000000, 0.0000433200000000, 0.0010036700000000 ] - [ 0.0002650700000000, -0.0000871400000000, -0.0008801700000000 ] - [ -0.0018143500000000, -0.0004628500000000, 0.0009683400000000 ] - [ -0.0001570100000000, 0.0002719500000000, 0.0011265500000000 ] - [ -0.0000278100000000, -0.0000433200000000, 0.0010036700000000 ] - [ -0.0000099200000000, 0.0000171800000000, 0.0006536800000000 ] - [ -0.0010834500000000, -0.0018765800000000, -0.0000734500000000 ] - [ 0.0004872600000000, -0.0008439600000000, 0.0000903300000000 ] - [ -0.0003146100000000, 0.0000000000000000, -0.0024538300000000 ] - [ 0.0000374100000000, -0.0000648000000000, 0.0007443900000000 ] - [ 0.0004872600000000, 0.0008439600000000, 0.0000903300000000 ] - [ -0.0000748300000000, 0.0000000000000000, 0.0007443900000000 ] - [ 0.0001573000000000, 0.0002724600000000, -0.0024538300000000 ] - [ -0.0000099200000000, -0.0000171800000000, 0.0006536800000000 ] - [ -0.0002843300000000, -0.0004924700000000, 0.0002335000000000 ] - [ 0.0000198400000000, 0.0000000000000000, 0.0006536800000000 ] - [ 0.0000374100000000, 0.0000648000000000, 0.0007443900000000 ] - [ 0.0005686600000000, 0.0000000000000000, 0.0002335000000000 ] - [ 0.0001573000000000, -0.0002724600000000, -0.0024538300000000 ] - [ -0.0002843300000000, 0.0004924700000000, 0.0002335000000000 ] - [ 0.0021668900000000, 0.0000000000000000, -0.0000734500000000 ] - [ -0.0009745200000000, 0.0000000000000000, 0.0000903300000000 ] - [ -0.0010834500000000, 0.0018765800000000, -0.0000734500000000 ]- atom: 143 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001117500000000, -0.0002604600000000, 0.0003145700000000 ] - [ 0.0000565600000000, -0.0000979700000000, 0.0011624600000000 ] - [ -0.0010299200000000, 0.0017838700000000, 0.0032039900000000 ] - [ -0.0000720300000000, -0.0002442400000000, 0.0007659000000000 ] - [ 0.0011574500000000, -0.0020047700000000, -0.0033243300000000 ] - [ 0.0008999500000000, -0.0007065200000000, 0.0006071900000000 ] - [ 0.0001618900000000, 0.0011326400000000, 0.0006071900000000 ] - [ 0.0011574500000000, 0.0020047700000000, -0.0033243300000000 ] - [ -0.0002667400000000, 0.0004620100000000, -0.0012674700000000 ] - [ -0.0010618400000000, -0.0004261200000000, 0.0006071900000000 ] - [ -0.0000720300000000, 0.0002442400000000, 0.0007659000000000 ] - [ -0.0004146500000000, -0.0003514500000000, -0.0010714700000000 ] - [ 0.0000357500000000, -0.0000920600000000, 0.0002614000000000 ] - [ -0.0028068100000000, 0.0007630200000000, -0.0021858100000000 ] - [ 0.0005116900000000, 0.0001833800000000, -0.0010714700000000 ] - [ 0.0000565600000000, 0.0000979700000000, 0.0011624600000000 ] - [ -0.0001131200000000, 0.0000000000000000, 0.0011624600000000 ] - [ 0.0002475300000000, 0.0000597400000000, 0.0007659000000000 ] - [ 0.0000088000000000, 0.0001049100000000, 0.0008271100000000 ] - [ 0.0000357500000000, 0.0000920600000000, 0.0002614000000000 ] - [ 0.0001618900000000, -0.0011326400000000, 0.0006071900000000 ] - [ 0.0000864500000000, 0.0000600800000000, 0.0008271100000000 ] - [ 0.0001117500000000, 0.0002604600000000, 0.0003145700000000 ] - [ 0.0020598400000000, 0.0000000000000000, 0.0032039900000000 ] - [ 0.0000917200000000, 0.0000000000000000, 0.0010083800000000 ] - [ -0.0000976000000000, -0.0000150700000000, 0.0002614000000000 ] - [ -0.0003268300000000, 0.0005660800000000, 0.0009442000000000 ] - [ 0.0020642000000000, -0.0020492600000000, -0.0021858100000000 ] - [ -0.0002814400000000, -0.0000334500000000, 0.0003145700000000 ] - [ -0.0028068100000000, -0.0007630200000000, -0.0021858100000000 ] - [ 0.0004180300000000, 0.0000000000000000, 0.0002183600000000 ] - [ -0.0023149100000000, 0.0000000000000000, -0.0033243300000000 ] - [ 0.0007426100000000, -0.0028122800000000, -0.0021858100000000 ] - [ 0.0007426100000000, 0.0028122800000000, -0.0021858100000000 ] - [ 0.0005116900000000, -0.0001833800000000, -0.0010714700000000 ] - [ -0.0001755000000000, -0.0001845000000000, 0.0007659000000000 ] - [ -0.0002090200000000, 0.0003620300000000, 0.0002183600000000 ] - [ -0.0004146500000000, 0.0003514500000000, -0.0010714700000000 ] - [ -0.0002090200000000, -0.0003620300000000, 0.0002183600000000 ] - [ -0.0002667400000000, -0.0004620100000000, -0.0012674700000000 ] - [ 0.0000618500000000, 0.0000769900000000, 0.0002614000000000 ] - [ 0.0002475300000000, -0.0000597400000000, 0.0007659000000000 ] - [ -0.0003268300000000, -0.0005660800000000, 0.0009442000000000 ] - [ 0.0008999500000000, 0.0007065200000000, 0.0006071900000000 ] - [ 0.0000088000000000, -0.0001049100000000, 0.0008271100000000 ] - [ -0.0002814400000000, 0.0000334500000000, 0.0003145700000000 ] - [ -0.0000976000000000, 0.0000150700000000, 0.0002614000000000 ] - [ -0.0000952500000000, -0.0000448300000000, 0.0008271100000000 ] - [ -0.0000952500000000, 0.0000448300000000, 0.0008271100000000 ] - [ 0.0006536500000000, 0.0000000000000000, 0.0009442000000000 ] - [ 0.0020642000000000, 0.0020492600000000, -0.0021858100000000 ] - [ 0.0001696900000000, -0.0002270100000000, 0.0003145700000000 ] - [ -0.0001755000000000, 0.0001845000000000, 0.0007659000000000 ] - [ -0.0000970300000000, 0.0005348200000000, -0.0010714700000000 ] - [ -0.0010299200000000, -0.0017838700000000, 0.0032039900000000 ] - [ 0.0000864500000000, -0.0000600800000000, 0.0008271100000000 ] - [ -0.0010618400000000, 0.0004261200000000, 0.0006071900000000 ] - [ 0.0001696900000000, 0.0002270100000000, 0.0003145700000000 ] - [ -0.0000458600000000, -0.0000794300000000, 0.0010083800000000 ] - [ -0.0000458600000000, 0.0000794300000000, 0.0010083800000000 ] - [ 0.0000618500000000, -0.0000769900000000, 0.0002614000000000 ] - [ -0.0000970300000000, -0.0005348200000000, -0.0010714700000000 ] - [ 0.0005334800000000, 0.0000000000000000, -0.0012674700000000 ] - [ 0.0012574700000000, -0.0021780000000000, 0.0018263600000000 ] - [ -0.0001537000000000, 0.0002662100000000, 0.0021988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002642700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013050000000000 ] - [ 0.0004730100000000, 0.0008192900000000, 0.0020359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013050000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3132394400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0079944600000000 ] - [ -0.0021336400000000, -0.0036955700000000, -0.0065609300000000 ] - [ 0.0042672800000000, 0.0000000000000000, -0.0065609300000000 ] - [ -0.0009460300000000, 0.0000000000000000, 0.0020359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002642700000000 ] - [ -0.0021336400000000, 0.0036955700000000, -0.0065609300000000 ] - [ -0.0025149400000000, 0.0000000000000000, 0.0018263600000000 ] - [ 0.0012574700000000, 0.0021780000000000, 0.0018263600000000 ] - [ 0.0004730100000000, -0.0008192900000000, 0.0020359300000000 ] - [ 0.0003073900000000, 0.0000000000000000, 0.0021988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026441300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026441300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033788300000000 ] - [ -0.0001537000000000, -0.0002662100000000, 0.0021988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016973800000000 ] - [ -0.0001099600000000, 0.0001904600000000, -0.0009284000000000 ] - [ 0.0003705500000000, 0.0001839200000000, -0.0004577700000000 ] - [ 0.0013500000000000, 0.0000000000000000, 0.0004282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019618700000000 ] - [ 0.0000803900000000, -0.0000166000000000, -0.0003815700000000 ] - [ 0.0000538300000000, 0.0000932400000000, -0.0005947400000000 ] - [ -0.0001076600000000, 0.0000000000000000, -0.0005947400000000 ] - [ 0.0005919200000000, 0.0002530400000000, -0.0010556700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024691900000000 ] - [ 0.0000038500000000, 0.0000000000000000, 0.0043424200000000 ] - [ 0.0013064500000000, -0.0000802900000000, -0.0005862900000000 ] - [ -0.0158503000000000, 0.0000000000000000, -0.0241019800000000 ] - [ -0.0010360800000000, -0.0000256000000000, -0.0011432900000000 ] - [ 0.0000803900000000, 0.0000166000000000, -0.0003815700000000 ] - [ -0.0002524000000000, -0.0004371800000000, -0.0012726600000000 ] - [ -0.0000258200000000, 0.0000779200000000, -0.0003815700000000 ] - [ 0.0005402100000000, 0.0008844700000000, -0.0011432900000000 ] - [ 0.0002199200000000, 0.0000000000000000, -0.0009284000000000 ] - [ -0.0027563900000000, -0.0002358300000000, 0.0013789000000000 ] - [ -0.0007227600000000, -0.0010912700000000, -0.0005862900000000 ] - [ -0.0002444400000000, 0.0004233900000000, -0.0036036200000000 ] - [ -0.0001249700000000, -0.0002164600000000, -0.0015778100000000 ] - [ -0.0000768300000000, 0.0006391400000000, -0.0010556700000000 ] - [ -0.0000019300000000, 0.0000033400000000, 0.0043424200000000 ] - [ 0.0002954800000000, -0.0005117800000000, -0.0009231600000000 ] - [ -0.0002524000000000, 0.0004371800000000, -0.0012726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804300000000 ] - [ -0.0005836900000000, -0.0011715600000000, -0.0005862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003858200000000 ] - [ -0.0005909500000000, 0.0000000000000000, -0.0009231600000000 ] - [ -0.0001099600000000, -0.0001904600000000, -0.0009284000000000 ] - [ -0.0013664600000000, 0.0000000000000000, 0.0009906000000000 ] - [ -0.0000545700000000, -0.0000613200000000, -0.0003815700000000 ] - [ 0.0015824300000000, -0.0022691900000000, 0.0013789000000000 ] - [ 0.0011739600000000, -0.0025050100000000, 0.0013789000000000 ] - [ -0.0005151000000000, 0.0003861000000000, -0.0010556700000000 ] - [ -0.0006750000000000, -0.0011691400000000, 0.0004282400000000 ] - [ -0.0001846200000000, 0.0000000000000000, -0.0016245300000000 ] - [ 0.0000538300000000, -0.0000932400000000, -0.0005947400000000 ] - [ -0.0000256000000000, 0.0001203700000000, 0.0011895800000000 ] - [ -0.0000258200000000, -0.0000779200000000, -0.0003815700000000 ] - [ -0.0006750000000000, 0.0011691400000000, 0.0004282400000000 ] - [ -0.0003445500000000, 0.0002289400000000, -0.0004577700000000 ] - [ 0.0011739600000000, 0.0025050100000000, 0.0013789000000000 ] - [ 0.0005919200000000, -0.0002530400000000, -0.0010556700000000 ] - [ -0.0003445500000000, -0.0002289400000000, -0.0004577700000000 ] - [ 0.0079251500000000, -0.0137267600000000, -0.0241019800000000 ] - [ -0.0001249700000000, 0.0002164600000000, -0.0015778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019618700000000 ] - [ 0.0002499400000000, 0.0000000000000000, -0.0015778100000000 ] - [ -0.0000256000000000, -0.0001203700000000, 0.0011895800000000 ] - [ -0.0005151000000000, -0.0003861000000000, -0.0010556700000000 ] - [ 0.0006832300000000, -0.0011833900000000, 0.0009906000000000 ] - [ -0.0000914500000000, -0.0000823500000000, 0.0011895800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003804300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3993856900000000 ] - [ 0.0079251500000000, 0.0137267600000000, -0.0241019800000000 ] - [ 0.0004888900000000, 0.0000000000000000, -0.0036036200000000 ] - [ 0.0003705500000000, -0.0001839200000000, -0.0004577700000000 ] - [ -0.0005836900000000, 0.0011715600000000, -0.0005862900000000 ] - [ -0.0002444400000000, -0.0004233900000000, -0.0036036200000000 ] - [ 0.0006832300000000, 0.0011833900000000, 0.0009906000000000 ] - [ 0.0000923100000000, 0.0001598800000000, -0.0016245300000000 ] - [ 0.0005048100000000, 0.0000000000000000, -0.0012726600000000 ] - [ 0.0002954800000000, 0.0005117800000000, -0.0009231600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003858200000000 ] - [ 0.0005402100000000, -0.0008844700000000, -0.0011432900000000 ] - [ 0.0004958700000000, 0.0009100700000000, -0.0011432900000000 ] - [ -0.0027563900000000, 0.0002358300000000, 0.0013789000000000 ] - [ -0.0000545700000000, 0.0000613200000000, -0.0003815700000000 ] - [ -0.0010360800000000, 0.0000256000000000, -0.0011432900000000 ] - [ -0.0000768300000000, -0.0006391400000000, -0.0010556700000000 ] - [ 0.0004958700000000, -0.0009100700000000, -0.0011432900000000 ] - [ 0.0001170400000000, 0.0000380200000000, 0.0011895800000000 ] - [ -0.0007227600000000, 0.0010912700000000, -0.0005862900000000 ] - [ 0.0001170400000000, -0.0000380200000000, 0.0011895800000000 ] - [ -0.0000019300000000, -0.0000033400000000, 0.0043424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040501900000000 ] - [ 0.0015824300000000, 0.0022691900000000, 0.0013789000000000 ] - [ -0.0000259900000000, 0.0004128600000000, -0.0004577700000000 ] - [ -0.0000914500000000, 0.0000823500000000, 0.0011895800000000 ] - [ 0.0013064500000000, 0.0000802900000000, -0.0005862900000000 ] - [ 0.0000923100000000, -0.0001598800000000, -0.0016245300000000 ] - [ -0.0000259900000000, -0.0004128600000000, -0.0004577700000000 ] - [ 0.0000561000000000, -0.0000971700000000, -0.0007024400000000 ] - [ 0.0009581700000000, 0.0016596000000000, 0.0002686900000000 ] - [ -0.0004829500000000, 0.0008365000000000, 0.0000691600000000 ] - [ -0.0001533100000000, 0.0000000000000000, 0.0027762100000000 ] - [ -0.0000097600000000, 0.0000169000000000, -0.0007124300000000 ] - [ -0.0004829500000000, -0.0008365000000000, 0.0000691600000000 ] - [ 0.0000195100000000, 0.0000000000000000, -0.0007124300000000 ] - [ 0.0000766600000000, 0.0001327700000000, 0.0027762100000000 ] - [ 0.0000561000000000, 0.0000971700000000, -0.0007024400000000 ] - [ 0.0002950900000000, 0.0005111100000000, -0.0009377700000000 ] - [ -0.0001122100000000, 0.0000000000000000, -0.0007024400000000 ] - [ -0.0000097600000000, -0.0000169000000000, -0.0007124300000000 ] - [ -0.0005901700000000, 0.0000000000000000, -0.0009377700000000 ] - [ 0.0000766600000000, -0.0001327700000000, 0.0027762100000000 ] - [ 0.0002950900000000, -0.0005111100000000, -0.0009377700000000 ] - [ -0.0019163400000000, 0.0000000000000000, 0.0002686900000000 ] - [ 0.0009659100000000, 0.0000000000000000, 0.0000691600000000 ] - [ 0.0009581700000000, -0.0016596000000000, 0.0002686900000000 ]- atom: 165 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000333200000000, 0.0002006900000000, 0.0002129400000000 ] - [ -0.0000087800000000, 0.0001214800000000, 0.0002118600000000 ] - [ -0.0000069000000000, 0.0000532800000000, 0.0001433800000000 ] - [ -0.0000568700000000, -0.0001468600000000, 0.0001029500000000 ] - [ -0.0000135700000000, 0.0004969100000000, 0.0008975200000000 ] - [ -0.0015589000000000, 0.0008210200000000, 0.0006657500000000 ] - [ 0.0012433500000000, -0.0007510200000000, -0.0002672900000000 ] - [ -0.0000135700000000, -0.0004969100000000, 0.0008975200000000 ] - [ -0.0000982800000000, 0.0001984600000000, 0.0000650400000000 ] - [ -0.0018523900000000, -0.0017967800000000, -0.0004384600000000 ] - [ -0.0000568700000000, 0.0001468600000000, 0.0001029500000000 ] - [ -0.0004842900000000, -0.0004151200000000, -0.0003681200000000 ] - [ -0.0010292100000000, -0.0003132800000000, -0.0004396300000000 ] - [ 0.0000167100000000, -0.0000337600000000, 0.0003803200000000 ] - [ 0.0000288100000000, -0.0002445700000000, 0.0000080800000000 ] - [ -0.0000087800000000, -0.0001214800000000, 0.0002118600000000 ] - [ 0.0001624100000000, 0.0000000000000000, 0.0000974300000000 ] - [ 0.0001050700000000, 0.0001360500000000, 0.0001504600000000 ] - [ 0.0000244000000000, -0.0001230500000000, 0.0005079100000000 ] - [ -0.0010292100000000, 0.0003132800000000, -0.0004396300000000 ] - [ 0.0012433500000000, 0.0007510200000000, -0.0002672900000000 ] - [ 0.0004002000000000, -0.0000042700000000, 0.0000195000000000 ] - [ 0.0000333200000000, -0.0002006900000000, 0.0002129400000000 ] - [ 0.0000834600000000, 0.0000000000000000, 0.0001336900000000 ] - [ -0.0003241900000000, 0.0000000000000000, 0.0003799800000000 ] - [ -0.0000233900000000, 0.0000528000000000, -0.0002594400000000 ] - [ 0.0035016700000000, -0.0011404100000000, -0.0004716600000000 ] - [ -0.0000812400000000, 0.0000270600000000, 0.0000922000000000 ] - [ 0.0001547500000000, 0.0001112900000000, 0.0002180200000000 ] - [ 0.0000167100000000, 0.0000337600000000, 0.0003803200000000 ] - [ -0.0006505300000000, 0.0000000000000000, 0.0000211800000000 ] - [ -0.0000948800000000, 0.0000000000000000, -0.0024284800000000 ] - [ 0.0001510800000000, 0.0000372000000000, 0.0002881200000000 ] - [ 0.0001510800000000, -0.0000372000000000, 0.0002881200000000 ] - [ 0.0000288100000000, 0.0002445700000000, 0.0000080800000000 ] - [ -0.0001237300000000, -0.0000409400000000, 0.0001265100000000 ] - [ -0.0003568500000000, 0.0008203700000000, 0.0000134000000000 ] - [ -0.0004842900000000, 0.0004151200000000, -0.0003681200000000 ] - [ -0.0003568500000000, -0.0008203700000000, 0.0000134000000000 ] - [ -0.0000982800000000, -0.0001984600000000, 0.0000650400000000 ] - [ -0.0000599800000000, 0.0007606600000000, -0.0001906700000000 ] - [ 0.0001050700000000, -0.0001360500000000, 0.0001504600000000 ] - [ 0.0035016700000000, 0.0011404100000000, -0.0004716600000000 ] - [ -0.0015589000000000, -0.0008210200000000, 0.0006657500000000 ] - [ 0.0000244000000000, 0.0001230500000000, 0.0005079100000000 ] - [ 0.0001547500000000, -0.0001112900000000, 0.0002180200000000 ] - [ -0.0000233900000000, -0.0000528000000000, -0.0002594400000000 ] - [ -0.0002479100000000, 0.0000041000000000, -0.0003509900000000 ] - [ -0.0002479100000000, -0.0000041000000000, -0.0003509900000000 ] - [ 0.0055635500000000, 0.0000000000000000, 0.0002792200000000 ] - [ -0.0000812400000000, -0.0000270600000000, 0.0000922000000000 ] - [ -0.0002244000000000, 0.0000992400000000, 0.0002155100000000 ] - [ -0.0001237300000000, 0.0000409400000000, 0.0001265100000000 ] - [ -0.0001165800000000, -0.0000438100000000, -0.0000223400000000 ] - [ -0.0000069000000000, -0.0000532800000000, 0.0001433800000000 ] - [ 0.0004002000000000, 0.0000042700000000, 0.0000195000000000 ] - [ -0.0018523900000000, 0.0017967800000000, -0.0004384600000000 ] - [ -0.0002244000000000, -0.0000992400000000, 0.0002155100000000 ] - [ -0.0001546100000000, -0.0003380900000000, 0.0002520900000000 ] - [ -0.0001546100000000, 0.0003380900000000, 0.0002520900000000 ] - [ -0.0000599800000000, -0.0007606600000000, -0.0001906700000000 ] - [ -0.0001165800000000, 0.0000438100000000, -0.0000223400000000 ] - [ -0.0000344800000000, 0.0000000000000000, 0.0000465500000000 ] - [ 0.0000587900000000, 0.0000093600000000, 0.0002919800000000 ] - [ 0.0000342000000000, 0.0001576600000000, 0.0000281100000000 ] - [ -0.0010716600000000, 0.0000879400000000, 0.0000763300000000 ] - [ -0.0003736300000000, 0.0000289400000000, -0.0004937300000000 ] - [ 0.0012440100000000, -0.0029043700000000, -0.0012171600000000 ] - [ -0.0003736300000000, -0.0000289400000000, -0.0004937300000000 ] - [ 0.0002805000000000, 0.0000000000000000, 0.0004599700000000 ] - [ 0.0873908800000000, 0.0000000000000000, -0.0012431100000000 ] - [ 0.0016897400000000, -0.0014614000000000, -0.0006145800000000 ] - [ -0.0015600800000000, 0.0000000000000000, 0.0005358000000000 ] - [ -0.0046597800000000, 0.0000000000000000, 0.0022759100000000 ] - [ -0.0010716600000000, -0.0000879400000000, 0.0000763300000000 ] - [ 0.0016897400000000, 0.0014614000000000, -0.0006145800000000 ] - [ -0.0001180200000000, 0.0000000000000000, 0.0003160700000000 ] - [ 0.0000587900000000, -0.0000093600000000, 0.0002919800000000 ] - [ 0.0012440100000000, 0.0029043700000000, -0.0012171600000000 ] - [ -0.0000423000000000, 0.0000000000000000, 0.0003114800000000 ] - [ -0.0001757700000000, 0.0001031700000000, -0.0002933100000000 ] - [ -0.0001757700000000, -0.0001031700000000, -0.0002933100000000 ] - [ 0.0031822800000000, 0.0000000000000000, 0.0003715600000000 ] - [ 0.0000342000000000, -0.0001576600000000, 0.0000281100000000 ] - [ 0.0000149500000000, -0.0000082800000000, -0.0001210600000000 ] - [ 0.0000149500000000, 0.0000082800000000, -0.0001210600000000 ] - [ -0.0000240600000000, 0.0000000000000000, 0.0001620800000000 ] - [ -0.0009539700000000, 0.0001613100000000, -0.0004998600000000 ] - [ 0.0001850400000000, 0.0000254900000000, 0.0003533000000000 ] - [ 0.0003652900000000, 0.0000000000000000, 0.0002060600000000 ] - [ 0.0000334300000000, -0.0000254100000000, 0.0005309400000000 ] - [ 0.0002988100000000, 0.0002030800000000, -0.0003819300000000 ] - [ 0.0001566100000000, 0.0012846900000000, -0.0001330700000000 ] - [ 0.0019364100000000, 0.0000000000000000, 0.0001343700000000 ] - [ 0.0026286000000000, 0.0001417000000000, -0.0014457600000000 ] - [ -0.0005605000000000, 0.0000000000000000, -0.0004212000000000 ] - [ 0.0002616700000000, 0.0000000000000000, -0.0001795700000000 ] - [ -0.0002351000000000, 0.0001839800000000, 0.0001633300000000 ] - [ 0.0002924900000000, 0.0000000000000000, 0.0003768100000000 ] - [ -0.0006154200000000, 0.0000860300000000, -0.0004893300000000 ] - [ 0.0002988100000000, -0.0002030800000000, -0.0003819300000000 ] - [ -0.0000573300000000, -0.0000575900000000, -0.0001071000000000 ] - [ 0.0004940000000000, 0.0002880200000000, -0.0001716900000000 ] - [ 0.0006421300000000, 0.0007631000000000, -0.0004602600000000 ] - [ -0.0015919700000000, 0.0000000000000000, 0.0013610500000000 ] - [ 0.0007297900000000, 0.0004107900000000, -0.0006043100000000 ] - [ 0.0002615200000000, 0.0001279800000000, 0.0001865600000000 ] - [ -0.0110495100000000, -0.0089058500000000, -0.0219936200000000 ] - [ -0.0002746800000000, 0.0003702000000000, 0.0004872700000000 ] - [ 0.0001997000000000, -0.0022732600000000, 0.0006871900000000 ] - [ -0.0003107900000000, -0.0002554500000000, 0.0004261300000000 ] - [ 0.0001160600000000, -0.0002434200000000, -0.0001391000000000 ] - [ -0.0000573300000000, 0.0000575900000000, -0.0001071000000000 ] - [ 0.0002400300000000, 0.0000088800000000, -0.0000108300000000 ] - [ -0.0000555200000000, 0.0003413600000000, 0.0002038800000000 ] - [ 0.0002140300000000, 0.0000942100000000, 0.0008173800000000 ] - [ -0.0001437500000000, 0.0000000000000000, -0.0002279200000000 ] - [ -0.0009539700000000, -0.0001613100000000, -0.0004998600000000 ] - [ 0.0007075600000000, 0.0000000000000000, -0.0001328800000000 ] - [ 0.0006763700000000, -0.0003845900000000, -0.0004138900000000 ] - [ -0.0011825100000000, -0.0000059700000000, -0.0004205600000000 ] - [ -0.0002083600000000, -0.0011501300000000, 0.0006468000000000 ] - [ -0.0008273100000000, -0.0006381400000000, 0.0000143000000000 ] - [ -0.0001525100000000, -0.0002430600000000, 0.0002112500000000 ] - [ 0.0000896200000000, 0.0000000000000000, -0.0003439800000000 ] - [ 0.0001566100000000, -0.0012846900000000, -0.0001330700000000 ] - [ 0.0000757200000000, 0.0000058400000000, 0.0002049400000000 ] - [ 0.0004940000000000, -0.0002880200000000, -0.0001716900000000 ] - [ -0.0001525100000000, 0.0002430600000000, 0.0002112500000000 ] - [ -0.0002310300000000, 0.0001472000000000, 0.0002990100000000 ] - [ -0.0002083600000000, 0.0011501300000000, 0.0006468000000000 ] - [ 0.0026286000000000, -0.0001417000000000, -0.0014457600000000 ] - [ -0.0002310300000000, -0.0001472000000000, 0.0002990100000000 ] - [ -0.0003825900000000, 0.0005675000000000, 0.0004088600000000 ] - [ -0.0002746800000000, -0.0003702000000000, 0.0004872700000000 ] - [ 0.0000334300000000, 0.0000254100000000, 0.0005309400000000 ] - [ 0.0007786700000000, 0.0000000000000000, -0.0015378900000000 ] - [ 0.0000757200000000, -0.0000058400000000, 0.0002049400000000 ] - [ -0.0008273100000000, 0.0006381400000000, 0.0000143000000000 ] - [ -0.0000929400000000, -0.0006414500000000, -0.0001849700000000 ] - [ 0.0001969800000000, -0.0000182200000000, 0.0001087500000000 ] - [ 0.0002400300000000, -0.0000088800000000, -0.0000108300000000 ] - [ -0.0005460100000000, 0.0000000000000000, -0.0004509300000000 ] - [ -0.0003825900000000, -0.0005675000000000, 0.0004088600000000 ] - [ 0.0048689300000000, 0.0000000000000000, 0.0442973600000000 ] - [ 0.0001850400000000, -0.0000254900000000, 0.0003533000000000 ] - [ -0.0000555200000000, -0.0003413600000000, 0.0002038800000000 ] - [ -0.0110495100000000, 0.0089058500000000, -0.0219936200000000 ] - [ -0.0000929400000000, 0.0006414500000000, -0.0001849700000000 ] - [ -0.0000444700000000, -0.0000335200000000, -0.0002115800000000 ] - [ 0.0001109000000000, 0.0000000000000000, -0.0000993500000000 ] - [ 0.0001160600000000, 0.0002434200000000, -0.0001391000000000 ] - [ 0.0002140300000000, -0.0000942100000000, 0.0008173800000000 ] - [ 0.0006421300000000, -0.0007631000000000, -0.0004602600000000 ] - [ 0.0004619800000000, 0.0007656400000000, -0.0005045800000000 ] - [ 0.0007297900000000, -0.0004107900000000, -0.0006043100000000 ] - [ 0.0006763700000000, 0.0003845900000000, -0.0004138900000000 ] - [ -0.0006154200000000, -0.0000860300000000, -0.0004893300000000 ] - [ 0.0001997000000000, 0.0022732600000000, 0.0006871900000000 ] - [ 0.0004619800000000, -0.0007656400000000, -0.0005045800000000 ] - [ -0.0000195100000000, -0.0001095600000000, 0.0001516100000000 ] - [ 0.0002615200000000, -0.0001279800000000, 0.0001865600000000 ] - [ -0.0000195100000000, 0.0001095600000000, 0.0001516100000000 ] - [ -0.0003107900000000, 0.0002554500000000, 0.0004261300000000 ] - [ -0.0839806000000000, 0.0000000000000000, 0.0007180300000000 ] - [ -0.0011825100000000, 0.0000059700000000, -0.0004205600000000 ] - [ 0.0000003000000000, 0.0002363500000000, 0.0001680900000000 ] - [ 0.0001969800000000, 0.0000182200000000, 0.0001087500000000 ] - [ -0.0002351000000000, -0.0001839800000000, 0.0001633300000000 ] - [ -0.0000444700000000, 0.0000335200000000, -0.0002115800000000 ] - [ 0.0000003000000000, -0.0002363500000000, 0.0001680900000000 ] - [ -0.0000420400000000, -0.0006046800000000, -0.0003009200000000 ] - [ -0.0000659000000000, -0.0000825400000000, 0.0000606900000000 ] - [ 0.0003046400000000, -0.0007559500000000, -0.0001509200000000 ] - [ 0.0000583500000000, 0.0000000000000000, 0.0005578500000000 ] - [ -0.0000151100000000, -0.0000966000000000, -0.0000600200000000 ] - [ 0.0003046400000000, 0.0007559500000000, -0.0001509200000000 ] - [ 0.0000683400000000, 0.0000000000000000, 0.0001707600000000 ] - [ 0.0001249000000000, 0.0003645900000000, -0.0000323700000000 ] - [ -0.0000420400000000, 0.0006046800000000, -0.0003009200000000 ] - [ -0.0001380900000000, 0.0013733400000000, -0.0001802100000000 ] - [ 0.0008607400000000, 0.0000000000000000, 0.0005300600000000 ] - [ -0.0000151100000000, 0.0000966000000000, -0.0000600200000000 ] - [ 0.0022042300000000, 0.0000000000000000, -0.0006850200000000 ] - [ 0.0001249000000000, -0.0003645900000000, -0.0000323700000000 ] - [ -0.0001380900000000, -0.0013733400000000, -0.0001802100000000 ] - [ 0.0001430700000000, 0.0000000000000000, 0.0001590600000000 ] - [ 0.0015857000000000, 0.0000000000000000, 0.0005421400000000 ] - [ -0.0000659000000000, 0.0000825400000000, 0.0000606900000000 ]- atom: 165 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000205500000000, 0.0002257600000000, 0.0002193400000000 ] - [ -0.0001093700000000, 0.0000988000000000, 0.0001339100000000 ] - [ -0.0000513300000000, 0.0000553700000000, 0.0001361900000000 ] - [ 0.0000713000000000, -0.0001378600000000, 0.0001499500000000 ] - [ -0.0002415900000000, -0.0000409600000000, -0.0013171500000000 ] - [ 0.0013236600000000, -0.0012120200000000, -0.0006976200000000 ] - [ -0.0007846600000000, 0.0007404500000000, 0.0002439200000000 ] - [ -0.0002415900000000, 0.0000409600000000, -0.0013171500000000 ] - [ -0.0000317900000000, 0.0000387700000000, 0.0000543800000000 ] - [ 0.0016287400000000, 0.0021867500000000, 0.0004145600000000 ] - [ 0.0000713000000000, 0.0001378600000000, 0.0001499500000000 ] - [ 0.0003522100000000, -0.0000150000000000, 0.0001131900000000 ] - [ 0.0008335600000000, -0.0001039400000000, -0.0001532400000000 ] - [ 0.0000062700000000, -0.0001227400000000, 0.0001279500000000 ] - [ 0.0003996800000000, 0.0001376700000000, -0.0002658800000000 ] - [ -0.0001093700000000, -0.0000988000000000, 0.0001339100000000 ] - [ 0.0000949200000000, 0.0000000000000000, 0.0002464100000000 ] - [ 0.0001359100000000, 0.0000338200000000, 0.0000996700000000 ] - [ -0.0000574200000000, 0.0004165200000000, -0.0003952400000000 ] - [ 0.0008335600000000, 0.0001039400000000, -0.0001532400000000 ] - [ -0.0007846600000000, -0.0007404500000000, 0.0002439200000000 ] - [ -0.0001336100000000, 0.0001178200000000, 0.0000964300000000 ] - [ 0.0000205500000000, -0.0002257600000000, 0.0002193400000000 ] - [ 0.0000330500000000, 0.0000000000000000, 0.0001491300000000 ] - [ 0.0006021400000000, 0.0000000000000000, 0.0002095100000000 ] - [ -0.0002475400000000, -0.0004247300000000, -0.0003325000000000 ] - [ -0.0036078200000000, 0.0012637500000000, 0.0000804000000000 ] - [ -0.0000730200000000, -0.0000827900000000, 0.0004142500000000 ] - [ 0.0001836600000000, 0.0001417800000000, 0.0002146200000000 ] - [ 0.0000062700000000, 0.0001227400000000, 0.0001279500000000 ] - [ 0.0013994600000000, 0.0000000000000000, 0.0000113900000000 ] - [ 0.0006119900000000, 0.0000000000000000, 0.0019992500000000 ] - [ -0.0000211900000000, 0.0000624200000000, 0.0002171300000000 ] - [ -0.0000211900000000, -0.0000624200000000, 0.0002171300000000 ] - [ 0.0003996800000000, -0.0001376700000000, -0.0002658800000000 ] - [ -0.0001383000000000, -0.0000778300000000, 0.0001263900000000 ] - [ -0.0000244400000000, -0.0001717200000000, 0.0000192900000000 ] - [ 0.0003522100000000, 0.0000150000000000, 0.0001131900000000 ] - [ -0.0000244400000000, 0.0001717200000000, 0.0000192900000000 ] - [ -0.0000317900000000, -0.0000387700000000, 0.0000543800000000 ] - [ 0.0005264000000000, -0.0007028400000000, -0.0004016200000000 ] - [ 0.0001359100000000, -0.0000338200000000, 0.0000996700000000 ] - [ -0.0036078200000000, -0.0012637500000000, 0.0000804000000000 ] - [ 0.0013236600000000, 0.0012120200000000, -0.0006976200000000 ] - [ -0.0000574200000000, -0.0004165200000000, -0.0003952400000000 ] - [ 0.0001836600000000, -0.0001417800000000, 0.0002146200000000 ] - [ -0.0002475400000000, 0.0004247300000000, -0.0003325000000000 ] - [ 0.0000134300000000, -0.0001821900000000, 0.0004651300000000 ] - [ 0.0000134300000000, 0.0001821900000000, 0.0004651300000000 ] - [ -0.0057249900000000, 0.0000000000000000, -0.0008236900000000 ] - [ -0.0000730200000000, 0.0000827900000000, 0.0004142500000000 ] - [ -0.0001706000000000, 0.0000696800000000, 0.0002159000000000 ] - [ -0.0001383000000000, 0.0000778300000000, 0.0001263900000000 ] - [ -0.0001900700000000, 0.0003678100000000, -0.0002311900000000 ] - [ -0.0000513300000000, -0.0000553700000000, 0.0001361900000000 ] - [ -0.0001336100000000, -0.0001178200000000, 0.0000964300000000 ] - [ 0.0016287400000000, -0.0021867500000000, 0.0004145600000000 ] - [ -0.0001706000000000, -0.0000696800000000, 0.0002159000000000 ] - [ 0.0000190400000000, 0.0000954300000000, 0.0003348500000000 ] - [ 0.0000190400000000, -0.0000954300000000, 0.0003348500000000 ] - [ 0.0005264000000000, 0.0007028400000000, -0.0004016200000000 ] - [ -0.0001900700000000, -0.0003678100000000, -0.0002311900000000 ] - [ 0.0003100600000000, 0.0000000000000000, 0.0000704000000000 ] - [ -0.0000049200000000, -0.0001030500000000, 0.0003087500000000 ] - [ -0.0001012800000000, -0.0000447100000000, 0.0002181000000000 ] - [ 0.0010698900000000, -0.0000952800000000, 0.0000759500000000 ] - [ 0.0003737200000000, -0.0000279500000000, -0.0004935600000000 ] - [ -0.0009684900000000, 0.0034159500000000, 0.0011098300000000 ] - [ 0.0003737200000000, 0.0000279500000000, -0.0004935600000000 ] - [ -0.0002787700000000, 0.0000000000000000, 0.0004603300000000 ] - [ -0.0874430100000000, 0.0000000000000000, -0.0012438300000000 ] - [ -0.0014466000000000, 0.0018716300000000, 0.0001518000000000 ] - [ 0.0010768400000000, 0.0000000000000000, -0.0009978900000000 ] - [ 0.0040744200000000, 0.0000000000000000, -0.0023758300000000 ] - [ 0.0010698900000000, 0.0000952800000000, 0.0000759500000000 ] - [ -0.0014466000000000, -0.0018716300000000, 0.0001518000000000 ] - [ 0.0000135800000000, 0.0000000000000000, 0.0002819800000000 ] - [ -0.0000049200000000, 0.0001030500000000, 0.0003087500000000 ] - [ -0.0009684900000000, -0.0034159500000000, 0.0011098300000000 ] - [ 0.0001729500000000, 0.0000000000000000, -0.0000665900000000 ] - [ 0.0001753200000000, -0.0001120800000000, -0.0002937500000000 ] - [ 0.0001753200000000, 0.0001120800000000, -0.0002937500000000 ] - [ -0.0031898800000000, 0.0000000000000000, 0.0003724900000000 ] - [ -0.0001012800000000, 0.0000447100000000, 0.0002181000000000 ] - [ -0.0000171100000000, 0.0000077900000000, -0.0001212300000000 ] - [ -0.0000171100000000, -0.0000077900000000, -0.0001212300000000 ] - [ 0.0000262100000000, 0.0000000000000000, 0.0001619400000000 ] - [ 0.0010774700000000, -0.0003682600000000, 0.0007423100000000 ] - [ 0.0002422400000000, 0.0001597800000000, 0.0001933400000000 ] - [ 0.0002610300000000, 0.0000000000000000, 0.0002134100000000 ] - [ -0.0000338600000000, 0.0000255100000000, 0.0005308100000000 ] - [ -0.0000997500000000, 0.0000732100000000, -0.0002640300000000 ] - [ -0.0000014400000000, -0.0010300000000000, 0.0000456400000000 ] - [ -0.0022300300000000, 0.0000000000000000, -0.0002219000000000 ] - [ -0.0023433500000000, -0.0000021200000000, 0.0009458800000000 ] - [ 0.0005598800000000, 0.0000000000000000, -0.0004212000000000 ] - [ -0.0001759300000000, 0.0000000000000000, 0.0006261400000000 ] - [ -0.0002653400000000, 0.0001987600000000, 0.0002068300000000 ] - [ 0.0008137700000000, 0.0000000000000000, 0.0004199800000000 ] - [ -0.0010478200000000, -0.0001328100000000, -0.0004801700000000 ] - [ -0.0000997500000000, -0.0000732100000000, -0.0002640300000000 ] - [ -0.0000360500000000, -0.0000965400000000, -0.0001029400000000 ] - [ -0.0008278400000000, -0.0002514600000000, -0.0004726200000000 ] - [ 0.0002262300000000, 0.0006506700000000, -0.0005097300000000 ] - [ 0.0013558000000000, 0.0000000000000000, -0.0011229900000000 ] - [ -0.0004484600000000, 0.0000400900000000, 0.0003512100000000 ] - [ 0.0003152200000000, 0.0001117200000000, 0.0001841700000000 ] - [ 0.0110538500000000, 0.0092348300000000, 0.0220138300000000 ] - [ 0.0001432100000000, -0.0006105300000000, -0.0008623100000000 ] - [ -0.0002106400000000, 0.0025951600000000, -0.0011836300000000 ] - [ 0.0002643800000000, 0.0003293900000000, 0.0000236100000000 ] - [ 0.0001136200000000, -0.0001502700000000, -0.0001995300000000 ] - [ -0.0000360500000000, 0.0000965400000000, -0.0001029400000000 ] - [ -0.0002379300000000, -0.0000097200000000, -0.0000115200000000 ] - [ -0.0000188200000000, 0.0002732300000000, 0.0001666600000000 ] - [ -0.0002165700000000, -0.0000932500000000, 0.0008179700000000 ] - [ -0.0003113600000000, 0.0000000000000000, -0.0001101100000000 ] - [ 0.0010774700000000, 0.0003682600000000, 0.0007423100000000 ] - [ -0.0009140200000000, 0.0000000000000000, -0.0002015700000000 ] - [ -0.0005397500000000, 0.0000822200000000, -0.0002293000000000 ] - [ 0.0006413200000000, 0.0000221000000000, 0.0001679700000000 ] - [ 0.0004600700000000, 0.0016214300000000, -0.0008971000000000 ] - [ 0.0005738800000000, 0.0008059500000000, -0.0005054900000000 ] - [ -0.0001635300000000, -0.0002995900000000, 0.0002095000000000 ] - [ 0.0000419300000000, 0.0000000000000000, -0.0001663500000000 ] - [ -0.0000014400000000, 0.0010300000000000, 0.0000456400000000 ] - [ -0.0001600800000000, -0.0001608000000000, 0.0001046900000000 ] - [ -0.0008278400000000, 0.0002514600000000, -0.0004726200000000 ] - [ -0.0001635300000000, 0.0002995900000000, 0.0002095000000000 ] - [ -0.0001358000000000, 0.0001258500000000, 0.0002467200000000 ] - [ 0.0004600700000000, -0.0016214300000000, -0.0008971000000000 ] - [ -0.0023433500000000, 0.0000021200000000, 0.0009458800000000 ] - [ -0.0001358000000000, -0.0001258500000000, 0.0002467200000000 ] - [ -0.0001684600000000, 0.0003915200000000, 0.0003884500000000 ] - [ 0.0001432100000000, 0.0006105300000000, -0.0008623100000000 ] - [ -0.0000338600000000, -0.0000255100000000, 0.0005308100000000 ] - [ -0.0005017500000000, 0.0000000000000000, 0.0011611200000000 ] - [ -0.0001600800000000, 0.0001608000000000, 0.0001046900000000 ] - [ 0.0005738800000000, -0.0008059500000000, -0.0005054900000000 ] - [ 0.0001920900000000, 0.0004590700000000, -0.0001505800000000 ] - [ -0.0000235700000000, 0.0000217500000000, 0.0002014800000000 ] - [ -0.0002379300000000, 0.0000097200000000, -0.0000115200000000 ] - [ 0.0005452600000000, 0.0000000000000000, -0.0004511400000000 ] - [ -0.0001684600000000, -0.0003915200000000, 0.0003884500000000 ] - [ -0.0044509200000000, 0.0000000000000000, -0.0437228800000000 ] - [ 0.0002422400000000, -0.0001597800000000, 0.0001933400000000 ] - [ -0.0000188200000000, -0.0002732300000000, 0.0001666600000000 ] - [ 0.0110538500000000, -0.0092348300000000, 0.0220138300000000 ] - [ 0.0001920900000000, -0.0004590700000000, -0.0001505800000000 ] - [ -0.0000159000000000, -0.0000774900000000, -0.0002983100000000 ] - [ 0.0000644800000000, 0.0000000000000000, -0.0001113200000000 ] - [ 0.0001136200000000, 0.0001502700000000, -0.0001995300000000 ] - [ -0.0002165700000000, 0.0000932500000000, 0.0008179700000000 ] - [ 0.0002262300000000, -0.0006506700000000, -0.0005097300000000 ] - [ 0.0003253200000000, 0.0006989300000000, -0.0004651600000000 ] - [ -0.0004484600000000, -0.0000400900000000, 0.0003512100000000 ] - [ -0.0005397500000000, -0.0000822200000000, -0.0002293000000000 ] - [ -0.0010478200000000, 0.0001328100000000, -0.0004801700000000 ] - [ -0.0002106400000000, -0.0025951600000000, -0.0011836300000000 ] - [ 0.0003253200000000, -0.0006989300000000, -0.0004651600000000 ] - [ -0.0000683000000000, -0.0000326400000000, 0.0001606500000000 ] - [ 0.0003152200000000, -0.0001117200000000, 0.0001841700000000 ] - [ -0.0000683000000000, 0.0000326400000000, 0.0001606500000000 ] - [ 0.0002643800000000, -0.0003293900000000, 0.0000236100000000 ] - [ 0.0839942800000000, 0.0000000000000000, 0.0007296300000000 ] - [ 0.0006413200000000, -0.0000221000000000, 0.0001679700000000 ] - [ -0.0000562200000000, 0.0002160700000000, 0.0003774200000000 ] - [ -0.0000235700000000, -0.0000217500000000, 0.0002014800000000 ] - [ -0.0002653400000000, -0.0001987600000000, 0.0002068300000000 ] - [ -0.0000159000000000, 0.0000774900000000, -0.0002983100000000 ] - [ -0.0000562200000000, -0.0002160700000000, 0.0003774200000000 ] - [ 0.0000857700000000, 0.0005217200000000, 0.0002525400000000 ] - [ -0.0000498100000000, -0.0001204900000000, 0.0001283500000000 ] - [ -0.0003008000000000, 0.0007375700000000, 0.0003110500000000 ] - [ -0.0005191700000000, 0.0000000000000000, -0.0002260500000000 ] - [ 0.0000425100000000, 0.0000483500000000, 0.0000928800000000 ] - [ -0.0003008000000000, -0.0007375700000000, 0.0003110500000000 ] - [ -0.0001252800000000, 0.0000000000000000, -0.0001379600000000 ] - [ 0.0001107200000000, 0.0000386000000000, 0.0003615500000000 ] - [ 0.0000857700000000, -0.0005217200000000, 0.0002525400000000 ] - [ 0.0001505300000000, -0.0013538000000000, -0.0005180900000000 ] - [ -0.0009636500000000, 0.0000000000000000, -0.0005794400000000 ] - [ 0.0000425100000000, -0.0000483500000000, 0.0000928800000000 ] - [ -0.0022313700000000, 0.0000000000000000, -0.0000092100000000 ] - [ 0.0001107200000000, -0.0000386000000000, 0.0003615500000000 ] - [ 0.0001505300000000, 0.0013538000000000, -0.0005180900000000 ] - [ 0.0000940000000000, 0.0000000000000000, 0.0000296800000000 ] - [ -0.0016070500000000, 0.0000000000000000, -0.0003806500000000 ] - [ -0.0000498100000000, 0.0001204900000000, 0.0001283500000000 ]- atom: 165 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000593800000000, 0.0001578100000000, -0.0004593700000000 ] - [ 0.0001963200000000, -0.0003400300000000, -0.0009886200000000 ] - [ -0.0000051500000000, 0.0000089100000000, -0.0007391200000000 ] - [ -0.0000739000000000, -0.0001943200000000, -0.0004546700000000 ] - [ 0.0008532100000000, -0.0014778000000000, -0.0033746500000000 ] - [ 0.0024424700000000, -0.0009042400000000, 0.0026561700000000 ] - [ -0.0004381500000000, 0.0025673600000000, 0.0026561700000000 ] - [ 0.0008532100000000, 0.0014778000000000, -0.0033746500000000 ] - [ -0.0000798700000000, 0.0001383300000000, -0.0005734100000000 ] - [ -0.0020043300000000, -0.0016631300000000, 0.0026561700000000 ] - [ -0.0000739000000000, 0.0001943200000000, -0.0004546700000000 ] - [ -0.0004730800000000, -0.0005635000000000, -0.0002060200000000 ] - [ -0.0004322500000000, -0.0004140800000000, 0.0006873700000000 ] - [ 0.0002352100000000, -0.0002453300000000, -0.0005101200000000 ] - [ 0.0007245400000000, 0.0001279500000000, -0.0002060200000000 ] - [ 0.0001963200000000, 0.0003400300000000, -0.0009886200000000 ] - [ -0.0003926300000000, 0.0000000000000000, -0.0009886200000000 ] - [ 0.0002052300000000, 0.0000331600000000, -0.0004546700000000 ] - [ 0.0010001300000000, 0.0006335100000000, -0.0005729800000000 ] - [ -0.0004322500000000, 0.0004140800000000, 0.0006873700000000 ] - [ -0.0004381500000000, -0.0025673600000000, 0.0026561700000000 ] - [ 0.0000485600000000, 0.0011829000000000, -0.0005729800000000 ] - [ 0.0000593800000000, -0.0001578100000000, -0.0004593700000000 ] - [ 0.0000102900000000, 0.0000000000000000, -0.0007391200000000 ] - [ 0.0000332700000000, 0.0000000000000000, 0.0000037900000000 ] - [ -0.0001424800000000, -0.0005813800000000, 0.0006873700000000 ] - [ 0.0012052400000000, -0.0020875300000000, 0.0026406800000000 ] - [ -0.0003300700000000, 0.0000810300000000, -0.0005101200000000 ] - [ 0.0001069700000000, 0.0001303300000000, -0.0004593700000000 ] - [ 0.0002352100000000, 0.0002453300000000, -0.0005101200000000 ] - [ 0.0002658300000000, 0.0000000000000000, 0.0013491800000000 ] - [ -0.0017064100000000, 0.0000000000000000, -0.0033746500000000 ] - [ 0.0000948600000000, 0.0003263600000000, -0.0005101200000000 ] - [ 0.0000948600000000, -0.0003263600000000, -0.0005101200000000 ] - [ 0.0007245400000000, -0.0001279500000000, -0.0002060200000000 ] - [ -0.0001313300000000, -0.0001611600000000, -0.0004546700000000 ] - [ -0.0001329200000000, 0.0002302200000000, 0.0013491800000000 ] - [ -0.0004730800000000, 0.0005635000000000, -0.0002060200000000 ] - [ -0.0001329200000000, -0.0002302200000000, 0.0013491800000000 ] - [ -0.0000798700000000, -0.0001383300000000, -0.0005734100000000 ] - [ 0.0005747300000000, -0.0001672900000000, 0.0006873700000000 ] - [ 0.0002052300000000, -0.0000331600000000, -0.0004546700000000 ] - [ 0.0012052400000000, 0.0020875300000000, 0.0026406800000000 ] - [ 0.0024424700000000, 0.0009042400000000, 0.0026561700000000 ] - [ 0.0010001300000000, -0.0006335100000000, -0.0005729800000000 ] - [ 0.0001069700000000, -0.0001303300000000, -0.0004593700000000 ] - [ -0.0001424800000000, 0.0005813800000000, 0.0006873700000000 ] - [ -0.0010487000000000, 0.0005493900000000, -0.0005729800000000 ] - [ -0.0010487000000000, -0.0005493900000000, -0.0005729800000000 ] - [ -0.0024104700000000, 0.0000000000000000, 0.0026406800000000 ] - [ -0.0003300700000000, -0.0000810300000000, -0.0005101200000000 ] - [ -0.0001663600000000, 0.0000274800000000, -0.0004593700000000 ] - [ -0.0001313300000000, 0.0001611600000000, -0.0004546700000000 ] - [ -0.0002514600000000, 0.0006914500000000, -0.0002060200000000 ] - [ -0.0000051500000000, -0.0000089100000000, -0.0007391200000000 ] - [ 0.0000485600000000, -0.0011829000000000, -0.0005729800000000 ] - [ -0.0020043300000000, 0.0016631300000000, 0.0026561700000000 ] - [ -0.0001663600000000, -0.0000274800000000, -0.0004593700000000 ] - [ -0.0000166400000000, -0.0000288100000000, 0.0000037900000000 ] - [ -0.0000166400000000, 0.0000288100000000, 0.0000037900000000 ] - [ 0.0005747300000000, 0.0001672900000000, 0.0006873700000000 ] - [ -0.0002514600000000, -0.0006914500000000, -0.0002060200000000 ] - [ 0.0001597300000000, 0.0000000000000000, -0.0005734100000000 ] - [ -0.0000050500000000, 0.0000087400000000, -0.0017860000000000 ] - [ -0.0003445900000000, 0.0005968500000000, -0.0018727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001345300000000 ] - [ -0.0016004000000000, -0.0027719700000000, 0.0008735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047656800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3646110800000000 ] - [ -0.0010799600000000, -0.0018705400000000, -0.0019788100000000 ] - [ 0.0021599100000000, 0.0000000000000000, -0.0019788100000000 ] - [ 0.0032008000000000, 0.0000000000000000, 0.0008735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023225500000000 ] - [ -0.0010799600000000, 0.0018705400000000, -0.0019788100000000 ] - [ 0.0000101000000000, 0.0000000000000000, -0.0017860000000000 ] - [ -0.0000050500000000, -0.0000087400000000, -0.0017860000000000 ] - [ -0.0016004000000000, 0.0027719700000000, 0.0008735500000000 ] - [ 0.0006891900000000, 0.0000000000000000, -0.0018727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082749000000000 ] - [ -0.0003445900000000, -0.0005968500000000, -0.0018727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010836500000000 ] - [ -0.0001410500000000, 0.0002443100000000, 0.0040079700000000 ] - [ 0.0002647900000000, -0.0003998300000000, 0.0010412600000000 ] - [ 0.0005005400000000, 0.0000000000000000, 0.0009128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017341100000000 ] - [ 0.0002553100000000, 0.0002714400000000, -0.0013286100000000 ] - [ 0.0009279700000000, 0.0016072800000000, -0.0011927500000000 ] - [ -0.0018559300000000, 0.0000000000000000, -0.0011927500000000 ] - [ -0.0020408400000000, 0.0001763700000000, -0.0012361800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037721500000000 ] - [ -0.0003344900000000, 0.0000000000000000, 0.0014594300000000 ] - [ -0.0004012600000000, 0.0003992600000000, 0.0009512700000000 ] - [ 0.0013217900000000, 0.0000000000000000, 0.0019070300000000 ] - [ -0.0009790600000000, -0.0000686800000000, -0.0004213100000000 ] - [ 0.0002553100000000, -0.0002714400000000, -0.0013286100000000 ] - [ -0.0000646500000000, -0.0001119800000000, 0.0012962600000000 ] - [ -0.0003627300000000, 0.0000853900000000, -0.0013286100000000 ] - [ 0.0005490100000000, 0.0008135500000000, -0.0004213100000000 ] - [ 0.0002821100000000, 0.0000000000000000, 0.0040079700000000 ] - [ -0.0014196300000000, -0.0000811000000000, 0.0007260000000000 ] - [ 0.0005464000000000, 0.0001478700000000, 0.0009512700000000 ] - [ -0.0080750900000000, 0.0139864700000000, 0.0248418000000000 ] - [ 0.0002981700000000, 0.0005164500000000, -0.0006592900000000 ] - [ 0.0011731600000000, -0.0016792400000000, -0.0012361800000000 ] - [ 0.0001672400000000, -0.0002896800000000, 0.0014594300000000 ] - [ 0.0001461000000000, -0.0002530500000000, 0.0003550100000000 ] - [ -0.0000646500000000, 0.0001119800000000, 0.0012962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013813700000000 ] - [ -0.0001451400000000, 0.0005471400000000, 0.0009512700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004154800000000 ] - [ -0.0002922000000000, 0.0000000000000000, 0.0003550100000000 ] - [ -0.0001410500000000, -0.0002443100000000, 0.0040079700000000 ] - [ -0.0011526000000000, 0.0000000000000000, -0.0002624400000000 ] - [ 0.0001074200000000, -0.0003568200000000, -0.0013286100000000 ] - [ 0.0007800500000000, -0.0011888800000000, 0.0007260000000000 ] - [ 0.0006395800000000, -0.0012699900000000, 0.0007260000000000 ] - [ 0.0008676800000000, -0.0018556000000000, -0.0012361800000000 ] - [ -0.0002502700000000, -0.0004334800000000, 0.0009128000000000 ] - [ -0.0000341200000000, 0.0000000000000000, 0.0010997700000000 ] - [ 0.0009279700000000, -0.0016072800000000, -0.0011927500000000 ] - [ 0.0001102000000000, 0.0001495400000000, 0.0007084900000000 ] - [ -0.0003627300000000, -0.0000853900000000, -0.0013286100000000 ] - [ -0.0002502700000000, 0.0004334800000000, 0.0009128000000000 ] - [ 0.0002138700000000, 0.0004292300000000, 0.0010412600000000 ] - [ 0.0006395800000000, 0.0012699900000000, 0.0007260000000000 ] - [ -0.0020408400000000, -0.0001763700000000, -0.0012361800000000 ] - [ 0.0002138700000000, -0.0004292300000000, 0.0010412600000000 ] - [ -0.0006609000000000, 0.0011447100000000, 0.0019070300000000 ] - [ 0.0002981700000000, -0.0005164500000000, -0.0006592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017341100000000 ] - [ -0.0005963500000000, 0.0000000000000000, -0.0006592900000000 ] - [ 0.0001102000000000, -0.0001495400000000, 0.0007084900000000 ] - [ 0.0008676800000000, 0.0018556000000000, -0.0012361800000000 ] - [ 0.0005763000000000, -0.0009981800000000, -0.0002624400000000 ] - [ -0.0001846000000000, 0.0000206700000000, 0.0007084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013813700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035813600000000 ] - [ -0.0006609000000000, -0.0011447100000000, 0.0019070300000000 ] - [ 0.0161501900000000, 0.0000000000000000, 0.0248418000000000 ] - [ 0.0002647900000000, 0.0003998300000000, 0.0010412600000000 ] - [ -0.0001451400000000, -0.0005471400000000, 0.0009512700000000 ] - [ -0.0080750900000000, -0.0139864700000000, 0.0248418000000000 ] - [ 0.0005763000000000, 0.0009981800000000, -0.0002624400000000 ] - [ 0.0000170600000000, 0.0000295500000000, 0.0010997700000000 ] - [ 0.0001293100000000, 0.0000000000000000, 0.0012962600000000 ] - [ 0.0001461000000000, 0.0002530500000000, 0.0003550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004154800000000 ] - [ 0.0005490100000000, -0.0008135500000000, -0.0004213100000000 ] - [ 0.0004300500000000, 0.0008822300000000, -0.0004213100000000 ] - [ -0.0014196300000000, 0.0000811000000000, 0.0007260000000000 ] - [ 0.0001074200000000, 0.0003568200000000, -0.0013286100000000 ] - [ -0.0009790600000000, 0.0000686800000000, -0.0004213100000000 ] - [ 0.0011731600000000, 0.0016792400000000, -0.0012361800000000 ] - [ 0.0004300500000000, -0.0008822300000000, -0.0004213100000000 ] - [ 0.0000744000000000, 0.0001702100000000, 0.0007084900000000 ] - [ 0.0005464000000000, -0.0001478700000000, 0.0009512700000000 ] - [ 0.0000744000000000, -0.0001702100000000, 0.0007084900000000 ] - [ 0.0001672400000000, 0.0002896800000000, 0.0014594300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4503906700000000 ] - [ 0.0007800500000000, 0.0011888800000000, 0.0007260000000000 ] - [ -0.0004786600000000, 0.0000294000000000, 0.0010412600000000 ] - [ -0.0001846000000000, -0.0000206700000000, 0.0007084900000000 ] - [ -0.0004012600000000, -0.0003992600000000, 0.0009512700000000 ] - [ 0.0000170600000000, -0.0000295500000000, 0.0010997700000000 ] - [ -0.0004786600000000, -0.0000294000000000, 0.0010412600000000 ] - [ -0.0005921300000000, 0.0010256100000000, -0.0000848400000000 ] - [ -0.0001145400000000, -0.0001983900000000, 0.0008213100000000 ] - [ -0.0010276100000000, 0.0017798700000000, -0.0005887000000000 ] - [ 0.0002766900000000, 0.0000000000000000, 0.0008155500000000 ] - [ -0.0002302300000000, 0.0003987700000000, 0.0006927500000000 ] - [ -0.0010276100000000, -0.0017798700000000, -0.0005887000000000 ] - [ 0.0004604600000000, 0.0000000000000000, 0.0006927500000000 ] - [ -0.0001383400000000, -0.0002396200000000, 0.0008155500000000 ] - [ -0.0005921300000000, -0.0010256100000000, -0.0000848400000000 ] - [ -0.0000298600000000, -0.0000517300000000, -0.0028987100000000 ] - [ 0.0011842700000000, 0.0000000000000000, -0.0000848400000000 ] - [ -0.0002302300000000, -0.0003987700000000, 0.0006927500000000 ] - [ 0.0000597300000000, 0.0000000000000000, -0.0028987100000000 ] - [ -0.0001383400000000, 0.0002396200000000, 0.0008155500000000 ] - [ -0.0000298600000000, 0.0000517300000000, -0.0028987100000000 ] - [ 0.0002290800000000, 0.0000000000000000, 0.0008213100000000 ] - [ 0.0020552200000000, 0.0000000000000000, -0.0005887000000000 ] - [ -0.0001145400000000, 0.0001983900000000, 0.0008213100000000 ]- atom: 165 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000124500000000, 0.0002714300000000, 0.0008961800000000 ] - [ -0.0003134200000000, 0.0005428700000000, 0.0013144300000000 ] - [ -0.0000604500000000, 0.0001047100000000, 0.0010342800000000 ] - [ 0.0000993100000000, -0.0000878800000000, 0.0006785000000000 ] - [ -0.0011113800000000, 0.0019249700000000, 0.0029174000000000 ] - [ -0.0026605100000000, 0.0005191900000000, -0.0026397900000000 ] - [ 0.0008806200000000, -0.0025636700000000, -0.0026397900000000 ] - [ -0.0011113800000000, -0.0019249700000000, 0.0029174000000000 ] - [ -0.0000509800000000, 0.0000883000000000, 0.0007112900000000 ] - [ 0.0017798900000000, 0.0020444800000000, -0.0026397900000000 ] - [ 0.0000993100000000, 0.0000878800000000, 0.0006785000000000 ] - [ 0.0003408900000000, 0.0001285500000000, -0.0000541400000000 ] - [ 0.0002419100000000, -0.0000080600000000, -0.0012663300000000 ] - [ -0.0002093500000000, 0.0000903800000000, 0.0010226600000000 ] - [ -0.0002817800000000, -0.0002309500000000, -0.0000541400000000 ] - [ -0.0003134200000000, -0.0005428700000000, 0.0013144300000000 ] - [ 0.0006268500000000, 0.0000000000000000, 0.0013144300000000 ] - [ 0.0000264500000000, 0.0001299500000000, 0.0006785000000000 ] - [ -0.0010322400000000, -0.0003283000000000, 0.0006561300000000 ] - [ 0.0002419100000000, 0.0000080600000000, -0.0012663300000000 ] - [ 0.0008806200000000, 0.0025636700000000, -0.0026397900000000 ] - [ 0.0002318000000000, -0.0010581000000000, 0.0006561300000000 ] - [ -0.0000124500000000, -0.0002714300000000, 0.0008961800000000 ] - [ 0.0001209100000000, 0.0000000000000000, 0.0010342800000000 ] - [ 0.0002502800000000, 0.0000000000000000, 0.0005635700000000 ] - [ -0.0001279400000000, 0.0002054700000000, -0.0012663300000000 ] - [ -0.0012332900000000, 0.0021361300000000, -0.0030328300000000 ] - [ 0.0001829500000000, -0.0001361100000000, 0.0010226600000000 ] - [ 0.0002412900000000, 0.0001249400000000, 0.0008961800000000 ] - [ -0.0002093500000000, -0.0000903800000000, 0.0010226600000000 ] - [ 0.0004819300000000, 0.0000000000000000, -0.0012990300000000 ] - [ 0.0022227600000000, 0.0000000000000000, 0.0029174000000000 ] - [ 0.0000264000000000, -0.0002264900000000, 0.0010226600000000 ] - [ 0.0000264000000000, 0.0002264900000000, 0.0010226600000000 ] - [ -0.0002817800000000, 0.0002309500000000, -0.0000541400000000 ] - [ -0.0001257600000000, 0.0000420700000000, 0.0006785000000000 ] - [ -0.0002409700000000, 0.0004173700000000, -0.0012990300000000 ] - [ 0.0003408900000000, -0.0001285500000000, -0.0000541400000000 ] - [ -0.0002409700000000, -0.0004173700000000, -0.0012990300000000 ] - [ -0.0000509800000000, -0.0000883000000000, 0.0007112900000000 ] - [ -0.0001139700000000, 0.0002135300000000, -0.0012663300000000 ] - [ 0.0000264500000000, -0.0001299500000000, 0.0006785000000000 ] - [ -0.0012332900000000, -0.0021361300000000, -0.0030328300000000 ] - [ -0.0026605100000000, -0.0005191900000000, -0.0026397900000000 ] - [ -0.0010322400000000, 0.0003283000000000, 0.0006561300000000 ] - [ 0.0002412900000000, -0.0001249400000000, 0.0008961800000000 ] - [ -0.0001279400000000, -0.0002054700000000, -0.0012663300000000 ] - [ 0.0008004400000000, -0.0007298000000000, 0.0006561300000000 ] - [ 0.0008004400000000, 0.0007298000000000, 0.0006561300000000 ] - [ 0.0024665900000000, 0.0000000000000000, -0.0030328300000000 ] - [ 0.0001829500000000, 0.0001361100000000, 0.0010226600000000 ] - [ -0.0002288400000000, 0.0001464900000000, 0.0008961800000000 ] - [ -0.0001257600000000, -0.0000420700000000, 0.0006785000000000 ] - [ -0.0000591200000000, -0.0003595000000000, -0.0000541400000000 ] - [ -0.0000604500000000, -0.0001047100000000, 0.0010342800000000 ] - [ 0.0002318000000000, 0.0010581000000000, 0.0006561300000000 ] - [ 0.0017798900000000, -0.0020444800000000, -0.0026397900000000 ] - [ -0.0002288400000000, -0.0001464900000000, 0.0008961800000000 ] - [ -0.0001251400000000, -0.0002167500000000, 0.0005635700000000 ] - [ -0.0001251400000000, 0.0002167500000000, 0.0005635700000000 ] - [ -0.0001139700000000, -0.0002135300000000, -0.0012663300000000 ] - [ -0.0000591200000000, 0.0003595000000000, -0.0000541400000000 ] - [ 0.0001019600000000, 0.0000000000000000, 0.0007112900000000 ] - [ 0.0000592300000000, -0.0001026000000000, 0.0023772200000000 ] - [ 0.0002770100000000, -0.0004798000000000, 0.0020919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008745300000000 ] - [ 0.0018723700000000, 0.0032430400000000, -0.0009816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3399428100000000 ] - [ 0.0013082900000000, 0.0022660300000000, 0.0014977200000000 ] - [ -0.0026165800000000, 0.0000000000000000, 0.0014977200000000 ] - [ -0.0037447400000000, 0.0000000000000000, -0.0009816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021457500000000 ] - [ 0.0013082900000000, -0.0022660300000000, 0.0014977200000000 ] - [ -0.0001184700000000, 0.0000000000000000, 0.0023772200000000 ] - [ 0.0000592300000000, 0.0001026000000000, 0.0023772200000000 ] - [ 0.0018723700000000, -0.0032430400000000, -0.0009816600000000 ] - [ -0.0005540200000000, 0.0000000000000000, 0.0020919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089700000000000 ] - [ 0.0002770100000000, 0.0004798000000000, 0.0020919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007536900000000 ] - [ 0.0002635200000000, -0.0004564400000000, -0.0037699700000000 ] - [ 0.0001577200000000, 0.0005839400000000, -0.0005076400000000 ] - [ 0.0001363400000000, 0.0000000000000000, -0.0004669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006571600000000 ] - [ -0.0000546200000000, 0.0000055900000000, 0.0006737700000000 ] - [ -0.0007701500000000, -0.0013339500000000, 0.0010997800000000 ] - [ 0.0015403100000000, 0.0000000000000000, 0.0010997800000000 ] - [ 0.0022949300000000, -0.0000348600000000, 0.0007453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045959800000000 ] - [ 0.0004171200000000, 0.0000000000000000, -0.0010023100000000 ] - [ -0.0001029000000000, -0.0000138700000000, -0.0005554600000000 ] - [ -0.0002034500000000, 0.0000000000000000, -0.0010859800000000 ] - [ -0.0006854400000000, 0.0000212500000000, -0.0005583300000000 ] - [ -0.0000546200000000, -0.0000055900000000, 0.0006737700000000 ] - [ -0.0000240800000000, -0.0000417100000000, -0.0014942200000000 ] - [ 0.0000224700000000, -0.0000501000000000, 0.0006737700000000 ] - [ 0.0003243200000000, 0.0006042400000000, -0.0005583300000000 ] - [ -0.0005270500000000, 0.0000000000000000, -0.0037699700000000 ] - [ 0.0016855500000000, 0.0005329000000000, -0.0009733100000000 ] - [ 0.0000394300000000, 0.0000960500000000, -0.0005554600000000 ] - [ 0.0077090100000000, -0.0133523900000000, -0.0242826800000000 ] - [ -0.0004330000000000, -0.0007499700000000, 0.0002922800000000 ] - [ -0.0011776600000000, 0.0019700400000000, 0.0007453000000000 ] - [ -0.0002085600000000, 0.0003612400000000, -0.0010023100000000 ] - [ 0.0000828000000000, -0.0001434100000000, -0.0007073700000000 ] - [ -0.0000240800000000, 0.0000417100000000, -0.0014942200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013404000000000 ] - [ 0.0000634600000000, 0.0000821700000000, -0.0005554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012234000000000 ] - [ -0.0001656000000000, 0.0000000000000000, -0.0007073700000000 ] - [ 0.0002635200000000, 0.0004564400000000, -0.0037699700000000 ] - [ 0.0009352500000000, 0.0000000000000000, -0.0000771600000000 ] - [ 0.0000321500000000, 0.0000445100000000, 0.0006737700000000 ] - [ -0.0013042800000000, 0.0011932800000000, -0.0009733100000000 ] - [ -0.0003812800000000, 0.0017261800000000, -0.0009733100000000 ] - [ -0.0011172800000000, 0.0020049000000000, 0.0007453000000000 ] - [ -0.0000681700000000, -0.0001180800000000, -0.0004669600000000 ] - [ 0.0001633300000000, 0.0000000000000000, -0.0015986800000000 ] - [ -0.0007701500000000, 0.0013339500000000, 0.0010997800000000 ] - [ -0.0001897900000000, -0.0002964500000000, -0.0003824900000000 ] - [ 0.0000224700000000, 0.0000501000000000, 0.0006737700000000 ] - [ -0.0000681700000000, 0.0001180800000000, -0.0004669600000000 ] - [ -0.0005845700000000, -0.0001553800000000, -0.0005076400000000 ] - [ -0.0003812800000000, -0.0017261800000000, -0.0009733100000000 ] - [ 0.0022949300000000, 0.0000348600000000, 0.0007453000000000 ] - [ -0.0005845700000000, 0.0001553800000000, -0.0005076400000000 ] - [ 0.0001017300000000, -0.0001762000000000, -0.0010859800000000 ] - [ -0.0004330000000000, 0.0007499700000000, 0.0002922800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006571600000000 ] - [ 0.0008659900000000, 0.0000000000000000, 0.0002922800000000 ] - [ -0.0001897900000000, 0.0002964500000000, -0.0003824900000000 ] - [ -0.0011172800000000, -0.0020049000000000, 0.0007453000000000 ] - [ -0.0004676200000000, 0.0008099500000000, -0.0000771600000000 ] - [ 0.0003516300000000, -0.0000161400000000, -0.0003824900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013404000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044530300000000 ] - [ 0.0001017300000000, 0.0001762000000000, -0.0010859800000000 ] - [ -0.0154180100000000, 0.0000000000000000, -0.0242826800000000 ] - [ 0.0001577200000000, -0.0005839400000000, -0.0005076400000000 ] - [ 0.0000634600000000, -0.0000821700000000, -0.0005554600000000 ] - [ 0.0077090100000000, 0.0133523900000000, -0.0242826800000000 ] - [ -0.0004676200000000, -0.0008099500000000, -0.0000771600000000 ] - [ -0.0000816600000000, -0.0001414500000000, -0.0015986800000000 ] - [ 0.0000481700000000, 0.0000000000000000, -0.0014942200000000 ] - [ 0.0000828000000000, 0.0001434100000000, -0.0007073700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012234000000000 ] - [ 0.0003243200000000, -0.0006042400000000, -0.0005583300000000 ] - [ 0.0003611200000000, 0.0005829900000000, -0.0005583300000000 ] - [ 0.0016855500000000, -0.0005329000000000, -0.0009733100000000 ] - [ 0.0000321500000000, -0.0000445100000000, 0.0006737700000000 ] - [ -0.0006854400000000, -0.0000212500000000, -0.0005583300000000 ] - [ -0.0011776600000000, -0.0019700400000000, 0.0007453000000000 ] - [ 0.0003611200000000, -0.0005829900000000, -0.0005583300000000 ] - [ -0.0001618400000000, -0.0003125900000000, -0.0003824900000000 ] - [ 0.0000394300000000, -0.0000960500000000, -0.0005554600000000 ] - [ -0.0001618400000000, 0.0003125900000000, -0.0003824900000000 ] - [ -0.0002085600000000, -0.0003612400000000, -0.0010023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4234452400000000 ] - [ -0.0013042800000000, -0.0011932800000000, -0.0009733100000000 ] - [ 0.0004268500000000, 0.0004285600000000, -0.0005076400000000 ] - [ 0.0003516300000000, 0.0000161400000000, -0.0003824900000000 ] - [ -0.0001029000000000, 0.0000138700000000, -0.0005554600000000 ] - [ -0.0000816600000000, 0.0001414500000000, -0.0015986800000000 ] - [ 0.0004268500000000, -0.0004285600000000, -0.0005076400000000 ] - [ 0.0006365900000000, -0.0011026000000000, 0.0000365100000000 ] - [ -0.0000047600000000, -0.0000082500000000, -0.0006142200000000 ] - [ 0.0010238100000000, -0.0017733000000000, 0.0007395400000000 ] - [ -0.0007348000000000, 0.0000000000000000, -0.0004758700000000 ] - [ 0.0002576300000000, -0.0004462200000000, -0.0006643900000000 ] - [ 0.0010238100000000, 0.0017733000000000, 0.0007395400000000 ] - [ -0.0005152500000000, 0.0000000000000000, -0.0006643900000000 ] - [ 0.0003674000000000, 0.0006363500000000, -0.0004758700000000 ] - [ 0.0006365900000000, 0.0011026000000000, 0.0000365100000000 ] - [ 0.0000331000000000, 0.0000573300000000, 0.0021789700000000 ] - [ -0.0012731700000000, 0.0000000000000000, 0.0000365100000000 ] - [ 0.0002576300000000, 0.0004462200000000, -0.0006643900000000 ] - [ -0.0000662000000000, 0.0000000000000000, 0.0021789700000000 ] - [ 0.0003674000000000, -0.0006363500000000, -0.0004758700000000 ] - [ 0.0000331000000000, -0.0000573300000000, 0.0021789700000000 ] - [ 0.0000095200000000, 0.0000000000000000, -0.0006142200000000 ] - [ -0.0020476300000000, 0.0000000000000000, 0.0007395400000000 ] - [ -0.0000047600000000, 0.0000082500000000, -0.0006142200000000 ]- atom: 172 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000271300000000, 0.0001859000000000, 0.0001361000000000 ] - [ 0.0002902600000000, 0.0001510300000000, -0.0001735100000000 ] - [ -0.0000502900000000, 0.0001097700000000, 0.0001491000000000 ] - [ -0.0003001900000000, -0.0003249700000000, 0.0004260700000000 ] - [ -0.0001479100000000, 0.0002919600000000, -0.0002216700000000 ] - [ -0.0000539600000000, -0.0000154200000000, -0.0001879000000000 ] - [ 0.0004498900000000, 0.0000306600000000, 0.0009475800000000 ] - [ -0.0001317600000000, -0.0001893700000000, -0.0001050400000000 ] - [ -0.0000358800000000, 0.0001264300000000, 0.0000513500000000 ] - [ -0.0000698100000000, 0.0000423200000000, -0.0001695000000000 ] - [ 0.0000515700000000, -0.0000112300000000, -0.0000020500000000 ] - [ -0.0000952800000000, -0.0002961100000000, -0.0001322300000000 ] - [ -0.0010608300000000, -0.0003971400000000, -0.0005705000000000 ] - [ 0.0000198700000000, -0.0000705800000000, 0.0002481300000000 ] - [ 0.0000527300000000, -0.0000503600000000, -0.0001180400000000 ] - [ 0.0000075600000000, 0.0000770500000000, 0.0000664900000000 ] - [ -0.0000665700000000, 0.0001301500000000, 0.0000198600000000 ] - [ 0.0005446600000000, 0.0000627500000000, 0.0009517600000000 ] - [ 0.0000869200000000, -0.0001128600000000, 0.0001728900000000 ] - [ 0.0000525900000000, -0.0000669400000000, -0.0001640200000000 ] - [ 0.0000629800000000, 0.0001831000000000, -0.0002391900000000 ] - [ -0.0002380800000000, 0.0007854800000000, 0.0002085800000000 ] - [ 0.0000486800000000, -0.0001803700000000, 0.0002855100000000 ] - [ 0.0001181400000000, -0.0000003500000000, 0.0001489600000000 ] - [ -0.0001870400000000, -0.0007223300000000, 0.0004452900000000 ] - [ 0.0053396500000000, 0.0019591900000000, -0.0022528700000000 ] - [ 0.0051239700000000, -0.0016729300000000, -0.0016265500000000 ] - [ -0.0000489500000000, -0.0000301200000000, 0.0002451400000000 ] - [ 0.0000381900000000, 0.0001282100000000, 0.0002089800000000 ] - [ -0.0000223900000000, 0.0000839300000000, 0.0002489900000000 ] - [ 0.0002094300000000, -0.0001650800000000, -0.0001581500000000 ] - [ 0.0003222900000000, 0.0000015500000000, -0.0002197300000000 ] - [ 0.0000795900000000, 0.0000473600000000, 0.0002535300000000 ] - [ 0.0000575300000000, -0.0000309400000000, 0.0002426800000000 ] - [ 0.0003070700000000, 0.0000526100000000, -0.0001374000000000 ] - [ 0.0002833600000000, -0.0000982300000000, -0.0003215400000000 ] - [ 0.0003254300000000, 0.0003217500000000, -0.0004545800000000 ] - [ -0.0000396100000000, 0.0001543900000000, -0.0002351700000000 ] - [ -0.0005281600000000, -0.0005051600000000, 0.0003203000000000 ] - [ -0.0000977700000000, -0.0001192200000000, 0.0000584500000000 ] - [ 0.0094924800000000, 0.0002572800000000, 0.0037289400000000 ] - [ -0.0000556800000000, -0.0002213200000000, -0.0000481200000000 ] - [ 0.0000044300000000, 0.0001579900000000, -0.0000226700000000 ] - [ -0.0004601900000000, 0.0003884800000000, 0.0003393600000000 ] - [ 0.0038788300000000, -0.0005212500000000, 0.0003858600000000 ] - [ 0.0002368100000000, -0.0001212900000000, 0.0002161300000000 ] - [ -0.0011402300000000, 0.0003744100000000, -0.0005770100000000 ] - [ 0.0000147400000000, 0.0001890000000000, 0.0001993600000000 ] - [ -0.0010615300000000, 0.0002554300000000, -0.0002233200000000 ] - [ -0.0001929400000000, 0.0007206100000000, -0.0000208800000000 ] - [ -0.0000769800000000, 0.0000218700000000, 0.0002457100000000 ] - [ -0.0001726200000000, 0.0000455000000000, 0.0002830500000000 ] - [ -0.0004463400000000, 0.0002430100000000, 0.0004254300000000 ] - [ -0.0001601300000000, 0.0001331600000000, -0.0000193900000000 ] - [ -0.0000324000000000, -0.0000349800000000, 0.0000623400000000 ] - [ 0.0032636500000000, 0.0000474300000000, -0.0005993800000000 ] - [ 0.0003110400000000, -0.0002419400000000, -0.0004727800000000 ] - [ -0.0002271700000000, -0.0001447000000000, 0.0002120800000000 ] - [ -0.0010300200000000, -0.0002575600000000, 0.0000335300000000 ] - [ 0.0048703800000000, -0.0012837200000000, -0.0011792900000000 ] - [ -0.0001407700000000, -0.0007379100000000, -0.0001416700000000 ] - [ -0.0001335100000000, -0.0001127700000000, -0.0002347500000000 ] - [ 0.0001326000000000, -0.0000177900000000, 0.0000502000000000 ] - [ 0.0001951200000000, -0.0000478900000000, 0.0002679000000000 ] - [ 0.0000184200000000, 0.0008821000000000, 0.0004754300000000 ] - [ -0.0000008300000000, -0.0009748300000000, 0.0004590200000000 ] - [ -0.0080851500000000, 0.0000753400000000, -0.0011375500000000 ] - [ -0.0079544200000000, 0.0002144100000000, -0.0011733100000000 ] - [ -0.0016108000000000, -0.0040046600000000, -0.0000837800000000 ] - [ 0.0000189900000000, 0.0000401400000000, 0.0004775400000000 ] - [ 0.0004091800000000, 0.0007676300000000, 0.0005538800000000 ] - [ -0.0000471100000000, 0.0001629000000000, -0.0002493100000000 ] - [ -0.0003748800000000, 0.0000437700000000, -0.0002422700000000 ] - [ -0.0018705600000000, -0.0037984400000000, 0.0004865300000000 ] - [ -0.0015174300000000, 0.0000061600000000, -0.0006704000000000 ] - [ 0.0004964900000000, -0.0001978400000000, -0.0002126200000000 ] - [ -0.0001323000000000, 0.0000141700000000, 0.0002928100000000 ] - [ -0.0000557800000000, 0.0000352800000000, 0.0002982700000000 ] - [ -0.0014876200000000, 0.0038217500000000, 0.0004593000000000 ] - [ 0.0001314300000000, -0.0007936600000000, 0.0004526200000000 ] - [ -0.0000371500000000, -0.0000056100000000, -0.0002654400000000 ] - [ 0.0000183200000000, -0.0000394100000000, -0.0003214100000000 ] - [ -0.0016951300000000, 0.0034620900000000, -0.0007723200000000 ] - [ -0.0013922100000000, -0.0000568200000000, -0.0005325600000000 ] - [ 0.0001009300000000, -0.0000011900000000, -0.0003661100000000 ] - [ -0.0000274100000000, 0.0000777200000000, 0.0000076600000000 ] - [ -0.0000242200000000, -0.0000447300000000, 0.0002666200000000 ] - [ 0.0011715700000000, -0.0047629100000000, 0.0020542800000000 ] - [ 0.0000791100000000, -0.0002622200000000, 0.0003174800000000 ] - [ 0.0003618800000000, 0.0000168700000000, 0.0002135000000000 ] - [ 0.0000133100000000, -0.0000001800000000, 0.0004732600000000 ] - [ 0.0000154900000000, 0.0007372500000000, -0.0008369100000000 ] - [ 0.0023647700000000, 0.0015993700000000, -0.0003860500000000 ] - [ 0.0006971600000000, 0.0006626200000000, 0.0000922100000000 ] - [ 0.0008913800000000, 0.0039432500000000, 0.0008648800000000 ] - [ 0.0003533700000000, -0.0007666300000000, 0.0007078800000000 ] - [ 0.0000697100000000, -0.0000140000000000, 0.0002308400000000 ] - [ -0.0002022700000000, 0.0001708300000000, 0.0001935700000000 ] - [ 0.0005297300000000, -0.0000028600000000, 0.0003978000000000 ] - [ 0.0001035400000000, 0.0006484900000000, -0.0003482000000000 ] - [ 0.0005810300000000, -0.0002606500000000, -0.0001931600000000 ] - [ 0.0000055500000000, -0.0000842000000000, -0.0001021200000000 ] - [ -0.0001709800000000, 0.0003182000000000, -0.0004819600000000 ] - [ 0.0027187200000000, 0.0022006100000000, -0.0008090300000000 ] - [ 0.0007080600000000, -0.0008180100000000, 0.0001986600000000 ] - [ 0.0001569000000000, 0.0002094300000000, -0.0001258700000000 ] - [ 0.0003337900000000, 0.0000997300000000, 0.0001891800000000 ] - [ 0.0000573800000000, -0.0003275500000000, -0.0002138900000000 ] - [ 0.0020241000000000, -0.0001168600000000, 0.0001417000000000 ] - [ -0.0003390100000000, -0.0016099500000000, -0.0001096400000000 ] - [ -0.0000953200000000, 0.0000350500000000, 0.0002203400000000 ] - [ -0.0000127000000000, -0.0006894900000000, -0.0006134900000000 ] - [ -0.0001753600000000, 0.0000740800000000, -0.0000726600000000 ] - [ 0.0002844500000000, -0.0000009600000000, 0.0004594500000000 ] - [ -0.0000255100000000, 0.0003046000000000, 0.0001811000000000 ] - [ 0.0002327900000000, 0.0012607400000000, 0.0007732200000000 ] - [ -0.0002763200000000, 0.0002825800000000, -0.0003316600000000 ] - [ -0.0001068600000000, -0.0017240000000000, -0.0000575400000000 ] - [ -0.0000209200000000, 0.0000242600000000, -0.0001274700000000 ] - [ -0.0000921700000000, 0.0002430700000000, -0.0002651900000000 ] - [ -0.0004737600000000, -0.0000028900000000, -0.0002480100000000 ] - [ -0.0000213200000000, 0.0001831500000000, -0.0000759300000000 ] - [ 0.0007703800000000, -0.0005852500000000, -0.0001292300000000 ] - [ -0.0001084800000000, -0.0002484500000000, 0.0002194200000000 ] - [ 0.0000627800000000, 0.0001449100000000, -0.0004577600000000 ] - [ 0.0008597300000000, -0.0043927800000000, 0.0013471400000000 ] - [ -0.0000327800000000, -0.0000441700000000, 0.0001638000000000 ] - [ 0.0006520400000000, -0.0000096800000000, 0.0006393700000000 ] - [ -0.0002235700000000, 0.0003012600000000, 0.0002211500000000 ] - [ 0.0005353200000000, 0.0001323400000000, 0.0010890900000000 ] - [ 0.0001616000000000, -0.0002305100000000, -0.0001295200000000 ] - [ -0.0001442900000000, 0.0015930800000000, -0.0001218700000000 ] - [ -0.0002224100000000, -0.0004223100000000, 0.0000959200000000 ] - [ -0.0002669100000000, 0.0004535900000000, 0.0003971300000000 ] - [ 0.0001292400000000, -0.0011735400000000, -0.0002494100000000 ] - [ -0.0000080500000000, 0.0000128500000000, 0.0005672300000000 ] - [ 0.0003351100000000, 0.0011179200000000, -0.0003310500000000 ] - [ -0.0000424200000000, 0.0000879400000000, 0.0001622900000000 ] - [ 0.0073394400000000, -0.0002075300000000, -0.0024222900000000 ] - [ -0.0000966400000000, -0.0000494400000000, -0.0001221800000000 ] - [ 0.0000602500000000, 0.0000072900000000, 0.0001625400000000 ] - [ 0.0000167900000000, 0.0001802400000000, -0.0002599100000000 ] - [ -0.0000082500000000, -0.0000177000000000, -0.0004704900000000 ] - [ -0.0002832100000000, -0.0004965200000000, 0.0004046800000000 ] - [ -0.0002817200000000, -0.0001020100000000, -0.0001589600000000 ] - [ 0.0006732100000000, -0.0002138800000000, 0.0003655900000000 ] - [ -0.0001024700000000, -0.0003395700000000, 0.0001977000000000 ] - [ -0.0002112900000000, -0.0005079400000000, -0.0002548700000000 ] - [ 0.0001462400000000, 0.0001337300000000, -0.0001971400000000 ] - [ 0.0002270700000000, -0.0000507100000000, 0.0001525500000000 ] - [ 0.0001384700000000, -0.0000002500000000, -0.0001003600000000 ] - [ 0.0005722300000000, 0.0003117700000000, -0.0000680200000000 ] - [ 0.0023090100000000, 0.0000140900000000, 0.0008369300000000 ] - [ 0.0000914000000000, 0.0009882800000000, -0.0003103300000000 ] - [ 0.0012860600000000, 0.0046836600000000, 0.0008621400000000 ] - [ 0.0002268400000000, -0.0002694500000000, -0.0001551700000000 ] - [ 0.0005679500000000, 0.0002945700000000, -0.0002177500000000 ] - [ 0.0064041100000000, 0.0001066300000000, -0.0030734300000000 ] - [ 0.0022889800000000, -0.0016441800000000, -0.0004657300000000 ] - [ 0.0025849400000000, -0.0022309700000000, -0.0008182300000000 ] - [ -0.0000426200000000, -0.0000788800000000, 0.0001647700000000 ] - [ 0.0001959600000000, -0.0001194600000000, 0.0001918300000000 ] - [ -0.0000499100000000, 0.0000869900000000, 0.0001507300000000 ] - [ 0.0000099400000000, -0.0000276100000000, 0.0002305500000000 ] - [ -0.0000642900000000, -0.0005659200000000, -0.0006545100000000 ] - [ -0.0001765100000000, -0.0000389400000000, -0.0000748800000000 ] - [ -0.0001514600000000, 0.0006829800000000, -0.0001350500000000 ] - [ 0.0001320700000000, -0.0000026900000000, 0.0001535300000000 ] - [ -0.0002388700000000, -0.0001900700000000, 0.0001813600000000 ] - [ -0.0000323800000000, -0.0000892200000000, -0.0004763800000000 ] - [ -0.0001622100000000, 0.0001161100000000, 0.0003241100000000 ] - [ -0.0366420900000000, 0.0027440300000000, 0.0008395100000000 ] - [ -0.0000367100000000, -0.0000998400000000, 0.0001320000000000 ] - [ -0.0000484500000000, -0.0001240400000000, 0.0003078800000000 ] - [ -0.0002440700000000, 0.0000232700000000, 0.0001954700000000 ] - [ -0.0028978200000000, -0.0000410400000000, 0.0005064000000000 ] - [ 0.0001718600000000, -0.0000017700000000, -0.0002825100000000 ] - [ 0.0002133800000000, 0.0001651300000000, 0.0000132700000000 ] - [ 0.0001430700000000, 0.0001986900000000, 0.0001167700000000 ] - [ 0.0004754200000000, 0.0000383100000000, -0.0000197100000000 ] - [ 0.0002339600000000, 0.0001382100000000, -0.0003215400000000 ] - [ 0.0003463700000000, 0.0000301600000000, -0.0000349400000000 ] - [ 0.0002561600000000, -0.0001553600000000, 0.0000151000000000 ] - [ 0.0002132200000000, -0.0001937900000000, -0.0003604000000000 ] - [ 0.0001053400000000, -0.0002196500000000, 0.0001998000000000 ] - [ -0.0025347700000000, -0.0000372300000000, -0.0009371000000000 ] - [ 0.0001105700000000, 0.0000172800000000, 0.0000841900000000 ] - [ -0.0000383200000000, 0.0001132700000000, 0.0002661000000000 ] - [ -0.0000701500000000, 0.0000897500000000, 0.0000827900000000 ]- atom: 172 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000247700000000, 0.0002330500000000, 0.0002929600000000 ] - [ -0.0004066000000000, 0.0000788600000000, 0.0005059000000000 ] - [ -0.0000006200000000, -0.0000067200000000, 0.0001280100000000 ] - [ 0.0003173700000000, 0.0000478500000000, -0.0001711700000000 ] - [ -0.0001000700000000, 0.0001515700000000, -0.0002213400000000 ] - [ -0.0001670400000000, -0.0003704000000000, 0.0001801000000000 ] - [ -0.0000054000000000, -0.0000261100000000, -0.0009620200000000 ] - [ -0.0001273700000000, -0.0002578300000000, -0.0003340800000000 ] - [ -0.0000920300000000, 0.0001188400000000, 0.0000620700000000 ] - [ -0.0001651500000000, 0.0003481500000000, 0.0001573500000000 ] - [ -0.0000372700000000, 0.0003003400000000, 0.0002485700000000 ] - [ -0.0000429800000000, -0.0001400100000000, -0.0001171200000000 ] - [ 0.0008631900000000, -0.0000133700000000, -0.0000196900000000 ] - [ 0.0000102400000000, -0.0000872400000000, 0.0002521700000000 ] - [ 0.0003774000000000, -0.0000569600000000, -0.0001398500000000 ] - [ -0.0001263500000000, -0.0002822200000000, 0.0002739200000000 ] - [ 0.0003190100000000, -0.0001155800000000, 0.0003166000000000 ] - [ -0.0002922700000000, 0.0000944000000000, -0.0007051600000000 ] - [ -0.0001175600000000, 0.0004097700000000, -0.0000573900000000 ] - [ -0.0002472900000000, 0.0004939100000000, -0.0004241400000000 ] - [ 0.0003929300000000, -0.0001909700000000, 0.0002269400000000 ] - [ 0.0005104200000000, -0.0006602800000000, -0.0000934400000000 ] - [ 0.0000065000000000, -0.0002517400000000, 0.0001409200000000 ] - [ -0.0000035200000000, 0.0000080600000000, 0.0001283200000000 ] - [ 0.0004669500000000, 0.0007263300000000, 0.0001416300000000 ] - [ -0.0056355200000000, -0.0024515200000000, 0.0017700800000000 ] - [ -0.0052713900000000, 0.0019894300000000, 0.0013723700000000 ] - [ -0.0001029300000000, -0.0000225300000000, 0.0002543700000000 ] - [ 0.0002982700000000, 0.0001265200000000, 0.0002204000000000 ] - [ 0.0000386100000000, 0.0000750900000000, 0.0002469500000000 ] - [ 0.0005400000000000, 0.0001523200000000, 0.0001985700000000 ] - [ 0.0001857200000000, 0.0000059700000000, -0.0002224500000000 ] - [ 0.0000497900000000, 0.0000462600000000, 0.0002422700000000 ] - [ 0.0000744100000000, -0.0000766800000000, 0.0002527700000000 ] - [ 0.0001292100000000, 0.0000506700000000, -0.0001199600000000 ] - [ -0.0005340300000000, -0.0000278700000000, 0.0005703400000000 ] - [ -0.0007059200000000, 0.0003170200000000, 0.0004994300000000 ] - [ -0.0000877800000000, 0.0002747700000000, -0.0000226000000000 ] - [ 0.0001509300000000, -0.0001467900000000, -0.0002861600000000 ] - [ -0.0000343000000000, -0.0001097800000000, 0.0000588400000000 ] - [ -0.0085330200000000, -0.0001879700000000, -0.0038944300000000 ] - [ 0.0002878400000000, 0.0000394900000000, 0.0002961900000000 ] - [ -0.0001150600000000, -0.0003486700000000, -0.0003197100000000 ] - [ 0.0002383300000000, 0.0000045100000000, -0.0003544500000000 ] - [ -0.0038814700000000, 0.0002735500000000, -0.0003268800000000 ] - [ 0.0001026200000000, -0.0001292000000000, 0.0002104000000000 ] - [ 0.0008547900000000, -0.0000050100000000, -0.0000117900000000 ] - [ -0.0002616900000000, -0.0003705300000000, -0.0000937500000000 ] - [ 0.0008260100000000, -0.0000838900000000, 0.0003394500000000 ] - [ 0.0004252800000000, -0.0007163300000000, -0.0003136200000000 ] - [ -0.0000825700000000, 0.0000385000000000, 0.0002492300000000 ] - [ -0.0002129700000000, 0.0001225000000000, 0.0001430800000000 ] - [ 0.0001713000000000, -0.0001306900000000, -0.0001751600000000 ] - [ -0.0001490000000000, 0.0001861800000000, -0.0002377300000000 ] - [ -0.0000321400000000, -0.0000762700000000, 0.0002082000000000 ] - [ -0.0032840800000000, -0.0001505900000000, 0.0004905400000000 ] - [ -0.0005295500000000, -0.0001383700000000, 0.0004677200000000 ] - [ -0.0001744500000000, -0.0000239800000000, 0.0002134000000000 ] - [ 0.0008894000000000, 0.0000200100000000, 0.0005533500000000 ] - [ -0.0049822300000000, 0.0014540500000000, 0.0016923500000000 ] - [ 0.0005992500000000, 0.0006760200000000, -0.0004452000000000 ] - [ -0.0001743800000000, -0.0002254100000000, -0.0000148900000000 ] - [ 0.0001450900000000, 0.0000294200000000, 0.0000619600000000 ] - [ -0.0001440800000000, -0.0000424900000000, 0.0003180900000000 ] - [ -0.0000826300000000, -0.0007724000000000, -0.0002395100000000 ] - [ 0.0000028400000000, 0.0009662800000000, -0.0002952900000000 ] - [ 0.0080437600000000, -0.0000753300000000, 0.0001424800000000 ] - [ 0.0082794400000000, 0.0002733000000000, 0.0010813100000000 ] - [ 0.0016027200000000, 0.0039988600000000, -0.0009038500000000 ] - [ -0.0000186200000000, -0.0000388800000000, 0.0004221700000000 ] - [ -0.0004138000000000, -0.0007680500000000, -0.0012291500000000 ] - [ 0.0002840200000000, 0.0002482400000000, -0.0002185800000000 ] - [ -0.0000906800000000, -0.0000455900000000, -0.0002322700000000 ] - [ 0.0013134000000000, 0.0038082000000000, -0.0005929500000000 ] - [ 0.0015125600000000, -0.0000022800000000, 0.0008295600000000 ] - [ -0.0002650400000000, -0.0002052300000000, -0.0002588800000000 ] - [ 0.0000284000000000, -0.0000154800000000, 0.0002972200000000 ] - [ 0.0001119600000000, 0.0000619300000000, 0.0002975600000000 ] - [ 0.0017819700000000, -0.0043237300000000, -0.0005674400000000 ] - [ 0.0000050700000000, 0.0007948900000000, -0.0002168600000000 ] - [ 0.0000534700000000, -0.0000036500000000, -0.0003280300000000 ] - [ -0.0000338800000000, 0.0000481100000000, -0.0002723200000000 ] - [ 0.0016921900000000, -0.0034491600000000, 0.0014715500000000 ] - [ 0.0013213800000000, -0.0000603900000000, 0.0007746700000000 ] - [ -0.0001032100000000, -0.0000026700000000, 0.0001253500000000 ] - [ 0.0000254600000000, -0.0000806400000000, -0.0002470500000000 ] - [ 0.0000267200000000, 0.0000484700000000, 0.0000608700000000 ] - [ -0.0010414100000000, 0.0045734200000000, -0.0018043900000000 ] - [ 0.0003458600000000, 0.0004405000000000, 0.0002314500000000 ] - [ 0.0002637100000000, -0.0000212600000000, 0.0002106200000000 ] - [ -0.0000143900000000, -0.0000008100000000, 0.0005906700000000 ] - [ 0.0001856000000000, -0.0004591000000000, 0.0001859000000000 ] - [ -0.0022196600000000, -0.0013383900000000, 0.0002929300000000 ] - [ -0.0010095400000000, -0.0006564700000000, -0.0001857300000000 ] - [ -0.0006393900000000, -0.0037960800000000, -0.0013582900000000 ] - [ -0.0003543300000000, 0.0007618900000000, -0.0015245400000000 ] - [ 0.0000132200000000, 0.0000097700000000, 0.0002179400000000 ] - [ -0.0002990700000000, 0.0002191800000000, 0.0001810600000000 ] - [ 0.0005766800000000, 0.0000076500000000, 0.0004046700000000 ] - [ -0.0017588100000000, -0.0007000900000000, -0.0006198300000000 ] - [ -0.0003808800000000, -0.0000159100000000, -0.0004552200000000 ] - [ -0.0000980300000000, -0.0000763100000000, -0.0000973700000000 ] - [ -0.0001664300000000, -0.0002817400000000, -0.0001672800000000 ] - [ -0.0018385500000000, -0.0007816600000000, -0.0001613000000000 ] - [ -0.0009308500000000, 0.0008184300000000, 0.0000534100000000 ] - [ 0.0001138200000000, 0.0002358000000000, -0.0001206800000000 ] - [ 0.0002297400000000, 0.0001408500000000, 0.0001861100000000 ] - [ -0.0001803300000000, 0.0005412100000000, 0.0002184500000000 ] - [ -0.0021670500000000, -0.0001137000000000, -0.0005135700000000 ] - [ 0.0003353200000000, 0.0019204900000000, -0.0003888800000000 ] - [ 0.0000502200000000, 0.0000347300000000, 0.0002268300000000 ] - [ 0.0002377300000000, 0.0003047000000000, 0.0002791700000000 ] - [ 0.0000814100000000, 0.0000738700000000, -0.0001218100000000 ] - [ -0.0002827900000000, 0.0000036300000000, -0.0004884900000000 ] - [ -0.0000475800000000, 0.0003033800000000, 0.0001941200000000 ] - [ -0.0002315900000000, -0.0012645500000000, 0.0008525200000000 ] - [ -0.0001768800000000, -0.0002785800000000, -0.0000053500000000 ] - [ 0.0002214300000000, 0.0019228000000000, 0.0003108200000000 ] - [ -0.0001919300000000, -0.0000324600000000, -0.0002073700000000 ] - [ 0.0002278800000000, -0.0005452400000000, -0.0003821800000000 ] - [ -0.0000473600000000, 0.0000100600000000, 0.0000006100000000 ] - [ 0.0002707600000000, 0.0002730100000000, -0.0001720500000000 ] - [ -0.0010381100000000, 0.0007519400000000, -0.0003711800000000 ] - [ -0.0002060300000000, -0.0002965900000000, 0.0002066700000000 ] - [ 0.0000672300000000, -0.0001397500000000, -0.0000515100000000 ] - [ -0.0007199000000000, 0.0041358000000000, -0.0014341000000000 ] - [ -0.0000451800000000, -0.0001020800000000, 0.0001531300000000 ] - [ -0.0009855800000000, -0.0000250200000000, -0.0012830100000000 ] - [ -0.0000938500000000, 0.0002392000000000, 0.0002045200000000 ] - [ -0.0009031300000000, 0.0001444200000000, -0.0005422300000000 ] - [ 0.0000952900000000, -0.0002474800000000, -0.0001187600000000 ] - [ 0.0004160600000000, -0.0017376000000000, -0.0003789500000000 ] - [ -0.0001332500000000, 0.0001509800000000, 0.0004497300000000 ] - [ -0.0002818400000000, 0.0005068300000000, 0.0004053400000000 ] - [ -0.0002644100000000, 0.0014148800000000, -0.0001161000000000 ] - [ 0.0000078000000000, -0.0000140400000000, 0.0004972600000000 ] - [ -0.0000654000000000, -0.0011117800000000, -0.0000347500000000 ] - [ -0.0000445300000000, 0.0000672600000000, 0.0001506400000000 ] - [ -0.0076721300000000, 0.0000527500000000, 0.0019691800000000 ] - [ 0.0001956600000000, -0.0001392000000000, -0.0002140000000000 ] - [ 0.0001176300000000, -0.0000046900000000, 0.0001499300000000 ] - [ -0.0000144700000000, -0.0001761300000000, 0.0002276600000000 ] - [ 0.0000103300000000, 0.0000208200000000, -0.0004027000000000 ] - [ -0.0002676000000000, -0.0004581500000000, 0.0003980000000000 ] - [ 0.0005310800000000, 0.0001003400000000, 0.0001638000000000 ] - [ -0.0002461700000000, 0.0000301600000000, 0.0001819300000000 ] - [ 0.0000278300000000, -0.0002819100000000, 0.0001784800000000 ] - [ 0.0000918700000000, 0.0002976000000000, 0.0002599400000000 ] - [ -0.0000445000000000, 0.0000419800000000, -0.0001369900000000 ] - [ -0.0002865300000000, -0.0000533400000000, -0.0006643500000000 ] - [ 0.0000366800000000, -0.0000067600000000, -0.0000991200000000 ] - [ -0.0003444300000000, 0.0000802300000000, -0.0002717500000000 ] - [ -0.0022999400000000, -0.0000186400000000, 0.0007885400000000 ] - [ 0.0007747000000000, -0.0024033500000000, -0.0006579700000000 ] - [ -0.0004862200000000, -0.0032289300000000, -0.0018377400000000 ] - [ 0.0000404500000000, -0.0001787700000000, -0.0000903900000000 ] - [ -0.0004304000000000, 0.0000132100000000, -0.0004298000000000 ] - [ -0.0079986700000000, -0.0000632500000000, 0.0020575100000000 ] - [ -0.0023058900000000, 0.0013509600000000, -0.0000321000000000 ] - [ -0.0017896000000000, 0.0007552200000000, -0.0001511900000000 ] - [ -0.0000451800000000, -0.0000618500000000, 0.0001519800000000 ] - [ 0.0003934400000000, -0.0001198800000000, 0.0001841500000000 ] - [ -0.0000329200000000, 0.0000476600000000, 0.0001677800000000 ] - [ -0.0000544200000000, -0.0000498000000000, 0.0002191600000000 ] - [ 0.0000636000000000, 0.0005607500000000, 0.0005750800000000 ] - [ -0.0003655500000000, 0.0000222300000000, -0.0001732700000000 ] - [ 0.0000885000000000, -0.0002291500000000, 0.0006854800000000 ] - [ 0.0000255600000000, -0.0000018600000000, 0.0001651400000000 ] - [ -0.0002610000000000, -0.0001842300000000, 0.0001935200000000 ] - [ -0.0000284700000000, 0.0002063000000000, -0.0000324500000000 ] - [ 0.0001031100000000, -0.0005581200000000, 0.0002225900000000 ] - [ 0.0365107600000000, -0.0028414600000000, -0.0011382600000000 ] - [ -0.0000787500000000, -0.0001007600000000, 0.0000646600000000 ] - [ 0.0000447100000000, 0.0001069900000000, -0.0001512600000000 ] - [ -0.0002138900000000, -0.0000176900000000, 0.0001409500000000 ] - [ 0.0029288700000000, -0.0000097400000000, -0.0004160100000000 ] - [ -0.0001738200000000, -0.0000033600000000, 0.0004408800000000 ] - [ -0.0002674300000000, -0.0001637600000000, 0.0000195900000000 ] - [ 0.0000905800000000, 0.0002053200000000, 0.0002186200000000 ] - [ -0.0004330900000000, 0.0000317100000000, -0.0000344900000000 ] - [ -0.0002174100000000, -0.0001101300000000, -0.0003811900000000 ] - [ -0.0004423800000000, -0.0000323300000000, -0.0000131300000000 ] - [ -0.0002296900000000, 0.0001982600000000, 0.0000155300000000 ] - [ -0.0002286200000000, 0.0002034800000000, -0.0003466500000000 ] - [ 0.0001284500000000, -0.0001738400000000, 0.0001366400000000 ] - [ 0.0025557400000000, 0.0000231200000000, 0.0001808900000000 ] - [ 0.0001276700000000, -0.0000148400000000, 0.0001115500000000 ] - [ 0.0000239700000000, -0.0001253800000000, -0.0001094400000000 ] - [ -0.0000467400000000, 0.0001179900000000, 0.0001132700000000 ]- atom: 172 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000189100000000, 0.0001342800000000, -0.0001289200000000 ] - [ -0.0005919700000000, 0.0010253300000000, -0.0008293200000000 ] - [ -0.0000158500000000, 0.0000274600000000, -0.0001825200000000 ] - [ 0.0000863600000000, -0.0000744700000000, 0.0000760500000000 ] - [ -0.0001430200000000, 0.0002477300000000, -0.0005180300000000 ] - [ -0.0000857900000000, -0.0000458100000000, -0.0000803700000000 ] - [ 0.0014353700000000, 0.0000791200000000, -0.0008827500000000 ] - [ -0.0000195100000000, -0.0003041700000000, -0.0005775300000000 ] - [ -0.0000951400000000, 0.0001647900000000, -0.0003831100000000 ] - [ -0.0001102400000000, 0.0000634000000000, -0.0000558400000000 ] - [ 0.0000351700000000, 0.0000471400000000, 0.0000748500000000 ] - [ -0.0000516400000000, -0.0001972200000000, -0.0004237100000000 ] - [ -0.0001247100000000, -0.0001588400000000, 0.0002218400000000 ] - [ 0.0000105000000000, -0.0000999500000000, -0.0000748400000000 ] - [ 0.0001966200000000, -0.0000538800000000, -0.0004237100000000 ] - [ -0.0000401100000000, -0.0000132600000000, 0.0000954300000000 ] - [ 0.0000315400000000, 0.0000281000000000, 0.0000954300000000 ] - [ 0.0012016000000000, 0.0000728300000000, -0.0009773000000000 ] - [ 0.0000481800000000, 0.0001464600000000, 0.0005528400000000 ] - [ -0.0000037300000000, 0.0002355100000000, 0.0002237000000000 ] - [ 0.0000825700000000, 0.0000513900000000, -0.0000803700000000 ] - [ 0.0001021200000000, 0.0000073000000000, 0.0005641800000000 ] - [ 0.0001137800000000, -0.0002130200000000, -0.0001304000000000 ] - [ 0.0000358200000000, 0.0000744000000000, -0.0002062900000000 ] - [ 0.0001108100000000, 0.0000578600000000, 0.0007834500000000 ] - [ -0.0023691700000000, -0.0036918200000000, 0.0069143500000000 ] - [ -0.0016367400000000, 0.0028349200000000, 0.0061988400000000 ] - [ -0.0001068400000000, -0.0000665400000000, -0.0001858400000000 ] - [ 0.0001325000000000, 0.0001295300000000, -0.0001092300000000 ] - [ 0.0000103400000000, 0.0001006600000000, -0.0000760500000000 ] - [ 0.0002786800000000, -0.0000358600000000, -0.0000303100000000 ] - [ 0.0002731700000000, -0.0001351900000000, -0.0005775300000000 ] - [ 0.0001110500000000, 0.0000592600000000, -0.0001858400000000 ] - [ 0.0000813100000000, -0.0000590700000000, -0.0000748400000000 ] - [ 0.0001970800000000, 0.0001778200000000, -0.0004858600000000 ] - [ -0.0006638700000000, -0.0010042000000000, -0.0009773000000000 ] - [ -0.0007657600000000, 0.0013263400000000, -0.0010841200000000 ] - [ -0.0001617600000000, 0.0001257800000000, -0.0004873100000000 ] - [ -0.0001082800000000, -0.0002592700000000, -0.0000303100000000 ] - [ -0.0000768600000000, -0.0001316400000000, -0.0002692600000000 ] - [ 0.0043817900000000, 0.0002058500000000, 0.0069143500000000 ] - [ 0.0000213100000000, -0.0001120200000000, 0.0000760500000000 ] - [ -0.0000711800000000, -0.0001521300000000, 0.0004047700000000 ] - [ 0.0000002200000000, 0.0001271700000000, -0.0000558400000000 ] - [ 0.0002581800000000, 0.0002585600000000, 0.0040450100000000 ] - [ 0.0001275900000000, -0.0002050500000000, -0.0001304000000000 ] - [ -0.0002020900000000, 0.0001209800000000, 0.0002237000000000 ] - [ -0.0000573800000000, -0.0000847900000000, 0.0005641800000000 ] - [ -0.0001509300000000, 0.0000315000000000, 0.0005528400000000 ] - [ 0.0001673400000000, -0.0000144200000000, 0.0004047700000000 ] - [ -0.0000923400000000, 0.0000413700000000, -0.0000760500000000 ] - [ -0.0001068300000000, 0.0000835200000000, -0.0001289200000000 ] - [ -0.0000584000000000, -0.0000068900000000, 0.0000748500000000 ] - [ -0.0000280500000000, 0.0002029800000000, -0.0004873100000000 ] - [ -0.0000823400000000, 0.0000061900000000, -0.0002062900000000 ] - [ -0.0003530100000000, -0.0000943100000000, 0.0040450100000000 ] - [ -0.0007862000000000, -0.0012035000000000, -0.0008827500000000 ] - [ -0.0001784200000000, -0.0000499800000000, -0.0001092300000000 ] - [ -0.0001055100000000, -0.0000670400000000, 0.0007834500000000 ] - [ -0.0014857400000000, 0.0025733800000000, 0.0069545700000000 ] - [ 0.0001999200000000, 0.0000285800000000, 0.0002218400000000 ] - [ -0.0002525400000000, -0.0000817700000000, -0.0004858600000000 ] - [ 0.0001524400000000, 0.0000007400000000, -0.0002692600000000 ] - [ 0.0000278300000000, -0.0000482100000000, -0.0016539900000000 ] - [ 0.0008711900000000, -0.0015089400000000, -0.0006267500000000 ] - [ 0.0009056200000000, 0.0016482700000000, -0.0006735500000000 ] - [ 0.0040471200000000, -0.0000777500000000, 0.0037286800000000 ] - [ 0.0036874000000000, 0.0003340500000000, 0.0038605900000000 ] - [ -0.0019562200000000, -0.0035437800000000, 0.0037286800000000 ] - [ 0.0000073400000000, -0.0000127100000000, -0.0005510200000000 ] - [ 0.0004591100000000, -0.0007952100000000, -0.0005203700000000 ] - [ 0.0001293800000000, 0.0002118700000000, -0.0010625700000000 ] - [ -0.0002481700000000, -0.0000061100000000, -0.0010625700000000 ] - [ -0.0021330000000000, -0.0030263600000000, 0.0038605900000000 ] - [ -0.0018802500000000, 0.0000398400000000, -0.0006735500000000 ] - [ 0.0000706700000000, -0.0001224000000000, -0.0019590200000000 ] - [ -0.0000580200000000, -0.0000014300000000, -0.0004221800000000 ] - [ 0.0000302500000000, 0.0000495300000000, -0.0004221800000000 ] - [ -0.0019218600000000, 0.0033287600000000, 0.0048122500000000 ] - [ 0.0009370500000000, 0.0015160300000000, -0.0005898300000000 ] - [ -0.0000338800000000, 0.0000030900000000, -0.0013543500000000 ] - [ 0.0000142700000000, 0.0000308800000000, -0.0013543500000000 ] - [ -0.0012910700000000, 0.0022361900000000, 0.0006979200000000 ] - [ -0.0017814400000000, -0.0000535000000000, -0.0005898300000000 ] - [ -0.0001554800000000, -0.0000006500000000, 0.0001257200000000 ] - [ 0.0000783000000000, 0.0001343200000000, 0.0001257200000000 ] - [ 0.0000540300000000, -0.0000935800000000, 0.0004035500000000 ] - [ 0.0017934500000000, -0.0031063400000000, -0.0003390900000000 ] - [ 0.0001842400000000, 0.0006016300000000, 0.0002706500000000 ] - [ 0.0003782500000000, -0.0000018500000000, 0.0004908300000000 ] - [ -0.0000114200000000, -0.0000004400000000, 0.0012276300000000 ] - [ -0.0006250400000000, -0.0011482700000000, 0.0003970000000000 ] - [ -0.0008585500000000, -0.0002613000000000, -0.0006930700000000 ] - [ 0.0006555700000000, 0.0006128800000000, -0.0006930700000000 ] - [ 0.0022657400000000, 0.0037521300000000, -0.0013174600000000 ] - [ 0.0002875200000000, -0.0004980000000000, -0.0006679900000000 ] - [ 0.0000538500000000, -0.0000003100000000, 0.0007920600000000 ] - [ -0.0002771700000000, 0.0002511400000000, 0.0004689000000000 ] - [ 0.0006681000000000, 0.0000035100000000, 0.0007612100000000 ] - [ 0.0000875000000000, 0.0006692400000000, -0.0012048200000000 ] - [ 0.0005730900000000, -0.0003800400000000, -0.0003195000000000 ] - [ -0.0000437900000000, -0.0000788000000000, 0.0003492400000000 ] - [ -0.0006211900000000, -0.0002853200000000, -0.0003349500000000 ] - [ -0.0006233300000000, 0.0002588500000000, -0.0012048200000000 ] - [ 0.0009935500000000, -0.0005009400000000, -0.0003889500000000 ] - [ 0.0000950300000000, 0.0001189800000000, 0.0001478600000000 ] - [ 0.0003516000000000, 0.0001181900000000, 0.0004691200000000 ] - [ -0.0002620800000000, 0.0004539300000000, 0.0001817500000000 ] - [ -0.0002588800000000, -0.0001562800000000, -0.0025130800000000 ] - [ 0.0000935500000000, -0.0010460200000000, -0.0010861800000000 ] - [ -0.0000218900000000, 0.0000379100000000, 0.0012191800000000 ] - [ -0.0006135100000000, 0.0010626300000000, 0.0005852600000000 ] - [ -0.0000509100000000, 0.0000881700000000, 0.0014524500000000 ] - [ 0.0003832200000000, -0.0000093900000000, 0.0006176000000000 ] - [ -0.0000789000000000, 0.0003656000000000, 0.0004689000000000 ] - [ 0.0000697200000000, 0.0001499100000000, -0.0016702700000000 ] - [ -0.0006685300000000, -0.0002769300000000, -0.0001799700000000 ] - [ -0.0000629400000000, -0.0011109100000000, -0.0003889500000000 ] - [ 0.0000000300000000, 0.0000024400000000, 0.0000996700000000 ] - [ 0.0000425800000000, -0.0006863300000000, -0.0003195000000000 ] - [ -0.0001729000000000, -0.0000035500000000, 0.0005637700000000 ] - [ 0.0000895200000000, 0.0001479600000000, 0.0005637700000000 ] - [ 0.0008591000000000, -0.0006040300000000, -0.0010861800000000 ] - [ -0.0001875200000000, -0.0003285000000000, 0.0004908300000000 ] - [ -0.0001135000000000, -0.0003033000000000, 0.0003603700000000 ] - [ 0.0027867400000000, -0.0048267700000000, -0.0009959600000000 ] - [ 0.0000102400000000, 0.0000143700000000, 0.0005106600000000 ] - [ 0.0013069500000000, -0.0000328300000000, 0.0003970000000000 ] - [ -0.0003033500000000, 0.0005254100000000, 0.0008258300000000 ] - [ 0.0012268500000000, 0.0001533600000000, 0.0009574800000000 ] - [ 0.0000668200000000, -0.0001319300000000, 0.0001507000000000 ] - [ 0.0002782500000000, 0.0009536900000000, -0.0009452200000000 ] - [ -0.0006131500000000, 0.0001412600000000, 0.0002706500000000 ] - [ -0.0003387900000000, 0.0005868000000000, 0.0007478600000000 ] - [ -0.0000504300000000, 0.0000873400000000, -0.0028194700000000 ] - [ 0.0000060900000000, 0.0000096800000000, 0.0012276300000000 ] - [ 0.0002647800000000, 0.0001460500000000, -0.0025130800000000 ] - [ 0.0000420100000000, -0.0000295700000000, 0.0005356100000000 ] - [ -0.0043823100000000, -0.0000861200000000, -0.0013174600000000 ] - [ 0.0000396700000000, -0.0000687100000000, 0.0004255800000000 ] - [ -0.0000437300000000, -0.0000206200000000, 0.0005356300000000 ] - [ -0.0001834800000000, -0.0003365800000000, 0.0006176000000000 ] - [ -0.0000197500000000, 0.0000342000000000, 0.0002367600000000 ] - [ -0.0003370900000000, -0.0005768300000000, 0.0007612100000000 ] - [ -0.0001010200000000, 0.0003862300000000, 0.0001289400000000 ] - [ 0.0006651100000000, -0.0003333300000000, 0.0002681600000000 ] - [ -0.0001980900000000, -0.0005701000000000, 0.0008039600000000 ] - [ -0.0002839700000000, 0.0002806000000000, 0.0001289400000000 ] - [ -0.0000021300000000, 0.0000011900000000, 0.0000996700000000 ] - [ 0.0003194200000000, -0.0000533500000000, 0.0003603700000000 ] - [ 0.0000901400000000, -0.0000014800000000, 0.0003492400000000 ] - [ 0.0005740900000000, 0.0004405000000000, -0.0001799700000000 ] - [ -0.0001646900000000, 0.0000145800000000, -0.0016702700000000 ] - [ 0.0005395500000000, 0.0004001900000000, -0.0011985400000000 ] - [ 0.0028083000000000, 0.0048363200000000, -0.0012391400000000 ] - [ 0.0000808500000000, -0.0001238300000000, 0.0001507000000000 ] - [ 0.0005576900000000, 0.0003953100000000, -0.0003349500000000 ] - [ -0.0055925200000000, -0.0000139000000000, -0.0012391400000000 ] - [ -0.0009650400000000, 0.0002358700000000, -0.0009452200000000 ] - [ -0.0006163400000000, -0.0002671700000000, -0.0011985400000000 ] - [ 0.0000397200000000, 0.0000275600000000, 0.0005356300000000 ] - [ 0.0005927600000000, -0.0001134900000000, 0.0008039600000000 ] - [ 0.0000046100000000, -0.0000511700000000, 0.0005356100000000 ] - [ -0.0000266600000000, -0.0000467900000000, 0.0007920600000000 ] - [ -0.0002767400000000, 0.0004793200000000, -0.0001060700000000 ] - [ -0.0001505500000000, -0.0000228100000000, 0.0001478600000000 ] - [ -0.0007462400000000, -0.0009858100000000, 0.0009574800000000 ] - [ -0.0000175700000000, -0.0000016800000000, 0.0005106600000000 ] - [ -0.0002781600000000, -0.0002454000000000, 0.0004691200000000 ] - [ -0.0002121900000000, 0.0003675200000000, 0.0003723000000000 ] - [ -0.0000438800000000, -0.0007426700000000, 0.0002681600000000 ] - [ 0.0009737400000000, -0.0016865700000000, -0.0541804100000000 ] - [ -0.0000331200000000, -0.0001057200000000, 0.0004431100000000 ] - [ 0.0001233500000000, -0.0002136600000000, 0.0003750700000000 ] - [ -0.0002006800000000, 0.0000496600000000, 0.0004920900000000 ] - [ 0.0004307000000000, -0.0007459900000000, 0.0115044100000000 ] - [ -0.0002202300000000, -0.0000086600000000, 0.0003169300000000 ] - [ -0.0000214500000000, -0.0000013900000000, -0.0001534600000000 ] - [ 0.0000573300000000, 0.0001986300000000, 0.0004920900000000 ] - [ 0.0000310700000000, 0.0000299400000000, -0.0005898500000000 ] - [ 0.0000217500000000, 0.0000251700000000, -0.0004970300000000 ] - [ -0.0000414700000000, -0.0000119400000000, -0.0005898500000000 ] - [ 0.0000119300000000, 0.0000178800000000, -0.0001534600000000 ] - [ -0.0000326700000000, -0.0000062500000000, -0.0004970300000000 ] - [ 0.0001369100000000, -0.0002371400000000, 0.0004922200000000 ] - [ -0.0006526400000000, 0.0011304100000000, 0.0090568800000000 ] - [ 0.0001081200000000, -0.0000241800000000, 0.0004431100000000 ] - [ 0.0001176200000000, 0.0001864000000000, 0.0003169300000000 ] - [ -0.0000787900000000, 0.0001364600000000, 0.0004449100000000 ]- atom: 172 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000716000000000, 0.0002833400000000, 0.0005508300000000 ] - [ 0.0004663600000000, -0.0008077500000000, 0.0011767000000000 ] - [ -0.0000390300000000, 0.0000676000000000, 0.0004547900000000 ] - [ -0.0000606900000000, -0.0002150900000000, 0.0001794700000000 ] - [ -0.0001088000000000, 0.0001884500000000, 0.0000800500000000 ] - [ -0.0001332500000000, -0.0003454700000000, 0.0000717500000000 ] - [ -0.0009781900000000, -0.0000739600000000, 0.0008718000000000 ] - [ -0.0002359300000000, -0.0001337300000000, 0.0001412700000000 ] - [ -0.0000459700000000, 0.0000796200000000, 0.0004912500000000 ] - [ -0.0001232300000000, 0.0003246100000000, 0.0000454800000000 ] - [ -0.0000110100000000, 0.0002493700000000, 0.0001780400000000 ] - [ -0.0000775900000000, -0.0002311500000000, 0.0001751900000000 ] - [ -0.0000635900000000, -0.0002638900000000, -0.0008152600000000 ] - [ 0.0000186700000000, -0.0000663800000000, 0.0005694200000000 ] - [ 0.0002389700000000, -0.0000483800000000, 0.0001751900000000 ] - [ -0.0000921000000000, -0.0002018000000000, 0.0002495400000000 ] - [ 0.0002208100000000, -0.0000211300000000, 0.0002495400000000 ] - [ -0.0009677600000000, 0.0000816800000000, 0.0012350700000000 ] - [ -0.0000788200000000, 0.0001372500000000, -0.0004261700000000 ] - [ -0.0001824600000000, 0.0001983400000000, -0.0008167100000000 ] - [ 0.0003658100000000, -0.0000573400000000, 0.0000717500000000 ] - [ 0.0001639500000000, 0.0001119300000000, -0.0004419400000000 ] - [ -0.0000608500000000, -0.0002110600000000, 0.0005511400000000 ] - [ 0.0000814400000000, -0.0000715800000000, 0.0004753400000000 ] - [ 0.0001637600000000, -0.0000540500000000, -0.0001822900000000 ] - [ 0.0019425500000000, 0.0030544000000000, -0.0073359300000000 ] - [ 0.0014012100000000, -0.0024269700000000, -0.0064230600000000 ] - [ -0.0000452800000000, 0.0000051100000000, 0.0006803700000000 ] - [ 0.0002072000000000, 0.0001311000000000, 0.0005310200000000 ] - [ 0.0000117400000000, 0.0000658900000000, 0.0005683300000000 ] - [ 0.0004721600000000, 0.0000296400000000, 0.0000712600000000 ] - [ 0.0002337800000000, 0.0001374500000000, 0.0001412700000000 ] - [ 0.0000182100000000, 0.0000417700000000, 0.0006803700000000 ] - [ 0.0000481600000000, -0.0000493600000000, 0.0005694200000000 ] - [ 0.0002414200000000, -0.0000761400000000, 0.0002364000000000 ] - [ 0.0004131400000000, 0.0008789400000000, 0.0012350700000000 ] - [ 0.0003870800000000, -0.0006704500000000, 0.0011232400000000 ] - [ 0.0000372300000000, 0.0002982400000000, 0.0002344900000000 ] - [ -0.0002617500000000, -0.0003940800000000, 0.0000712600000000 ] - [ -0.0000654300000000, -0.0001035200000000, 0.0003809900000000 ] - [ -0.0036164600000000, -0.0001551000000000, -0.0073359300000000 ] - [ 0.0002166200000000, -0.0000549900000000, 0.0001794700000000 ] - [ -0.0000484100000000, -0.0000460700000000, -0.0007458900000000 ] - [ -0.0002195100000000, 0.0002690200000000, 0.0000454800000000 ] - [ -0.0002136800000000, -0.0003986800000000, -0.0040431000000000 ] - [ 0.0002132100000000, -0.0000528300000000, 0.0005511400000000 ] - [ -0.0000805400000000, 0.0002571900000000, -0.0008167100000000 ] - [ -0.0001789100000000, -0.0000860200000000, -0.0004419400000000 ] - [ -0.0000794500000000, 0.0001368800000000, -0.0004261700000000 ] - [ 0.0000641000000000, 0.0000188900000000, -0.0007458900000000 ] - [ -0.0000629400000000, 0.0000227800000000, 0.0005683300000000 ] - [ -0.0002811800000000, 0.0000796700000000, 0.0005508300000000 ] - [ -0.0002104600000000, 0.0001342200000000, 0.0001780400000000 ] - [ -0.0002769000000000, 0.0001168800000000, 0.0002344900000000 ] - [ 0.0000212700000000, -0.0001063200000000, 0.0004753400000000 ] - [ 0.0004521100000000, -0.0000142900000000, -0.0040431000000000 ] - [ 0.0005531400000000, 0.0008101600000000, 0.0008718000000000 ] - [ -0.0002171400000000, -0.0001138900000000, 0.0005310200000000 ] - [ -0.0000350700000000, -0.0001688500000000, -0.0001822900000000 ] - [ 0.0014989400000000, -0.0025962400000000, -0.0065665100000000 ] - [ 0.0002603300000000, -0.0000768800000000, -0.0008152600000000 ] - [ -0.0000547700000000, -0.0002471500000000, 0.0002364000000000 ] - [ 0.0001223700000000, 0.0000049000000000, 0.0003809900000000 ] - [ 0.0000254000000000, -0.0000439900000000, 0.0022517400000000 ] - [ -0.0009415800000000, 0.0016308600000000, 0.0008575700000000 ] - [ -0.0008980300000000, -0.0016393700000000, 0.0008398000000000 ] - [ -0.0040310800000000, 0.0000780700000000, -0.0047272800000000 ] - [ -0.0034234200000000, 0.0001535800000000, -0.0039675600000000 ] - [ 0.0019479300000000, 0.0035300500000000, -0.0047272800000000 ] - [ -0.0000070400000000, 0.0000122000000000, 0.0014532200000000 ] - [ -0.0004562200000000, 0.0007901900000000, -0.0001454400000000 ] - [ 0.0001073600000000, 0.0001963800000000, 0.0005996000000000 ] - [ -0.0002237500000000, 0.0000052100000000, 0.0005996000000000 ] - [ 0.0015787000000000, 0.0030415600000000, -0.0039675600000000 ] - [ 0.0018687500000000, -0.0000419700000000, 0.0008398000000000 ] - [ 0.0001614700000000, -0.0002796700000000, 0.0014854300000000 ] - [ -0.0000521800000000, 0.0000005000000000, 0.0010135000000000 ] - [ 0.0000256600000000, 0.0000454400000000, 0.0010135000000000 ] - [ 0.0022138700000000, -0.0038345400000000, -0.0049150500000000 ] - [ -0.0008064400000000, -0.0015237700000000, 0.0008220200000000 ] - [ 0.0000409600000000, 0.0000011800000000, 0.0007701000000000 ] - [ -0.0000215000000000, -0.0000348800000000, 0.0007701000000000 ] - [ 0.0012808500000000, -0.0022185000000000, -0.0000163900000000 ] - [ 0.0017228400000000, -0.0000634900000000, 0.0008220200000000 ] - [ 0.0001576400000000, -0.0000011200000000, -0.0003650900000000 ] - [ -0.0000778500000000, -0.0001370800000000, -0.0003650900000000 ] - [ -0.0000556300000000, 0.0000963600000000, -0.0000751100000000 ] - [ -0.0016693600000000, 0.0028914200000000, 0.0006231100000000 ] - [ 0.0002381800000000, -0.0004346900000000, 0.0002999900000000 ] - [ 0.0002564100000000, -0.0000004900000000, -0.0000827200000000 ] - [ 0.0000120700000000, -0.0000003300000000, -0.0001919500000000 ] - [ 0.0008167200000000, 0.0014122500000000, -0.0010477000000000 ] - [ 0.0010102900000000, 0.0005291900000000, 0.0005878500000000 ] - [ -0.0009634400000000, -0.0006103400000000, 0.0005878500000000 ] - [ -0.0020058800000000, -0.0036097100000000, 0.0007960000000000 ] - [ -0.0002848300000000, 0.0004933400000000, -0.0001064300000000 ] - [ 0.0000349600000000, -0.0000020600000000, -0.0003492700000000 ] - [ -0.0002188900000000, 0.0001308400000000, -0.0001124500000000 ] - [ 0.0004392500000000, -0.0000007200000000, 0.0000249400000000 ] - [ -0.0017459300000000, -0.0007202700000000, 0.0002578900000000 ] - [ -0.0003732200000000, 0.0001064500000000, -0.0003336700000000 ] - [ -0.0000443200000000, -0.0000811000000000, -0.0005512700000000 ] - [ 0.0002813300000000, 0.0003182800000000, -0.0003194100000000 ] - [ 0.0014967400000000, 0.0011518800000000, 0.0002578900000000 ] - [ -0.0012213300000000, 0.0004989300000000, 0.0006556000000000 ] - [ 0.0001898100000000, 0.0003379100000000, -0.0003886000000000 ] - [ 0.0002200200000000, 0.0001236400000000, -0.0001126000000000 ] - [ 0.0001406400000000, -0.0002435900000000, -0.0001782200000000 ] - [ 0.0001254000000000, -0.0000732800000000, 0.0021477100000000 ] - [ -0.0001003000000000, 0.0013500900000000, 0.0005740200000000 ] - [ -0.0000207100000000, 0.0000358700000000, -0.0007735600000000 ] - [ 0.0008412200000000, -0.0014570400000000, -0.0008996900000000 ] - [ -0.0000377500000000, 0.0000653900000000, -0.0016616600000000 ] - [ -0.0003819100000000, 0.0000109600000000, -0.0006508400000000 ] - [ -0.0000038600000000, 0.0002549800000000, -0.0001124500000000 ] - [ -0.0000664100000000, -0.0001488700000000, 0.0033013800000000 ] - [ 0.0002222400000000, 0.0002801900000000, -0.0001326800000000 ] - [ 0.0001785800000000, 0.0013071600000000, 0.0006556000000000 ] - [ -0.0002070600000000, -0.0000068200000000, -0.0004249900000000 ] - [ 0.0000944300000000, 0.0003764400000000, -0.0003336700000000 ] - [ -0.0003530700000000, 0.0000164500000000, -0.0007994800000000 ] - [ 0.0001622900000000, 0.0003139900000000, -0.0007994800000000 ] - [ -0.0011190600000000, 0.0007619000000000, 0.0005740200000000 ] - [ -0.0001277800000000, -0.0002223000000000, -0.0000827200000000 ] - [ 0.0002382900000000, 0.0003077200000000, -0.0008689800000000 ] - [ -0.0026343600000000, 0.0045628500000000, 0.0008788100000000 ] - [ -0.0000883000000000, -0.0001598200000000, -0.0002029600000000 ] - [ -0.0016314100000000, -0.0000011800000000, -0.0010477000000000 ] - [ -0.0000116800000000, 0.0000202300000000, -0.0004209900000000 ] - [ -0.0016010900000000, 0.0001298100000000, -0.0003869800000000 ] - [ 0.0001889500000000, -0.0003420200000000, -0.0003909200000000 ] - [ -0.0000131500000000, -0.0011007600000000, 0.0004337100000000 ] - [ 0.0002573600000000, -0.0004236200000000, 0.0002999900000000 ] - [ -0.0002162800000000, 0.0003746100000000, 0.0000386000000000 ] - [ -0.0000871100000000, 0.0001508800000000, 0.0024556800000000 ] - [ -0.0000057500000000, -0.0000106100000000, -0.0001919500000000 ] - [ 0.0000007600000000, -0.0001452400000000, 0.0021477100000000 ] - [ -0.0001237300000000, 0.0001788900000000, -0.0002296100000000 ] - [ 0.0041290400000000, -0.0000677100000000, 0.0007960000000000 ] - [ 0.0000679500000000, -0.0001176900000000, -0.0007498500000000 ] - [ 0.0002180900000000, 0.0000239500000000, -0.0002308600000000 ] - [ 0.0001814600000000, 0.0003362200000000, -0.0006508400000000 ] - [ 0.0000184800000000, -0.0000320100000000, -0.0011158000000000 ] - [ -0.0002190000000000, -0.0003807600000000, 0.0000249400000000 ] - [ 0.0003390300000000, -0.0003839100000000, -0.0001258300000000 ] - [ -0.0002457900000000, 0.0001626200000000, 0.0003031800000000 ] - [ 0.0001162800000000, -0.0000545900000000, -0.0004502700000000 ] - [ 0.0001629600000000, -0.0004855700000000, -0.0001258300000000 ] - [ 0.0001094400000000, 0.0001759100000000, -0.0004249900000000 ] - [ -0.0003856400000000, -0.0000525000000000, -0.0008689800000000 ] - [ 0.0000923900000000, -0.0000021700000000, -0.0005512700000000 ] - [ -0.0003537800000000, -0.0000523700000000, -0.0001326800000000 ] - [ 0.0001621300000000, -0.0000169200000000, 0.0033013800000000 ] - [ 0.0003335700000000, -0.0018144400000000, 0.0002517800000000 ] - [ -0.0020186500000000, -0.0033771700000000, 0.0003017400000000 ] - [ 0.0002017300000000, -0.0003346400000000, -0.0003909200000000 ] - [ -0.0004163100000000, -0.0000845000000000, -0.0003194100000000 ] - [ 0.0039340400000000, 0.0000596200000000, 0.0003017400000000 ] - [ 0.0009598600000000, -0.0005390000000000, 0.0004337100000000 ] - [ 0.0014045700000000, -0.0011961000000000, 0.0002517800000000 ] - [ -0.0001297900000000, -0.0001769000000000, -0.0002308600000000 ] - [ -0.0000108600000000, -0.0001280000000000, -0.0004502700000000 ] - [ -0.0000930500000000, 0.0001966000000000, -0.0002296100000000 ] - [ -0.0000156900000000, -0.0000313000000000, -0.0003492700000000 ] - [ 0.0002776600000000, -0.0004809300000000, 0.0000144600000000 ] - [ -0.0003875400000000, 0.0000045800000000, -0.0003886000000000 ] - [ 0.0006881300000000, 0.0014514900000000, -0.0003869800000000 ] - [ 0.0001825500000000, -0.0000034400000000, -0.0002029600000000 ] - [ -0.0002170900000000, -0.0001287200000000, -0.0001126000000000 ] - [ 0.0001486300000000, -0.0002574300000000, -0.0008803900000000 ] - [ -0.0000179400000000, 0.0002941700000000, 0.0003031800000000 ] - [ -0.0010168600000000, 0.0017612600000000, 0.0541255300000000 ] - [ -0.0000848300000000, -0.0000956700000000, -0.0002713000000000 ] - [ -0.0001141000000000, 0.0001976300000000, -0.0002147200000000 ] - [ -0.0002669500000000, -0.0000463700000000, -0.0001607700000000 ] - [ -0.0004145200000000, 0.0007179600000000, -0.0116809200000000 ] - [ 0.0002275100000000, 0.0000113700000000, -0.0001575300000000 ] - [ -0.0000282300000000, 0.0000010300000000, 0.0002162300000000 ] - [ 0.0001736400000000, 0.0002080000000000, -0.0001607700000000 ] - [ 0.0000155500000000, 0.0000449400000000, 0.0005428100000000 ] - [ -0.0000149300000000, -0.0000058600000000, -0.0002195700000000 ] - [ -0.0000467000000000, 0.0000090000000000, 0.0005428100000000 ] - [ 0.0000132200000000, 0.0000249600000000, 0.0002162300000000 ] - [ 0.0000125400000000, 0.0000100000000000, -0.0002195700000000 ] - [ 0.0000953500000000, -0.0001651600000000, -0.0001601800000000 ] - [ 0.0006448600000000, -0.0011169300000000, -0.0096057100000000 ] - [ 0.0001252700000000, 0.0000256300000000, -0.0002713000000000 ] - [ -0.0001236000000000, -0.0001913500000000, -0.0001575300000000 ] - [ -0.0000389700000000, 0.0000675000000000, -0.0002737000000000 ]- atom: 173 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0049932800000000, -0.0015188700000000, 0.0017567100000000 ] - [ 0.0000107700000000, -0.0001369600000000, -0.0002674300000000 ] - [ 0.0000299700000000, -0.0001613400000000, 0.0000800100000000 ] - [ 0.0000027600000000, -0.0000848600000000, 0.0004471300000000 ] - [ -0.0000564600000000, 0.0000548800000000, -0.0001219500000000 ] - [ -0.0001039700000000, -0.0001644800000000, -0.0000239300000000 ] - [ 0.0002890300000000, 0.0000015500000000, 0.0001065000000000 ] - [ 0.0002138400000000, -0.0002565800000000, 0.0001136200000000 ] - [ -0.0009623700000000, 0.0002494500000000, 0.0003719000000000 ] - [ -0.0001089400000000, 0.0001686900000000, -0.0000268200000000 ] - [ -0.0001066400000000, 0.0003786800000000, 0.0002279400000000 ] - [ -0.0000241800000000, -0.0000698900000000, 0.0000121200000000 ] - [ -0.0000884200000000, -0.0001821800000000, -0.0003078100000000 ] - [ 0.0000771700000000, 0.0001616400000000, 0.0000982100000000 ] - [ 0.0006024500000000, -0.0000435800000000, -0.0009046300000000 ] - [ -0.0001877600000000, -0.0003639400000000, 0.0002623300000000 ] - [ 0.0003965600000000, 0.0000114700000000, 0.0002614500000000 ] - [ -0.0003902400000000, 0.0000779800000000, -0.0000889200000000 ] - [ -0.0000037200000000, 0.0001259500000000, 0.0000797400000000 ] - [ -0.0001052700000000, 0.0002373300000000, -0.0002861600000000 ] - [ 0.0001910400000000, -0.0000583300000000, -0.0000474500000000 ] - [ 0.0001128100000000, 0.0000311400000000, 0.0000927400000000 ] - [ -0.0009733600000000, -0.0003374800000000, 0.0004186800000000 ] - [ -0.0002275800000000, -0.0007489000000000, 0.0000148600000000 ] - [ 0.0001190700000000, 0.0000359000000000, 0.0003249900000000 ] - [ -0.0001290800000000, -0.0001829500000000, -0.0002791800000000 ] - [ -0.0000577000000000, 0.0000993200000000, -0.0001587900000000 ] - [ -0.0009387500000000, -0.0001634900000000, 0.0005673400000000 ] - [ 0.0077833200000000, -0.0000441000000000, -0.0026290800000000 ] - [ 0.0045831100000000, -0.0010226200000000, 0.0011282700000000 ] - [ 0.0003484300000000, 0.0000526300000000, -0.0000264600000000 ] - [ 0.0000716400000000, -0.0001461900000000, -0.0000849200000000 ] - [ 0.0071665300000000, 0.0000774900000000, -0.0020734100000000 ] - [ -0.0002733400000000, -0.0007000300000000, 0.0000844000000000 ] - [ 0.0000555100000000, 0.0002070900000000, 0.0000395500000000 ] - [ -0.0000672300000000, 0.0001507600000000, -0.0003129700000000 ] - [ -0.0002760100000000, 0.0003386900000000, 0.0001030200000000 ] - [ -0.0003782400000000, 0.0003788000000000, -0.0004221200000000 ] - [ -0.0001131400000000, -0.0003355000000000, -0.0000366900000000 ] - [ 0.0053130000000000, 0.0022718500000000, 0.0023357900000000 ] - [ 0.0001842300000000, 0.0000230300000000, -0.0003017000000000 ] - [ 0.0003952200000000, -0.0000968400000000, 0.0002540400000000 ] - [ -0.0000640000000000, -0.0001212100000000, -0.0001688000000000 ] - [ -0.0000314700000000, 0.0001992000000000, -0.0000528300000000 ] - [ -0.0000707100000000, -0.0001759700000000, 0.0000134400000000 ] - [ -0.0001735900000000, 0.0006269500000000, 0.0000553700000000 ] - [ -0.0001323200000000, 0.0001624600000000, -0.0003071700000000 ] - [ -0.0001168400000000, -0.0000690100000000, 0.0000719300000000 ] - [ -0.0000733200000000, 0.0000857300000000, 0.0000826900000000 ] - [ 0.0001416200000000, 0.0000056300000000, -0.0001653200000000 ] - [ 0.0000241400000000, -0.0002098100000000, 0.0000637600000000 ] - [ -0.0011576500000000, 0.0002228100000000, 0.0004187000000000 ] - [ -0.0001578900000000, 0.0000161100000000, 0.0004627500000000 ] - [ 0.0002270900000000, 0.0001898900000000, 0.0002919100000000 ] - [ 0.0060498700000000, 0.0039524000000000, 0.0033541900000000 ] - [ 0.0001780500000000, -0.0000574300000000, 0.0000030500000000 ] - [ -0.0001930600000000, -0.0002087700000000, 0.0000711200000000 ] - [ -0.0000521200000000, 0.0001845000000000, 0.0001421600000000 ] - [ -0.0000222400000000, -0.0001170000000000, 0.0003218100000000 ] - [ -0.0001219700000000, 0.0001467200000000, 0.0002537200000000 ] - [ 0.0002540200000000, -0.0000345000000000, -0.0002854200000000 ] - [ -0.0004714300000000, -0.0003301700000000, -0.0004197100000000 ] - [ -0.0001590700000000, 0.0006655600000000, -0.0001125400000000 ] - [ -0.0079303300000000, -0.0000383200000000, -0.0022700300000000 ] - [ -0.0004128300000000, 0.0003167500000000, 0.0001141800000000 ] - [ 0.0000790900000000, 0.0001264200000000, 0.0003927300000000 ] - [ -0.0001184400000000, 0.0000053500000000, -0.0003976300000000 ] - [ 0.0002365300000000, 0.0002444700000000, -0.0000437500000000 ] - [ 0.0000617800000000, 0.0001082200000000, -0.0005340400000000 ] - [ -0.0013878400000000, -0.0031420500000000, 0.0013944200000000 ] - [ 0.0000503700000000, -0.0001052900000000, -0.0002188100000000 ] - [ 0.0002623800000000, -0.0002853100000000, -0.0011186900000000 ] - [ -0.0001081400000000, 0.0004599200000000, -0.0010912300000000 ] - [ -0.0003299100000000, -0.0000012900000000, -0.0000394900000000 ] - [ -0.0001408700000000, 0.0000068800000000, -0.0004930400000000 ] - [ -0.0005898000000000, -0.0001527100000000, 0.0015180500000000 ] - [ -0.0018927800000000, 0.0035992700000000, 0.0015844400000000 ] - [ -0.0020022400000000, -0.0036652700000000, 0.0015839200000000 ] - [ 0.0000931000000000, -0.0002440500000000, -0.0000390500000000 ] - [ -0.0002691300000000, -0.0002707700000000, 0.0001354600000000 ] - [ -0.0068691200000000, 0.0000683600000000, -0.0003104000000000 ] - [ -0.0013631300000000, 0.0034177000000000, -0.0003163800000000 ] - [ 0.0000415600000000, -0.0000857200000000, 0.0002306000000000 ] - [ 0.0004463400000000, -0.0000387000000000, 0.0000389700000000 ] - [ 0.0006294800000000, -0.0000143700000000, -0.0005975700000000 ] - [ -0.0000799400000000, -0.0004269800000000, 0.0001321700000000 ] - [ -0.0000734100000000, 0.0005860700000000, 0.0004312300000000 ] - [ 0.0000424300000000, -0.0000653500000000, 0.0001605000000000 ] - [ 0.0002333000000000, -0.0000111400000000, 0.0002512400000000 ] - [ 0.0011856600000000, -0.0008325600000000, 0.0001302300000000 ] - [ 0.0021374400000000, -0.0000316500000000, 0.0007366600000000 ] - [ 0.0000814300000000, 0.0000961800000000, -0.0004087400000000 ] - [ 0.0000408400000000, 0.0001258600000000, -0.0000390900000000 ] - [ -0.0001277100000000, -0.0000097400000000, -0.0000396800000000 ] - [ 0.0001619300000000, 0.0000833100000000, -0.0002557500000000 ] - [ -0.0000243800000000, 0.0000463800000000, -0.0002953100000000 ] - [ -0.0000031700000000, -0.0004835500000000, 0.0008258000000000 ] - [ 0.0009551200000000, -0.0049854900000000, -0.0019126800000000 ] - [ 0.0012322900000000, 0.0007355800000000, 0.0003197100000000 ] - [ -0.0008802400000000, -0.0000453300000000, -0.0004797000000000 ] - [ 0.0000911400000000, -0.0000815500000000, -0.0001837400000000 ] - [ 0.0004030100000000, 0.0008099500000000, -0.0015173100000000 ] - [ -0.0002738600000000, -0.0000000300000000, -0.0003947500000000 ] - [ 0.0004619500000000, 0.0007175000000000, -0.0005503000000000 ] - [ -0.0001697400000000, 0.0000126700000000, 0.0001549900000000 ] - [ -0.0000310800000000, -0.0000985600000000, 0.0001058800000000 ] - [ 0.0012818200000000, 0.0009781500000000, 0.0001141500000000 ] - [ -0.0000917100000000, 0.0001687700000000, -0.0000188700000000 ] - [ -0.0000992600000000, -0.0001156200000000, -0.0001895300000000 ] - [ 0.0000093900000000, 0.0001586200000000, -0.0002571200000000 ] - [ 0.0008025200000000, 0.0000437900000000, -0.0010210600000000 ] - [ 0.0003551800000000, -0.0004267000000000, -0.0001407500000000 ] - [ 0.0016883500000000, 0.0000817100000000, 0.0023928300000000 ] - [ 0.0001033500000000, -0.0000006400000000, 0.0004543900000000 ] - [ -0.0002413400000000, 0.0024378500000000, 0.0003930200000000 ] - [ -0.0000150700000000, -0.0000255100000000, 0.0008238300000000 ] - [ -0.0000100600000000, -0.0000276800000000, -0.0001842200000000 ] - [ 0.0000764300000000, 0.0001589200000000, 0.0001537700000000 ] - [ -0.0000337000000000, -0.0001576900000000, 0.0000186500000000 ] - [ 0.0001033900000000, -0.0002524200000000, -0.0003992200000000 ] - [ -0.0001638700000000, 0.0000037000000000, -0.0005620900000000 ] - [ 0.0005046700000000, 0.0005421700000000, -0.0005575200000000 ] - [ -0.0001017900000000, 0.0000953000000000, -0.0002437100000000 ] - [ 0.0014577300000000, 0.0060327200000000, -0.0024452300000000 ] - [ 0.0002413100000000, 0.0001388500000000, -0.0002687900000000 ] - [ 0.0001088400000000, -0.0001395000000000, -0.0000547400000000 ] - [ -0.0003219200000000, -0.0015214300000000, -0.0000547400000000 ] - [ 0.0000374200000000, -0.0000238000000000, -0.0001857500000000 ] - [ 0.0025385000000000, -0.0011392900000000, 0.0001580200000000 ] - [ -0.0008051100000000, 0.0001332400000000, 0.0001386600000000 ] - [ -0.0000509800000000, 0.0000962800000000, 0.0001071000000000 ] - [ 0.0001466600000000, -0.0000759800000000, -0.0002585800000000 ] - [ 0.0000658300000000, -0.0001127300000000, 0.0002588500000000 ] - [ -0.0004609700000000, 0.0020620700000000, 0.0005859600000000 ] - [ -0.0000476200000000, 0.0001180600000000, -0.0001904400000000 ] - [ 0.0002014100000000, -0.0011926900000000, 0.0004419300000000 ] - [ 0.0001525200000000, 0.0000048700000000, -0.0001919100000000 ] - [ 0.0018121500000000, -0.0012199000000000, 0.0005418300000000 ] - [ -0.0001875000000000, -0.0000787100000000, -0.0002700800000000 ] - [ 0.0004272800000000, -0.0004180600000000, -0.0005679700000000 ] - [ 0.0008450800000000, -0.0005501100000000, -0.0000152100000000 ] - [ -0.0000259600000000, -0.0000779200000000, -0.0002681900000000 ] - [ 0.0002969400000000, 0.0007005900000000, -0.0014567700000000 ] - [ 0.0006063600000000, 0.0033863000000000, -0.0012897300000000 ] - [ 0.0001031200000000, 0.0000474400000000, -0.0000659800000000 ] - [ -0.0000519700000000, 0.0001457700000000, 0.0003838900000000 ] - [ 0.0027413000000000, 0.0011989500000000, 0.0000831800000000 ] - [ -0.0000964200000000, -0.0000491500000000, -0.0000703100000000 ] - [ -0.0001154700000000, 0.0002621000000000, 0.0000742700000000 ] - [ -0.0014794800000000, -0.0000235000000000, -0.0001348800000000 ] - [ 0.0004475300000000, -0.0007941800000000, -0.0013368700000000 ] - [ -0.0001627500000000, -0.0000494600000000, -0.0000700700000000 ] - [ 0.0000249000000000, -0.0000035900000000, 0.0007770400000000 ] - [ 0.0004390900000000, -0.0007600500000000, -0.0004786400000000 ] - [ 0.0003583400000000, 0.0006627200000000, -0.0004294700000000 ] - [ -0.0000245000000000, -0.0003523000000000, 0.0000931500000000 ] - [ 0.0000553600000000, 0.0000977100000000, -0.0001838100000000 ] - [ -0.0007381900000000, 0.0000190500000000, -0.0005042400000000 ] - [ -0.0000399500000000, -0.0001419200000000, -0.0002417900000000 ] - [ 0.0004217000000000, -0.0007512700000000, -0.0005518200000000 ] - [ 0.0018411000000000, 0.0011817300000000, 0.0005466000000000 ] - [ 0.0105505000000000, 0.0002315900000000, 0.0043904400000000 ] - [ 0.0005761000000000, -0.0030368600000000, -0.0010297600000000 ] - [ -0.0000587100000000, 0.0004429100000000, 0.0008515900000000 ] - [ -0.0000098800000000, 0.0000160700000000, -0.0000942100000000 ] - [ -0.0001844500000000, 0.0001404400000000, 0.0000769200000000 ] - [ 0.0002025500000000, 0.0004587900000000, 0.0003020500000000 ] - [ 0.0057132200000000, -0.0001037100000000, 0.0024039700000000 ] - [ -0.0004075300000000, -0.0021147600000000, 0.0003664000000000 ] - [ 0.0001651000000000, -0.0000702800000000, -0.0002534000000000 ] - [ -0.0000332100000000, -0.0001106800000000, 0.0002439700000000 ] - [ 0.0000423600000000, -0.0000444000000000, 0.0000021200000000 ] - [ -0.0449807000000000, -0.0063388700000000, -0.0016245200000000 ] - [ 0.0000801300000000, -0.0000265900000000, 0.0000722000000000 ] - [ 0.0000096300000000, -0.0001587000000000, 0.0001703100000000 ] - [ 0.0000478400000000, -0.0000158400000000, 0.0002667000000000 ] - [ -0.0001726900000000, -0.0000009500000000, 0.0000617100000000 ] - [ -0.0000581100000000, -0.0000309400000000, -0.0001106600000000 ] - [ -0.0027494300000000, 0.0002343200000000, -0.0002168500000000 ] - [ 0.0000096600000000, 0.0000513300000000, -0.0000465300000000 ] - [ -0.0000067300000000, 0.0000444900000000, -0.0003260700000000 ] - [ -0.0000563300000000, -0.0000195500000000, -0.0000413000000000 ] - [ -0.0000098700000000, 0.0000579800000000, -0.0001279400000000 ] - [ -0.0000244100000000, -0.0000239500000000, -0.0003284200000000 ] - [ 0.0003578200000000, -0.0000225700000000, 0.0001684600000000 ] - [ 0.0000413200000000, -0.0000039700000000, -0.0004142900000000 ] - [ 0.0004960100000000, 0.0001049900000000, 0.0001116200000000 ] - [ 0.0000636900000000, -0.0000045300000000, 0.0000827000000000 ] - [ 0.0003726200000000, -0.0000317100000000, 0.0000920400000000 ]- atom: 173 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0049000200000000, 0.0018263600000000, -0.0012312000000000 ] - [ -0.0001216900000000, 0.0003633000000000, 0.0006026100000000 ] - [ -0.0000807900000000, 0.0002653400000000, 0.0001958600000000 ] - [ 0.0000120300000000, -0.0001918000000000, -0.0001962600000000 ] - [ -0.0001927300000000, 0.0003910900000000, -0.0003196500000000 ] - [ -0.0001164200000000, -0.0002203800000000, 0.0000163500000000 ] - [ 0.0001648700000000, 0.0000040500000000, -0.0001181600000000 ] - [ -0.0004696400000000, -0.0001884900000000, -0.0005542700000000 ] - [ 0.0008349400000000, -0.0000001700000000, -0.0002574800000000 ] - [ -0.0001263000000000, 0.0002202100000000, 0.0000149600000000 ] - [ 0.0001204400000000, -0.0000881700000000, 0.0000180800000000 ] - [ -0.0001155800000000, -0.0003686700000000, -0.0002598100000000 ] - [ -0.0001098100000000, -0.0002222000000000, -0.0002803100000000 ] - [ -0.0000469800000000, -0.0003179900000000, 0.0003986300000000 ] - [ -0.0001782400000000, -0.0000639100000000, 0.0006502600000000 ] - [ 0.0000688500000000, 0.0001576200000000, 0.0000786700000000 ] - [ -0.0001428300000000, 0.0000056500000000, 0.0000756100000000 ] - [ 0.0006338400000000, 0.0000794200000000, 0.0003316900000000 ] - [ -0.0000269200000000, 0.0001703600000000, 0.0000348200000000 ] - [ -0.0000886500000000, 0.0001896000000000, -0.0003025900000000 ] - [ 0.0002635100000000, 0.0000495800000000, 0.0000356900000000 ] - [ 0.0001590700000000, 0.0000905900000000, 0.0000219200000000 ] - [ 0.0010264500000000, -0.0000898800000000, 0.0000027100000000 ] - [ 0.0003422500000000, 0.0007521200000000, 0.0002606400000000 ] - [ 0.0001598300000000, -0.0000284000000000, 0.0002631000000000 ] - [ -0.0001218300000000, -0.0001908800000000, -0.0003095700000000 ] - [ -0.0000518100000000, 0.0001079300000000, -0.0001790000000000 ] - [ 0.0007881200000000, 0.0001066300000000, -0.0000685000000000 ] - [ -0.0079078300000000, 0.0003135800000000, 0.0034387000000000 ] - [ -0.0045950600000000, 0.0012625600000000, -0.0007003700000000 ] - [ 0.0003999900000000, -0.0000650000000000, 0.0000677700000000 ] - [ 0.0004383000000000, 0.0001524100000000, -0.0003558100000000 ] - [ -0.0065935100000000, 0.0000341300000000, 0.0022181000000000 ] - [ 0.0004042700000000, 0.0005959600000000, 0.0004074700000000 ] - [ 0.0003829800000000, -0.0001026200000000, -0.0002952400000000 ] - [ -0.0001776200000000, -0.0002725800000000, 0.0005619300000000 ] - [ -0.0001081800000000, 0.0003039300000000, -0.0000610700000000 ] - [ 0.0002496500000000, 0.0000499800000000, 0.0001687000000000 ] - [ -0.0002651600000000, -0.0003190100000000, 0.0000737700000000 ] - [ -0.0054691100000000, -0.0025999400000000, -0.0023092600000000 ] - [ 0.0002828900000000, 0.0000223500000000, -0.0002874000000000 ] - [ -0.0001618300000000, -0.0000883700000000, -0.0000067400000000 ] - [ -0.0000476500000000, -0.0000721900000000, -0.0001766100000000 ] - [ -0.0001908900000000, 0.0001960900000000, 0.0000408200000000 ] - [ 0.0000380800000000, -0.0001290900000000, 0.0000906500000000 ] - [ 0.0005132700000000, -0.0008726200000000, 0.0003681200000000 ] - [ -0.0001537800000000, 0.0002008300000000, -0.0002798600000000 ] - [ -0.0001305500000000, -0.0001114200000000, 0.0000333000000000 ] - [ -0.0001627300000000, 0.0000917400000000, 0.0000316200000000 ] - [ 0.0000928100000000, 0.0000031600000000, -0.0001721600000000 ] - [ -0.0001833100000000, 0.0002684100000000, 0.0004276100000000 ] - [ 0.0007703800000000, -0.0000589300000000, 0.0000036800000000 ] - [ -0.0001199600000000, 0.0000946800000000, -0.0002166300000000 ] - [ -0.0005327700000000, 0.0001274000000000, -0.0005506000000000 ] - [ -0.0060864100000000, -0.0039224100000000, -0.0029754200000000 ] - [ 0.0000944300000000, -0.0000580800000000, 0.0001100700000000 ] - [ -0.0000299500000000, -0.0001751000000000, -0.0000781100000000 ] - [ -0.0003494100000000, -0.0003548400000000, 0.0002820000000000 ] - [ -0.0001181400000000, -0.0001262200000000, 0.0002648000000000 ] - [ -0.0000109300000000, 0.0000990000000000, 0.0003329100000000 ] - [ 0.0002034900000000, -0.0000314500000000, -0.0003017100000000 ] - [ 0.0001620200000000, -0.0000080800000000, 0.0001750400000000 ] - [ 0.0004346800000000, -0.0006576300000000, 0.0002242600000000 ] - [ 0.0079587700000000, -0.0000510000000000, 0.0028515500000000 ] - [ 0.0003432700000000, -0.0002004300000000, 0.0001198400000000 ] - [ -0.0000717000000000, -0.0001315900000000, -0.0002298500000000 ] - [ 0.0001169700000000, -0.0000062700000000, -0.0005938200000000 ] - [ 0.0000443100000000, 0.0002428700000000, -0.0000547700000000 ] - [ -0.0000620400000000, -0.0001085200000000, -0.0004566600000000 ] - [ 0.0013953300000000, 0.0031561600000000, -0.0004967100000000 ] - [ -0.0000496200000000, 0.0001061400000000, -0.0004568800000000 ] - [ -0.0000293000000000, 0.0006927800000000, 0.0006507400000000 ] - [ -0.0003615900000000, -0.0004577600000000, 0.0006169500000000 ] - [ -0.0002365400000000, 0.0000009700000000, -0.0000600300000000 ] - [ 0.0001314600000000, -0.0000031700000000, 0.0006605600000000 ] - [ 0.0008275800000000, -0.0002497700000000, -0.0019802300000000 ] - [ 0.0017847400000000, -0.0035874800000000, -0.0009914200000000 ] - [ 0.0020554200000000, 0.0037456800000000, -0.0009836800000000 ] - [ 0.0001899400000000, -0.0002458300000000, -0.0000609600000000 ] - [ 0.0004001800000000, 0.0002651700000000, 0.0000980200000000 ] - [ 0.0069210800000000, -0.0000781200000000, -0.0002782300000000 ] - [ 0.0013567500000000, -0.0034171000000000, -0.0002715900000000 ] - [ -0.0000399200000000, 0.0000874700000000, 0.0004712300000000 ] - [ -0.0005127500000000, -0.0000787800000000, 0.0002278700000000 ] - [ -0.0006303500000000, 0.0000104300000000, 0.0003627700000000 ] - [ 0.0000755400000000, 0.0004241500000000, -0.0003710600000000 ] - [ 0.0000730300000000, -0.0005828700000000, -0.0001038500000000 ] - [ 0.0000733200000000, -0.0001325000000000, 0.0000925200000000 ] - [ 0.0001915300000000, 0.0001865100000000, 0.0002977500000000 ] - [ -0.0005523100000000, 0.0008262200000000, 0.0002968400000000 ] - [ -0.0021491700000000, 0.0000307800000000, 0.0003248300000000 ] - [ 0.0001152600000000, 0.0001783800000000, -0.0002401900000000 ] - [ 0.0001168500000000, 0.0001471700000000, -0.0000553100000000 ] - [ -0.0001782900000000, 0.0000174400000000, -0.0000534700000000 ] - [ 0.0001064200000000, 0.0000682700000000, -0.0002425100000000 ] - [ 0.0000222600000000, -0.0000496300000000, -0.0005197400000000 ] - [ 0.0000882000000000, 0.0004783200000000, -0.0003759400000000 ] - [ -0.0014412000000000, 0.0053842700000000, 0.0022930300000000 ] - [ -0.0001332000000000, -0.0007322500000000, 0.0004820100000000 ] - [ -0.0007817900000000, -0.0000069300000000, -0.0004890600000000 ] - [ 0.0001114200000000, -0.0001957100000000, -0.0004670000000000 ] - [ -0.0004954200000000, -0.0009679100000000, 0.0013214500000000 ] - [ -0.0000664300000000, 0.0000367200000000, -0.0002547600000000 ] - [ 0.0004079000000000, 0.0006910600000000, -0.0004187300000000 ] - [ -0.0000599800000000, -0.0000113600000000, 0.0000978900000000 ] - [ 0.0003015700000000, 0.0005421300000000, -0.0003525400000000 ] - [ -0.0007096800000000, -0.0007349700000000, 0.0002638300000000 ] - [ -0.0000317900000000, 0.0000439100000000, 0.0000240600000000 ] - [ -0.0000338400000000, -0.0001149100000000, -0.0001831300000000 ] - [ -0.0000122500000000, 0.0001494500000000, -0.0002410100000000 ] - [ -0.0008469900000000, 0.0000258600000000, 0.0014616200000000 ] - [ -0.0001263700000000, 0.0000371200000000, -0.0001949100000000 ] - [ -0.0017705800000000, 0.0000659000000000, -0.0025638300000000 ] - [ -0.0001006700000000, 0.0000032500000000, -0.0004891800000000 ] - [ 0.0001681800000000, -0.0018310400000000, -0.0000178200000000 ] - [ 0.0000120400000000, 0.0000215500000000, 0.0008027400000000 ] - [ -0.0004385400000000, 0.0000321300000000, -0.0001515700000000 ] - [ 0.0000374300000000, 0.0000384600000000, 0.0000980600000000 ] - [ -0.0001763700000000, 0.0001491400000000, -0.0003536300000000 ] - [ 0.0000311700000000, -0.0000503700000000, -0.0002469700000000 ] - [ -0.0003639900000000, 0.0000029400000000, 0.0003133200000000 ] - [ -0.0002560100000000, -0.0000856200000000, 0.0003081000000000 ] - [ -0.0001585300000000, 0.0000692800000000, -0.0002568500000000 ] - [ -0.0017546300000000, -0.0065992100000000, 0.0028830900000000 ] - [ -0.0001104200000000, -0.0001311900000000, -0.0002407500000000 ] - [ 0.0000510900000000, -0.0001223800000000, -0.0000386100000000 ] - [ 0.0002433300000000, 0.0013773900000000, 0.0003728600000000 ] - [ -0.0003672200000000, -0.0000111600000000, -0.0004616100000000 ] - [ -0.0028398900000000, 0.0016679900000000, 0.0002678300000000 ] - [ 0.0004253000000000, 0.0001432400000000, 0.0004024700000000 ] - [ 0.0003081400000000, -0.0005727000000000, -0.0003554500000000 ] - [ 0.0001259600000000, -0.0000669100000000, -0.0002419500000000 ] - [ -0.0004175400000000, -0.0001591400000000, 0.0002880600000000 ] - [ -0.0000883100000000, -0.0011031000000000, 0.0002177600000000 ] - [ -0.0000827700000000, 0.0001218300000000, -0.0001771100000000 ] - [ -0.0002057500000000, 0.0011920700000000, 0.0006222000000000 ] - [ 0.0001206400000000, 0.0000022100000000, -0.0001761400000000 ] - [ -0.0019071200000000, 0.0013834900000000, -0.0002300400000000 ] - [ -0.0000744900000000, -0.0000780400000000, -0.0002278600000000 ] - [ -0.0003293800000000, 0.0002284000000000, 0.0002299100000000 ] - [ -0.0006736400000000, 0.0005534900000000, 0.0003291800000000 ] - [ 0.0000268800000000, 0.0000813600000000, 0.0002370700000000 ] - [ -0.0002963700000000, -0.0006998300000000, 0.0005850700000000 ] - [ -0.0011701200000000, -0.0043413200000000, 0.0020924000000000 ] - [ 0.0001425300000000, -0.0000479700000000, 0.0000709700000000 ] - [ 0.0004804000000000, -0.0003343900000000, 0.0001564900000000 ] - [ -0.0027983800000000, -0.0018076100000000, 0.0002923600000000 ] - [ -0.0000258100000000, -0.0001625300000000, 0.0000757400000000 ] - [ 0.0002198700000000, -0.0000835200000000, -0.0004085000000000 ] - [ 0.0014192500000000, -0.0000808400000000, -0.0004182300000000 ] - [ -0.0002719300000000, 0.0007847500000000, 0.0011410100000000 ] - [ 0.0003917800000000, 0.0004457600000000, -0.0002768600000000 ] - [ -0.0000264700000000, -0.0000011100000000, 0.0008495700000000 ] - [ 0.0004261900000000, -0.0006555200000000, -0.0004901700000000 ] - [ 0.0004266500000000, 0.0007944500000000, -0.0005400000000000 ] - [ 0.0002943600000000, -0.0000994900000000, -0.0003389700000000 ] - [ 0.0000847900000000, 0.0002107000000000, -0.0004661400000000 ] - [ -0.0009194100000000, 0.0000225400000000, -0.0004638500000000 ] - [ 0.0000355700000000, -0.0001636800000000, -0.0002563600000000 ] - [ 0.0003643100000000, -0.0007143400000000, -0.0004165000000000 ] - [ -0.0019369900000000, -0.0013308800000000, -0.0002310800000000 ] - [ -0.0098298700000000, -0.0004651600000000, -0.0039537400000000 ] - [ -0.0006715700000000, 0.0031740700000000, 0.0013453200000000 ] - [ 0.0000161800000000, -0.0005196900000000, -0.0004006500000000 ] - [ 0.0000066800000000, -0.0000216400000000, 0.0000157800000000 ] - [ -0.0003552200000000, -0.0001567800000000, -0.0003250800000000 ] - [ -0.0002613100000000, -0.0000001000000000, 0.0002473300000000 ] - [ -0.0056010500000000, 0.0001002200000000, -0.0021231000000000 ] - [ -0.0000926200000000, 0.0017402600000000, 0.0000090000000000 ] - [ -0.0002246000000000, 0.0001845200000000, -0.0002555500000000 ] - [ -0.0000260100000000, -0.0003283000000000, 0.0003029500000000 ] - [ 0.0000000000000000, -0.0000420300000000, -0.0000505900000000 ] - [ 0.0447431100000000, 0.0061198200000000, 0.0016777800000000 ] - [ -0.0000837400000000, 0.0000089800000000, 0.0000841600000000 ] - [ -0.0004678900000000, 0.0001664900000000, 0.0001660800000000 ] - [ -0.0000225400000000, -0.0000320600000000, -0.0002318500000000 ] - [ 0.0001701300000000, -0.0000042400000000, 0.0000974000000000 ] - [ 0.0000041800000000, 0.0000292200000000, 0.0001439500000000 ] - [ 0.0029801800000000, 0.0001663200000000, 0.0006074500000000 ] - [ 0.0000329500000000, 0.0000225300000000, -0.0000079600000000 ] - [ 0.0000242400000000, -0.0000142600000000, -0.0003760800000000 ] - [ -0.0000393900000000, 0.0000132700000000, -0.0000075200000000 ] - [ 0.0000364700000000, -0.0000122700000000, 0.0001586500000000 ] - [ 0.0000094200000000, 0.0000312100000000, -0.0003782100000000 ] - [ -0.0001245800000000, -0.0003731100000000, 0.0001679900000000 ] - [ -0.0000279300000000, -0.0000056100000000, -0.0002923400000000 ] - [ -0.0002570100000000, -0.0000988000000000, 0.0000837300000000 ] - [ -0.0000768000000000, -0.0000066900000000, 0.0000737000000000 ] - [ -0.0004889300000000, 0.0002352600000000, 0.0001047300000000 ]- atom: 173 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017429100000000, -0.0025206900000000, 0.0067820500000000 ] - [ -0.0004651000000000, -0.0001667100000000, -0.0000264300000000 ] - [ 0.0000022600000000, 0.0000130600000000, 0.0007242000000000 ] - [ 0.0004290600000000, -0.0003787100000000, -0.0000993700000000 ] - [ -0.0001450100000000, 0.0003055300000000, -0.0003266300000000 ] - [ -0.0000878400000000, -0.0001486900000000, -0.0003306200000000 ] - [ 0.0003604000000000, 0.0000179600000000, -0.0005475800000000 ] - [ 0.0004229800000000, 0.0007326300000000, -0.0012984800000000 ] - [ 0.0000116700000000, 0.0000869200000000, 0.0006850600000000 ] - [ -0.0001087300000000, 0.0001447500000000, -0.0003333300000000 ] - [ 0.0000075900000000, 0.0001415000000000, -0.0000396000000000 ] - [ -0.0000764400000000, -0.0003022000000000, -0.0002182900000000 ] - [ -0.0001072600000000, -0.0002228400000000, -0.0006790600000000 ] - [ 0.0000072300000000, -0.0000093600000000, 0.0008652400000000 ] - [ -0.0009389400000000, -0.0000710200000000, -0.0012591900000000 ] - [ -0.0000455000000000, -0.0000788100000000, 0.0000078200000000 ] - [ 0.0000881700000000, -0.0004861400000000, -0.0000264300000000 ] - [ 0.0001187400000000, 0.0000773200000000, -0.0000396000000000 ] - [ -0.0000448500000000, 0.0002211400000000, -0.0002378000000000 ] - [ -0.0001112500000000, 0.0002326400000000, -0.0006557300000000 ] - [ 0.0001797200000000, -0.0000217900000000, -0.0003333300000000 ] - [ 0.0002139400000000, 0.0000717300000000, -0.0002378000000000 ] - [ 0.0000740700000000, -0.0002654000000000, 0.0007510100000000 ] - [ 0.0000101800000000, 0.0000084900000000, 0.0007242000000000 ] - [ 0.0002184800000000, -0.0000162700000000, 0.0000070800000000 ] - [ -0.0001393500000000, -0.0002043100000000, -0.0006790600000000 ] - [ -0.0000480500000000, 0.0000772500000000, -0.0005438800000000 ] - [ -0.0000117200000000, 0.0000015800000000, 0.0008652400000000 ] - [ -0.0030544400000000, 0.0002490600000000, 0.0067820500000000 ] - [ 0.0009473400000000, -0.0017421500000000, 0.0061135200000000 ] - [ 0.0003200700000000, 0.0000091000000000, -0.0003112900000000 ] - [ 0.0003371000000000, 0.0000271800000000, -0.0003266300000000 ] - [ -0.0019824200000000, -0.0000506600000000, 0.0061135200000000 ] - [ 0.0000068400000000, -0.0000970800000000, 0.0008838700000000 ] - [ 0.0002936300000000, 0.0000198300000000, -0.0002225400000000 ] - [ -0.0005425000000000, 0.0001822200000000, -0.0000993700000000 ] - [ -0.0001521500000000, 0.0002817400000000, -0.0003112900000000 ] - [ -0.0001296400000000, 0.0002642100000000, -0.0002225400000000 ] - [ -0.0002590100000000, -0.0004486200000000, -0.0005011500000000 ] - [ 0.0021406900000000, 0.0037077800000000, 0.0075846900000000 ] - [ 0.0002571000000000, 0.0000199800000000, -0.0006557300000000 ] - [ 0.0001013000000000, 0.0003889300000000, -0.0001175400000000 ] - [ -0.0000413900000000, -0.0000716800000000, -0.0005242100000000 ] - [ -0.0001646400000000, 0.0003210900000000, -0.0005475800000000 ] - [ -0.0000776800000000, -0.0002082100000000, -0.0002427700000000 ] - [ 0.0001864400000000, -0.0000838100000000, 0.0007527900000000 ] - [ -0.0001468200000000, 0.0002040800000000, -0.0006782800000000 ] - [ -0.0001414700000000, -0.0001713800000000, -0.0002427700000000 ] - [ -0.0000281700000000, -0.0000466300000000, -0.0005612900000000 ] - [ 0.0000909300000000, -0.0000029900000000, -0.0005438800000000 ] - [ -0.0000875000000000, -0.0000426200000000, 0.0008838700000000 ] - [ -0.0001658000000000, 0.0001195600000000, 0.0007527900000000 ] - [ 0.0002861700000000, 0.0002821900000000, -0.0001175400000000 ] - [ 0.0004079700000000, -0.0008486500000000, -0.0012591900000000 ] - [ 0.0032591300000000, 0.0056449800000000, 0.0083252700000000 ] - [ -0.0000263000000000, -0.0000477100000000, -0.0005612900000000 ] - [ -0.0000848500000000, -0.0001504100000000, -0.0003306200000000 ] - [ -0.0002668800000000, -0.0000685500000000, 0.0007510100000000 ] - [ 0.0000148700000000, 0.0000257600000000, -0.0003120300000000 ] - [ -0.0001233300000000, 0.0001810700000000, 0.0000070800000000 ] - [ 0.0002501500000000, -0.0000251100000000, -0.0006782800000000 ] - [ -0.0002234900000000, -0.0002173000000000, -0.0002182900000000 ] - [ 0.0000694400000000, 0.0000535600000000, 0.0006850600000000 ] - [ -0.0024314000000000, -0.0000164600000000, 0.0006348600000000 ] - [ -0.0000255600000000, 0.0000618600000000, 0.0001394900000000 ] - [ 0.0000751700000000, -0.0001302800000000, -0.0009589800000000 ] - [ 0.0002579800000000, 0.0000010900000000, -0.0015275900000000 ] - [ 0.0001404600000000, 0.0002432800000000, -0.0015282800000000 ] - [ -0.0001280500000000, 0.0002239700000000, -0.0015275900000000 ] - [ 0.0014128200000000, 0.0024470800000000, 0.0007728400000000 ] - [ 0.0001811000000000, 0.0003136700000000, -0.0014053000000000 ] - [ -0.0006223400000000, -0.0010779200000000, -0.0004072200000000 ] - [ -0.0009225600000000, 0.0012541000000000, -0.0003698400000000 ] - [ -0.0002796600000000, -0.0000006100000000, -0.0009729200000000 ] - [ -0.0001504100000000, -0.0000000400000000, -0.0009589800000000 ] - [ 0.0015473600000000, -0.0001719100000000, -0.0003698400000000 ] - [ 0.0012014500000000, -0.0021138800000000, 0.0006348600000000 ] - [ 0.0013096100000000, 0.0022683100000000, 0.0005083800000000 ] - [ 0.0001393000000000, -0.0002425000000000, -0.0009729200000000 ] - [ 0.0000663500000000, 0.0000087900000000, 0.0001394900000000 ] - [ -0.0042547800000000, 0.0000284900000000, 0.0039070000000000 ] - [ 0.0021520600000000, -0.0036705000000000, 0.0039070000000000 ] - [ -0.0000984800000000, -0.0001705700000000, -0.0006508200000000 ] - [ -0.0000366900000000, -0.0000635500000000, -0.0070168900000000 ] - [ -0.0005257800000000, 0.0000088000000000, -0.0001391000000000 ] - [ 0.0002705100000000, -0.0004509400000000, -0.0001391000000000 ] - [ 0.0002831200000000, 0.0004903800000000, 0.0000680000000000 ] - [ 0.0001544100000000, -0.0001189300000000, 0.0004872700000000 ] - [ 0.0002274500000000, 0.0001345600000000, 0.0003390500000000 ] - [ -0.0008035800000000, 0.0004804500000000, -0.0003203700000000 ] - [ 0.0003153800000000, 0.0000014400000000, -0.0019110800000000 ] - [ 0.0000134800000000, 0.0001031400000000, 0.0000433100000000 ] - [ -0.0000178600000000, -0.0000309300000000, 0.0004744600000000 ] - [ -0.0000323900000000, 0.0000039000000000, 0.0002973700000000 ] - [ 0.0000773900000000, -0.0000098200000000, 0.0000819200000000 ] - [ 0.0000731500000000, 0.0001267100000000, 0.0001907900000000 ] - [ 0.0003507800000000, -0.0005752900000000, 0.0002207000000000 ] - [ -0.0020137700000000, 0.0033737400000000, -0.0003275400000000 ] - [ -0.0005874700000000, -0.0005196100000000, -0.0001417700000000 ] - [ -0.0006373600000000, -0.0001455600000000, -0.0000922500000000 ] - [ 0.0001154800000000, -0.0000420800000000, 0.0000413300000000 ] - [ -0.0003252500000000, -0.0005633400000000, -0.0003760000000000 ] - [ -0.0000941800000000, 0.0000789700000000, 0.0000413300000000 ] - [ 0.0002289700000000, 0.0005969700000000, -0.0000910900000000 ] - [ -0.0001802000000000, 0.0000742600000000, 0.0004872700000000 ] - [ 0.0000734200000000, -0.0002536400000000, 0.0000378800000000 ] - [ -0.0010323300000000, -0.0004153900000000, -0.0003706100000000 ] - [ -0.0001220500000000, 0.0001000200000000, 0.0003203700000000 ] - [ -0.0000626000000000, -0.0001084200000000, 0.0008107200000000 ] - [ -0.0000472000000000, 0.0000621100000000, 0.0000819200000000 ] - [ -0.0006736000000000, 0.0000161400000000, 0.0002207000000000 ] - [ 0.0001483000000000, -0.0002308800000000, -0.0000998100000000 ] - [ 0.0004757100000000, 0.0000701500000000, -0.0004680500000000 ] - [ 0.0001544500000000, 0.0000010000000000, 0.0006429400000000 ] - [ 0.0001564200000000, -0.0011017200000000, -0.0003706100000000 ] - [ 0.0000166900000000, -0.0000342300000000, 0.0015335600000000 ] - [ -0.0002741000000000, 0.0000129900000000, -0.0000998100000000 ] - [ 0.0001595500000000, 0.0002763400000000, 0.0004867300000000 ] - [ 0.0003177400000000, -0.0001909200000000, -0.0000415200000000 ] - [ -0.0000336100000000, 0.0000121500000000, 0.0000525500000000 ] - [ -0.0013575000000000, -0.0000060600000000, 0.0001362000000000 ] - [ -0.0002563700000000, -0.0000632300000000, 0.0000378800000000 ] - [ -0.0000276200000000, 0.0000752300000000, 0.0000815300000000 ] - [ -0.0025059500000000, -0.0043404300000000, -0.0002044800000000 ] - [ 0.0000739500000000, -0.0000041400000000, -0.0003418000000000 ] - [ 0.0000195700000000, -0.0000261000000000, 0.0002973700000000 ] - [ -0.0001728400000000, 0.0010341800000000, -0.0005553400000000 ] - [ 0.0000273300000000, -0.0000230300000000, 0.0000525500000000 ] - [ 0.0008178700000000, -0.0004557000000000, -0.0003203700000000 ] - [ 0.0013572500000000, 0.0001628200000000, 0.0024124800000000 ] - [ 0.0000726400000000, 0.0002313600000000, 0.0000390100000000 ] - [ 0.0000789600000000, 0.0000136900000000, 0.0000815300000000 ] - [ -0.0002347900000000, -0.0001509800000000, 0.0003395700000000 ] - [ -0.0001562600000000, -0.0007685700000000, -0.0001417700000000 ] - [ -0.0000604800000000, 0.0001116400000000, 0.0004097000000000 ] - [ -0.0001564400000000, 0.0002738400000000, -0.0019110800000000 ] - [ 0.0001269200000000, 0.0000034400000000, 0.0004097000000000 ] - [ 0.0009795000000000, -0.0003780200000000, -0.0005607100000000 ] - [ 0.0000360800000000, -0.0000701100000000, 0.0002415300000000 ] - [ -0.0003242100000000, 0.0001797100000000, -0.0000415200000000 ] - [ -0.0008171300000000, 0.0006592600000000, -0.0005607100000000 ] - [ -0.0000763600000000, 0.0001342600000000, 0.0006429400000000 ] - [ -0.0003176800000000, -0.0005502500000000, -0.0006109400000000 ] - [ -0.0019914900000000, -0.0034493600000000, 0.0000979200000000 ] - [ 0.0001476400000000, -0.0000556900000000, 0.0003203700000000 ] - [ -0.0005376200000000, 0.0012568200000000, 0.0024124800000000 ] - [ 0.0009766500000000, 0.0004173900000000, -0.0003616400000000 ] - [ -0.0002492500000000, -0.0004317100000000, 0.0004863900000000 ] - [ 0.0006047500000000, 0.0010474600000000, 0.0001226200000000 ] - [ 0.0000486100000000, 0.0000842000000000, 0.0090181900000000 ] - [ -0.0001771000000000, 0.0004470500000000, -0.0004680500000000 ] - [ -0.0006581900000000, -0.0011400200000000, 0.0019582600000000 ] - [ -0.0000379900000000, -0.0000026600000000, 0.0015335600000000 ] - [ 0.0004389300000000, -0.0007191600000000, -0.0002007200000000 ] - [ 0.0004025100000000, 0.0004967700000000, -0.0000910900000000 ] - [ 0.0006735000000000, -0.0011786500000000, 0.0001362000000000 ] - [ 0.0000825900000000, 0.0000632400000000, 0.0000433100000000 ] - [ -0.0008422700000000, 0.0000205400000000, -0.0002007200000000 ] - [ -0.0000787600000000, -0.0000038100000000, 0.0002415300000000 ] - [ 0.0001926200000000, -0.0006247500000000, -0.0000922500000000 ] - [ 0.0009820400000000, 0.0003674000000000, -0.0005553400000000 ] - [ 0.0039286300000000, -0.0000571100000000, -0.0003275400000000 ] - [ -0.0024206600000000, 0.0040291600000000, -0.0004600700000000 ] - [ 0.0003044900000000, 0.0005273900000000, 0.0002079700000000 ] - [ -0.0000341800000000, -0.0000592000000000, 0.0006779900000000 ] - [ 0.0001640400000000, 0.0001785900000000, 0.0000390100000000 ] - [ 0.0000028100000000, 0.0002642500000000, 0.0003390500000000 ] - [ 0.0046996800000000, -0.0000817700000000, -0.0004600700000000 ] - [ -0.0001268600000000, 0.0010545000000000, -0.0003616400000000 ] - [ -0.0000405600000000, 0.0000619700000000, -0.0003418000000000 ] - [ -0.0000133600000000, -0.0002788300000000, 0.0003395700000000 ] - [ 0.0000549100000000, -0.0000457900000000, 0.0003193200000000 ] - [ -0.0017172200000000, -0.0029743200000000, -0.0555448400000000 ] - [ -0.0000076600000000, 0.0000029200000000, 0.0003084900000000 ] - [ -0.0002341200000000, 0.0000003300000000, -0.0000006800000000 ] - [ 0.0002850800000000, -0.0000255500000000, 0.0003050700000000 ] - [ 0.0000404700000000, 0.0000701000000000, 0.0012453700000000 ] - [ -0.0001646700000000, 0.0002341100000000, 0.0003050700000000 ] - [ -0.0003479700000000, -0.0006027000000000, 0.0113400200000000 ] - [ 0.0000061600000000, 0.0000106800000000, 0.0003186900000000 ] - [ 0.0000252700000000, 0.0000437600000000, 0.0000072500000000 ] - [ -0.0000671100000000, 0.0000246500000000, 0.0003193200000000 ] - [ -0.0001040000000000, -0.0001801400000000, 0.0003031600000000 ] - [ 0.0000011900000000, -0.0000222700000000, 0.0000152000000000 ] - [ 0.0001173400000000, -0.0002025800000000, -0.0000006800000000 ] - [ -0.0000198800000000, -0.0000101100000000, 0.0000152000000000 ] - [ 0.0001122100000000, -0.0000101000000000, -0.0005243000000000 ] - [ 0.0000063600000000, -0.0000051800000000, 0.0003084900000000 ] - [ -0.0000648500000000, 0.0000921300000000, -0.0005243000000000 ]- atom: 173 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0015542500000000, 0.0027184700000000, -0.0061870200000000 ] - [ 0.0003507700000000, 0.0003881500000000, 0.0003610200000000 ] - [ -0.0000573100000000, 0.0000970100000000, -0.0004356000000000 ] - [ -0.0004095400000000, 0.0000997800000000, 0.0003465200000000 ] - [ -0.0001054700000000, 0.0001418800000000, -0.0001211700000000 ] - [ -0.0001343300000000, -0.0002348500000000, 0.0003227000000000 ] - [ 0.0000906800000000, -0.0000148000000000, 0.0005370700000000 ] - [ -0.0006879400000000, -0.0011915500000000, 0.0008583700000000 ] - [ -0.0001378500000000, 0.0001548100000000, -0.0005592600000000 ] - [ -0.0001240400000000, 0.0002455800000000, 0.0003211800000000 ] - [ 0.0000055700000000, 0.0001501000000000, 0.0002810600000000 ] - [ -0.0000615700000000, -0.0001342300000000, -0.0000381900000000 ] - [ -0.0000920900000000, -0.0001850800000000, 0.0000938800000000 ] - [ 0.0000225600000000, -0.0001474000000000, -0.0003612000000000 ] - [ 0.0013785400000000, -0.0000367000000000, 0.0009997700000000 ] - [ -0.0000710600000000, -0.0001230800000000, 0.0003302600000000 ] - [ 0.0001607600000000, 0.0004978600000000, 0.0003610200000000 ] - [ 0.0001272000000000, 0.0000798700000000, 0.0002810600000000 ] - [ 0.0000162300000000, 0.0000736000000000, 0.0003478600000000 ] - [ -0.0000842100000000, 0.0001984800000000, 0.0000698600000000 ] - [ 0.0002747000000000, 0.0000153700000000, 0.0003211800000000 ] - [ 0.0000556300000000, 0.0000508600000000, 0.0003478600000000 ] - [ -0.0000230000000000, -0.0001713300000000, -0.0003153700000000 ] - [ 0.0001126600000000, -0.0000011200000000, -0.0004356000000000 ] - [ 0.0000580200000000, 0.0000239000000000, 0.0005830200000000 ] - [ -0.0001142300000000, -0.0001722900000000, 0.0000938800000000 ] - [ -0.0000605800000000, 0.0001274200000000, 0.0002134300000000 ] - [ -0.0001389300000000, -0.0000541600000000, -0.0003612000000000 ] - [ 0.0031313900000000, 0.0000132100000000, -0.0061870200000000 ] - [ -0.0010431300000000, 0.0021124500000000, -0.0057514000000000 ] - [ 0.0004280500000000, -0.0000209000000000, 0.0003520700000000 ] - [ 0.0001756000000000, -0.0000204000000000, -0.0001211700000000 ] - [ 0.0023510000000000, 0.0001528500000000, -0.0057514000000000 ] - [ 0.0001240000000000, -0.0000102900000000, -0.0003842300000000 ] - [ 0.0001422700000000, 0.0000847400000000, -0.0000422800000000 ] - [ 0.0002911800000000, -0.0003047800000000, 0.0003465200000000 ] - [ -0.0002321200000000, 0.0003602600000000, 0.0003520700000000 ] - [ 0.0000022500000000, 0.0001655800000000, -0.0000422800000000 ] - [ -0.0001175300000000, -0.0002035700000000, 0.0005387100000000 ] - [ -0.0024382000000000, -0.0042230800000000, -0.0076521400000000 ] - [ 0.0002140000000000, 0.0000263200000000, 0.0000698600000000 ] - [ 0.0001332700000000, -0.0005675200000000, 0.0003606300000000 ] - [ -0.0000683600000000, -0.0001184000000000, 0.0001864600000000 ] - [ -0.0000581600000000, 0.0000711300000000, 0.0005370700000000 ] - [ 0.0000465800000000, -0.0000941100000000, 0.0003435500000000 ] - [ 0.0001583800000000, -0.0001661400000000, -0.0003166500000000 ] - [ -0.0001413200000000, 0.0001628000000000, 0.0000946400000000 ] - [ -0.0001047900000000, -0.0000067200000000, 0.0003435500000000 ] - [ -0.0002050300000000, 0.0002193000000000, 0.0006671300000000 ] - [ 0.0001406400000000, 0.0000112400000000, 0.0002134300000000 ] - [ -0.0000709100000000, 0.0001022500000000, -0.0003842300000000 ] - [ -0.0002230700000000, 0.0000540900000000, -0.0003166500000000 ] - [ -0.0005581200000000, -0.0001683500000000, 0.0003606300000000 ] - [ -0.0007210600000000, 0.0011755000000000, 0.0009997700000000 ] - [ -0.0031648700000000, -0.0054817200000000, -0.0078991300000000 ] - [ 0.0002924400000000, -0.0000679100000000, 0.0006671300000000 ] - [ -0.0001362200000000, -0.0002337600000000, 0.0003227000000000 ] - [ -0.0001368700000000, -0.0001055800000000, -0.0003153700000000 ] - [ -0.0001522500000000, -0.0002637000000000, 0.0008972400000000 ] - [ -0.0000083100000000, 0.0000621900000000, 0.0005830200000000 ] - [ 0.0002116400000000, -0.0000409900000000, 0.0000946400000000 ] - [ -0.0000854700000000, -0.0001204400000000, -0.0000381900000000 ] - [ 0.0002029900000000, -0.0000419700000000, -0.0005592600000000 ] - [ 0.0025033200000000, -0.0000735000000000, -0.0000365700000000 ] - [ -0.0000429200000000, 0.0000523200000000, 0.0001002300000000 ] - [ -0.0000689000000000, 0.0001265200000000, 0.0011196500000000 ] - [ -0.0002549700000000, -0.0000018700000000, 0.0005394000000000 ] - [ 0.0001402200000000, 0.0002428700000000, 0.0014251700000000 ] - [ 0.0001258600000000, -0.0002217500000000, 0.0005394000000000 ] - [ -0.0014034200000000, -0.0024308000000000, 0.0001141000000000 ] - [ -0.0001826400000000, -0.0003163300000000, 0.0007249600000000 ] - [ 0.0008625100000000, 0.0014939100000000, -0.0000687900000000 ] - [ 0.0004622400000000, -0.0012618100000000, -0.0001137700000000 ] - [ -0.0002855000000000, 0.0000007500000000, 0.0008719100000000 ] - [ 0.0001440200000000, 0.0000035900000000, 0.0011196500000000 ] - [ -0.0013238800000000, -0.0002306000000000, -0.0001137700000000 ] - [ -0.0013153100000000, 0.0021311900000000, -0.0000365700000000 ] - [ -0.0012661100000000, -0.0021929600000000, 0.0000933800000000 ] - [ 0.0001434000000000, -0.0002468800000000, 0.0008719100000000 ] - [ 0.0000667700000000, -0.0000110100000000, 0.0001002300000000 ] - [ 0.0042614100000000, -0.0000371700000000, -0.0045147900000000 ] - [ -0.0021628900000000, 0.0036719000000000, -0.0045147900000000 ] - [ 0.0000984200000000, 0.0001704700000000, 0.0013558500000000 ] - [ -0.0000305200000000, -0.0000528600000000, 0.0072209200000000 ] - [ 0.0005224200000000, -0.0000126500000000, -0.0001032300000000 ] - [ -0.0002721700000000, 0.0004461000000000, -0.0001032300000000 ] - [ -0.0002798900000000, -0.0004847800000000, 0.0002572400000000 ] - [ -0.0000306100000000, -0.0000905000000000, -0.0002333200000000 ] - [ 0.0002013600000000, 0.0000493100000000, 0.0002041800000000 ] - [ 0.0014370700000000, -0.0004881800000000, 0.0007465400000000 ] - [ -0.0003123200000000, -0.0000024600000000, 0.0029886200000000 ] - [ 0.0001824200000000, 0.0001681700000000, -0.0006918700000000 ] - [ 0.0001721700000000, 0.0002982000000000, -0.0005651100000000 ] - [ -0.0002679000000000, 0.0000039500000000, -0.0003874400000000 ] - [ 0.0001879700000000, 0.0001546100000000, -0.0005769000000000 ] - [ -0.0000740900000000, -0.0001283200000000, -0.0010265800000000 ] - [ -0.0002685300000000, 0.0005723100000000, 0.0002450300000000 ] - [ 0.0015180000000000, -0.0029948500000000, 0.0006856100000000 ] - [ 0.0017011800000000, 0.0005222500000000, 0.0009516900000000 ] - [ -0.0010303900000000, 0.0000918900000000, -0.0008817300000000 ] - [ 0.0000843700000000, -0.0002315700000000, -0.0006909500000000 ] - [ 0.0002352500000000, 0.0004074700000000, 0.0001549100000000 ] - [ -0.0002427300000000, -0.0000427200000000, -0.0006909500000000 ] - [ 0.0006425300000000, 0.0008181400000000, -0.0008836400000000 ] - [ -0.0000630700000000, -0.0000717500000000, -0.0002333200000000 ] - [ 0.0001973000000000, 0.0007029700000000, -0.0002858700000000 ] - [ 0.0016042900000000, 0.0006598700000000, 0.0007485300000000 ] - [ -0.0000037900000000, 0.0001186300000000, -0.0003135300000000 ] - [ -0.0000711900000000, -0.0001233100000000, -0.0011953800000000 ] - [ 0.0000399100000000, 0.0002400900000000, -0.0005769000000000 ] - [ 0.0006299000000000, 0.0000536000000000, 0.0002450300000000 ] - [ 0.0000850600000000, -0.0001648900000000, -0.0002428500000000 ] - [ -0.0005736200000000, 0.0000781300000000, 0.0002485000000000 ] - [ -0.0001530400000000, 0.0000018700000000, -0.0006713900000000 ] - [ -0.0002306800000000, 0.0017192900000000, 0.0007485300000000 ] - [ -0.0000194200000000, 0.0000299000000000, 0.0001068200000000 ] - [ -0.0001853300000000, -0.0000087800000000, -0.0002428500000000 ] - [ -0.0000376700000000, -0.0000652500000000, -0.0002336400000000 ] - [ -0.0005365800000000, 0.0001837200000000, -0.0002950700000000 ] - [ 0.0001672900000000, -0.0003135600000000, -0.0006988800000000 ] - [ 0.0008400100000000, 0.0000121100000000, -0.0003844400000000 ] - [ 0.0005101400000000, 0.0005223600000000, -0.0002858700000000 ] - [ -0.0002253200000000, 0.0000903200000000, -0.0005788800000000 ] - [ 0.0021965000000000, 0.0038044500000000, 0.0006079900000000 ] - [ 0.0000577100000000, 0.0000104000000000, -0.0001620200000000 ] - [ 0.0001373700000000, -0.0002300300000000, -0.0003874400000000 ] - [ 0.0000919100000000, -0.0011855600000000, 0.0008732500000000 ] - [ -0.0003552000000000, -0.0000119000000000, -0.0006988800000000 ] - [ -0.0011413100000000, 0.0010004500000000, 0.0007465400000000 ] - [ -0.0017193000000000, 0.0001137000000000, -0.0018487700000000 ] - [ 0.0001860200000000, -0.0007124900000000, -0.0002889500000000 ] - [ 0.0001908800000000, -0.0001499700000000, -0.0005788800000000 ] - [ -0.0001244900000000, -0.0001198600000000, 0.0002013900000000 ] - [ -0.0003983100000000, 0.0017343900000000, 0.0009516900000000 ] - [ -0.0000706500000000, 0.0001300400000000, -0.0007937600000000 ] - [ 0.0001540300000000, -0.0002717100000000, 0.0029886200000000 ] - [ 0.0001479400000000, 0.0000038400000000, -0.0007937600000000 ] - [ -0.0010689200000000, 0.0005384400000000, 0.0008746500000000 ] - [ -0.0002896800000000, -0.0000872300000000, -0.0007355700000000 ] - [ 0.0004273900000000, -0.0003728300000000, -0.0002950700000000 ] - [ 0.0010007600000000, -0.0006564900000000, 0.0008746500000000 ] - [ 0.0000781400000000, -0.0001316000000000, -0.0006713900000000 ] - [ 0.0003180800000000, 0.0005509400000000, -0.0002704600000000 ] - [ 0.0014289200000000, 0.0024749700000000, 0.0007259800000000 ] - [ 0.0001046300000000, 0.0000560300000000, -0.0003135300000000 ] - [ 0.0009581200000000, -0.0014321100000000, -0.0018487700000000 ] - [ -0.0010575800000000, -0.0010431000000000, 0.0007388500000000 ] - [ 0.0001256200000000, 0.0002175700000000, -0.0004806400000000 ] - [ -0.0005040700000000, -0.0008730800000000, -0.0004591800000000 ] - [ -0.0001075600000000, -0.0001863000000000, -0.0093821700000000 ] - [ 0.0003544700000000, -0.0004577000000000, 0.0002485000000000 ] - [ 0.0008805500000000, 0.0015251600000000, -0.0022830800000000 ] - [ 0.0000356100000000, -0.0000018700000000, 0.0001068200000000 ] - [ 0.0004306400000000, -0.0007033500000000, -0.0007745900000000 ] - [ 0.0003872700000000, 0.0009655200000000, -0.0008836400000000 ] - [ -0.0004095200000000, 0.0007335300000000, -0.0003844400000000 ] - [ 0.0000544200000000, 0.0002420700000000, -0.0006918700000000 ] - [ -0.0008244400000000, 0.0000212600000000, -0.0007745900000000 ] - [ 0.0000693000000000, -0.0002944900000000, -0.0007355700000000 ] - [ 0.0005947700000000, -0.0008464000000000, -0.0008817300000000 ] - [ -0.0010726800000000, -0.0005131800000000, 0.0008732500000000 ] - [ -0.0033526200000000, -0.0001828000000000, 0.0006856100000000 ] - [ 0.0023368200000000, -0.0038929900000000, 0.0007860000000000 ] - [ -0.0003497900000000, -0.0006058600000000, 0.0002580100000000 ] - [ 0.0000316400000000, 0.0000548000000000, -0.0007646100000000 ] - [ -0.0007100400000000, -0.0001951500000000, -0.0002889500000000 ] - [ -0.0000579800000000, 0.0001990400000000, 0.0002041800000000 ] - [ -0.0045398400000000, 0.0000772500000000, 0.0007860000000000 ] - [ -0.0003745600000000, -0.0014374400000000, 0.0007388500000000 ] - [ -0.0000198500000000, 0.0000551800000000, -0.0001620200000000 ] - [ -0.0000415600000000, -0.0001677400000000, 0.0002013900000000 ] - [ -0.0000123100000000, -0.0000394800000000, -0.0003663900000000 ] - [ 0.0015961700000000, 0.0027646400000000, 0.0558808900000000 ] - [ 0.0000047400000000, -0.0000207600000000, -0.0001510100000000 ] - [ -0.0002259800000000, 0.0000055600000000, 0.0003357000000000 ] - [ -0.0002557600000000, -0.0000221900000000, -0.0002680300000000 ] - [ -0.0000436600000000, -0.0000756200000000, -0.0010972300000000 ] - [ 0.0001086700000000, -0.0002325900000000, -0.0002680300000000 ] - [ 0.0005924800000000, 0.0010262000000000, -0.0112343100000000 ] - [ 0.0000358000000000, 0.0000620000000000, -0.0003714500000000 ] - [ -0.0000083500000000, -0.0000144600000000, -0.0007134800000000 ] - [ -0.0000280400000000, -0.0000304000000000, -0.0003663900000000 ] - [ 0.0001290900000000, 0.0002235800000000, -0.0002681800000000 ] - [ -0.0000155600000000, 0.0000299500000000, -0.0007258900000000 ] - [ 0.0001178000000000, -0.0001929300000000, 0.0003357000000000 ] - [ 0.0000337200000000, 0.0000015000000000, -0.0007258900000000 ] - [ 0.0001252500000000, 0.0000128400000000, 0.0007180700000000 ] - [ -0.0000203500000000, -0.0000062700000000, -0.0001510100000000 ] - [ -0.0000515000000000, 0.0001148900000000, 0.0007180700000000 ]- atom: 174 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000581600000000, 0.0002396100000000, 0.0002630200000000 ] - [ -0.0000677100000000, 0.0001406900000000, 0.0001809700000000 ] - [ 0.0000407600000000, 0.0000681400000000, 0.0000993700000000 ] - [ 0.0000003600000000, -0.0001610400000000, 0.0001316200000000 ] - [ 0.0021758300000000, 0.0024647300000000, -0.0020893100000000 ] - [ 0.0049818900000000, 0.0018562800000000, 0.0010254000000000 ] - [ -0.0002402400000000, 0.0008511700000000, -0.0001313200000000 ] - [ -0.0001013400000000, 0.0000174400000000, -0.0003695700000000 ] - [ 0.0003560300000000, 0.0000453600000000, 0.0003728200000000 ] - [ -0.0010682000000000, 0.0002502000000000, 0.0002087100000000 ] - [ 0.0000196100000000, 0.0001219600000000, 0.0000980000000000 ] - [ -0.0009216100000000, -0.0004624900000000, 0.0001520700000000 ] - [ -0.0001943400000000, -0.0004894600000000, -0.0001904400000000 ] - [ 0.0003611800000000, -0.0000344300000000, 0.0005026000000000 ] - [ -0.0001813300000000, -0.0006410000000000, -0.0003222200000000 ] - [ -0.0000599000000000, -0.0000942100000000, 0.0001731200000000 ] - [ 0.0001528300000000, 0.0000049200000000, 0.0001785200000000 ] - [ 0.0001480100000000, 0.0000810400000000, 0.0001291700000000 ] - [ -0.0001030900000000, 0.0001596900000000, 0.0000968900000000 ] - [ -0.0001227800000000, -0.0001576900000000, -0.0009742700000000 ] - [ 0.0105493000000000, -0.0004496100000000, -0.0029769300000000 ] - [ 0.0001726300000000, 0.0000652900000000, 0.0001906500000000 ] - [ 0.0001003900000000, -0.0002210400000000, 0.0001689300000000 ] - [ 0.0000339400000000, 0.0000564400000000, 0.0001142100000000 ] - [ 0.0001169000000000, -0.0000651800000000, 0.0002672200000000 ] - [ -0.0001764900000000, 0.0001749800000000, -0.0010338100000000 ] - [ -0.0001733500000000, 0.0004160800000000, -0.0001453800000000 ] - [ 0.0000223900000000, 0.0001518200000000, 0.0003658800000000 ] - [ 0.0001301400000000, 0.0000814900000000, 0.0001840100000000 ] - [ 0.0000483300000000, -0.0000768400000000, 0.0003367200000000 ] - [ 0.0000670500000000, -0.0009112600000000, -0.0001028700000000 ] - [ -0.0000179700000000, 0.0006354600000000, -0.0003948100000000 ] - [ -0.0001493400000000, 0.0001578100000000, 0.0004156700000000 ] - [ 0.0003775000000000, -0.0000305600000000, -0.0003396400000000 ] - [ 0.0025191300000000, -0.0000373900000000, 0.0017881500000000 ] - [ -0.0001112400000000, -0.0000402200000000, 0.0001026400000000 ] - [ 0.0062582000000000, -0.0033901100000000, 0.0020418400000000 ] - [ 0.0001045000000000, -0.0000738100000000, -0.0002513600000000 ] - [ -0.0013630200000000, -0.0003829100000000, 0.0002586500000000 ] - [ -0.0003842000000000, -0.0003478900000000, -0.0001618700000000 ] - [ 0.0006186700000000, 0.0000969400000000, -0.0002107900000000 ] - [ 0.0000586600000000, -0.0000912100000000, 0.0000917800000000 ] - [ -0.0002700200000000, 0.0000834000000000, 0.0003457200000000 ] - [ -0.0000700900000000, -0.0000542200000000, -0.0000956100000000 ] - [ -0.0000040400000000, -0.0001292700000000, 0.0000443400000000 ] - [ 0.0002450700000000, -0.0001285800000000, 0.0002967700000000 ] - [ -0.0004016200000000, -0.0000008100000000, 0.0003751800000000 ] - [ -0.0000554600000000, -0.0001110700000000, -0.0000070200000000 ] - [ -0.0001103400000000, 0.0000642800000000, 0.0000521200000000 ] - [ 0.0004818100000000, -0.0000640400000000, -0.0001296800000000 ] - [ -0.0003822700000000, 0.0002657800000000, 0.0000362500000000 ] - [ -0.0001758000000000, 0.0000493200000000, 0.0002086700000000 ] - [ -0.0001373700000000, 0.0000473700000000, 0.0001224900000000 ] - [ -0.0010736400000000, 0.0003783900000000, 0.0001590600000000 ] - [ -0.0000345400000000, -0.0000330600000000, 0.0001358800000000 ] - [ 0.0001095900000000, 0.0000095300000000, 0.0000217200000000 ] - [ 0.0000255800000000, 0.0000449800000000, -0.0001342200000000 ] - [ -0.0002794800000000, -0.0001179800000000, 0.0002599500000000 ] - [ -0.0001576300000000, -0.0001270800000000, 0.0003417100000000 ] - [ 0.0000056100000000, 0.0001387000000000, 0.0002366100000000 ] - [ -0.0003557200000000, -0.0000373700000000, -0.0004508200000000 ] - [ 0.0032673900000000, -0.0009813500000000, -0.0012664400000000 ] - [ -0.0000356100000000, -0.0001200500000000, 0.0001935400000000 ] - [ 0.0000876300000000, 0.0000278400000000, 0.0004313900000000 ] - [ 0.0000660200000000, 0.0000567400000000, 0.0001202700000000 ] - [ -0.0058710800000000, -0.0003711100000000, -0.0004574600000000 ] - [ 0.0000730800000000, -0.0001039300000000, -0.0001286800000000 ] - [ -0.0004803300000000, 0.0002293800000000, -0.0000276900000000 ] - [ -0.0001052000000000, -0.0000033400000000, -0.0011606600000000 ] - [ 0.0001060300000000, 0.0004806200000000, -0.0001949700000000 ] - [ -0.0016205900000000, 0.0034548200000000, 0.0009088100000000 ] - [ -0.0065253700000000, 0.0002387800000000, -0.0022383800000000 ] - [ -0.0014965200000000, -0.0029940800000000, 0.0007293500000000 ] - [ -0.0008436400000000, -0.0000143900000000, -0.0000772300000000 ] - [ 0.0011951800000000, -0.0045209200000000, 0.0003894100000000 ] - [ -0.0014876800000000, 0.0033305400000000, 0.0006183500000000 ] - [ -0.0000088400000000, -0.0000850800000000, 0.0004027500000000 ] - [ -0.0000918600000000, 0.0000549000000000, 0.0000812400000000 ] - [ 0.0046145400000000, -0.0004250600000000, -0.0000085900000000 ] - [ 0.0000206300000000, -0.0000013000000000, 0.0001261000000000 ] - [ 0.0000414100000000, -0.0008181700000000, -0.0006500100000000 ] - [ -0.0012145300000000, -0.0000346800000000, 0.0003602500000000 ] - [ 0.0001050800000000, 0.0001618500000000, 0.0005032900000000 ] - [ -0.0000866200000000, -0.0000569300000000, 0.0001279400000000 ] - [ -0.0000101100000000, 0.0000124200000000, -0.0001102100000000 ] - [ 0.0000142500000000, -0.0000005000000000, -0.0001409100000000 ] - [ -0.0000077500000000, -0.0000190600000000, 0.0001719900000000 ] - [ 0.0000589700000000, -0.0001694100000000, 0.0000804100000000 ] - [ 0.0001727500000000, 0.0000737200000000, 0.0002856700000000 ] - [ 0.0002938500000000, 0.0000393500000000, 0.0001496200000000 ] - [ 0.0000050800000000, 0.0001478600000000, 0.0007470200000000 ] - [ 0.0027730400000000, 0.0001012700000000, 0.0003037400000000 ] - [ 0.0004616100000000, 0.0002189600000000, -0.0001296700000000 ] - [ 0.0001786700000000, 0.0001932100000000, 0.0001108600000000 ] - [ 0.0002609000000000, 0.0001268000000000, -0.0003263800000000 ] - [ -0.0000221500000000, -0.0000340000000000, -0.0004759800000000 ] - [ 0.0002765800000000, 0.0006129300000000, -0.0006996000000000 ] - [ -0.0002707400000000, 0.0002435900000000, 0.0001597300000000 ] - [ 0.0006159200000000, -0.0001676200000000, 0.0005392000000000 ] - [ -0.0006317600000000, -0.0000245900000000, -0.0003209100000000 ] - [ 0.0005242700000000, 0.0027509500000000, -0.0006798100000000 ] - [ -0.0000228300000000, -0.0000817100000000, 0.0000070600000000 ] - [ 0.0025542300000000, 0.0001309900000000, 0.0002620900000000 ] - [ 0.0004702000000000, 0.0008022500000000, -0.0005720600000000 ] - [ -0.0001821700000000, -0.0000155600000000, 0.0000872300000000 ] - [ 0.0005829300000000, 0.0034831800000000, -0.0017670800000000 ] - [ 0.0003326000000000, 0.0001150700000000, 0.0003188600000000 ] - [ 0.0011310500000000, -0.0045747800000000, -0.0014889200000000 ] - [ 0.0000485500000000, -0.0000971300000000, -0.0001822300000000 ] - [ -0.0012913600000000, -0.0001324900000000, 0.0005598700000000 ] - [ 0.0003871300000000, -0.0007932800000000, -0.0009880800000000 ] - [ 0.0000721200000000, -0.0001791700000000, -0.0001576800000000 ] - [ -0.0000584500000000, 0.0000592600000000, -0.0001587700000000 ] - [ -0.0000525600000000, 0.0013223600000000, 0.0000169200000000 ] - [ 0.0000269300000000, 0.0002833000000000, 0.0002714200000000 ] - [ 0.0000966700000000, 0.0000021600000000, 0.0013551900000000 ] - [ -0.0001964100000000, 0.0000182400000000, -0.0001592700000000 ] - [ 0.0000144700000000, -0.0000113400000000, -0.0000010600000000 ] - [ 0.0004096800000000, 0.0006932500000000, -0.0003057000000000 ] - [ 0.0026034800000000, 0.0001933300000000, 0.0002994300000000 ] - [ 0.0003759900000000, -0.0007657900000000, -0.0002377900000000 ] - [ -0.0001118900000000, -0.0014207000000000, 0.0001543700000000 ] - [ -0.0019882000000000, 0.0000546900000000, -0.0020013100000000 ] - [ -0.0000929400000000, -0.0002592000000000, 0.0002973100000000 ] - [ 0.0000808100000000, -0.0000013600000000, -0.0002657900000000 ] - [ -0.0014224800000000, 0.0002178200000000, 0.0009611700000000 ] - [ 0.0003762300000000, 0.0000392100000000, 0.0000281400000000 ] - [ -0.0013065100000000, 0.0008841100000000, -0.0006602300000000 ] - [ -0.0002008300000000, 0.0002333300000000, 0.0001398100000000 ] - [ -0.0001522900000000, 0.0001237400000000, 0.0002838500000000 ] - [ 0.0022776800000000, -0.0013388800000000, -0.0002215600000000 ] - [ 0.0004614700000000, -0.0001386300000000, -0.0002902900000000 ] - [ -0.0002344600000000, -0.0001368200000000, 0.0002573300000000 ] - [ -0.0003807600000000, 0.0003018600000000, 0.0005585500000000 ] - [ -0.0008234800000000, 0.0001744700000000, -0.0001635100000000 ] - [ 0.0002232500000000, 0.0000057600000000, 0.0001421300000000 ] - [ 0.0002390100000000, -0.0000081100000000, -0.0001741600000000 ] - [ -0.0001781900000000, 0.0004218200000000, 0.0001347600000000 ] - [ 0.0002498200000000, -0.0002578600000000, -0.0000897900000000 ] - [ 0.0008569100000000, -0.0045588300000000, -0.0025356400000000 ] - [ 0.0007057600000000, 0.0000330800000000, -0.0006171900000000 ] - [ 0.0019922700000000, 0.0000989000000000, -0.0000707500000000 ] - [ -0.0000472500000000, -0.0004167300000000, 0.0000505300000000 ] - [ -0.0004136400000000, -0.0007847400000000, 0.0005691100000000 ] - [ 0.0010008400000000, -0.0008097100000000, -0.0000563200000000 ] - [ 0.0002244500000000, -0.0000952700000000, 0.0002661700000000 ] - [ -0.0000664900000000, -0.0003543800000000, 0.0001469200000000 ] - [ -0.0002443500000000, -0.0019691100000000, 0.0001600000000000 ] - [ 0.0021027500000000, 0.0010733900000000, -0.0001238400000000 ] - [ -0.0000099800000000, -0.0000477000000000, -0.0002656300000000 ] - [ 0.0000787100000000, 0.0000128800000000, -0.0001455800000000 ] - [ 0.0001431300000000, 0.0002011400000000, -0.0001693500000000 ] - [ -0.0000438100000000, 0.0000821300000000, 0.0005111800000000 ] - [ 0.0004043300000000, -0.0006333200000000, -0.0003207400000000 ] - [ 0.0003672500000000, 0.0006561800000000, -0.0003206800000000 ] - [ -0.0000142400000000, 0.0012038300000000, 0.0000734700000000 ] - [ 0.0002932400000000, 0.0017321100000000, -0.0006465600000000 ] - [ -0.0009418400000000, 0.0000297600000000, -0.0005665500000000 ] - [ 0.0001418100000000, -0.0002005500000000, -0.0003364900000000 ] - [ 0.0003852100000000, -0.0007051500000000, -0.0005766200000000 ] - [ -0.0001251700000000, 0.0004118500000000, 0.0005916200000000 ] - [ 0.0002679500000000, -0.0001568100000000, 0.0001067800000000 ] - [ 0.0003829500000000, -0.0000055000000000, 0.0000191000000000 ] - [ 0.0013578500000000, -0.0000870200000000, 0.0021587000000000 ] - [ 0.0003004700000000, -0.0007481500000000, -0.0010649000000000 ] - [ 0.0062448100000000, -0.0004180800000000, 0.0033099300000000 ] - [ -0.0000230100000000, 0.0002313100000000, 0.0002665200000000 ] - [ 0.0000548600000000, 0.0002700600000000, 0.0003259900000000 ] - [ -0.0002832900000000, -0.0001433600000000, 0.0001230200000000 ] - [ -0.0000667800000000, 0.0000578900000000, -0.0002601500000000 ] - [ -0.0000022200000000, -0.0002253900000000, 0.0002741100000000 ] - [ -0.0000251200000000, -0.0001581500000000, 0.0000971000000000 ] - [ 0.0000243200000000, -0.0000915900000000, 0.0000923100000000 ] - [ -0.0353010500000000, 0.0052401600000000, 0.0019597500000000 ] - [ -0.0000265200000000, -0.0001666900000000, 0.0001664000000000 ] - [ -0.0000018700000000, -0.0000519900000000, 0.0000342700000000 ] - [ 0.0004962500000000, -0.0000560200000000, 0.0000790400000000 ] - [ -0.0000430500000000, 0.0000281700000000, 0.0000330400000000 ] - [ 0.0003739300000000, 0.0003288700000000, 0.0001515300000000 ] - [ 0.0001929600000000, 0.0000347000000000, -0.0002494700000000 ] - [ 0.0015008100000000, -0.0000836000000000, -0.0011674600000000 ] - [ -0.0000798800000000, 0.0001154500000000, 0.0000812700000000 ] - [ 0.0000467200000000, 0.0000202700000000, -0.0000161100000000 ] - [ -0.0001243900000000, 0.0008347500000000, 0.0000116600000000 ] - [ -0.0023436800000000, -0.0002781300000000, 0.0007216900000000 ] - [ -0.0000291800000000, -0.0008838000000000, 0.0000476600000000 ] - [ 0.0001802100000000, -0.0000051100000000, 0.0000907200000000 ] - [ 0.0003648700000000, 0.0001203800000000, 0.0000913400000000 ] - [ -0.0002293700000000, 0.0001017000000000, 0.0001383500000000 ]- atom: 174 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001094600000000, 0.0001802200000000, 0.0001709500000000 ] - [ -0.0000449400000000, 0.0000851700000000, 0.0001529700000000 ] - [ -0.0000943800000000, 0.0000402900000000, 0.0001829100000000 ] - [ 0.0000192100000000, -0.0001090000000000, 0.0001060800000000 ] - [ -0.0023899800000000, -0.0020473900000000, 0.0016668900000000 ] - [ -0.0052286100000000, -0.0023440200000000, -0.0010842700000000 ] - [ 0.0006928500000000, -0.0008523900000000, 0.0001203000000000 ] - [ -0.0001601900000000, -0.0004703000000000, -0.0000754000000000 ] - [ -0.0004830800000000, 0.0001960300000000, -0.0002483600000000 ] - [ 0.0008352700000000, 0.0001442900000000, -0.0002183700000000 ] - [ -0.0000038500000000, 0.0001625700000000, 0.0001336200000000 ] - [ 0.0007812800000000, 0.0000277900000000, -0.0004070400000000 ] - [ -0.0000030500000000, 0.0000863600000000, -0.0003911600000000 ] - [ -0.0003334500000000, -0.0001249400000000, -0.0000019400000000 ] - [ 0.0006152700000000, 0.0005301200000000, 0.0000609400000000 ] - [ -0.0000580700000000, -0.0001101300000000, 0.0001643700000000 ] - [ 0.0000984700000000, 0.0000104900000000, 0.0001544700000000 ] - [ 0.0000896900000000, 0.0000759500000000, 0.0001023300000000 ] - [ 0.0000734100000000, 0.0001401700000000, 0.0000131300000000 ] - [ -0.0000742100000000, 0.0005847900000000, 0.0003953100000000 ] - [ -0.0093761400000000, 0.0003724100000000, 0.0025955700000000 ] - [ 0.0001034400000000, 0.0000585900000000, -0.0000821200000000 ] - [ -0.0000466100000000, -0.0002124600000000, 0.0002630600000000 ] - [ 0.0000870800000000, -0.0000490700000000, 0.0001675100000000 ] - [ 0.0001601500000000, 0.0000731600000000, 0.0003268900000000 ] - [ -0.0000779200000000, -0.0005482600000000, 0.0004558700000000 ] - [ 0.0000655500000000, -0.0002132500000000, -0.0001853200000000 ] - [ -0.0001737500000000, -0.0002029300000000, 0.0001317600000000 ] - [ 0.0002082000000000, 0.0001730200000000, 0.0002503500000000 ] - [ -0.0000314500000000, 0.0002344100000000, 0.0001570900000000 ] - [ 0.0006814700000000, 0.0009037900000000, 0.0001427900000000 ] - [ 0.0005307900000000, -0.0006250000000000, -0.0000537100000000 ] - [ 0.0002772400000000, -0.0000647400000000, 0.0000781600000000 ] - [ -0.0002401100000000, -0.0000772800000000, 0.0008328900000000 ] - [ -0.0022584100000000, 0.0001251900000000, -0.0018901500000000 ] - [ -0.0001319200000000, -0.0000776500000000, 0.0001347700000000 ] - [ -0.0066959600000000, 0.0042050200000000, -0.0020901300000000 ] - [ -0.0002340200000000, 0.0005075500000000, -0.0000094000000000 ] - [ 0.0009848300000000, -0.0002751400000000, -0.0002204800000000 ] - [ 0.0002556400000000, 0.0001238700000000, 0.0002873300000000 ] - [ -0.0001535500000000, -0.0000481700000000, -0.0003732100000000 ] - [ 0.0001686200000000, -0.0000908300000000, 0.0001427900000000 ] - [ 0.0001635800000000, -0.0002719800000000, -0.0006819300000000 ] - [ -0.0001535500000000, 0.0004466500000000, 0.0000846200000000 ] - [ -0.0000279800000000, -0.0001782200000000, 0.0000549000000000 ] - [ 0.0000950100000000, -0.0001213900000000, 0.0001355200000000 ] - [ 0.0001185000000000, 0.0003621000000000, -0.0009525100000000 ] - [ -0.0001961500000000, -0.0000718600000000, 0.0001051500000000 ] - [ -0.0001277400000000, 0.0001132900000000, 0.0000557700000000 ] - [ -0.0002520500000000, 0.0000698400000000, -0.0002021900000000 ] - [ 0.0002227700000000, -0.0002041700000000, 0.0004545900000000 ] - [ -0.0002111500000000, 0.0001210500000000, 0.0002229500000000 ] - [ -0.0001333800000000, 0.0000586400000000, 0.0001113600000000 ] - [ 0.0007633400000000, -0.0000615200000000, -0.0004219500000000 ] - [ -0.0000325400000000, -0.0000835000000000, 0.0001390900000000 ] - [ 0.0001632900000000, -0.0001272900000000, 0.0000854600000000 ] - [ -0.0002475600000000, -0.0004273200000000, 0.0001270400000000 ] - [ -0.0001230800000000, -0.0000520800000000, 0.0001711100000000 ] - [ 0.0000187300000000, -0.0001136000000000, 0.0002504200000000 ] - [ -0.0001386800000000, 0.0001066700000000, 0.0003552000000000 ] - [ 0.0008124100000000, -0.0000287300000000, -0.0001252800000000 ] - [ -0.0035338600000000, 0.0006942400000000, 0.0010756300000000 ] - [ 0.0003039000000000, 0.0001327100000000, -0.0000719700000000 ] - [ -0.0000372800000000, -0.0001176900000000, 0.0001582700000000 ] - [ -0.0001346800000000, 0.0000559100000000, 0.0001162200000000 ] - [ 0.0059123700000000, 0.0003702400000000, 0.0006326400000000 ] - [ -0.0000717300000000, 0.0001042500000000, -0.0008642600000000 ] - [ 0.0007615800000000, 0.0002542500000000, -0.0000695900000000 ] - [ 0.0001022800000000, 0.0000038000000000, 0.0001718600000000 ] - [ -0.0001022900000000, -0.0004818400000000, 0.0010976600000000 ] - [ 0.0016267500000000, -0.0034696400000000, -0.0015873800000000 ] - [ 0.0067414500000000, 0.0001710900000000, 0.0017619900000000 ] - [ 0.0010237400000000, 0.0029845900000000, -0.0012027800000000 ] - [ 0.0002777800000000, 0.0000189000000000, -0.0000202000000000 ] - [ -0.0011768600000000, 0.0045103700000000, -0.0002249800000000 ] - [ 0.0017133600000000, -0.0037210500000000, -0.0010917600000000 ] - [ -0.0000966000000000, 0.0000837700000000, 0.0001863200000000 ] - [ 0.0001500200000000, 0.0000421700000000, 0.0005119900000000 ] - [ -0.0043218500000000, -0.0000702700000000, -0.0001133300000000 ] - [ 0.0001107800000000, -0.0000003100000000, 0.0001101600000000 ] - [ -0.0000217000000000, 0.0008117700000000, 0.0000577000000000 ] - [ 0.0011957400000000, 0.0000435800000000, -0.0009567800000000 ] - [ -0.0001030700000000, -0.0001613300000000, 0.0001964500000000 ] - [ 0.0000188200000000, -0.0000603400000000, 0.0001104400000000 ] - [ 0.0000083800000000, -0.0000161900000000, -0.0001289100000000 ] - [ -0.0000165800000000, -0.0000026000000000, -0.0000983300000000 ] - [ 0.0000096700000000, 0.0000231400000000, 0.0001564900000000 ] - [ 0.0000549500000000, -0.0000245600000000, 0.0001716900000000 ] - [ 0.0002517300000000, 0.0001000200000000, 0.0002671100000000 ] - [ 0.0003298700000000, -0.0000439000000000, 0.0002724600000000 ] - [ -0.0000067800000000, -0.0001494500000000, 0.0003168300000000 ] - [ -0.0025910600000000, 0.0001823600000000, -0.0009640700000000 ] - [ -0.0003034200000000, 0.0000575300000000, 0.0000312000000000 ] - [ -0.0004863800000000, -0.0001871100000000, -0.0002075200000000 ] - [ 0.0000074900000000, 0.0000251000000000, -0.0001742900000000 ] - [ 0.0000202200000000, 0.0000314100000000, -0.0003342800000000 ] - [ -0.0001919300000000, -0.0006152700000000, 0.0011456700000000 ] - [ -0.0002291000000000, 0.0001437400000000, 0.0002121900000000 ] - [ 0.0004862500000000, 0.0001724600000000, 0.0002598100000000 ] - [ -0.0010283700000000, -0.0000281700000000, -0.0006443700000000 ] - [ -0.0003249400000000, -0.0030149600000000, 0.0000250400000000 ] - [ -0.0000702900000000, -0.0000784500000000, -0.0001963700000000 ] - [ -0.0029070300000000, -0.0000955300000000, -0.0009179300000000 ] - [ 0.0003979500000000, 0.0006044000000000, -0.0003930500000000 ] - [ -0.0000443600000000, 0.0000180000000000, 0.0001655200000000 ] - [ -0.0002987100000000, -0.0030357600000000, 0.0015209600000000 ] - [ 0.0002263100000000, 0.0001258000000000, 0.0000534900000000 ] - [ -0.0012673200000000, 0.0047846800000000, 0.0014936900000000 ] - [ -0.0001814300000000, -0.0001319300000000, -0.0001883300000000 ] - [ 0.0012921600000000, 0.0004441800000000, -0.0010519300000000 ] - [ -0.0004320000000000, 0.0008609100000000, 0.0014336900000000 ] - [ 0.0001541900000000, -0.0002047200000000, -0.0001737700000000 ] - [ -0.0000354700000000, 0.0000887800000000, -0.0000304900000000 ] - [ 0.0000492500000000, -0.0013168400000000, -0.0000472300000000 ] - [ -0.0000993200000000, 0.0003224300000000, 0.0001018100000000 ] - [ -0.0000985600000000, -0.0000060700000000, 0.0002653700000000 ] - [ -0.0002490600000000, -0.0000144600000000, -0.0001721600000000 ] - [ 0.0000971800000000, 0.0002065600000000, 0.0002524900000000 ] - [ -0.0006136300000000, -0.0007010200000000, -0.0000262500000000 ] - [ -0.0024803300000000, -0.0005069500000000, -0.0009566900000000 ] - [ -0.0008883200000000, 0.0007722400000000, -0.0000043800000000 ] - [ 0.0003609400000000, 0.0018750200000000, -0.0004004000000000 ] - [ 0.0017180500000000, 0.0001100400000000, 0.0015018700000000 ] - [ -0.0002210100000000, -0.0002834100000000, 0.0001274300000000 ] - [ 0.0000494500000000, 0.0000073000000000, -0.0002525100000000 ] - [ 0.0015852400000000, -0.0004785800000000, -0.0010431300000000 ] - [ -0.0004514400000000, -0.0001830600000000, 0.0002927600000000 ] - [ 0.0009605800000000, -0.0009248600000000, 0.0000118000000000 ] - [ -0.0001142100000000, 0.0003035600000000, 0.0002818600000000 ] - [ -0.0002149200000000, 0.0001541000000000, 0.0002697400000000 ] - [ -0.0020129900000000, 0.0008552800000000, -0.0000252700000000 ] - [ -0.0001880900000000, -0.0000092200000000, -0.0002145900000000 ] - [ -0.0001145800000000, -0.0001350700000000, 0.0002937900000000 ] - [ -0.0001694300000000, 0.0006592800000000, 0.0002401000000000 ] - [ 0.0006909900000000, 0.0000660100000000, -0.0001948300000000 ] - [ -0.0002230500000000, -0.0000068800000000, 0.0009246800000000 ] - [ 0.0000333700000000, 0.0000144700000000, -0.0001928700000000 ] - [ 0.0000921000000000, -0.0002697400000000, 0.0001800100000000 ] - [ -0.0005139600000000, 0.0001035300000000, -0.0004117800000000 ] - [ -0.0007398900000000, 0.0043751300000000, 0.0022060900000000 ] - [ -0.0005272200000000, -0.0000303900000000, 0.0009342400000000 ] - [ -0.0020028800000000, -0.0000963800000000, 0.0000393500000000 ] - [ 0.0000473200000000, 0.0004204900000000, -0.0009216500000000 ] - [ -0.0001364100000000, -0.0001666700000000, 0.0002300600000000 ] - [ -0.0007630000000000, 0.0008113800000000, 0.0000606500000000 ] - [ 0.0001993100000000, -0.0000837000000000, 0.0002875100000000 ] - [ -0.0000060500000000, -0.0002635000000000, 0.0002249800000000 ] - [ 0.0001232500000000, 0.0017607600000000, -0.0001546000000000 ] - [ -0.0019941900000000, -0.0008929900000000, -0.0002080100000000 ] - [ -0.0000499800000000, -0.0000557600000000, -0.0002525100000000 ] - [ 0.0000966900000000, -0.0000200800000000, -0.0000441000000000 ] - [ 0.0000803300000000, 0.0001867000000000, -0.0001639000000000 ] - [ 0.0000410300000000, -0.0000871500000000, 0.0011126900000000 ] - [ 0.0004620300000000, -0.0007822700000000, -0.0006452600000000 ] - [ 0.0004183400000000, 0.0008003100000000, -0.0006455100000000 ] - [ 0.0002820800000000, -0.0016500200000000, -0.0003187700000000 ] - [ -0.0001570300000000, -0.0014195500000000, -0.0000039800000000 ] - [ -0.0007161800000000, 0.0000117900000000, -0.0003982200000000 ] - [ -0.0001452800000000, -0.0001045700000000, -0.0001641900000000 ] - [ 0.0003986600000000, -0.0007594900000000, -0.0003876300000000 ] - [ 0.0000357300000000, -0.0005526100000000, -0.0002739800000000 ] - [ 0.0003176200000000, -0.0000824400000000, 0.0002653000000000 ] - [ -0.0004630500000000, 0.0001377000000000, 0.0003034100000000 ] - [ -0.0013951600000000, 0.0000093400000000, -0.0016941600000000 ] - [ -0.0003047800000000, 0.0007454300000000, 0.0009863500000000 ] - [ -0.0067338600000000, 0.0003962600000000, -0.0035221000000000 ] - [ -0.0000392300000000, 0.0002223700000000, 0.0002863900000000 ] - [ 0.0000974700000000, -0.0002741300000000, -0.0000045300000000 ] - [ -0.0002147300000000, -0.0002278500000000, 0.0002487400000000 ] - [ 0.0000068700000000, 0.0000583000000000, -0.0002584300000000 ] - [ -0.0000593100000000, -0.0002123600000000, 0.0002765200000000 ] - [ 0.0000683800000000, 0.0000720300000000, -0.0001430900000000 ] - [ -0.0001395300000000, -0.0001072600000000, 0.0001029400000000 ] - [ 0.0347052200000000, -0.0052668900000000, -0.0015423700000000 ] - [ -0.0004319100000000, 0.0001703700000000, 0.0001700500000000 ] - [ 0.0000284300000000, 0.0000049700000000, 0.0000080800000000 ] - [ -0.0004988800000000, 0.0000552600000000, 0.0000781700000000 ] - [ -0.0000108600000000, -0.0000287000000000, 0.0000092700000000 ] - [ -0.0001399900000000, 0.0000778400000000, 0.0001835200000000 ] - [ -0.0001525600000000, 0.0000382400000000, 0.0001960400000000 ] - [ -0.0014796600000000, 0.0001115600000000, 0.0004548400000000 ] - [ -0.0000139600000000, -0.0001208100000000, -0.0001275100000000 ] - [ -0.0000217000000000, 0.0000239400000000, 0.0000565100000000 ] - [ 0.0001143900000000, -0.0008262700000000, -0.0007215000000000 ] - [ 0.0025737000000000, -0.0001124500000000, -0.0004275600000000 ] - [ 0.0000453700000000, 0.0008760700000000, -0.0007579900000000 ] - [ 0.0000569000000000, 0.0000070900000000, 0.0001029600000000 ] - [ -0.0003800000000000, -0.0001354900000000, 0.0000670000000000 ] - [ 0.0001131500000000, 0.0001048600000000, 0.0000524600000000 ]- atom: 174 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000663700000000, 0.0001524800000000, -0.0001220200000000 ] - [ -0.0000471700000000, 0.0000817000000000, -0.0001827600000000 ] - [ -0.0000768000000000, 0.0001330300000000, -0.0003844700000000 ] - [ 0.0000189700000000, -0.0001330000000000, -0.0002255400000000 ] - [ -0.0020565900000000, 0.0035621200000000, 0.0008881200000000 ] - [ 0.0010445700000000, 0.0023285900000000, 0.0056165500000000 ] - [ 0.0001124200000000, 0.0000713500000000, 0.0006650600000000 ] - [ -0.0001101300000000, -0.0002040400000000, 0.0003184800000000 ] - [ 0.0003730400000000, -0.0006461200000000, -0.0010279400000000 ] - [ -0.0000114900000000, 0.0001447400000000, 0.0006112300000000 ] - [ -0.0000115900000000, 0.0001153600000000, -0.0002543700000000 ] - [ -0.0000409500000000, -0.0002495300000000, 0.0003394700000000 ] - [ -0.0001319800000000, -0.0002783100000000, -0.0002437400000000 ] - [ 0.0004875200000000, 0.0007191600000000, -0.0007714500000000 ] - [ 0.0002365700000000, -0.0000893000000000, 0.0003394700000000 ] - [ -0.0000205000000000, -0.0000934900000000, -0.0002038300000000 ] - [ 0.0000912200000000, -0.0000289900000000, -0.0002038300000000 ] - [ 0.0001036600000000, 0.0001128300000000, -0.0002575000000000 ] - [ 0.0000384300000000, 0.0000796100000000, -0.0002003300000000 ] - [ -0.0008200800000000, -0.0001656000000000, -0.0004377600000000 ] - [ -0.0025389000000000, 0.0002596700000000, 0.0056165500000000 ] - [ 0.0005222400000000, 0.0000365200000000, -0.0006262500000000 ] - [ -0.0000117800000000, -0.0002641400000000, -0.0003085700000000 ] - [ 0.0000232300000000, 0.0000027400000000, -0.0001859700000000 ] - [ 0.0000567500000000, -0.0000239300000000, 0.0000388900000000 ] - [ -0.0009649800000000, 0.0001923800000000, -0.0004879800000000 ] - [ -0.0001135300000000, 0.0001966500000000, -0.0001722000000000 ] - [ -0.0001273200000000, -0.0001570200000000, 0.0000703200000000 ] - [ 0.0001000300000000, 0.0001260200000000, -0.0001197700000000 ] - [ -0.0000104000000000, 0.0001635900000000, 0.0001036100000000 ] - [ 0.0002602700000000, -0.0001018300000000, 0.0006827400000000 ] - [ 0.0002317700000000, -0.0000066500000000, 0.0003184800000000 ] - [ 0.0001996400000000, 0.0000317500000000, 0.0000703200000000 ] - [ -0.0008665700000000, -0.0000626200000000, -0.0007714500000000 ] - [ 0.0016983600000000, 0.0001145600000000, 0.0030128600000000 ] - [ -0.0001495400000000, -0.0000333600000000, -0.0002575000000000 ] - [ 0.0017966100000000, -0.0031118300000000, 0.0060147700000000 ] - [ -0.0001580700000000, 0.0001731000000000, 0.0003432800000000 ] - [ -0.0000419500000000, -0.0002763200000000, 0.0006827400000000 ] - [ -0.0001306800000000, -0.0001793400000000, -0.0000858300000000 ] - [ 0.0003158800000000, 0.0009318900000000, -0.0004879800000000 ] - [ 0.0001056900000000, -0.0000829300000000, -0.0002255400000000 ] - [ 0.0005447600000000, -0.0005445700000000, -0.0003200400000000 ] - [ -0.0001196000000000, 0.0000823200000000, 0.0006112300000000 ] - [ -0.0000053000000000, -0.0000399000000000, -0.0002154300000000 ] - [ 0.0002346400000000, -0.0001218700000000, -0.0003085700000000 ] - [ 0.0005534500000000, 0.0006274200000000, -0.0004377600000000 ] - [ -0.0002927400000000, -0.0004340100000000, -0.0006262500000000 ] - [ -0.0000881600000000, 0.0000065200000000, -0.0002003300000000 ] - [ 0.0001992300000000, -0.0007440600000000, -0.0003200400000000 ] - [ -0.0001364800000000, 0.0000908000000000, 0.0001036100000000 ] - [ -0.0001652400000000, 0.0000187600000000, -0.0001220200000000 ] - [ -0.0000941100000000, 0.0000677100000000, -0.0002543700000000 ] - [ -0.0000708700000000, 0.0002234500000000, 0.0003432800000000 ] - [ -0.0000139800000000, -0.0000187500000000, -0.0001859700000000 ] - [ 0.0000372100000000, -0.0000153600000000, -0.0002154300000000 ] - [ -0.0001180100000000, -0.0000616900000000, 0.0006650600000000 ] - [ -0.0001591500000000, -0.0000236200000000, -0.0001197700000000 ] - [ -0.0000076500000000, -0.0000611100000000, 0.0000388900000000 ] - [ -0.0002541600000000, 0.0004402300000000, -0.0004122900000000 ] - [ 0.0003070100000000, -0.0000248600000000, -0.0002437400000000 ] - [ -0.0009484000000000, -0.0014135400000000, 0.0030128600000000 ] - [ 0.0002206500000000, 0.0000235000000000, -0.0000858300000000 ] - [ 0.0001801800000000, -0.0003120800000000, -0.0007625600000000 ] - [ -0.0000355500000000, 0.0000615800000000, -0.0012858000000000 ] - [ -0.0019562800000000, -0.0001095700000000, 0.0040602400000000 ] - [ 0.0002006000000000, 0.0003168800000000, -0.0013873800000000 ] - [ 0.0000785300000000, 0.0002478000000000, -0.0002326000000000 ] - [ -0.0003747200000000, -0.0000152800000000, -0.0013873800000000 ] - [ -0.0005770000000000, 0.0009993900000000, 0.0002801900000000 ] - [ 0.0010634600000000, -0.0018419700000000, 0.0002695600000000 ] - [ -0.0028262900000000, 0.0002073100000000, -0.0001231100000000 ] - [ 0.0012336100000000, 0.0025513000000000, -0.0001231100000000 ] - [ -0.0002538600000000, 0.0000558900000000, -0.0002326000000000 ] - [ 0.0010730300000000, 0.0016394100000000, 0.0040602400000000 ] - [ 0.0020576900000000, -0.0035640300000000, -0.0000533300000000 ] - [ 0.0000726200000000, 0.0002494800000000, -0.0007317600000000 ] - [ -0.0002523600000000, 0.0000618500000000, -0.0007317600000000 ] - [ 0.0008419000000000, -0.0014582100000000, -0.0060830900000000 ] - [ 0.0000751200000000, 0.0000009200000000, -0.0008287100000000 ] - [ -0.0008979700000000, -0.0014432200000000, -0.0011943900000000 ] - [ 0.0016988500000000, 0.0000560500000000, -0.0011943900000000 ] - [ 0.0002230000000000, -0.0003862500000000, -0.0007136700000000 ] - [ -0.0000383600000000, -0.0000646000000000, -0.0008287100000000 ] - [ 0.0000004100000000, -0.0000027100000000, 0.0001969900000000 ] - [ 0.0000021400000000, -0.0000017100000000, 0.0001969900000000 ] - [ 0.0000051000000000, -0.0000088400000000, 0.0004758800000000 ] - [ 0.0000158300000000, -0.0000274200000000, 0.0003730200000000 ] - [ 0.0001525400000000, -0.0000352900000000, 0.0008041700000000 ] - [ 0.0003524200000000, -0.0000446800000000, 0.0005072000000000 ] - [ 0.0001822400000000, 0.0002949500000000, 0.0012291700000000 ] - [ 0.0016010000000000, 0.0004765500000000, -0.0014779000000000 ] - [ 0.0000161500000000, 0.0000913900000000, -0.0000926200000000 ] - [ -0.0000872200000000, 0.0000317000000000, -0.0000926200000000 ] - [ 0.0001050700000000, -0.0000429400000000, -0.0002682700000000 ] - [ -0.0000349600000000, 0.0000605500000000, 0.0003538500000000 ] - [ -0.0002754300000000, -0.0005663600000000, 0.0002590700000000 ] - [ -0.0002918300000000, 0.0001991100000000, 0.0004795700000000 ] - [ 0.0009002500000000, -0.0001343400000000, 0.0005428000000000 ] - [ -0.0005575400000000, -0.0000201700000000, -0.0001088500000000 ] - [ -0.0004596800000000, -0.0015195600000000, -0.0014635900000000 ] - [ 0.0000010200000000, -0.0000849500000000, 0.0006089900000000 ] - [ 0.0003262300000000, 0.0000472700000000, -0.0010732900000000 ] - [ 0.0002962400000000, 0.0004727600000000, -0.0001088500000000 ] - [ -0.0003689800000000, 0.0002165200000000, 0.0005441600000000 ] - [ -0.0014122600000000, -0.0027586300000000, -0.0000863300000000 ] - [ 0.0006000000000000, 0.0001075600000000, 0.0006191200000000 ] - [ -0.0013605900000000, 0.0023566200000000, -0.0010395500000000 ] - [ -0.0000578100000000, -0.0001153100000000, 0.0000046000000000 ] - [ 0.0001651700000000, 0.0008855100000000, 0.0019067300000000 ] - [ -0.0004762600000000, 0.0008249100000000, 0.0006231200000000 ] - [ 0.0000411300000000, -0.0000712500000000, 0.0003719100000000 ] - [ -0.0000720500000000, 0.0001248000000000, 0.0006258600000000 ] - [ 0.0001626700000000, 0.0002609400000000, -0.0023693700000000 ] - [ -0.0000265200000000, 0.0003522900000000, 0.0004795700000000 ] - [ 0.0002851200000000, 0.0000109800000000, 0.0013438200000000 ] - [ -0.0001027100000000, 0.0000043500000000, 0.0001933900000000 ] - [ -0.0000030200000000, 0.0004278100000000, 0.0005441600000000 ] - [ -0.0011631000000000, -0.0005078200000000, -0.0005797500000000 ] - [ 0.0015458200000000, -0.0003616800000000, -0.0014635900000000 ] - [ -0.0017306500000000, 0.0007131100000000, -0.0007259200000000 ] - [ 0.0002477600000000, 0.0018553400000000, -0.0007259200000000 ] - [ -0.0008494600000000, 0.0002997200000000, 0.0019067300000000 ] - [ -0.0001375200000000, -0.0003275400000000, 0.0005072000000000 ] - [ 0.0000569700000000, 0.0000024900000000, 0.0003749100000000 ] - [ 0.0001230800000000, -0.0002131700000000, 0.0032703800000000 ] - [ -0.0004453800000000, -0.0002782500000000, 0.0002138400000000 ] - [ -0.0012132100000000, -0.0011482300000000, -0.0014779000000000 ] - [ -0.0003173500000000, 0.0005496700000000, 0.0006583100000000 ] - [ -0.0000660000000000, 0.0001476300000000, 0.0006326800000000 ] - [ 0.0011752000000000, -0.0009573900000000, -0.0006210800000000 ] - [ 0.0000695700000000, -0.0000440800000000, -0.0002871900000000 ] - [ -0.0000457100000000, -0.0001497500000000, 0.0008041700000000 ] - [ 0.0001734000000000, -0.0003003400000000, 0.0006684900000000 ] - [ -0.0001652400000000, 0.0002862000000000, 0.0023904100000000 ] - [ -0.0003465600000000, -0.0000103500000000, 0.0012291700000000 ] - [ 0.0001287700000000, -0.0000075900000000, 0.0000046000000000 ] - [ 0.0000269100000000, 0.0005156800000000, 0.0002276200000000 ] - [ -0.0000153500000000, -0.0001124600000000, -0.0002682700000000 ] - [ -0.0026001400000000, 0.0045035800000000, 0.0004676600000000 ] - [ -0.0012808400000000, -0.0000301400000000, 0.0009264300000000 ] - [ -0.0003073200000000, -0.0000104100000000, -0.0023693700000000 ] - [ 0.0002453600000000, -0.0004249800000000, -0.0004227300000000 ] - [ -0.0003337800000000, -0.0008468100000000, 0.0005428000000000 ] - [ -0.0008481100000000, 0.0003773300000000, -0.0005664000000000 ] - [ 0.0001629000000000, 0.0000215800000000, 0.0006309200000000 ] - [ -0.0001023300000000, -0.0003053400000000, 0.0004943400000000 ] - [ 0.0000972700000000, 0.0009231500000000, -0.0005664000000000 ] - [ 0.0010213400000000, 0.0007533600000000, -0.0005797500000000 ] - [ -0.0000306400000000, -0.0000480900000000, 0.0003749100000000 ] - [ 0.0000730500000000, -0.0000433600000000, 0.0006089900000000 ] - [ 0.0000475900000000, 0.0000911200000000, 0.0001933900000000 ] - [ -0.0001520700000000, -0.0002414300000000, 0.0013438200000000 ] - [ 0.0005614600000000, -0.0006304300000000, -0.0001252000000000 ] - [ 0.0005257400000000, 0.0006677200000000, -0.0001242100000000 ] - [ 0.0002415200000000, -0.0014964500000000, -0.0006210800000000 ] - [ -0.0002040500000000, -0.0002588900000000, -0.0010732900000000 ] - [ -0.0008411300000000, -0.0001214400000000, -0.0001242100000000 ] - [ 0.0000033900000000, -0.0000822900000000, -0.0002871900000000 ] - [ 0.0002652400000000, -0.0008014500000000, -0.0001252000000000 ] - [ 0.0006665200000000, 0.0010941700000000, 0.0009264300000000 ] - [ 0.0003156000000000, -0.0000640500000000, 0.0004943400000000 ] - [ -0.0004600500000000, 0.0002345400000000, 0.0002276200000000 ] - [ 0.0006282000000000, -0.0000446500000000, 0.0002590700000000 ] - [ -0.0002307300000000, 0.0003996300000000, -0.0007035400000000 ] - [ 0.0030951700000000, -0.0001562600000000, -0.0000863300000000 ] - [ -0.0000948500000000, 0.0001309700000000, 0.0006326800000000 ] - [ 0.0004636600000000, 0.0002465800000000, 0.0002138400000000 ] - [ -0.0003931500000000, -0.0004658300000000, 0.0006191200000000 ] - [ -0.0000284000000000, 0.0000492000000000, 0.0006611900000000 ] - [ -0.0001001400000000, -0.0001302900000000, 0.0006309200000000 ] - [ 0.0002509100000000, -0.0004346000000000, 0.0002805300000000 ] - [ -0.0000643100000000, -0.0000978100000000, 0.0002937800000000 ] - [ 0.0017922500000000, -0.0031042700000000, -0.0328820600000000 ] - [ -0.0002126800000000, 0.0000267900000000, 0.0000349400000000 ] - [ 0.0000449500000000, -0.0000778500000000, 0.0004314500000000 ] - [ 0.0000053500000000, 0.0000173600000000, -0.0005129300000000 ] - [ 0.0000003500000000, 0.0000522300000000, 0.0004207900000000 ] - [ 0.0000831400000000, 0.0001975800000000, 0.0000349400000000 ] - [ -0.0003378100000000, 0.0000440500000000, 0.0002213400000000 ] - [ -0.0008070900000000, 0.0000504100000000, -0.0006998000000000 ] - [ 0.0001307500000000, 0.0003145700000000, 0.0002213400000000 ] - [ -0.0000454100000000, 0.0000258100000000, 0.0004207900000000 ] - [ 0.0003598900000000, 0.0007241700000000, -0.0006998000000000 ] - [ 0.0006487400000000, -0.0011236600000000, 0.0088363600000000 ] - [ 0.0003944500000000, -0.0006832000000000, -0.0007068200000000 ] - [ 0.0001168700000000, 0.0000067900000000, 0.0002937800000000 ] - [ -0.0000177100000000, 0.0000040500000000, -0.0005129300000000 ] - [ -0.0000763100000000, 0.0001321700000000, 0.0012376600000000 ]- atom: 174 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000136400000000, 0.0002615200000000, 0.0005359900000000 ] - [ -0.0000851600000000, 0.0001475100000000, 0.0005342900000000 ] - [ 0.0000197400000000, -0.0000341900000000, 0.0006524000000000 ] - [ 0.0000072100000000, -0.0001563800000000, 0.0004850600000000 ] - [ 0.0018293300000000, -0.0031684900000000, -0.0012552900000000 ] - [ -0.0013249400000000, -0.0028561800000000, -0.0056643200000000 ] - [ 0.0003343000000000, -0.0000653900000000, -0.0006763900000000 ] - [ -0.0001479900000000, -0.0002348000000000, -0.0007505100000000 ] - [ -0.0005088100000000, 0.0008812900000000, 0.0011319300000000 ] - [ -0.0002224900000000, 0.0002434500000000, -0.0006244800000000 ] - [ 0.0000359200000000, 0.0001822800000000, 0.0005109500000000 ] - [ -0.0000898300000000, -0.0001802400000000, -0.0005827900000000 ] - [ -0.0000557000000000, -0.0001417700000000, -0.0003574900000000 ] - [ -0.0004539200000000, -0.0008778000000000, 0.0012595800000000 ] - [ 0.0002010100000000, -0.0000123200000000, -0.0005827900000000 ] - [ -0.0001153300000000, -0.0001249000000000, 0.0005578200000000 ] - [ 0.0001658300000000, 0.0000374300000000, 0.0005578200000000 ] - [ 0.0001393100000000, 0.0000417700000000, 0.0005161800000000 ] - [ -0.0000691900000000, 0.0002074500000000, 0.0003243200000000 ] - [ 0.0006387000000000, 0.0006002300000000, -0.0001641000000000 ] - [ 0.0031359900000000, -0.0002806600000000, -0.0056643200000000 ] - [ -0.0002568700000000, 0.0000852100000000, 0.0007488700000000 ] - [ 0.0000649800000000, -0.0001568800000000, 0.0007191100000000 ] - [ 0.0000950900000000, 0.0000015500000000, 0.0004520700000000 ] - [ 0.0002183100000000, 0.0000281600000000, 0.0005711400000000 ] - [ 0.0007062700000000, -0.0005762400000000, -0.0001146000000000 ] - [ -0.0000042600000000, 0.0000073800000000, -0.0001736300000000 ] - [ -0.0000244000000000, 0.0000976100000000, 0.0004227300000000 ] - [ 0.0002352100000000, 0.0001337800000000, 0.0005337800000000 ] - [ 0.0000328500000000, 0.0000030400000000, 0.0003869000000000 ] - [ 0.0004907200000000, 0.0000956300000000, -0.0006447600000000 ] - [ 0.0002773400000000, 0.0000107700000000, -0.0007505100000000 ] - [ -0.0000723300000000, 0.0000699400000000, 0.0004227300000000 ] - [ 0.0009871600000000, -0.0000457900000000, 0.0012595800000000 ] - [ -0.0014179500000000, -0.0000300300000000, -0.0030922200000000 ] - [ -0.0001058300000000, -0.0000997600000000, 0.0005161800000000 ] - [ -0.0022502600000000, 0.0038975700000000, -0.0060016800000000 ] - [ 0.0000327900000000, 0.0002540500000000, -0.0005908600000000 ] - [ -0.0003281800000000, -0.0003771600000000, -0.0006447600000000 ] - [ -0.0000116900000000, -0.0000545600000000, 0.0001962400000000 ] - [ 0.0001459000000000, -0.0008997600000000, -0.0001146000000000 ] - [ 0.0001318200000000, -0.0000844300000000, 0.0004850600000000 ] - [ -0.0006669700000000, 0.0003514500000000, -0.0000294500000000 ] - [ -0.0000995900000000, 0.0003144000000000, -0.0006244800000000 ] - [ -0.0000265700000000, -0.0002511000000000, 0.0003351600000000 ] - [ 0.0001033700000000, -0.0001347100000000, 0.0007191100000000 ] - [ -0.0008391700000000, -0.0002530100000000, -0.0001641000000000 ] - [ 0.0000546400000000, 0.0002650600000000, 0.0007488700000000 ] - [ -0.0001450700000000, 0.0001636500000000, 0.0003243200000000 ] - [ 0.0000291200000000, 0.0007533400000000, -0.0000294500000000 ] - [ -0.0000190600000000, -0.0000269300000000, 0.0003869000000000 ] - [ -0.0002196600000000, 0.0001425700000000, 0.0005359900000000 ] - [ -0.0001758100000000, 0.0000600300000000, 0.0005109500000000 ] - [ -0.0002364100000000, 0.0000986300000000, -0.0005908600000000 ] - [ -0.0000488900000000, -0.0000815800000000, 0.0004520700000000 ] - [ 0.0002307400000000, -0.0001025400000000, 0.0003351600000000 ] - [ -0.0001105200000000, -0.0003222100000000, -0.0006763900000000 ] - [ -0.0002334600000000, -0.0001368100000000, 0.0005337800000000 ] - [ -0.0001335400000000, -0.0001749800000000, 0.0005711400000000 ] - [ 0.0001178800000000, -0.0002041800000000, 0.0010245000000000 ] - [ 0.0001506200000000, -0.0000226400000000, -0.0003574900000000 ] - [ 0.0007349900000000, 0.0012129700000000, -0.0030922200000000 ] - [ 0.0000531000000000, -0.0000171600000000, 0.0001962400000000 ] - [ -0.0001251000000000, 0.0002166800000000, 0.0013574500000000 ] - [ -0.0000311300000000, 0.0000539300000000, 0.0015175500000000 ] - [ 0.0019479600000000, 0.0001112100000000, -0.0039009700000000 ] - [ -0.0002023000000000, -0.0003182900000000, 0.0003863300000000 ] - [ 0.0002023000000000, 0.0002406200000000, 0.0001168900000000 ] - [ 0.0003767900000000, 0.0000160500000000, 0.0003863300000000 ] - [ 0.0005728500000000, -0.0009922000000000, 0.0006350100000000 ] - [ -0.0010547800000000, 0.0018269400000000, -0.0009487700000000 ] - [ 0.0030755400000000, 0.0002039300000000, -0.0003300500000000 ] - [ -0.0017143800000000, -0.0025615300000000, -0.0003300500000000 ] - [ -0.0003095300000000, -0.0000548800000000, 0.0001168900000000 ] - [ -0.0010702900000000, -0.0016313800000000, -0.0039009700000000 ] - [ -0.0018342000000000, 0.0031769300000000, -0.0004057700000000 ] - [ -0.0001839700000000, -0.0002482200000000, 0.0013280500000000 ] - [ 0.0003069500000000, 0.0000352100000000, 0.0013280500000000 ] - [ -0.0005658000000000, 0.0009800000000000, 0.0060141500000000 ] - [ 0.0000593100000000, -0.0000011500000000, 0.0010605100000000 ] - [ 0.0009017900000000, 0.0014409400000000, 0.0006218900000000 ] - [ -0.0016987900000000, -0.0000605100000000, 0.0006218900000000 ] - [ -0.0002255100000000, 0.0003905900000000, 0.0013945700000000 ] - [ -0.0000286600000000, -0.0000519400000000, 0.0010605100000000 ] - [ 0.0000006400000000, 0.0000015900000000, -0.0004376200000000 ] - [ -0.0000017000000000, 0.0000002400000000, -0.0004376200000000 ] - [ -0.0000064300000000, 0.0000111300000000, -0.0001481500000000 ] - [ 0.0000977700000000, -0.0001693500000000, -0.0000967300000000 ] - [ 0.0002708100000000, 0.0001999800000000, -0.0002188200000000 ] - [ 0.0002832900000000, 0.0000423800000000, -0.0001156400000000 ] - [ -0.0001812200000000, -0.0002937700000000, -0.0002219800000000 ] - [ -0.0014014900000000, -0.0002036500000000, 0.0008303600000000 ] - [ 0.0001316700000000, 0.0001727400000000, -0.0000165500000000 ] - [ -0.0002154300000000, -0.0000276600000000, -0.0000165500000000 ] - [ 0.0001543600000000, 0.0001931200000000, -0.0002473900000000 ] - [ 0.0000358100000000, -0.0000620300000000, -0.0011084700000000 ] - [ 0.0003670700000000, 0.0005659500000000, 0.0001668700000000 ] - [ -0.0002030000000000, 0.0001819800000000, -0.0001418200000000 ] - [ 0.0002059000000000, 0.0001360700000000, 0.0002258300000000 ] - [ -0.0011022100000000, -0.0000317200000000, -0.0008229700000000 ] - [ 0.0006550100000000, 0.0012417100000000, 0.0008150900000000 ] - [ -0.0000897600000000, -0.0000760900000000, -0.0008069500000000 ] - [ -0.0006628300000000, -0.0000128300000000, 0.0004190000000000 ] - [ 0.0005785800000000, 0.0009386800000000, -0.0008229700000000 ] - [ 0.0001456700000000, -0.0002167700000000, -0.0002704800000000 ] - [ 0.0017040400000000, 0.0032242300000000, -0.0001599300000000 ] - [ -0.0000298500000000, 0.0001334500000000, -0.0002808500000000 ] - [ 0.0012296700000000, -0.0021298600000000, 0.0010621700000000 ] - [ -0.0000775700000000, -0.0001112800000000, -0.0003552600000000 ] - [ -0.0001728100000000, -0.0005934100000000, -0.0024411400000000 ] - [ 0.0004336900000000, -0.0007511700000000, -0.0001964100000000 ] - [ 0.0001798500000000, -0.0003115100000000, -0.0006686500000000 ] - [ -0.0000180200000000, 0.0000312100000000, -0.0008234700000000 ] - [ -0.0001661000000000, -0.0002627200000000, 0.0023407600000000 ] - [ -0.0000561000000000, 0.0002667900000000, -0.0001418200000000 ] - [ -0.0002861700000000, -0.0000129200000000, 0.0002831100000000 ] - [ -0.0003401600000000, -0.0000018900000000, -0.0004901600000000 ] - [ 0.0001148900000000, -0.0002345400000000, -0.0002704800000000 ] - [ 0.0009585600000000, 0.0005047600000000, 0.0002619600000000 ] - [ -0.0014028600000000, 0.0000536000000000, 0.0008150900000000 ] - [ 0.0012015100000000, -0.0006974000000000, 0.0004928000000000 ] - [ 0.0000032100000000, -0.0013892300000000, 0.0004928000000000 ] - [ 0.0006003100000000, -0.0001470500000000, -0.0024411400000000 ] - [ -0.0001783500000000, -0.0002241500000000, -0.0001156400000000 ] - [ 0.0000650100000000, 0.0000009400000000, -0.0008934400000000 ] - [ 0.0000218100000000, -0.0000377700000000, -0.0034117800000000 ] - [ 0.0003659900000000, 0.0001341600000000, 0.0000851300000000 ] - [ 0.0008771100000000, 0.0011119000000000, 0.0008303600000000 ] - [ -0.0000006000000000, 0.0000010400000000, -0.0002669100000000 ] - [ -0.0002977300000000, 0.0001400900000000, -0.0000450200000000 ] - [ -0.0009205400000000, 0.0004775500000000, 0.0003857300000000 ] - [ 0.0001928500000000, -0.0001021100000000, -0.0002302200000000 ] - [ -0.0003085900000000, -0.0001345400000000, -0.0002188200000000 ] - [ -0.0007242200000000, 0.0012543900000000, 0.0001011000000000 ] - [ 0.0000322800000000, -0.0000559100000000, -0.0027525200000000 ] - [ 0.0003450200000000, 0.0000100600000000, -0.0002219800000000 ] - [ 0.0001351600000000, 0.0000115400000000, -0.0003552600000000 ] - [ -0.0001086100000000, -0.0003649600000000, 0.0000691300000000 ] - [ -0.0002444200000000, -0.0000371200000000, -0.0002473900000000 ] - [ 0.0027036500000000, -0.0046828500000000, -0.0007977000000000 ] - [ 0.0014468600000000, 0.0000341500000000, -0.0006281400000000 ] - [ 0.0003105700000000, 0.0000124900000000, 0.0023407600000000 ] - [ -0.0002456800000000, 0.0004255200000000, -0.0004595800000000 ] - [ -0.0002207900000000, -0.0001102800000000, 0.0002258300000000 ] - [ 0.0010784300000000, -0.0003735500000000, 0.0005726200000000 ] - [ 0.0002599400000000, -0.0001884600000000, -0.0000439000000000 ] - [ 0.0000193800000000, -0.0003175300000000, -0.0001571000000000 ] - [ -0.0002157100000000, -0.0011207200000000, 0.0005726200000000 ] - [ -0.0009164100000000, -0.0005777600000000, 0.0002619600000000 ] - [ -0.0000333200000000, -0.0000558300000000, -0.0008934400000000 ] - [ 0.0001107800000000, 0.0000396900000000, -0.0008069500000000 ] - [ 0.0001717200000000, 0.0002936400000000, -0.0004901600000000 ] - [ 0.0001542700000000, 0.0002413800000000, 0.0002831100000000 ] - [ 0.0003103800000000, -0.0007839900000000, -0.0008064200000000 ] - [ 0.0002604500000000, 0.0007901800000000, -0.0008073100000000 ] - [ 0.0000467000000000, 0.0010359900000000, 0.0003857300000000 ] - [ 0.0003425300000000, 0.0005676100000000, 0.0004190000000000 ] - [ -0.0008145400000000, 0.0001695400000000, -0.0008073100000000 ] - [ -0.0000079900000000, -0.0002180600000000, -0.0002302200000000 ] - [ 0.0005237700000000, -0.0006608000000000, -0.0008064200000000 ] - [ -0.0007530000000000, -0.0012359400000000, -0.0006281400000000 ] - [ 0.0002653000000000, -0.0001755400000000, -0.0001571000000000 ] - [ 0.0003703700000000, -0.0000884200000000, 0.0000691300000000 ] - [ -0.0006736700000000, -0.0000349200000000, 0.0001668700000000 ] - [ 0.0002306700000000, -0.0003995200000000, 0.0006214500000000 ] - [ -0.0036442800000000, 0.0001363800000000, -0.0001599300000000 ] - [ 0.0000275400000000, 0.0003278800000000, -0.0000450200000000 ] - [ -0.0002991800000000, -0.0002498700000000, 0.0000851300000000 ] - [ -0.0001006500000000, 0.0000925800000000, -0.0002808500000000 ] - [ -0.0000354100000000, 0.0000613300000000, -0.0011796700000000 ] - [ 0.0000332400000000, -0.0003193400000000, -0.0000439000000000 ] - [ -0.0002070200000000, 0.0003585600000000, -0.0003173600000000 ] - [ -0.0000516300000000, -0.0000999200000000, -0.0001524800000000 ] - [ -0.0017038600000000, 0.0029511700000000, 0.0326475100000000 ] - [ -0.0002609200000000, -0.0000235900000000, 0.0002900000000000 ] - [ -0.0000218800000000, 0.0000378900000000, -0.0003371100000000 ] - [ 0.0000047300000000, -0.0000108100000000, 0.0006790400000000 ] - [ -0.0000464000000000, -0.0000525800000000, -0.0003275100000000 ] - [ 0.0001508900000000, 0.0002141700000000, 0.0002900000000000 ] - [ 0.0003857600000000, 0.0000293600000000, -0.0002607100000000 ] - [ 0.0008119900000000, -0.0000344500000000, -0.0000202100000000 ] - [ -0.0002183100000000, -0.0003194000000000, -0.0002607100000000 ] - [ 0.0000687300000000, 0.0000139000000000, -0.0003275100000000 ] - [ -0.0003761600000000, -0.0007204300000000, -0.0000202100000000 ] - [ -0.0004053900000000, 0.0007021500000000, -0.0083658300000000 ] - [ -0.0003920200000000, 0.0006789900000000, -0.0000159100000000 ] - [ 0.0001123500000000, -0.0000052400000000, -0.0001524800000000 ] - [ 0.0000070000000000, -0.0000095000000000, 0.0006790400000000 ] - [ -0.0000403300000000, 0.0000698500000000, -0.0010907100000000 ]- atom: 175 displacement: [ -0.0049999999950204, 0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000142600000000, -0.0000140500000000, 0.0000644500000000 ] - [ -0.0000975800000000, 0.0001675100000000, 0.0001705200000000 ] - [ 0.0001701000000000, -0.0000314700000000, -0.0000405700000000 ] - [ 0.0000381300000000, -0.0000978200000000, 0.0001864900000000 ] - [ 0.0006946100000000, 0.0002739200000000, -0.0000636300000000 ] - [ -0.0000054900000000, -0.0000931200000000, -0.0001346900000000 ] - [ 0.0000592800000000, -0.0000366500000000, -0.0001606000000000 ] - [ 0.0000269600000000, 0.0000461500000000, -0.0000904300000000 ] - [ -0.0004862100000000, -0.0005480000000000, 0.0002201100000000 ] - [ -0.0003492200000000, 0.0005203200000000, 0.0009486200000000 ] - [ -0.0000143100000000, 0.0001994200000000, 0.0001325600000000 ] - [ -0.0005247600000000, 0.0056701400000000, -0.0021215600000000 ] - [ -0.0000642300000000, -0.0001670100000000, -0.0004079300000000 ] - [ 0.0001861400000000, 0.0001171700000000, 0.0003347600000000 ] - [ 0.0007717800000000, -0.0008076200000000, -0.0004216400000000 ] - [ -0.0000430500000000, -0.0000873400000000, 0.0000918100000000 ] - [ 0.0001914100000000, 0.0000151700000000, 0.0001667400000000 ] - [ 0.0000747300000000, 0.0000754000000000, 0.0001859300000000 ] - [ -0.0000264000000000, 0.0001654500000000, 0.0000651000000000 ] - [ -0.0001196400000000, 0.0002752300000000, -0.0002883500000000 ] - [ 0.0005415600000000, -0.0002272300000000, 0.0003611400000000 ] - [ 0.0001536300000000, 0.0000371500000000, 0.0000651600000000 ] - [ -0.0000396200000000, -0.0006304700000000, 0.0004782900000000 ] - [ -0.0001825300000000, 0.0003846700000000, -0.0002719400000000 ] - [ 0.0001335500000000, 0.0000282600000000, 0.0002939000000000 ] - [ -0.0001726400000000, -0.0002405600000000, -0.0002860700000000 ] - [ -0.0001032400000000, 0.0001740100000000, -0.0001697900000000 ] - [ -0.0015379900000000, 0.0045050100000000, -0.0008309400000000 ] - [ 0.0005595300000000, -0.0000234700000000, 0.0004775500000000 ] - [ 0.0007770400000000, 0.0001614900000000, 0.0004073800000000 ] - [ 0.0003261800000000, 0.0003198500000000, -0.0004445400000000 ] - [ -0.0052956200000000, 0.0033828600000000, -0.0029626200000000 ] - [ -0.0002276700000000, 0.0000262700000000, 0.0003683700000000 ] - [ 0.0007043300000000, -0.0008180400000000, -0.0000212100000000 ] - [ -0.0000082600000000, -0.0000215000000000, 0.0000087900000000 ] - [ -0.0001605300000000, -0.0001095600000000, 0.0001356700000000 ] - [ -0.0002770300000000, 0.0000727100000000, -0.0002031200000000 ] - [ -0.0051656900000000, 0.0085122700000000, 0.0038446400000000 ] - [ -0.0001575000000000, -0.0007307500000000, 0.0004367200000000 ] - [ 0.0002370400000000, -0.0010441000000000, -0.0002235300000000 ] - [ 0.0001899500000000, 0.0000095500000000, -0.0004145900000000 ] - [ 0.0000952600000000, -0.0000974400000000, 0.0000513300000000 ] - [ -0.0000347600000000, -0.0000826400000000, -0.0000564300000000 ] - [ 0.0001203900000000, 0.0001329900000000, -0.0001674500000000 ] - [ -0.0000349900000000, -0.0001340700000000, 0.0000523400000000 ] - [ -0.0000120900000000, -0.0001595700000000, 0.0001079200000000 ] - [ -0.0000723200000000, 0.0000545000000000, -0.0002977800000000 ] - [ -0.0001169200000000, -0.0000827900000000, 0.0000539900000000 ] - [ -0.0000933200000000, 0.0000920100000000, 0.0000577900000000 ] - [ 0.0001944400000000, 0.0000187300000000, -0.0001661800000000 ] - [ -0.0032023400000000, 0.0055494400000000, 0.0022829500000000 ] - [ -0.0003447300000000, 0.0003768400000000, 0.0008983900000000 ] - [ -0.0000738900000000, -0.0000564100000000, 0.0001059500000000 ] - [ -0.0006487300000000, -0.0004648700000000, 0.0000113500000000 ] - [ 0.0000787300000000, 0.0000576800000000, 0.0000038200000000 ] - [ 0.0001243400000000, -0.0000582000000000, 0.0000575300000000 ] - [ -0.0003834100000000, 0.0001281700000000, -0.0004990000000000 ] - [ -0.0003856900000000, 0.0002574400000000, -0.0000884200000000 ] - [ -0.0000586200000000, -0.0001471000000000, 0.0003009900000000 ] - [ -0.0000806300000000, 0.0001025200000000, 0.0002950000000000 ] - [ 0.0001959300000000, -0.0000456800000000, -0.0001687500000000 ] - [ 0.0002488800000000, -0.0010606600000000, -0.0004191000000000 ] - [ -0.0007308700000000, 0.0033521400000000, 0.0008348200000000 ] - [ -0.0007365400000000, -0.0004365100000000, 0.0006279100000000 ] - [ 0.0000169100000000, -0.0000141700000000, 0.0001198300000000 ] - [ -0.0008971000000000, -0.0000084000000000, 0.0009688600000000 ] - [ 0.0000239300000000, -0.0000397300000000, -0.0005641200000000 ] - [ 0.0001622300000000, 0.0000931800000000, -0.0000338600000000 ] - [ -0.0000419900000000, 0.0000009100000000, -0.0004542500000000 ] - [ 0.0040658600000000, 0.0005822100000000, 0.0006724200000000 ] - [ 0.0007680800000000, 0.0004924800000000, 0.0000595100000000 ] - [ 0.0043383900000000, -0.0070801300000000, -0.0013187000000000 ] - [ 0.0036185700000000, 0.0005168200000000, 0.0003143600000000 ] - [ -0.0004736700000000, 0.0003018200000000, -0.0000769300000000 ] - [ 0.0004756500000000, -0.0007646900000000, -0.0017700000000000 ] - [ -0.0025194100000000, -0.0035606300000000, 0.0003690500000000 ] - [ 0.0006303900000000, 0.0004551000000000, 0.0005994700000000 ] - [ 0.0007157900000000, -0.0011486100000000, -0.0003795100000000 ] - [ 0.0002688600000000, -0.0003609300000000, -0.0000457100000000 ] - [ -0.0000201200000000, 0.0001525900000000, 0.0001460700000000 ] - [ 0.0037635900000000, -0.0067832300000000, 0.0019701900000000 ] - [ -0.0020020400000000, -0.0030752200000000, -0.0014017200000000 ] - [ 0.0000202200000000, 0.0000457100000000, 0.0003362800000000 ] - [ -0.0000024200000000, -0.0001351100000000, 0.0001175200000000 ] - [ -0.0000276400000000, 0.0000417200000000, -0.0003298900000000 ] - [ 0.0000493000000000, -0.0000045900000000, -0.0000200500000000 ] - [ -0.0000478200000000, -0.0000602700000000, 0.0002922900000000 ] - [ 0.0000685300000000, -0.0001248000000000, 0.0001299500000000 ] - [ 0.0002070200000000, 0.0000988500000000, 0.0002674500000000 ] - [ -0.0000525900000000, -0.0003151600000000, -0.0001799600000000 ] - [ -0.0008280200000000, 0.0014920400000000, -0.0017605600000000 ] - [ 0.0004063900000000, 0.0004518000000000, -0.0005379500000000 ] - [ 0.0000758300000000, 0.0002402900000000, -0.0000905900000000 ] - [ -0.0000517300000000, -0.0000857300000000, 0.0000224300000000 ] - [ 0.0001684100000000, -0.0000550500000000, -0.0001917700000000 ] - [ -0.0000069100000000, -0.0000151800000000, -0.0003758200000000 ] - [ -0.0009346300000000, -0.0003594400000000, 0.0000281000000000 ] - [ -0.0004848800000000, 0.0000191900000000, 0.0000460900000000 ] - [ -0.0030774300000000, -0.0012782700000000, 0.0018077600000000 ] - [ -0.0008124100000000, -0.0000258100000000, -0.0004846300000000 ] - [ -0.0003159100000000, 0.0006211800000000, 0.0001226800000000 ] - [ -0.0001751300000000, 0.0001405600000000, 0.0003305500000000 ] - [ 0.0002794700000000, 0.0000789800000000, -0.0005984900000000 ] - [ 0.0004236400000000, 0.0006999000000000, -0.0004784600000000 ] - [ -0.0001373300000000, -0.0000081200000000, 0.0001275100000000 ] - [ -0.0011043700000000, -0.0007881800000000, 0.0000543000000000 ] - [ -0.0000437700000000, 0.0004770000000000, 0.0003105400000000 ] - [ -0.0002955400000000, -0.0000821900000000, -0.0001833900000000 ] - [ -0.0000688100000000, -0.0000838200000000, -0.0001893900000000 ] - [ -0.0000253300000000, 0.0001794500000000, -0.0002616100000000 ] - [ 0.0009155600000000, 0.0007898400000000, 0.0000900800000000 ] - [ 0.0001065700000000, -0.0001344100000000, -0.0001656100000000 ] - [ 0.0000881600000000, 0.0001525800000000, -0.0003100700000000 ] - [ -0.0004799700000000, 0.0008038100000000, 0.0012555900000000 ] - [ -0.0003935500000000, 0.0009364500000000, 0.0010476000000000 ] - [ 0.0000191200000000, -0.0000029500000000, 0.0007691700000000 ] - [ -0.0001767000000000, -0.0000427100000000, -0.0001724600000000 ] - [ 0.0000456500000000, 0.0000789100000000, 0.0001141100000000 ] - [ -0.0036331500000000, -0.0010883700000000, 0.0007725200000000 ] - [ 0.0003604900000000, -0.0004744100000000, -0.0004902600000000 ] - [ 0.0013913000000000, 0.0005953700000000, 0.0000634500000000 ] - [ 0.0032299100000000, 0.0031216400000000, 0.0011515000000000 ] - [ -0.0002192300000000, 0.0001401600000000, -0.0002891500000000 ] - [ -0.0002958800000000, 0.0001919900000000, 0.0003252200000000 ] - [ 0.0001301700000000, -0.0001073400000000, -0.0002872900000000 ] - [ 0.0000561000000000, -0.0000344800000000, -0.0000037500000000 ] - [ 0.0034580400000000, 0.0030281800000000, 0.0020674200000000 ] - [ -0.0001991400000000, 0.0001486800000000, 0.0001188100000000 ] - [ 0.0001137200000000, 0.0003888400000000, 0.0000545200000000 ] - [ -0.0001888900000000, 0.0001494200000000, 0.0002686200000000 ] - [ -0.0036919800000000, 0.0067372900000000, -0.0027070100000000 ] - [ 0.0002495500000000, -0.0002519900000000, -0.0003448900000000 ] - [ -0.0002194900000000, -0.0001021700000000, 0.0002802800000000 ] - [ -0.0012366300000000, 0.0009008100000000, 0.0005690200000000 ] - [ -0.0000919500000000, 0.0001415300000000, -0.0001872800000000 ] - [ 0.0004465800000000, 0.0006560000000000, 0.0016251300000000 ] - [ 0.0001725500000000, -0.0000566800000000, -0.0001762500000000 ] - [ -0.0048989400000000, 0.0081841000000000, -0.0038480900000000 ] - [ -0.0001307400000000, -0.0000520500000000, -0.0002587400000000 ] - [ 0.0001640700000000, 0.0010247400000000, -0.0000811000000000 ] - [ 0.0016926700000000, 0.0007699100000000, -0.0000166400000000 ] - [ 0.0005306500000000, 0.0002118800000000, -0.0006267100000000 ] - [ -0.0011909300000000, -0.0004563500000000, -0.0003929200000000 ] - [ -0.0015408700000000, -0.0015780800000000, 0.0005993700000000 ] - [ -0.0002934100000000, -0.0003854700000000, -0.0005073100000000 ] - [ 0.0001679400000000, -0.0000577800000000, 0.0002775400000000 ] - [ 0.0004586200000000, -0.0001386100000000, -0.0002474900000000 ] - [ -0.0003125000000000, -0.0004292200000000, 0.0000550100000000 ] - [ 0.0002643700000000, 0.0029161900000000, -0.0003663800000000 ] - [ -0.0000608400000000, -0.0000097400000000, -0.0002562400000000 ] - [ -0.0000425500000000, -0.0000787900000000, -0.0002884400000000 ] - [ 0.0001055100000000, 0.0002486200000000, -0.0001616800000000 ] - [ -0.0000127700000000, 0.0000168000000000, 0.0008849000000000 ] - [ 0.0004486200000000, -0.0007288100000000, -0.0004914700000000 ] - [ 0.0004110100000000, 0.0007468600000000, -0.0004913700000000 ] - [ -0.0008250700000000, 0.0001674400000000, -0.0000106800000000 ] - [ -0.0000888300000000, 0.0002192600000000, 0.0001076400000000 ] - [ -0.0008220000000000, 0.0000275000000000, -0.0004785100000000 ] - [ -0.0000676900000000, -0.0000918100000000, -0.0002153400000000 ] - [ 0.0003652800000000, -0.0006846400000000, -0.0004706900000000 ] - [ -0.0001469100000000, 0.0028374800000000, 0.0002401900000000 ] - [ 0.0006767500000000, -0.0000574400000000, 0.0002391700000000 ] - [ 0.0002682300000000, 0.0010686400000000, 0.0002627500000000 ] - [ -0.0011493400000000, 0.0019455900000000, 0.0004252600000000 ] - [ -0.0001452700000000, -0.0000783300000000, -0.0002912200000000 ] - [ -0.0027849900000000, 0.0012394600000000, -0.0004578800000000 ] - [ -0.0000171900000000, 0.0001634700000000, 0.0002683900000000 ] - [ -0.0024689300000000, 0.0016351300000000, 0.0002765000000000 ] - [ -0.0004851000000000, -0.0004782700000000, 0.0002488400000000 ] - [ -0.0000513200000000, 0.0001078500000000, -0.0002583700000000 ] - [ 0.0000262000000000, -0.0003167600000000, 0.0002637500000000 ] - [ 0.0000464900000000, -0.0000390200000000, 0.0000025600000000 ] - [ -0.0003167200000000, 0.0000284200000000, 0.0000976200000000 ] - [ -0.0002502100000000, 0.0001567000000000, 0.0000873700000000 ] - [ 0.0191984600000000, -0.0391916900000000, -0.0003688500000000 ] - [ 0.0000340000000000, -0.0000246400000000, -0.0000003000000000 ] - [ 0.0000440400000000, 0.0003206700000000, 0.0000427700000000 ] - [ -0.0000398700000000, -0.0000168200000000, 0.0000010600000000 ] - [ -0.0000806100000000, 0.0005032700000000, 0.0001584300000000 ] - [ 0.0000110400000000, 0.0000609300000000, -0.0000836900000000 ] - [ -0.0000717000000000, 0.0001536100000000, -0.0007472800000000 ] - [ -0.0000619000000000, -0.0000245000000000, -0.0000017000000000 ] - [ 0.0000039600000000, 0.0000365700000000, 0.0000469200000000 ] - [ -0.0000980200000000, -0.0000839200000000, -0.0002033700000000 ] - [ -0.0001207000000000, 0.0001680700000000, 0.0001795800000000 ] - [ 0.0001323300000000, 0.0000121400000000, -0.0001625000000000 ] - [ 0.0015191600000000, -0.0024956800000000, -0.0004007800000000 ] - [ 0.0011481600000000, -0.0021758500000000, 0.0006269600000000 ] - [ -0.0000378000000000, 0.0004049000000000, 0.0001023800000000 ]- atom: 175 displacement: [ 0.0049999999950204, -0.0086602540407194, 0.0000000000000000 ] forces: - [ 0.0000361000000000, 0.0004334600000000, 0.0003681400000000 ] - [ -0.0000147800000000, 0.0000576900000000, 0.0001622300000000 ] - [ -0.0002218200000000, 0.0001374400000000, 0.0003193500000000 ] - [ -0.0000198500000000, -0.0001762100000000, 0.0000613000000000 ] - [ -0.0009409600000000, 0.0001758200000000, -0.0003813500000000 ] - [ -0.0002146000000000, -0.0002910400000000, 0.0001269400000000 ] - [ 0.0003925600000000, 0.0000412400000000, 0.0001488200000000 ] - [ -0.0002890800000000, -0.0004983200000000, -0.0003515400000000 ] - [ 0.0003651000000000, 0.0007893800000000, -0.0001025600000000 ] - [ 0.0001095200000000, -0.0001232500000000, -0.0009588600000000 ] - [ 0.0000300700000000, 0.0000886600000000, 0.0001094900000000 ] - [ 0.0004592400000000, -0.0060439500000000, 0.0017993600000000 ] - [ -0.0001322000000000, -0.0002359400000000, -0.0001761900000000 ] - [ -0.0001543400000000, -0.0002732800000000, 0.0001619700000000 ] - [ -0.0003409000000000, 0.0006971800000000, 0.0001656900000000 ] - [ -0.0000752000000000, -0.0001164900000000, 0.0002456600000000 ] - [ 0.0000600900000000, 0.0000002000000000, 0.0001672200000000 ] - [ 0.0001675500000000, 0.0000817700000000, 0.0000557200000000 ] - [ -0.0000047100000000, 0.0001328600000000, 0.0000481700000000 ] - [ -0.0000723300000000, 0.0001502800000000, -0.0002969400000000 ] - [ -0.0000848900000000, 0.0002193800000000, -0.0003699600000000 ] - [ 0.0001195400000000, 0.0000853800000000, 0.0000482500000000 ] - [ 0.0000951800000000, 0.0001994800000000, -0.0000509900000000 ] - [ 0.0002941700000000, -0.0003758100000000, 0.0005542300000000 ] - [ 0.0001453300000000, -0.0000206700000000, 0.0002959600000000 ] - [ -0.0000775700000000, -0.0001308700000000, -0.0002983800000000 ] - [ -0.0000053900000000, 0.0000297800000000, -0.0001642500000000 ] - [ 0.0013299300000000, -0.0046308600000000, 0.0014136800000000 ] - [ -0.0002251800000000, 0.0002768800000000, -0.0000475200000000 ] - [ -0.0007635200000000, -0.0000061100000000, 0.0000853000000000 ] - [ 0.0004284400000000, -0.0003333600000000, 0.0004817600000000 ] - [ 0.0056984100000000, -0.0034105700000000, 0.0024190000000000 ] - [ 0.0003547700000000, 0.0000668300000000, 0.0001246200000000 ] - [ -0.0005696700000000, 0.0007132500000000, 0.0005103600000000 ] - [ 0.0004488000000000, 0.0001258900000000, -0.0002677300000000 ] - [ -0.0000860900000000, -0.0000111700000000, 0.0001116700000000 ] - [ -0.0001069300000000, 0.0005698600000000, 0.0002434200000000 ] - [ 0.0053553600000000, -0.0085749300000000, -0.0045452700000000 ] - [ -0.0002222300000000, 0.0000749800000000, -0.0003967500000000 ] - [ -0.0003711600000000, 0.0008193600000000, 0.0003444400000000 ] - [ 0.0002751100000000, 0.0000358400000000, -0.0001702800000000 ] - [ 0.0001343900000000, -0.0000848000000000, 0.0001919400000000 ] - [ -0.0000753600000000, -0.0001065200000000, -0.0002850000000000 ] - [ -0.0003430200000000, 0.0002606900000000, 0.0001560600000000 ] - [ 0.0000021600000000, -0.0001722800000000, 0.0000511800000000 ] - [ 0.0003524300000000, -0.0000896700000000, 0.0003218100000000 ] - [ -0.0002128500000000, 0.0003065900000000, -0.0002847400000000 ] - [ -0.0001317500000000, -0.0000983900000000, 0.0000495000000000 ] - [ -0.0001433600000000, 0.0000853000000000, 0.0000535500000000 ] - [ 0.0000363600000000, -0.0000101600000000, -0.0001680000000000 ] - [ 0.0028837900000000, -0.0051750600000000, -0.0014679800000000 ] - [ -0.0000378600000000, -0.0002140800000000, -0.0004667100000000 ] - [ -0.0001993300000000, 0.0001642800000000, 0.0001371300000000 ] - [ 0.0003346000000000, 0.0007851800000000, -0.0002696200000000 ] - [ -0.0001444600000000, -0.0001708000000000, 0.0002681700000000 ] - [ 0.0001473400000000, -0.0000580000000000, 0.0000537700000000 ] - [ 0.0001589700000000, -0.0005168900000000, 0.0004876000000000 ] - [ -0.0000151200000000, -0.0004228900000000, 0.0005228300000000 ] - [ -0.0000809500000000, -0.0000943700000000, 0.0002879800000000 ] - [ -0.0000521700000000, 0.0001426200000000, 0.0002945900000000 ] - [ 0.0002585000000000, -0.0000200700000000, -0.0004146800000000 ] - [ -0.0005547600000000, 0.0007205000000000, 0.0001712800000000 ] - [ 0.0010739100000000, -0.0033444600000000, -0.0006659500000000 ] - [ 0.0007872700000000, 0.0003400500000000, -0.0000373700000000 ] - [ -0.0000853200000000, 0.0001275200000000, 0.0001156400000000 ] - [ 0.0009006700000000, 0.0000067100000000, -0.0008073100000000 ] - [ -0.0000229400000000, 0.0000384800000000, -0.0004276600000000 ] - [ 0.0001175500000000, 0.0003935800000000, -0.0000655600000000 ] - [ 0.0000411500000000, -0.0000001200000000, -0.0005378800000000 ] - [ -0.0040771100000000, -0.0005768700000000, 0.0002250200000000 ] - [ -0.0007744700000000, -0.0004897200000000, -0.0007349700000000 ] - [ -0.0040786900000000, 0.0074509300000000, 0.0008427000000000 ] - [ -0.0040713500000000, -0.0005199300000000, -0.0007850100000000 ] - [ -0.0000941400000000, -0.0003010800000000, -0.0000257600000000 ] - [ -0.0004806500000000, 0.0007628800000000, 0.0019468000000000 ] - [ 0.0027457300000000, 0.0031424200000000, -0.0008399300000000 ] - [ -0.0007295000000000, -0.0004584500000000, -0.0000097500000000 ] - [ -0.0006613800000000, 0.0012486400000000, 0.0009700800000000 ] - [ 0.0000155100000000, -0.0001291000000000, -0.0000540000000000 ] - [ 0.0001516300000000, -0.0001546000000000, 0.0000937400000000 ] - [ -0.0037577100000000, 0.0067951600000000, -0.0025705000000000 ] - [ 0.0019948800000000, 0.0030948000000000, 0.0008128400000000 ] - [ -0.0000198100000000, -0.0000440400000000, 0.0003639700000000 ] - [ -0.0000661500000000, 0.0000175800000000, 0.0001195500000000 ] - [ 0.0000255000000000, -0.0000448400000000, 0.0000925400000000 ] - [ -0.0000517700000000, 0.0000011100000000, -0.0002193900000000 ] - [ 0.0000503400000000, 0.0000638700000000, 0.0000350900000000 ] - [ 0.0000466600000000, -0.0000711000000000, 0.0001234800000000 ] - [ 0.0002171000000000, 0.0000758200000000, 0.0002827000000000 ] - [ 0.0006721400000000, 0.0003122400000000, 0.0006021700000000 ] - [ 0.0008322900000000, -0.0015033400000000, 0.0028474900000000 ] - [ -0.0002087800000000, -0.0001768800000000, -0.0001113700000000 ] - [ 0.0000825600000000, 0.0000337900000000, -0.0000056900000000 ] - [ -0.0002551300000000, 0.0000934800000000, -0.0001150800000000 ] - [ 0.0001005500000000, 0.0002083100000000, -0.0003067800000000 ] - [ 0.0000052700000000, 0.0000123000000000, -0.0004352500000000 ] - [ 0.0010148000000000, 0.0003572500000000, 0.0004168900000000 ] - [ -0.0000170700000000, 0.0003718100000000, 0.0003288900000000 ] - [ 0.0041919000000000, 0.0012696000000000, -0.0010014900000000 ] - [ -0.0008483400000000, -0.0000270300000000, -0.0004817400000000 ] - [ 0.0005173800000000, -0.0008975900000000, -0.0007770900000000 ] - [ 0.0000828400000000, -0.0003010800000000, -0.0005213600000000 ] - [ -0.0006179300000000, -0.0000439400000000, -0.0000523200000000 ] - [ 0.0004449600000000, 0.0007081700000000, -0.0004888000000000 ] - [ -0.0000897400000000, 0.0000097800000000, 0.0001257500000000 ] - [ 0.0013723300000000, 0.0012317300000000, -0.0003005600000000 ] - [ 0.0006067600000000, -0.0002378500000000, 0.0000660900000000 ] - [ 0.0001738900000000, 0.0002915600000000, 0.0001870400000000 ] - [ -0.0000639500000000, -0.0001461300000000, -0.0001802200000000 ] - [ 0.0000229900000000, 0.0001296800000000, -0.0002382100000000 ] - [ -0.0009616200000000, -0.0007150900000000, 0.0003550900000000 ] - [ 0.0001199600000000, -0.0002506600000000, -0.0001686500000000 ] - [ -0.0001819900000000, -0.0000035400000000, 0.0001165900000000 ] - [ 0.0004823900000000, -0.0008019500000000, -0.0012970300000000 ] - [ 0.0003228900000000, -0.0003328900000000, -0.0006703300000000 ] - [ -0.0000221300000000, -0.0000011800000000, 0.0008555400000000 ] - [ -0.0002710300000000, 0.0000467000000000, -0.0001627800000000 ] - [ 0.0000674600000000, 0.0001169000000000, 0.0001382000000000 ] - [ 0.0034122700000000, 0.0010896900000000, -0.0011121900000000 ] - [ -0.0002250500000000, 0.0001682900000000, -0.0001568000000000 ] - [ -0.0019102300000000, -0.0005863900000000, -0.0003087900000000 ] - [ -0.0029871900000000, -0.0026507600000000, -0.0014047300000000 ] - [ -0.0000433900000000, 0.0000240700000000, -0.0002136100000000 ] - [ -0.0000172100000000, -0.0007374600000000, 0.0001026000000000 ] - [ 0.0000001900000000, 0.0001132900000000, -0.0002319900000000 ] - [ 0.0001036800000000, -0.0002277500000000, -0.0000911500000000 ] - [ -0.0035230800000000, -0.0031851200000000, -0.0017473000000000 ] - [ -0.0001356800000000, -0.0001814800000000, -0.0007689300000000 ] - [ -0.0004317300000000, 0.0001518700000000, 0.0003702900000000 ] - [ -0.0001793700000000, 0.0001276300000000, 0.0002826600000000 ] - [ 0.0039119600000000, -0.0071456900000000, 0.0024045400000000 ] - [ 0.0000240800000000, 0.0001068000000000, -0.0001563500000000 ] - [ -0.0001312200000000, -0.0001694000000000, 0.0002680600000000 ] - [ 0.0006927200000000, 0.0000531100000000, 0.0002319400000000 ] - [ -0.0000386200000000, 0.0000982400000000, -0.0001783100000000 ] - [ -0.0004487400000000, -0.0006592300000000, -0.0005621800000000 ] - [ 0.0001003200000000, 0.0000636100000000, -0.0001886900000000 ] - [ 0.0048764200000000, -0.0081325500000000, 0.0042193500000000 ] - [ -0.0001319000000000, -0.0001040800000000, -0.0002405900000000 ] - [ -0.0000679100000000, -0.0012048300000000, -0.0002538900000000 ] - [ -0.0015165800000000, -0.0007678100000000, 0.0003297700000000 ] - [ -0.0005284900000000, -0.0002110400000000, 0.0005954200000000 ] - [ 0.0011954200000000, 0.0004559600000000, -0.0004771800000000 ] - [ 0.0009921300000000, 0.0006251000000000, 0.0002015200000000 ] - [ 0.0005435500000000, 0.0003831400000000, 0.0005138700000000 ] - [ 0.0002561800000000, -0.0001227400000000, 0.0002737600000000 ] - [ -0.0005309700000000, -0.0004755000000000, 0.0006198600000000 ] - [ 0.0001927100000000, 0.0002192200000000, -0.0000502600000000 ] - [ -0.0001589600000000, -0.0027245700000000, 0.0000316700000000 ] - [ 0.0000012700000000, -0.0000937700000000, -0.0002579500000000 ] - [ 0.0002162400000000, 0.0000718200000000, 0.0000946000000000 ] - [ 0.0001188800000000, 0.0001401300000000, -0.0001739300000000 ] - [ 0.0000105500000000, -0.0000210700000000, 0.0007393100000000 ] - [ 0.0004164900000000, -0.0006865900000000, -0.0004754700000000 ] - [ 0.0003738100000000, 0.0007091800000000, -0.0004758000000000 ] - [ 0.0010875100000000, -0.0006108300000000, -0.0002350600000000 ] - [ 0.0002291300000000, 0.0000937400000000, -0.0007605300000000 ] - [ -0.0008364100000000, 0.0000144900000000, -0.0004884000000000 ] - [ 0.0000643500000000, -0.0002144000000000, -0.0002844200000000 ] - [ 0.0004192900000000, -0.0007799300000000, -0.0004955400000000 ] - [ 0.0000577200000000, -0.0029946200000000, 0.0000776600000000 ] - [ -0.0000898000000000, -0.0001809100000000, 0.0001346800000000 ] - [ -0.0003479800000000, -0.0009427300000000, 0.0000582200000000 ] - [ 0.0010993300000000, -0.0020133200000000, 0.0000221200000000 ] - [ 0.0001434900000000, 0.0000727000000000, 0.0002137600000000 ] - [ 0.0022273000000000, -0.0012513000000000, 0.0002085400000000 ] - [ -0.0000434400000000, 0.0002921800000000, 0.0002807400000000 ] - [ 0.0026428000000000, -0.0016481100000000, 0.0000428700000000 ] - [ -0.0000156300000000, 0.0001051700000000, 0.0001252100000000 ] - [ -0.0000090600000000, 0.0000078900000000, -0.0002555400000000 ] - [ -0.0000859800000000, -0.0001227500000000, 0.0002832600000000 ] - [ -0.0000041100000000, -0.0000466600000000, -0.0000501400000000 ] - [ 0.0002036400000000, -0.0002276100000000, 0.0000990900000000 ] - [ 0.0002444300000000, -0.0001744900000000, 0.0000687200000000 ] - [ -0.0198198600000000, 0.0394872800000000, 0.0008592500000000 ] - [ -0.0000074800000000, -0.0000226400000000, 0.0000369300000000 ] - [ -0.0000451100000000, -0.0003239700000000, 0.0001116900000000 ] - [ -0.0000147300000000, 0.0000161900000000, 0.0000360500000000 ] - [ 0.0003173400000000, -0.0000973100000000, 0.0001764900000000 ] - [ 0.0000314100000000, 0.0000122300000000, 0.0000299000000000 ] - [ 0.0000891400000000, -0.0001248400000000, 0.0000408500000000 ] - [ -0.0000340200000000, 0.0000183900000000, -0.0000459900000000 ] - [ 0.0000218900000000, 0.0000079800000000, -0.0000122500000000 ] - [ 0.0000827600000000, 0.0000917000000000, -0.0005043400000000 ] - [ 0.0003509100000000, -0.0005637000000000, 0.0001568800000000 ] - [ -0.0001188800000000, -0.0000200100000000, -0.0005451000000000 ] - [ -0.0012866300000000, 0.0025000800000000, 0.0005404300000000 ] - [ -0.0011672900000000, 0.0021656600000000, -0.0004264000000000 ] - [ -0.0000805900000000, -0.0001995100000000, 0.0000942700000000 ]- atom: 175 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000504500000000, 0.0001207800000000, 0.0001409500000000 ] - [ 0.0000304600000000, 0.0001080100000000, -0.0001808200000000 ] - [ 0.0000476900000000, -0.0000180400000000, 0.0000835400000000 ] - [ -0.0000439500000000, -0.0000829300000000, -0.0002246200000000 ] - [ -0.0001914500000000, 0.0001572600000000, 0.0003129800000000 ] - [ -0.0000206300000000, -0.0001273000000000, -0.0000554000000000 ] - [ 0.0000982400000000, -0.0000422400000000, -0.0000807300000000 ] - [ -0.0001914500000000, -0.0001572600000000, 0.0003129800000000 ] - [ 0.0000009500000000, 0.0001102600000000, 0.0005697000000000 ] - [ -0.0007513200000000, 0.0011818600000000, -0.0010279500000000 ] - [ -0.0000439500000000, 0.0000829300000000, -0.0002246200000000 ] - [ -0.0022846600000000, -0.0036579500000000, 0.0068209800000000 ] - [ 0.0000102100000000, -0.0002960500000000, -0.0006485500000000 ] - [ -0.0000132100000000, -0.0000237200000000, 0.0007396500000000 ] - [ 0.0002731900000000, -0.0000656900000000, 0.0004509400000000 ] - [ 0.0000304600000000, -0.0001080100000000, -0.0001808200000000 ] - [ 0.0000887700000000, 0.0000000000000000, -0.0001617600000000 ] - [ 0.0000937100000000, 0.0001573900000000, -0.0002268000000000 ] - [ -0.0000487400000000, 0.0001868300000000, -0.0003911500000000 ] - [ 0.0000102100000000, 0.0002960500000000, -0.0006485500000000 ] - [ 0.0000982400000000, 0.0000422400000000, -0.0000807300000000 ] - [ 0.0001500400000000, 0.0000528800000000, -0.0002751200000000 ] - [ 0.0000504500000000, -0.0001207800000000, 0.0001409500000000 ] - [ 0.0011436200000000, 0.0000000000000000, -0.0010038100000000 ] - [ 0.0001836600000000, 0.0000000000000000, -0.0001451800000000 ] - [ -0.0001493200000000, -0.0002174500000000, -0.0005888700000000 ] - [ -0.0001532300000000, 0.0000148700000000, -0.0005295400000000 ] - [ -0.0009457600000000, -0.0018459400000000, 0.0062455500000000 ] - [ 0.0000794300000000, 0.0001483500000000, 0.0001412700000000 ] - [ -0.0000132100000000, 0.0000237200000000, 0.0007396500000000 ] - [ 0.0015916300000000, 0.0000000000000000, -0.0007748900000000 ] - [ 0.0056274400000000, 0.0000000000000000, 0.0078373500000000 ] - [ 0.0000292000000000, 0.0001086400000000, 0.0007525100000000 ] - [ 0.0000292000000000, -0.0001086400000000, 0.0007525100000000 ] - [ 0.0002731900000000, 0.0000656900000000, 0.0004509400000000 ] - [ -0.0001167000000000, -0.0000370600000000, -0.0002037200000000 ] - [ -0.0001753300000000, 0.0001609100000000, -0.0000610000000000 ] - [ -0.0022846600000000, 0.0036579500000000, 0.0068209800000000 ] - [ -0.0001753300000000, -0.0001609100000000, -0.0000610000000000 ] - [ 0.0000009500000000, -0.0001102600000000, 0.0005697000000000 ] - [ 0.0002552900000000, -0.0001076500000000, -0.0006505700000000 ] - [ 0.0000937100000000, -0.0001573900000000, -0.0002268000000000 ] - [ -0.0001532300000000, -0.0000148700000000, -0.0005295400000000 ] - [ -0.0000206300000000, 0.0001273000000000, -0.0000554000000000 ] - [ -0.0000487400000000, -0.0001868300000000, -0.0003911500000000 ] - [ 0.0000794300000000, -0.0001483500000000, 0.0001412700000000 ] - [ -0.0001493200000000, 0.0002174500000000, -0.0005888700000000 ] - [ -0.0001189800000000, -0.0001058400000000, -0.0002775600000000 ] - [ -0.0001189800000000, 0.0001058400000000, -0.0002775600000000 ] - [ 0.0000909800000000, 0.0000000000000000, -0.0004631800000000 ] - [ -0.0009457600000000, 0.0018459400000000, 0.0062455500000000 ] - [ -0.0007305100000000, 0.0010142600000000, -0.0007990300000000 ] - [ -0.0001167000000000, 0.0000370600000000, -0.0002037200000000 ] - [ -0.0001438800000000, 0.0002367500000000, 0.0004544800000000 ] - [ 0.0000476900000000, 0.0000180400000000, 0.0000835400000000 ] - [ 0.0001500400000000, -0.0000528800000000, -0.0002751200000000 ] - [ -0.0007513200000000, -0.0011818600000000, -0.0010279500000000 ] - [ -0.0007305100000000, -0.0010142600000000, -0.0007990300000000 ] - [ -0.0000759900000000, -0.0001333600000000, -0.0000338100000000 ] - [ -0.0000759900000000, 0.0001333600000000, -0.0000338100000000 ] - [ 0.0002552900000000, 0.0001076500000000, -0.0006505700000000 ] - [ -0.0001438800000000, -0.0002367500000000, 0.0004544800000000 ] - [ -0.0012476200000000, 0.0000000000000000, 0.0034398300000000 ] - [ 0.0009247200000000, 0.0015266600000000, -0.0004464800000000 ] - [ -0.0000349600000000, 0.0000621600000000, -0.0006036500000000 ] - [ 0.0004686000000000, 0.0007392400000000, -0.0001348000000000 ] - [ 0.0000076400000000, -0.0000150400000000, -0.0014907400000000 ] - [ 0.0001365200000000, 0.0002287900000000, -0.0008742700000000 ] - [ 0.0000076400000000, 0.0000150400000000, -0.0014907400000000 ] - [ 0.0043449800000000, 0.0000000000000000, 0.0048903000000000 ] - [ -0.0019425900000000, 0.0000000000000000, -0.0011199300000000 ] - [ -0.0019874100000000, 0.0036271600000000, 0.0043885100000000 ] - [ 0.0031791500000000, 0.0000000000000000, 0.0034310700000000 ] - [ -0.0003793600000000, 0.0000000000000000, -0.0017796600000000 ] - [ 0.0004686000000000, -0.0007392400000000, -0.0001348000000000 ] - [ -0.0019874100000000, -0.0036271600000000, 0.0043885100000000 ] - [ -0.0017834800000000, 0.0000000000000000, -0.0004066900000000 ] - [ 0.0009247200000000, -0.0015266600000000, -0.0004464800000000 ] - [ 0.0001365200000000, -0.0002287900000000, -0.0008742700000000 ] - [ 0.0000701800000000, 0.0000000000000000, -0.0018526400000000 ] - [ -0.0012659300000000, 0.0023205500000000, 0.0000074100000000 ] - [ -0.0012659300000000, -0.0023205500000000, 0.0000074100000000 ] - [ -0.0000380600000000, 0.0000000000000000, -0.0007222600000000 ] - [ -0.0000349600000000, -0.0000621600000000, -0.0006036500000000 ] - [ 0.0000530800000000, -0.0000934300000000, 0.0001215800000000 ] - [ 0.0000530800000000, 0.0000934300000000, 0.0001215800000000 ] - [ -0.0001569200000000, 0.0000000000000000, 0.0004171700000000 ] - [ 0.0001469700000000, -0.0002104600000000, 0.0005099100000000 ] - [ 0.0001851700000000, 0.0000325600000000, 0.0005543200000000 ] - [ 0.0017238500000000, 0.0000000000000000, 0.0008778500000000 ] - [ 0.0002863700000000, -0.0005102500000000, 0.0003072800000000 ] - [ -0.0000919400000000, -0.0002057400000000, -0.0001415400000000 ] - [ 0.0000258900000000, 0.0000226100000000, 0.0002306500000000 ] - [ -0.0000430300000000, 0.0000000000000000, 0.0006869300000000 ] - [ 0.0001136500000000, 0.0000288800000000, 0.0003816200000000 ] - [ -0.0000125400000000, 0.0000000000000000, 0.0002862000000000 ] - [ -0.0002157700000000, 0.0000000000000000, -0.0020197800000000 ] - [ 0.0002061900000000, -0.0000561400000000, 0.0001794200000000 ] - [ -0.0045911900000000, 0.0000000000000000, -0.0002298900000000 ] - [ -0.0007209800000000, -0.0000256000000000, -0.0001267300000000 ] - [ -0.0000919400000000, 0.0002057400000000, -0.0001415400000000 ] - [ -0.0002278600000000, 0.0002362600000000, 0.0005275100000000 ] - [ -0.0004108500000000, -0.0003605500000000, -0.0001903200000000 ] - [ 0.0003758600000000, 0.0006145300000000, -0.0001276200000000 ] - [ -0.0002236400000000, 0.0000000000000000, 0.0004838700000000 ] - [ -0.0007665900000000, -0.0001285900000000, -0.0007548000000000 ] - [ -0.0001475300000000, 0.0004045900000000, 0.0001828900000000 ] - [ 0.0004273000000000, -0.0001394000000000, -0.0000000700000000 ] - [ -0.0000615200000000, -0.0001094800000000, 0.0003718800000000 ] - [ -0.0000563800000000, 0.0000532300000000, 0.0000246400000000 ] - [ 0.0000735700000000, 0.0001005500000000, -0.0023428300000000 ] - [ 0.0000807100000000, -0.0001399000000000, 0.0001139200000000 ] - [ -0.0002278600000000, -0.0002362600000000, 0.0005275100000000 ] - [ -0.0002968400000000, 0.0004884900000000, -0.0000569200000000 ] - [ -0.0007735000000000, 0.0015667800000000, 0.0009293900000000 ] - [ -0.0000202000000000, -0.0000334800000000, 0.0014926600000000 ] - [ 0.0000793800000000, 0.0000000000000000, 0.0004535000000000 ] - [ 0.0001469700000000, 0.0002104600000000, 0.0005099100000000 ] - [ -0.0040438400000000, 0.0000000000000000, -0.0012892500000000 ] - [ -0.0001463300000000, -0.0005059000000000, -0.0002021400000000 ] - [ 0.0006805500000000, 0.0006650900000000, -0.0008870900000000 ] - [ 0.0026783900000000, 0.0046796500000000, -0.0011348800000000 ] - [ -0.0000178200000000, 0.0000636700000000, 0.0000221200000000 ] - [ -0.0001781000000000, 0.0002500300000000, 0.0002098900000000 ] - [ 0.0000553200000000, 0.0000000000000000, 0.0013169000000000 ] - [ 0.0000258900000000, -0.0000226100000000, 0.0002306500000000 ] - [ 0.0018470700000000, 0.0030965500000000, -0.0002875200000000 ] - [ -0.0004108500000000, 0.0003605500000000, -0.0001903200000000 ] - [ -0.0001781000000000, -0.0002500300000000, 0.0002098900000000 ] - [ -0.0001191000000000, 0.0001403600000000, 0.0005538000000000 ] - [ 0.0026783900000000, -0.0046796500000000, -0.0011348800000000 ] - [ 0.0001136500000000, -0.0000288800000000, 0.0003816200000000 ] - [ -0.0001191000000000, -0.0001403600000000, 0.0005538000000000 ] - [ -0.0013824000000000, 0.0009814100000000, -0.0003351800000000 ] - [ -0.0000615200000000, 0.0001094800000000, 0.0003718800000000 ] - [ 0.0002863700000000, 0.0005102500000000, 0.0003072800000000 ] - [ 0.0001396900000000, 0.0000000000000000, 0.0008034100000000 ] - [ 0.0018470700000000, -0.0030965500000000, -0.0002875200000000 ] - [ -0.0000178200000000, -0.0000636700000000, 0.0000221200000000 ] - [ 0.0001695700000000, 0.0010800300000000, -0.0009873200000000 ] - [ 0.0012502700000000, 0.0005509500000000, -0.0003582900000000 ] - [ -0.0002968400000000, -0.0004884900000000, -0.0000569200000000 ] - [ -0.0001710100000000, 0.0000000000000000, -0.0030608300000000 ] - [ -0.0013824000000000, -0.0009814100000000, -0.0003351800000000 ] - [ 0.0016383200000000, 0.0000000000000000, 0.0007709300000000 ] - [ 0.0001851700000000, -0.0000325600000000, 0.0005543200000000 ] - [ -0.0007735000000000, -0.0015667800000000, 0.0009293900000000 ] - [ 0.0004273000000000, 0.0001394000000000, -0.0000000700000000 ] - [ 0.0001695700000000, -0.0010800300000000, -0.0009873200000000 ] - [ -0.0000307700000000, -0.0000553700000000, 0.0002032900000000 ] - [ 0.0004405100000000, 0.0000000000000000, 0.0005122400000000 ] - [ 0.0000807100000000, 0.0001399000000000, 0.0001139200000000 ] - [ -0.0000202000000000, 0.0000334800000000, 0.0014926600000000 ] - [ 0.0003758600000000, -0.0006145300000000, -0.0001276200000000 ] - [ 0.0003350200000000, 0.0006274200000000, -0.0001407100000000 ] - [ -0.0007665900000000, 0.0001285900000000, -0.0007548000000000 ] - [ -0.0001463300000000, 0.0005059000000000, -0.0002021400000000 ] - [ -0.0007209800000000, 0.0000256000000000, -0.0001267300000000 ] - [ -0.0000563800000000, -0.0000532300000000, 0.0000246400000000 ] - [ 0.0003350200000000, -0.0006274200000000, -0.0001407100000000 ] - [ -0.0001926700000000, -0.0013070000000000, -0.0003627000000000 ] - [ -0.0001475300000000, -0.0004045900000000, 0.0001828900000000 ] - [ -0.0001926700000000, 0.0013070000000000, -0.0003627000000000 ] - [ 0.0000735700000000, -0.0001005500000000, -0.0023428300000000 ] - [ 0.0003903700000000, 0.0000000000000000, 0.0006053000000000 ] - [ 0.0006805500000000, -0.0006650900000000, -0.0008870900000000 ] - [ -0.0001839400000000, -0.0000287900000000, 0.0008924900000000 ] - [ 0.0012502700000000, -0.0005509500000000, -0.0003582900000000 ] - [ 0.0002061900000000, 0.0000561400000000, 0.0001794200000000 ] - [ -0.0000307700000000, 0.0000553700000000, 0.0002032900000000 ] - [ -0.0001839400000000, 0.0000287900000000, 0.0008924900000000 ] - [ 0.0000480700000000, 0.0000033900000000, 0.0002990700000000 ] - [ -0.0000563800000000, -0.0001011300000000, -0.0000708700000000 ] - [ -0.0000029800000000, 0.0000158100000000, -0.0000475300000000 ] - [ 0.0010596300000000, 0.0000000000000000, -0.0539157500000000 ] - [ -0.0000002000000000, -0.0000546100000000, 0.0003662900000000 ] - [ -0.0000029800000000, -0.0000158100000000, -0.0000475300000000 ] - [ -0.0000058800000000, 0.0000000000000000, 0.0003642000000000 ] - [ 0.0001287400000000, 0.0001966900000000, -0.0004147000000000 ] - [ 0.0000480700000000, -0.0000033900000000, 0.0002990700000000 ] - [ 0.0001252900000000, -0.0001818300000000, -0.0000660800000000 ] - [ -0.0001103000000000, 0.0000000000000000, 0.0003005700000000 ] - [ -0.0000002000000000, 0.0000546100000000, 0.0003662900000000 ] - [ -0.0002046600000000, 0.0000000000000000, -0.0001229700000000 ] - [ 0.0001287400000000, -0.0001966900000000, -0.0004147000000000 ] - [ 0.0001252900000000, 0.0001818300000000, -0.0000660800000000 ] - [ 0.0009537700000000, 0.0000000000000000, 0.0114992500000000 ] - [ -0.0011458200000000, 0.0000000000000000, 0.0086074000000000 ] - [ -0.0000563800000000, 0.0001011300000000, -0.0000708700000000 ]- atom: 175 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000010300000000, 0.0003066800000000, 0.0002904200000000 ] - [ -0.0001467800000000, 0.0001098500000000, 0.0005227000000000 ] - [ -0.0001071800000000, 0.0001292400000000, 0.0001969300000000 ] - [ 0.0000581300000000, -0.0001994100000000, 0.0004731300000000 ] - [ -0.0000620000000000, 0.0002884100000000, -0.0007574100000000 ] - [ -0.0002013100000000, -0.0002616700000000, 0.0000443700000000 ] - [ 0.0003552800000000, 0.0000483000000000, 0.0000673400000000 ] - [ -0.0000620000000000, -0.0002884100000000, -0.0007574100000000 ] - [ -0.0001306900000000, 0.0001257500000000, -0.0004477600000000 ] - [ 0.0005289900000000, -0.0008037100000000, 0.0010199600000000 ] - [ 0.0000581300000000, 0.0001994100000000, 0.0004731300000000 ] - [ 0.0022974600000000, 0.0034532200000000, -0.0072030600000000 ] - [ -0.0002087700000000, -0.0001226200000000, 0.0000608300000000 ] - [ 0.0000364700000000, -0.0001336200000000, -0.0002350800000000 ] - [ 0.0001592700000000, -0.0000397400000000, -0.0007115400000000 ] - [ -0.0001467800000000, -0.0001098500000000, 0.0005227000000000 ] - [ 0.0001656200000000, 0.0000000000000000, 0.0005009300000000 ] - [ 0.0001456900000000, 0.0000124900000000, 0.0004736600000000 ] - [ 0.0000187400000000, 0.0001109500000000, 0.0004983300000000 ] - [ -0.0002087700000000, 0.0001226200000000, 0.0000608300000000 ] - [ 0.0003552800000000, -0.0000483000000000, 0.0000673400000000 ] - [ 0.0001192000000000, 0.0000656200000000, 0.0003860400000000 ] - [ 0.0000010300000000, -0.0003066800000000, 0.0002904200000000 ] - [ -0.0010148700000000, 0.0000000000000000, 0.0012832300000000 ] - [ 0.0000931900000000, 0.0000000000000000, 0.0007330200000000 ] - [ -0.0001213100000000, -0.0001543000000000, 0.0000016800000000 ] - [ 0.0000446000000000, 0.0001835700000000, 0.0001953200000000 ] - [ 0.0006737800000000, 0.0015596600000000, -0.0055594300000000 ] - [ 0.0002611100000000, 0.0001036900000000, 0.0002902000000000 ] - [ 0.0000364700000000, 0.0001336200000000, -0.0002350800000000 ] - [ -0.0008528800000000, 0.0000000000000000, 0.0008157900000000 ] - [ -0.0054664600000000, 0.0000000000000000, -0.0084727800000000 ] - [ 0.0001005300000000, -0.0000085200000000, -0.0002502300000000 ] - [ 0.0001005300000000, 0.0000085200000000, -0.0002502300000000 ] - [ 0.0001592700000000, 0.0000397400000000, -0.0007115400000000 ] - [ -0.0001436800000000, -0.0000804700000000, 0.0004529000000000 ] - [ -0.0002054700000000, 0.0004871000000000, 0.0000980500000000 ] - [ 0.0022974600000000, -0.0034532200000000, -0.0072030600000000 ] - [ -0.0002054700000000, -0.0004871000000000, 0.0000980500000000 ] - [ -0.0001306900000000, -0.0001257500000000, -0.0004477600000000 ] - [ 0.0002112000000000, 0.0001646700000000, 0.0000633700000000 ] - [ 0.0001456900000000, -0.0000124900000000, 0.0004736600000000 ] - [ 0.0000446000000000, -0.0001835700000000, 0.0001953200000000 ] - [ -0.0002013100000000, 0.0002616700000000, 0.0000443700000000 ] - [ 0.0000187400000000, -0.0001109500000000, 0.0004983300000000 ] - [ 0.0002611100000000, -0.0001036900000000, 0.0002902000000000 ] - [ -0.0001213100000000, 0.0001543000000000, 0.0000016800000000 ] - [ -0.0001213700000000, -0.0000710400000000, 0.0003839000000000 ] - [ -0.0001213700000000, 0.0000710400000000, 0.0003839000000000 ] - [ 0.0001411400000000, 0.0000000000000000, 0.0001319400000000 ] - [ 0.0006737800000000, -0.0015596600000000, -0.0055594300000000 ] - [ 0.0003321300000000, -0.0008349400000000, 0.0012245400000000 ] - [ -0.0001436800000000, 0.0000804700000000, 0.0004529000000000 ] - [ -0.0001639800000000, 0.0000914100000000, -0.0007109600000000 ] - [ -0.0001071800000000, -0.0001292400000000, 0.0001969300000000 ] - [ 0.0001192000000000, -0.0000656200000000, 0.0003860400000000 ] - [ 0.0005289900000000, 0.0008037100000000, 0.0010199600000000 ] - [ 0.0003321300000000, 0.0008349400000000, 0.0012245400000000 ] - [ -0.0000596300000000, -0.0001095300000000, 0.0006195900000000 ] - [ -0.0000596300000000, 0.0001095300000000, 0.0006195900000000 ] - [ 0.0002112000000000, -0.0001646700000000, 0.0000633700000000 ] - [ -0.0001639800000000, -0.0000914100000000, -0.0007109600000000 ] - [ 0.0016540000000000, 0.0000000000000000, -0.0032260100000000 ] - [ -0.0008672200000000, -0.0016127000000000, 0.0010403600000000 ] - [ -0.0000332500000000, 0.0000532400000000, 0.0008418500000000 ] - [ -0.0004719200000000, -0.0007484500000000, 0.0002912900000000 ] - [ -0.0000079700000000, 0.0000152500000000, 0.0005041000000000 ] - [ 0.0001447700000000, 0.0002597800000000, 0.0007708000000000 ] - [ -0.0000079700000000, -0.0000152500000000, 0.0005041000000000 ] - [ -0.0043594600000000, 0.0000000000000000, -0.0039875700000000 ] - [ 0.0019499800000000, 0.0000000000000000, 0.0004396300000000 ] - [ 0.0022124000000000, -0.0032057100000000, -0.0048626300000000 ] - [ -0.0036292300000000, 0.0000000000000000, -0.0039043900000000 ] - [ -0.0001851100000000, 0.0000000000000000, 0.0016832500000000 ] - [ -0.0004719200000000, 0.0007484500000000, 0.0002912900000000 ] - [ 0.0022124000000000, 0.0032057100000000, -0.0048626300000000 ] - [ 0.0016717800000000, 0.0000000000000000, 0.0009972100000000 ] - [ -0.0008672200000000, 0.0016127000000000, 0.0010403600000000 ] - [ 0.0001447700000000, -0.0002597800000000, 0.0007708000000000 ] - [ 0.0000624700000000, 0.0000000000000000, 0.0020810200000000 ] - [ 0.0012756700000000, -0.0023468800000000, -0.0005944500000000 ] - [ 0.0012756700000000, 0.0023468800000000, -0.0005944500000000 ] - [ 0.0000394600000000, 0.0000000000000000, 0.0014254000000000 ] - [ -0.0000332500000000, -0.0000532400000000, 0.0008418500000000 ] - [ -0.0000547100000000, 0.0000921700000000, -0.0003619100000000 ] - [ -0.0000547100000000, -0.0000921700000000, -0.0003619100000000 ] - [ 0.0001583400000000, 0.0000000000000000, -0.0000904500000000 ] - [ -0.0000275700000000, 0.0000046300000000, -0.0002550000000000 ] - [ 0.0002425800000000, 0.0001517800000000, -0.0000068300000000 ] - [ -0.0010898300000000, 0.0000000000000000, -0.0004530600000000 ] - [ -0.0002886700000000, 0.0005137000000000, 0.0007516700000000 ] - [ 0.0002916200000000, 0.0004813200000000, -0.0005069300000000 ] - [ 0.0001308000000000, 0.0002409900000000, -0.0003220700000000 ] - [ -0.0002585900000000, 0.0000000000000000, -0.0007814000000000 ] - [ 0.0001536100000000, 0.0001126900000000, -0.0008810600000000 ] - [ 0.0000105900000000, 0.0000000000000000, -0.0011158300000000 ] - [ 0.0002964900000000, 0.0000000000000000, 0.0024777300000000 ] - [ -0.0007051100000000, 0.0004382100000000, 0.0001946200000000 ] - [ 0.0056993400000000, 0.0000000000000000, 0.0010244600000000 ] - [ -0.0009434300000000, -0.0000212900000000, -0.0008445500000000 ] - [ 0.0002916200000000, -0.0004813200000000, -0.0005069300000000 ] - [ 0.0001336000000000, -0.0003889600000000, -0.0007326400000000 ] - [ 0.0000785000000000, 0.0003989700000000, -0.0004565300000000 ] - [ 0.0004939900000000, 0.0008011300000000, -0.0008440300000000 ] - [ -0.0000150400000000, 0.0000000000000000, -0.0002281200000000 ] - [ 0.0010342600000000, 0.0005756400000000, 0.0005080900000000 ] - [ 0.0007232100000000, -0.0001630200000000, 0.0001913800000000 ] - [ -0.0005543500000000, 0.0003570100000000, 0.0000079600000000 ] - [ -0.0000706600000000, -0.0001268100000000, -0.0007506800000000 ] - [ 0.0000500400000000, 0.0002490200000000, -0.0005203200000000 ] - [ -0.0001165500000000, -0.0000235100000000, 0.0028022300000000 ] - [ 0.0001498900000000, -0.0002554500000000, -0.0004531700000000 ] - [ 0.0001336000000000, 0.0003889600000000, -0.0007326400000000 ] - [ 0.0002991000000000, -0.0004897100000000, 0.0000325400000000 ] - [ 0.0006951200000000, -0.0009446800000000, -0.0005531400000000 ] - [ 0.0000180000000000, 0.0000341300000000, 0.0001441200000000 ] - [ -0.0005341700000000, 0.0000000000000000, -0.0007895500000000 ] - [ -0.0000275700000000, -0.0000046300000000, -0.0002550000000000 ] - [ 0.0038215200000000, 0.0000000000000000, 0.0009637300000000 ] - [ 0.0002838500000000, 0.0002043200000000, -0.0004442900000000 ] - [ -0.0012131100000000, -0.0006529900000000, 0.0006398900000000 ] - [ -0.0024243200000000, -0.0042117900000000, 0.0008990700000000 ] - [ -0.0002379700000000, 0.0000973700000000, -0.0005189900000000 ] - [ -0.0001380400000000, -0.0007900700000000, 0.0002140500000000 ] - [ 0.0000760400000000, 0.0000000000000000, -0.0018124700000000 ] - [ 0.0001308000000000, -0.0002409900000000, -0.0003220700000000 ] - [ -0.0019398300000000, -0.0032652300000000, 0.0005815900000000 ] - [ 0.0000785000000000, -0.0003989700000000, -0.0004565300000000 ] - [ -0.0001380400000000, 0.0007900700000000, 0.0002140500000000 ] - [ -0.0002473700000000, 0.0001335000000000, -0.0000073300000000 ] - [ -0.0024243200000000, 0.0042117900000000, 0.0008990700000000 ] - [ 0.0001536100000000, -0.0001126900000000, -0.0008810600000000 ] - [ -0.0002473700000000, -0.0001335000000000, -0.0000073300000000 ] - [ 0.0008301500000000, -0.0000191300000000, 0.0011390300000000 ] - [ -0.0000706600000000, 0.0001268100000000, -0.0007506800000000 ] - [ -0.0002886700000000, -0.0005137000000000, 0.0007516700000000 ] - [ 0.0001346000000000, 0.0000000000000000, -0.0011833800000000 ] - [ -0.0019398300000000, 0.0032652300000000, 0.0005815900000000 ] - [ -0.0002379700000000, -0.0000973700000000, -0.0005189900000000 ] - [ -0.0000676700000000, -0.0012633400000000, 0.0006524600000000 ] - [ -0.0010808000000000, -0.0005501700000000, 0.0006709000000000 ] - [ 0.0002991000000000, 0.0004897100000000, 0.0000325400000000 ] - [ 0.0001773500000000, 0.0000000000000000, 0.0021719300000000 ] - [ 0.0008301500000000, 0.0000191300000000, 0.0011390300000000 ] - [ -0.0013946900000000, 0.0000000000000000, -0.0007649600000000 ] - [ 0.0002425800000000, -0.0001517800000000, -0.0000068300000000 ] - [ 0.0006951200000000, 0.0009446800000000, -0.0005531400000000 ] - [ -0.0005543500000000, -0.0003570100000000, 0.0000079600000000 ] - [ -0.0000676700000000, 0.0012633400000000, 0.0006524600000000 ] - [ -0.0000295200000000, -0.0000555200000000, -0.0007069500000000 ] - [ -0.0002631200000000, 0.0000000000000000, -0.0007175800000000 ] - [ 0.0001498900000000, 0.0002554500000000, -0.0004531700000000 ] - [ 0.0000180000000000, -0.0000341300000000, 0.0001441200000000 ] - [ 0.0004939900000000, -0.0008011300000000, -0.0008440300000000 ] - [ 0.0004530800000000, 0.0008384700000000, -0.0008310100000000 ] - [ 0.0010342600000000, -0.0005756400000000, 0.0005080900000000 ] - [ 0.0002838500000000, -0.0002043200000000, -0.0004442900000000 ] - [ -0.0009434300000000, 0.0000212900000000, -0.0008445500000000 ] - [ 0.0000500400000000, -0.0002490200000000, -0.0005203200000000 ] - [ 0.0004530800000000, -0.0008384700000000, -0.0008310100000000 ] - [ 0.0001039900000000, 0.0011690800000000, 0.0006770000000000 ] - [ 0.0007232100000000, 0.0001630200000000, 0.0001913800000000 ] - [ 0.0001039900000000, -0.0011690800000000, 0.0006770000000000 ] - [ -0.0001165500000000, 0.0000235100000000, 0.0028022300000000 ] - [ -0.0003948400000000, 0.0000000000000000, -0.0006887200000000 ] - [ -0.0012131100000000, 0.0006529900000000, 0.0006398900000000 ] - [ 0.0001262000000000, 0.0004795300000000, -0.0003437700000000 ] - [ -0.0010808000000000, 0.0005501700000000, 0.0006709000000000 ] - [ -0.0007051100000000, -0.0004382100000000, 0.0001946200000000 ] - [ -0.0000295200000000, 0.0000555200000000, -0.0007069500000000 ] - [ 0.0001262000000000, -0.0004795300000000, -0.0003437700000000 ] - [ -0.0000061100000000, -0.0000833000000000, -0.0003490000000000 ] - [ -0.0000599900000000, -0.0001034000000000, 0.0002641700000000 ] - [ 0.0000002700000000, -0.0000224600000000, 0.0002060400000000 ] - [ -0.0013727800000000, 0.0000000000000000, 0.0541404300000000 ] - [ 0.0000263800000000, 0.0000079300000000, -0.0003321900000000 ] - [ 0.0000002700000000, 0.0000224600000000, 0.0002060400000000 ] - [ -0.0000484400000000, 0.0000000000000000, -0.0003288300000000 ] - [ 0.0001059100000000, 0.0002038900000000, 0.0007488400000000 ] - [ -0.0000061100000000, 0.0000833000000000, -0.0003490000000000 ] - [ -0.0001109400000000, 0.0002019600000000, -0.0006409700000000 ] - [ 0.0000157800000000, 0.0000000000000000, -0.0003474500000000 ] - [ 0.0000263800000000, -0.0000079300000000, -0.0003321900000000 ] - [ 0.0001918200000000, 0.0000000000000000, -0.0005863900000000 ] - [ 0.0001059100000000, -0.0002038900000000, 0.0007488400000000 ] - [ -0.0001109400000000, -0.0002019600000000, -0.0006409700000000 ] - [ -0.0006964900000000, 0.0000000000000000, -0.0110765500000000 ] - [ 0.0011536700000000, 0.0000000000000000, -0.0085969700000000 ] - [ -0.0000599900000000, 0.0001034000000000, 0.0002641700000000 ]- atom: 176 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001119100000000, -0.0000476200000000, -0.0002362600000000 ] - [ 0.0049691100000000, -0.0020810300000000, 0.0021401700000000 ] - [ -0.0001357200000000, 0.0002777400000000, 0.0002338100000000 ] - [ -0.0009465200000000, -0.0001820400000000, 0.0003094600000000 ] - [ -0.0001331500000000, 0.0002473500000000, -0.0002196000000000 ] - [ -0.0001020800000000, -0.0001609100000000, -0.0000296200000000 ] - [ 0.0002895900000000, 0.0000015800000000, 0.0001031400000000 ] - [ -0.0001318700000000, -0.0002224600000000, -0.0002112100000000 ] - [ -0.0000218700000000, 0.0001257000000000, 0.0000835300000000 ] - [ -0.0001055200000000, 0.0001654800000000, -0.0000330000000000 ] - [ 0.0000586700000000, -0.0000563900000000, 0.0000738600000000 ] - [ -0.0000769600000000, -0.0002431700000000, -0.0001266600000000 ] - [ -0.0004367200000000, -0.0004446200000000, -0.0005389200000000 ] - [ 0.0000226400000000, -0.0000541000000000, 0.0002645400000000 ] - [ 0.0001624700000000, -0.0000531700000000, -0.0001327900000000 ] - [ 0.0000941800000000, 0.0001539500000000, 0.0001060700000000 ] - [ -0.0002045600000000, 0.0007660300000000, 0.0000132700000000 ] - [ 0.0141357500000000, -0.0003383000000000, -0.0071582300000000 ] - [ 0.0000946100000000, -0.0000944700000000, -0.0001022300000000 ] - [ -0.0000328000000000, 0.0000511900000000, -0.0001945100000000 ] - [ 0.0002034900000000, 0.0000553000000000, -0.0000588100000000 ] - [ -0.0001506100000000, 0.0007113900000000, -0.0001101900000000 ] - [ 0.0000006400000000, -0.0001565200000000, 0.0005501800000000 ] - [ 0.0003304000000000, -0.0000158900000000, 0.0002635900000000 ] - [ -0.0001913700000000, -0.0006278600000000, 0.0001290600000000 ] - [ 0.0002468900000000, -0.0001751600000000, 0.0000066500000000 ] - [ 0.0003579100000000, 0.0000857600000000, 0.0002322000000000 ] - [ -0.0000294900000000, -0.0000275400000000, 0.0002800800000000 ] - [ -0.0003927600000000, 0.0001275800000000, 0.0000533200000000 ] - [ -0.0000455300000000, 0.0001031100000000, 0.0001972100000000 ] - [ 0.0003396400000000, -0.0000605800000000, -0.0000269800000000 ] - [ 0.0002815900000000, 0.0000003000000000, -0.0002195200000000 ] - [ 0.0001144500000000, 0.0000463600000000, 0.0001952900000000 ] - [ 0.0000425500000000, -0.0000199700000000, 0.0002706200000000 ] - [ 0.0002427700000000, 0.0000552200000000, -0.0001318900000000 ] - [ 0.0057578800000000, 0.0041222700000000, 0.0034587300000000 ] - [ -0.0001137900000000, 0.0003293400000000, -0.0000349900000000 ] - [ -0.0000539000000000, 0.0001926500000000, -0.0001395800000000 ] - [ -0.0002738400000000, -0.0003483600000000, 0.0000788800000000 ] - [ -0.0001185100000000, -0.0001385200000000, 0.0000074600000000 ] - [ 0.0005776400000000, 0.0000290400000000, -0.0009601900000000 ] - [ -0.0001527100000000, -0.0008532400000000, 0.0000065600000000 ] - [ -0.0000094000000000, 0.0000523200000000, -0.0000277400000000 ] - [ -0.0001984500000000, 0.0002199900000000, 0.0000613300000000 ] - [ 0.0054012200000000, 0.0024086000000000, 0.0024267600000000 ] - [ 0.0004281900000000, -0.0001063000000000, 0.0002992500000000 ] - [ -0.0004754400000000, 0.0004297600000000, -0.0005372400000000 ] - [ -0.0000669300000000, 0.0001553500000000, -0.0000741500000000 ] - [ -0.0010265900000000, 0.0002297800000000, 0.0003743000000000 ] - [ -0.0000461400000000, 0.0001560300000000, 0.0000076800000000 ] - [ -0.0000660000000000, 0.0000046700000000, 0.0002651000000000 ] - [ -0.0002356000000000, 0.0000423800000000, 0.0005703300000000 ] - [ -0.0010532300000000, 0.0001171800000000, 0.0003057300000000 ] - [ -0.0001548700000000, 0.0001552800000000, -0.0001242000000000 ] - [ 0.0000404900000000, 0.0001625400000000, -0.0003213800000000 ] - [ 0.0091167000000000, 0.0000903400000000, -0.0039171400000000 ] - [ -0.0000362200000000, -0.0002067600000000, -0.0000667900000000 ] - [ -0.0003237300000000, -0.0003363000000000, 0.0002987000000000 ] - [ -0.0009364000000000, -0.0002760000000000, 0.0006152700000000 ] - [ 0.0042641200000000, -0.0007948600000000, 0.0009978100000000 ] - [ 0.0000499800000000, -0.0001784200000000, -0.0001577200000000 ] - [ -0.0001443700000000, -0.0001462600000000, -0.0001356900000000 ] - [ 0.0001134500000000, -0.0000252200000000, 0.0000830500000000 ] - [ 0.0005199000000000, -0.0000253800000000, 0.0003810000000000 ] - [ -0.0017008400000000, 0.0034680000000000, 0.0013590600000000 ] - [ 0.0000568200000000, -0.0000950800000000, 0.0001843200000000 ] - [ -0.0069169700000000, 0.0000906300000000, -0.0023974300000000 ] - [ -0.0005883700000000, 0.0002862900000000, 0.0016946100000000 ] - [ -0.0012883600000000, -0.0030184700000000, 0.0004355300000000 ] - [ 0.0000704100000000, 0.0001038100000000, 0.0003911000000000 ] - [ 0.0000788600000000, 0.0001182000000000, -0.0000405200000000 ] - [ 0.0000701100000000, 0.0002056600000000, -0.0002451400000000 ] - [ -0.0002826400000000, -0.0000020900000000, -0.0002476100000000 ] - [ -0.0001221200000000, -0.0005310000000000, -0.0009509400000000 ] - [ -0.0001236000000000, 0.0000029800000000, -0.0001597300000000 ] - [ 0.0002158100000000, -0.0001995300000000, -0.0002432700000000 ] - [ -0.0004310700000000, 0.0002721000000000, 0.0002773200000000 ] - [ -0.0003045500000000, -0.0002364600000000, 0.0002985200000000 ] - [ 0.0002793400000000, 0.0002602200000000, -0.0009016300000000 ] - [ -0.0017771300000000, -0.0035774100000000, 0.0013721200000000 ] - [ -0.0000935600000000, 0.0000000000000000, -0.0000368400000000 ] - [ 0.0000382400000000, -0.0000772700000000, -0.0004343900000000 ] - [ -0.0012849800000000, 0.0033670200000000, 0.0003920300000000 ] - [ -0.0081512000000000, -0.0000331900000000, -0.0024021000000000 ] - [ 0.0009342000000000, -0.0000209900000000, -0.0006741600000000 ] - [ -0.0000932500000000, 0.0005664200000000, 0.0001408800000000 ] - [ -0.0000910900000000, -0.0004131100000000, 0.0004159400000000 ] - [ 0.0005858200000000, -0.0032125300000000, -0.0011228900000000 ] - [ 0.0000661800000000, -0.0016886300000000, 0.0004163500000000 ] - [ 0.0005598700000000, 0.0000148300000000, 0.0002058400000000 ] - [ 0.0000541400000000, -0.0000028700000000, 0.0002926500000000 ] - [ 0.0000584400000000, 0.0001842000000000, -0.0003882600000000 ] - [ 0.0004663200000000, 0.0004449600000000, -0.0004840800000000 ] - [ -0.0000588400000000, 0.0001681400000000, 0.0001587100000000 ] - [ -0.0000198500000000, 0.0002573800000000, -0.0000153700000000 ] - [ 0.0001701400000000, -0.0011811300000000, -0.0005345400000000 ] - [ 0.0000592200000000, -0.0000041500000000, 0.0002338400000000 ] - [ -0.0000176300000000, -0.0000454300000000, 0.0002252100000000 ] - [ 0.0005031500000000, -0.0000124700000000, 0.0004127200000000 ] - [ -0.0002140400000000, 0.0006867600000000, -0.0005876700000000 ] - [ 0.0001656900000000, -0.0001545000000000, -0.0002301300000000 ] - [ 0.0001302300000000, 0.0000557400000000, -0.0001004600000000 ] - [ -0.0001887000000000, 0.0000625600000000, -0.0003871800000000 ] - [ 0.0027234800000000, 0.0018601900000000, -0.0005727100000000 ] - [ 0.0006148500000000, -0.0005448300000000, -0.0000621400000000 ] - [ 0.0001453400000000, 0.0002251000000000, -0.0001258100000000 ] - [ 0.0005002900000000, 0.0000970500000000, 0.0001812100000000 ] - [ -0.0000303900000000, 0.0000092000000000, -0.0000681700000000 ] - [ 0.0007480100000000, -0.0001033900000000, -0.0014179700000000 ] - [ -0.0001785900000000, -0.0001874900000000, -0.0000329300000000 ] - [ -0.0000560300000000, 0.0000346000000000, 0.0002292100000000 ] - [ 0.0013638100000000, -0.0048462300000000, -0.0020532900000000 ] - [ -0.0014231100000000, 0.0000971500000000, -0.0002360500000000 ] - [ 0.0000229200000000, 0.0000012800000000, 0.0000929200000000 ] - [ -0.0000457500000000, 0.0004249900000000, 0.0001708600000000 ] - [ 0.0002765400000000, 0.0006729300000000, -0.0001931500000000 ] - [ 0.0007671600000000, 0.0008422900000000, -0.0002419400000000 ] - [ -0.0002400800000000, -0.0013257900000000, -0.0001017500000000 ] - [ -0.0000759800000000, 0.0000094500000000, -0.0001554500000000 ] - [ 0.0000366300000000, -0.0000940600000000, -0.0003416000000000 ] - [ -0.0003185900000000, 0.0000030000000000, -0.0001417000000000 ] - [ 0.0000854000000000, 0.0002176200000000, -0.0001100700000000 ] - [ -0.0000487100000000, -0.0000862400000000, -0.0000649300000000 ] - [ 0.0000663200000000, -0.0000343100000000, 0.0002520400000000 ] - [ 0.0004777600000000, 0.0008570000000000, -0.0015965400000000 ] - [ -0.0000620700000000, -0.0002763500000000, 0.0001615500000000 ] - [ -0.0000210700000000, -0.0000138600000000, 0.0001925600000000 ] - [ -0.0001120500000000, -0.0000189800000000, -0.0001794500000000 ] - [ -0.0003973800000000, 0.0004628600000000, 0.0002662200000000 ] - [ 0.0111661000000000, 0.0005618000000000, 0.0050276800000000 ] - [ 0.0001378900000000, -0.0002411600000000, -0.0001268300000000 ] - [ -0.0000553100000000, 0.0002839800000000, -0.0000287200000000 ] - [ 0.0006677500000000, -0.0009338300000000, 0.0001888500000000 ] - [ -0.0002719100000000, 0.0004333000000000, 0.0004179400000000 ] - [ -0.0000990800000000, -0.0003829400000000, 0.0004168600000000 ] - [ -0.0000264900000000, 0.0000438000000000, 0.0006559400000000 ] - [ 0.0001124100000000, 0.0005106600000000, 0.0004540600000000 ] - [ -0.0000424400000000, 0.0001029600000000, 0.0000878500000000 ] - [ 0.0000032300000000, -0.0000758000000000, -0.0007074700000000 ] - [ 0.0000111400000000, -0.0000843100000000, -0.0001561500000000 ] - [ 0.0000308400000000, 0.0000100500000000, 0.0001914300000000 ] - [ -0.0000081900000000, 0.0000178800000000, -0.0000594200000000 ] - [ -0.0000140400000000, -0.0000208000000000, -0.0004142100000000 ] - [ -0.0003157700000000, -0.0005442300000000, 0.0004650800000000 ] - [ 0.0000207700000000, -0.0000125700000000, -0.0000626300000000 ] - [ 0.0029959700000000, -0.0016013400000000, 0.0001973000000000 ] - [ -0.0002879900000000, -0.0005129300000000, 0.0002315700000000 ] - [ -0.0000789000000000, -0.0001431200000000, -0.0000760800000000 ] - [ 0.0000783700000000, 0.0000945700000000, -0.0001679500000000 ] - [ 0.0018352900000000, -0.0000473500000000, 0.0023967700000000 ] - [ 0.0002853500000000, -0.0001304600000000, -0.0000878800000000 ] - [ 0.0029932900000000, 0.0018193000000000, -0.0003051700000000 ] - [ 0.0015496300000000, -0.0000228600000000, 0.0029302500000000 ] - [ 0.0002356400000000, 0.0008072300000000, -0.0003172400000000 ] - [ 0.0011441200000000, 0.0045177500000000, -0.0021777400000000 ] - [ 0.0001624000000000, -0.0002308800000000, -0.0001242700000000 ] - [ 0.0001378800000000, 0.0001687600000000, -0.0002310100000000 ] - [ 0.0070037600000000, -0.0001249800000000, 0.0031184100000000 ] - [ 0.0003834400000000, -0.0004669200000000, -0.0006558300000000 ] - [ 0.0026483200000000, -0.0019604800000000, -0.0005803900000000 ] - [ -0.0000450800000000, -0.0000997100000000, 0.0000901400000000 ] - [ -0.0003650200000000, -0.0001249100000000, 0.0000122400000000 ] - [ -0.0000587600000000, 0.0000982000000000, 0.0002000900000000 ] - [ -0.0000065100000000, -0.0000371700000000, 0.0002331200000000 ] - [ -0.0000301700000000, -0.0000752100000000, -0.0002837500000000 ] - [ -0.0002432900000000, -0.0000228700000000, -0.0001111500000000 ] - [ 0.0016915800000000, 0.0059359900000000, -0.0021351200000000 ] - [ 0.0002019600000000, -0.0000041900000000, 0.0000978000000000 ] - [ -0.0002323900000000, -0.0002954700000000, 0.0001760700000000 ] - [ 0.0002944700000000, -0.0006870300000000, -0.0014009400000000 ] - [ -0.0002256400000000, 0.0017663100000000, 0.0004382400000000 ] - [ -0.0028945200000000, -0.0000576800000000, 0.0003703600000000 ] - [ -0.0000219100000000, -0.0000922100000000, 0.0003673800000000 ] - [ -0.0000166300000000, -0.0000374400000000, 0.0001129100000000 ] - [ -0.0002407700000000, 0.0000200100000000, 0.0001555500000000 ] - [ -0.0570532200000000, -0.0060331100000000, 0.0019204500000000 ] - [ 0.0000331100000000, -0.0000018600000000, 0.0000217000000000 ] - [ 0.0003845700000000, -0.0001393200000000, 0.0000033300000000 ] - [ 0.0001338500000000, 0.0002007300000000, 0.0002016700000000 ] - [ 0.0002648300000000, -0.0001272000000000, -0.0000284800000000 ] - [ 0.0000697600000000, 0.0000151300000000, -0.0003476600000000 ] - [ 0.0002046000000000, 0.0001695200000000, -0.0000277600000000 ] - [ 0.0003576200000000, 0.0001226500000000, 0.0000233800000000 ] - [ 0.0000668000000000, -0.0000145700000000, -0.0003590800000000 ] - [ 0.0001090700000000, -0.0002160100000000, 0.0001581700000000 ] - [ -0.0001589800000000, 0.0000031700000000, -0.0003378000000000 ] - [ 0.0001020200000000, 0.0000390500000000, -0.0000363200000000 ] - [ -0.0000209400000000, 0.0000239500000000, 0.0001130900000000 ] - [ -0.0000819600000000, 0.0000693100000000, -0.0000187100000000 ]- atom: 176 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000632100000000, 0.0004683000000000, 0.0006686000000000 ] - [ -0.0051065700000000, 0.0024071700000000, -0.0018872700000000 ] - [ 0.0000843900000000, -0.0001738100000000, 0.0000453000000000 ] - [ 0.0009650100000000, -0.0000982400000000, -0.0000586500000000 ] - [ -0.0001157600000000, 0.0001981900000000, -0.0002228000000000 ] - [ -0.0001190300000000, -0.0002240000000000, 0.0000226000000000 ] - [ 0.0001624800000000, 0.0000030200000000, -0.0001140200000000 ] - [ -0.0001278300000000, -0.0002273300000000, -0.0002277900000000 ] - [ -0.0001054300000000, 0.0001185000000000, 0.0000316700000000 ] - [ -0.0001289300000000, 0.0002245500000000, 0.0000216500000000 ] - [ -0.0000449900000000, 0.0003453900000000, 0.0001687100000000 ] - [ -0.0000616000000000, -0.0001936000000000, -0.0001216600000000 ] - [ 0.0002380200000000, 0.0000365300000000, -0.0000510800000000 ] - [ 0.0000074900000000, -0.0001021700000000, 0.0002390600000000 ] - [ 0.0002682500000000, -0.0000542300000000, -0.0001238100000000 ] - [ -0.0002128000000000, -0.0003582000000000, 0.0002356000000000 ] - [ 0.0004567300000000, -0.0007550400000000, 0.0003248300000000 ] - [ -0.0131867600000000, 0.0004667100000000, 0.0068417700000000 ] - [ -0.0001247600000000, 0.0003934000000000, 0.0002128300000000 ] - [ -0.0001613100000000, 0.0003761400000000, -0.0003936500000000 ] - [ 0.0002516800000000, -0.0000631700000000, 0.0000473000000000 ] - [ 0.0004243100000000, -0.0005847400000000, 0.0002201200000000 ] - [ 0.0000562000000000, -0.0002761500000000, -0.0001223200000000 ] - [ -0.0002148800000000, 0.0000256800000000, 0.0000149900000000 ] - [ 0.0004725500000000, 0.0006316500000000, 0.0004552800000000 ] - [ -0.0005017200000000, -0.0002019000000000, -0.0005904900000000 ] - [ -0.0004699200000000, 0.0001228100000000, -0.0005614900000000 ] - [ -0.0001201100000000, -0.0000237200000000, 0.0002218300000000 ] - [ 0.0007313400000000, 0.0001270200000000, 0.0003804000000000 ] - [ 0.0000617500000000, 0.0000539900000000, 0.0003023500000000 ] - [ 0.0004091100000000, 0.0000482700000000, 0.0000685200000000 ] - [ 0.0002293200000000, 0.0000069300000000, -0.0002231700000000 ] - [ 0.0000125200000000, 0.0000464200000000, 0.0003027200000000 ] - [ 0.0000879900000000, -0.0000868500000000, 0.0002282400000000 ] - [ 0.0001937600000000, 0.0000485100000000, -0.0001253900000000 ] - [ -0.0060128300000000, -0.0043646300000000, -0.0033013000000000 ] - [ -0.0002699700000000, 0.0003124700000000, 0.0000773800000000 ] - [ -0.0000737500000000, 0.0002368800000000, -0.0001175900000000 ] - [ -0.0001038600000000, -0.0003049500000000, -0.0000416200000000 ] - [ -0.0000136800000000, -0.0000899000000000, 0.0001127700000000 ] - [ -0.0001017800000000, 0.0000167400000000, 0.0003718400000000 ] - [ 0.0003853100000000, 0.0006758600000000, 0.0002380400000000 ] - [ -0.0001013100000000, -0.0002433900000000, -0.0003137000000000 ] - [ -0.0000242700000000, 0.0001744100000000, -0.0000729900000000 ] - [ -0.0053948700000000, -0.0025967300000000, -0.0022205400000000 ] - [ -0.0000881400000000, -0.0001457600000000, 0.0001278700000000 ] - [ 0.0001881600000000, -0.0000627200000000, -0.0000513700000000 ] - [ -0.0001813500000000, -0.0003374100000000, 0.0001755300000000 ] - [ 0.0007894000000000, -0.0000571000000000, -0.0002678000000000 ] - [ 0.0002789800000000, -0.0001485800000000, -0.0003416000000000 ] - [ -0.0000917500000000, 0.0000548900000000, 0.0002333500000000 ] - [ -0.0001477800000000, 0.0001263400000000, -0.0001423900000000 ] - [ 0.0007807500000000, -0.0000016400000000, -0.0000598000000000 ] - [ -0.0001536800000000, 0.0001639900000000, -0.0001322300000000 ] - [ -0.0001081200000000, -0.0002757900000000, 0.0005965100000000 ] - [ -0.0093435000000000, -0.0002317100000000, 0.0044550300000000 ] - [ -0.0001856400000000, -0.0001769400000000, 0.0000602000000000 ] - [ -0.0000779500000000, 0.0001665600000000, 0.0001281200000000 ] - [ 0.0007944900000000, 0.0000373300000000, -0.0000358800000000 ] - [ -0.0043611800000000, 0.0009548900000000, -0.0003447600000000 ] - [ 0.0004080100000000, 0.0001131800000000, -0.0004285100000000 ] - [ -0.0001641500000000, -0.0001921900000000, -0.0001133800000000 ] - [ 0.0001636100000000, 0.0000367200000000, 0.0000322900000000 ] - [ -0.0004711800000000, -0.0000646500000000, 0.0001799100000000 ] - [ 0.0016381400000000, -0.0033683000000000, -0.0011268700000000 ] - [ -0.0000509600000000, 0.0000892100000000, -0.0000208900000000 ] - [ 0.0068941500000000, -0.0000913100000000, 0.0014002600000000 ] - [ 0.0008628200000000, 0.0002007500000000, -0.0018066200000000 ] - [ 0.0012801800000000, 0.0030047700000000, -0.0014232300000000 ] - [ -0.0000707800000000, -0.0001023300000000, 0.0005098300000000 ] - [ -0.0000797500000000, -0.0001181600000000, -0.0006343400000000 ] - [ 0.0001664800000000, 0.0002045300000000, -0.0002230900000000 ] - [ -0.0001827800000000, 0.0000011200000000, -0.0002271200000000 ] - [ -0.0004403700000000, 0.0005334300000000, 0.0008519000000000 ] - [ 0.0001178700000000, 0.0000007600000000, 0.0003210400000000 ] - [ 0.0000159000000000, -0.0002030500000000, -0.0002334000000000 ] - [ 0.0003285000000000, -0.0002765300000000, 0.0003157000000000 ] - [ 0.0003615800000000, 0.0003365500000000, 0.0003000900000000 ] - [ 0.0000080700000000, -0.0007531800000000, 0.0008020000000000 ] - [ 0.0019148600000000, 0.0035930100000000, -0.0011419300000000 ] - [ 0.0001108100000000, -0.0000092900000000, -0.0005552400000000 ] - [ -0.0000542100000000, 0.0000858200000000, -0.0001598300000000 ] - [ 0.0012766900000000, -0.0033567700000000, 0.0003071300000000 ] - [ 0.0081038500000000, -0.0000857900000000, 0.0026446300000000 ] - [ -0.0009353800000000, 0.0000171500000000, 0.0004314700000000 ] - [ 0.0000936100000000, -0.0005690000000000, -0.0003791000000000 ] - [ 0.0000954900000000, 0.0004164600000000, -0.0000878900000000 ] - [ -0.0004546500000000, 0.0030090100000000, 0.0013795800000000 ] - [ 0.0003600200000000, 0.0018687700000000, 0.0001308100000000 ] - [ 0.0000668300000000, -0.0000186800000000, 0.0002206700000000 ] - [ -0.0000560500000000, 0.0000018500000000, 0.0007722500000000 ] - [ 0.0001391900000000, 0.0000908500000000, -0.0002607700000000 ] - [ -0.0003078500000000, -0.0001740400000000, 0.0003938700000000 ] - [ -0.0002484200000000, -0.0001601600000000, -0.0002510000000000 ] - [ 0.0002854700000000, -0.0001095500000000, -0.0004822800000000 ] - [ -0.0001675100000000, 0.0011773900000000, -0.0002830700000000 ] - [ 0.0000238300000000, -0.0000002000000000, 0.0002171300000000 ] - [ -0.0004854600000000, 0.0004389800000000, 0.0001514500000000 ] - [ 0.0006056000000000, 0.0000169200000000, 0.0003928100000000 ] - [ -0.0014407100000000, -0.0007376300000000, -0.0003805000000000 ] - [ 0.0000354000000000, -0.0001214400000000, -0.0004180700000000 ] - [ -0.0002230600000000, -0.0002176700000000, -0.0001015100000000 ] - [ -0.0001503000000000, -0.0000259900000000, -0.0002618900000000 ] - [ -0.0018414600000000, -0.0004420800000000, -0.0003979300000000 ] - [ -0.0008399500000000, 0.0005453000000000, 0.0003152500000000 ] - [ 0.0001251900000000, 0.0002202400000000, -0.0001212100000000 ] - [ 0.0000641800000000, 0.0001431600000000, 0.0001964700000000 ] - [ -0.0000934700000000, 0.0002050500000000, 0.0000736400000000 ] - [ -0.0008818000000000, -0.0001276000000000, 0.0010533300000000 ] - [ 0.0001745800000000, 0.0004957900000000, -0.0004640700000000 ] - [ 0.0000109000000000, 0.0000350200000000, 0.0002228600000000 ] - [ -0.0011470600000000, 0.0044512000000000, 0.0017120800000000 ] - [ 0.0013286400000000, 0.0000510400000000, 0.0000785600000000 ] - [ -0.0000212500000000, 0.0000014000000000, -0.0001236500000000 ] - [ -0.0000276600000000, 0.0001830100000000, 0.0002066500000000 ] - [ -0.0002779600000000, -0.0006743100000000, 0.0018208600000000 ] - [ -0.0012278000000000, -0.0008407300000000, -0.0000978800000000 ] - [ 0.0003559200000000, 0.0015231000000000, 0.0003538300000000 ] - [ -0.0001374100000000, -0.0000179300000000, -0.0001800300000000 ] - [ 0.0000981300000000, -0.0002083800000000, -0.0003045000000000 ] - [ -0.0002030500000000, 0.0000036800000000, -0.0001046100000000 ] - [ 0.0001645300000000, 0.0002382700000000, -0.0001365100000000 ] - [ -0.0002128400000000, 0.0002509800000000, -0.0004346200000000 ] - [ -0.0003824700000000, -0.0005144700000000, 0.0001761700000000 ] - [ -0.0003474100000000, -0.0008530700000000, 0.0010890300000000 ] - [ 0.0002186400000000, 0.0000185200000000, -0.0002542400000000 ] - [ -0.0000571200000000, -0.0001326200000000, 0.0001259800000000 ] - [ -0.0002189200000000, -0.0000159100000000, -0.0004662600000000 ] - [ 0.0000761000000000, 0.0000841300000000, 0.0001704800000000 ] - [ -0.0117098900000000, -0.0002937700000000, -0.0045606500000000 ] - [ 0.0001195000000000, -0.0002366700000000, -0.0001219700000000 ] - [ 0.0003273100000000, -0.0004265200000000, -0.0004706500000000 ] - [ -0.0010302800000000, 0.0006645600000000, 0.0003543600000000 ] - [ -0.0002771900000000, 0.0005280000000000, 0.0003877800000000 ] - [ -0.0000337800000000, 0.0006240300000000, -0.0007869900000000 ] - [ 0.0000267000000000, -0.0000447300000000, 0.0004111200000000 ] - [ 0.0001591800000000, -0.0005038500000000, -0.0008245200000000 ] - [ -0.0000453000000000, 0.0000529100000000, 0.0002262500000000 ] - [ -0.0002577700000000, -0.0000813500000000, 0.0002136100000000 ] - [ 0.0000882100000000, -0.0001047800000000, -0.0001792100000000 ] - [ 0.0001479900000000, -0.0000073900000000, 0.0001230900000000 ] - [ 0.0000098600000000, -0.0000144700000000, 0.0000275500000000 ] - [ 0.0000162000000000, 0.0000239900000000, -0.0004602700000000 ] - [ -0.0002354500000000, -0.0004120600000000, 0.0003402900000000 ] - [ 0.0002271800000000, 0.0000119600000000, 0.0000681500000000 ] - [ -0.0025872300000000, 0.0014286200000000, 0.0003511500000000 ] - [ 0.0002095800000000, -0.0001148400000000, 0.0001555100000000 ] - [ -0.0000427200000000, -0.0000686900000000, 0.0000813500000000 ] - [ 0.0000238200000000, 0.0000820600000000, -0.0001671700000000 ] - [ -0.0019090800000000, -0.0000564500000000, -0.0029314000000000 ] - [ -0.0001109000000000, 0.0001249100000000, -0.0001140400000000 ] - [ -0.0027853100000000, -0.0014395700000000, -0.0000334100000000 ] - [ -0.0015408500000000, 0.0000181800000000, -0.0012795500000000 ] - [ 0.0006307100000000, -0.0022218700000000, -0.0006535100000000 ] - [ -0.0003444000000000, -0.0030589700000000, 0.0012073700000000 ] - [ 0.0001048800000000, -0.0002183000000000, -0.0001222400000000 ] - [ 0.0000005800000000, 0.0001386300000000, -0.0004164400000000 ] - [ -0.0085736200000000, 0.0001644300000000, -0.0040394100000000 ] - [ -0.0003873600000000, 0.0001637700000000, 0.0001618500000000 ] - [ -0.0018501600000000, 0.0004851700000000, -0.0003893200000000 ] - [ -0.0000433700000000, -0.0000419400000000, 0.0002278300000000 ] - [ 0.0009643100000000, -0.0001145400000000, 0.0003737100000000 ] - [ -0.0000240100000000, 0.0000369400000000, 0.0001200500000000 ] - [ -0.0000378600000000, -0.0000400500000000, 0.0002188400000000 ] - [ 0.0000277200000000, 0.0000698000000000, 0.0002042900000000 ] - [ -0.0002989300000000, 0.0000067600000000, -0.0001375400000000 ] - [ -0.0017632600000000, -0.0054609700000000, 0.0026740900000000 ] - [ -0.0000440200000000, -0.0000003400000000, 0.0002219400000000 ] - [ -0.0002681800000000, -0.0000789300000000, 0.0002011300000000 ] - [ -0.0003554200000000, 0.0008052900000000, 0.0008944300000000 ] - [ 0.0001683700000000, -0.0022086000000000, 0.0001072500000000 ] - [ 0.0029323600000000, -0.0000262300000000, -0.0004721800000000 ] - [ -0.0000922500000000, -0.0001083000000000, -0.0001728900000000 ] - [ 0.0000132400000000, 0.0000200100000000, 0.0000446100000000 ] - [ -0.0002175000000000, -0.0000143700000000, 0.0001820700000000 ] - [ 0.0569240500000000, 0.0060359500000000, -0.0017332900000000 ] - [ -0.0000354300000000, -0.0000032900000000, 0.0001348900000000 ] - [ -0.0004396300000000, 0.0001426400000000, 0.0000309300000000 ] - [ 0.0000998800000000, 0.0002034000000000, 0.0001342800000000 ] - [ -0.0002211900000000, 0.0001989100000000, -0.0000245400000000 ] - [ -0.0000523600000000, 0.0000143700000000, -0.0003548100000000 ] - [ -0.0003002700000000, -0.0001732900000000, -0.0000194600000000 ] - [ -0.0003318300000000, -0.0000815400000000, 0.0000080800000000 ] - [ -0.0000817200000000, 0.0000227000000000, -0.0003478200000000 ] - [ 0.0001249300000000, -0.0001777300000000, 0.0001795600000000 ] - [ 0.0001731900000000, -0.0000129200000000, -0.0003730800000000 ] - [ 0.0001354300000000, -0.0000373900000000, 0.0002317300000000 ] - [ 0.0000072600000000, -0.0000356900000000, 0.0000443500000000 ] - [ -0.0000355000000000, 0.0001391600000000, 0.0002149400000000 ]- atom: 176 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003743800000000, -0.0000686300000000, 0.0000043400000000 ] - [ 0.0018640000000000, -0.0032285400000000, 0.0073148800000000 ] - [ -0.0000308700000000, 0.0000534800000000, -0.0000111900000000 ] - [ 0.0000622700000000, -0.0001061700000000, 0.0007156700000000 ] - [ -0.0001379000000000, 0.0002388500000000, -0.0005896700000000 ] - [ -0.0000876600000000, -0.0001493300000000, -0.0003369500000000 ] - [ 0.0003626600000000, 0.0000204200000000, -0.0005389500000000 ] - [ -0.0001436200000000, -0.0002344300000000, -0.0006127800000000 ] - [ 0.0000077900000000, -0.0000134900000000, -0.0005556000000000 ] - [ -0.0001102900000000, 0.0001402800000000, -0.0003390900000000 ] - [ 0.0000470400000000, 0.0001005700000000, 0.0007152000000000 ] - [ -0.0000495700000000, -0.0001935000000000, -0.0004867800000000 ] - [ -0.0001564700000000, -0.0002713000000000, -0.0004065100000000 ] - [ -0.0000050800000000, -0.0001643500000000, -0.0000402000000000 ] - [ 0.0001923600000000, -0.0000538200000000, -0.0004867800000000 ] - [ -0.0001318600000000, -0.0000807400000000, 0.0007171400000000 ] - [ 0.0001358500000000, 0.0000738300000000, 0.0007171400000000 ] - [ -0.0067497900000000, 0.0003265500000000, 0.0085973300000000 ] - [ -0.0000273500000000, 0.0000718600000000, 0.0006865300000000 ] - [ -0.0001166400000000, 0.0002998000000000, -0.0004068100000000 ] - [ 0.0001731600000000, 0.0000012500000000, -0.0003369500000000 ] - [ 0.0000816600000000, 0.0001044700000000, 0.0006622700000000 ] - [ 0.0004628200000000, -0.0004357800000000, 0.0000217400000000 ] - [ 0.0000556300000000, 0.0004781300000000, -0.0000966500000000 ] - [ 0.0000921000000000, -0.0000370400000000, 0.0009190700000000 ] - [ 0.0004441100000000, 0.0007676400000000, -0.0014091700000000 ] - [ 0.0005259800000000, -0.0009110200000000, -0.0013264800000000 ] - [ -0.0000020700000000, 0.0001152300000000, -0.0003546100000000 ] - [ 0.0001504200000000, 0.0001286900000000, 0.0000542300000000 ] - [ -0.0000397000000000, 0.0001452700000000, -0.0000408500000000 ] - [ 0.0003304900000000, -0.0000107800000000, -0.0003095800000000 ] - [ 0.0002748300000000, 0.0000071600000000, -0.0006127800000000 ] - [ -0.0000987600000000, 0.0000594100000000, -0.0003546100000000 ] - [ 0.0001448700000000, -0.0000777800000000, -0.0000402000000000 ] - [ 0.0001956000000000, 0.0000460900000000, -0.0005107100000000 ] - [ 0.0030920900000000, 0.0060087700000000, 0.0085973300000000 ] - [ -0.0002532300000000, 0.0004386100000000, -0.0005365600000000 ] - [ -0.0000420500000000, 0.0001956500000000, -0.0005126500000000 ] - [ -0.0001559200000000, -0.0002916000000000, -0.0003095800000000 ] - [ -0.0001246200000000, -0.0001771400000000, -0.0002357500000000 ] - [ -0.0008868500000000, -0.0000007900000000, -0.0014091700000000 ] - [ 0.0000608100000000, -0.0001070100000000, 0.0007156700000000 ] - [ -0.0000681900000000, -0.0001860800000000, -0.0002668000000000 ] - [ -0.0000663500000000, 0.0001656500000000, -0.0003390900000000 ] - [ 0.0023056000000000, 0.0034593900000000, 0.0073887500000000 ] - [ 0.0001459800000000, -0.0006187100000000, 0.0000217400000000 ] - [ -0.0002013100000000, 0.0002509200000000, -0.0004068100000000 ] - [ -0.0001313000000000, -0.0000184800000000, 0.0006622700000000 ] - [ -0.0000485600000000, 0.0000596200000000, 0.0006865300000000 ] - [ 0.0001952500000000, -0.0000339900000000, -0.0002668000000000 ] - [ -0.0001059600000000, 0.0001070200000000, -0.0000408500000000 ] - [ 0.0002466300000000, 0.0002899100000000, 0.0000043400000000 ] - [ -0.0001106200000000, 0.0000095500000000, 0.0007152000000000 ] - [ -0.0001484100000000, 0.0001342500000000, -0.0005126500000000 ] - [ -0.0004418900000000, 0.0001908900000000, -0.0000966500000000 ] - [ -0.0041487100000000, -0.0002670100000000, 0.0073887500000000 ] - [ -0.0001990200000000, -0.0003038600000000, -0.0005389500000000 ] - [ -0.0001866600000000, -0.0000659200000000, 0.0000542300000000 ] - [ -0.0000139700000000, -0.0000982800000000, 0.0009190700000000 ] - [ 0.0006707200000000, -0.0011617100000000, 0.0057443800000000 ] - [ 0.0003131900000000, -0.0000001400000000, -0.0004065100000000 ] - [ -0.0001377100000000, -0.0001463500000000, -0.0005107100000000 ] - [ 0.0002157200000000, 0.0000193500000000, -0.0002357500000000 ] - [ 0.0000247000000000, -0.0000427800000000, -0.0067428500000000 ] - [ 0.0011860300000000, -0.0020542700000000, 0.0005114300000000 ] - [ 0.0001711600000000, 0.0003157100000000, -0.0009948500000000 ] - [ -0.0029172900000000, 0.0000217600000000, -0.0002357600000000 ] - [ 0.0016143100000000, 0.0002782600000000, -0.0001909800000000 ] - [ 0.0014397900000000, 0.0025373300000000, -0.0002357600000000 ] - [ -0.0001296400000000, 0.0002245400000000, -0.0006004100000000 ] - [ 0.0000773400000000, -0.0001339500000000, -0.0014018100000000 ] - [ 0.0001202000000000, 0.0002056600000000, -0.0011792700000000 ] - [ -0.0002382100000000, -0.0000012700000000, -0.0011792700000000 ] - [ -0.0010481300000000, -0.0012589000000000, -0.0001909800000000 ] - [ -0.0003589900000000, 0.0000096300000000, -0.0009948500000000 ] - [ 0.0001171400000000, -0.0002029000000000, -0.0017307700000000 ] - [ -0.0000534300000000, 0.0000100600000000, 0.0002987000000000 ] - [ 0.0000180000000000, 0.0000513000000000, 0.0002987000000000 ] - [ -0.0005723200000000, 0.0009912900000000, -0.0001443400000000 ] - [ 0.0013269200000000, 0.0022659400000000, 0.0003746400000000 ] - [ 0.0002011000000000, 0.0000036000000000, -0.0013075900000000 ] - [ -0.0001036700000000, -0.0001723500000000, -0.0013075900000000 ] - [ 0.0022346600000000, -0.0038705400000000, 0.0047492600000000 ] - [ -0.0026258200000000, -0.0000161800000000, 0.0003746400000000 ] - [ -0.0005783500000000, 0.0000134600000000, -0.0002074200000000 ] - [ 0.0002775200000000, 0.0005075900000000, -0.0002074200000000 ] - [ 0.0002709100000000, -0.0004692300000000, 0.0001533800000000 ] - [ -0.0024089000000000, 0.0041723400000000, -0.0004168000000000 ] - [ 0.0003266100000000, 0.0012591300000000, -0.0002769500000000 ] - [ 0.0002666300000000, -0.0000147700000000, 0.0002852500000000 ] - [ -0.0001465100000000, 0.0000009800000000, 0.0011485900000000 ] - [ -0.0000793100000000, -0.0001881000000000, 0.0001587700000000 ] - [ -0.0003098900000000, -0.0001610500000000, 0.0001297500000000 ] - [ 0.0002944200000000, 0.0001878500000000, 0.0001297500000000 ] - [ 0.0007006800000000, 0.0010287300000000, 0.0000388300000000 ] - [ -0.0001584200000000, 0.0002743900000000, -0.0029543400000000 ] - [ 0.0000555200000000, -0.0000010800000000, 0.0008410900000000 ] - [ -0.0002113100000000, 0.0001551600000000, 0.0002640200000000 ] - [ 0.0007574800000000, -0.0001205600000000, 0.0008023100000000 ] - [ -0.0020120400000000, -0.0005813700000000, -0.0010331100000000 ] - [ 0.0001388500000000, -0.0000898100000000, -0.0000020200000000 ] - [ -0.0000325400000000, -0.0000745600000000, -0.0001837600000000 ] - [ -0.0001468700000000, -0.0000371000000000, -0.0000039300000000 ] - [ 0.0015095100000000, 0.0014517900000000, -0.0010331100000000 ] - [ -0.0010740000000000, 0.0006981400000000, -0.0006072700000000 ] - [ 0.0000889500000000, 0.0001263400000000, 0.0002167400000000 ] - [ 0.0002487900000000, 0.0001302900000000, 0.0002625300000000 ] - [ -0.0001628800000000, 0.0002821100000000, 0.0003873900000000 ] - [ -0.0007246100000000, -0.0001368500000000, -0.0002176300000000 ] - [ -0.0000607500000000, -0.0003159900000000, -0.0001123900000000 ] - [ -0.0000265900000000, 0.0000460500000000, 0.0012407500000000 ] - [ -0.0015577900000000, 0.0026981700000000, -0.0006761600000000 ] - [ -0.0001330800000000, 0.0002305000000000, 0.0088553300000000 ] - [ 0.0000647400000000, -0.0000012900000000, 0.0007141500000000 ] - [ -0.0000287200000000, 0.0002605800000000, 0.0002640200000000 ] - [ -0.0003246200000000, -0.0005736500000000, 0.0007144500000000 ] - [ -0.0015009500000000, -0.0005434200000000, -0.0007469500000000 ] - [ -0.0000676000000000, 0.0012791800000000, -0.0006072700000000 ] - [ -0.0000121500000000, -0.0000027900000000, 0.0001609600000000 ] - [ 0.0000083500000000, -0.0001651600000000, -0.0000020200000000 ] - [ -0.0000790900000000, 0.0000134600000000, 0.0003868700000000 ] - [ 0.0000278800000000, 0.0000752200000000, 0.0003868700000000 ] - [ 0.0003040300000000, -0.0001053800000000, -0.0001123900000000 ] - [ -0.0001205200000000, -0.0002383000000000, 0.0002852500000000 ] - [ -0.0002119600000000, -0.0004837200000000, -0.0005344900000000 ] - [ 0.0006284700000000, -0.0010885400000000, 0.0002127700000000 ] - [ 0.0000575400000000, 0.0000989000000000, 0.0005215700000000 ] - [ 0.0002025600000000, -0.0000253600000000, 0.0001587700000000 ] - [ -0.0009148200000000, 0.0015845100000000, 0.0023250900000000 ] - [ 0.0041374000000000, 0.0002306600000000, -0.0001340900000000 ] - [ 0.0000650000000000, -0.0001398900000000, 0.0002177900000000 ] - [ 0.0000832000000000, 0.0003928100000000, -0.0001081900000000 ] - [ -0.0012537400000000, 0.0003467100000000, -0.0002769500000000 ] - [ -0.0002740700000000, 0.0004746900000000, 0.0006946500000000 ] - [ 0.0002558000000000, -0.0004430500000000, -0.0002100000000000 ] - [ 0.0000724100000000, 0.0001273700000000, 0.0011485900000000 ] - [ 0.0004808200000000, 0.0005591100000000, -0.0002176300000000 ] - [ -0.0000759500000000, -0.0000121300000000, 0.0005213700000000 ] - [ -0.0012412500000000, -0.0000924400000000, 0.0000388300000000 ] - [ -0.0000235400000000, 0.0000407700000000, 0.0003122300000000 ] - [ 0.0000316100000000, 0.0000744100000000, 0.0005212200000000 ] - [ -0.0000312500000000, -0.0000567100000000, 0.0007141500000000 ] - [ 0.0000179800000000, -0.0000311300000000, 0.0002858600000000 ] - [ -0.0002743400000000, -0.0007162800000000, 0.0008023100000000 ] - [ 0.0002016700000000, 0.0000608700000000, 0.0003782900000000 ] - [ 0.0012700000000000, -0.0009150500000000, -0.0002856400000000 ] - [ -0.0008175800000000, -0.0016074000000000, 0.0022838000000000 ] - [ -0.0001535500000000, -0.0001442200000000, 0.0003782900000000 ] - [ 0.0000084900000000, 0.0000091300000000, 0.0001609600000000 ] - [ 0.0005249000000000, -0.0000583000000000, -0.0005344900000000 ] - [ 0.0000808400000000, -0.0000091000000000, -0.0001837600000000 ] - [ 0.0012210900000000, 0.0010281500000000, -0.0007469500000000 ] - [ 0.0006591100000000, -0.0000057000000000, 0.0007144500000000 ] - [ 0.0005689900000000, -0.0020093200000000, -0.0010285400000000 ] - [ -0.0013667100000000, -0.0024634200000000, -0.0007088100000000 ] - [ 0.0000886500000000, -0.0001262300000000, 0.0002177900000000 ] - [ 0.0001055600000000, 0.0001086400000000, -0.0000039300000000 ] - [ 0.0028167400000000, -0.0000481000000000, -0.0007088100000000 ] - [ -0.0003817800000000, 0.0001243600000000, -0.0001081900000000 ] - [ 0.0014556300000000, -0.0014974200000000, -0.0010285400000000 ] - [ -0.0000802400000000, 0.0000098300000000, 0.0005212200000000 ] - [ 0.0018008400000000, -0.0000956600000000, 0.0022838000000000 ] - [ 0.0000484800000000, 0.0000597100000000, 0.0005213700000000 ] - [ -0.0000268300000000, -0.0000486200000000, 0.0008410900000000 ] - [ -0.0000765200000000, 0.0001325300000000, 0.0006318100000000 ] - [ -0.0001538900000000, -0.0000138700000000, 0.0002167400000000 ] - [ -0.0022684600000000, -0.0034677600000000, -0.0001340900000000 ] - [ -0.0001144200000000, -0.0000003800000000, 0.0005215700000000 ] - [ -0.0002372300000000, -0.0001503100000000, 0.0002625300000000 ] - [ -0.0002913100000000, 0.0005045700000000, -0.0006357900000000 ] - [ 0.0001574500000000, -0.0015573800000000, -0.0002856400000000 ] - [ 0.0004901300000000, -0.0008489400000000, 0.0117049500000000 ] - [ 0.0001891000000000, -0.0001036100000000, 0.0003831400000000 ] - [ 0.0000166400000000, -0.0000288200000000, 0.0004574800000000 ] - [ -0.0002440500000000, -0.0000259000000000, 0.0005171300000000 ] - [ 0.0018462600000000, -0.0031978100000000, -0.0590630900000000 ] - [ -0.0000319600000000, -0.0000059000000000, 0.0004469000000000 ] - [ -0.0000221700000000, -0.0000123500000000, -0.0006220900000000 ] - [ 0.0001444500000000, 0.0001984000000000, 0.0005171300000000 ] - [ 0.0000237500000000, 0.0000347300000000, -0.0001940500000000 ] - [ 0.0000107900000000, 0.0000249100000000, -0.0001261400000000 ] - [ -0.0000419500000000, -0.0000032000000000, -0.0001940500000000 ] - [ 0.0000217800000000, 0.0000130300000000, -0.0006220900000000 ] - [ -0.0000269700000000, 0.0000031100000000, -0.0001261400000000 ] - [ 0.0000981600000000, -0.0001700200000000, 0.0005146600000000 ] - [ -0.0000435900000000, 0.0000755100000000, 0.0008692300000000 ] - [ -0.0000048200000000, -0.0002155700000000, 0.0003831400000000 ] - [ 0.0000210900000000, 0.0000247300000000, 0.0004469000000000 ] - [ -0.0002019100000000, 0.0003497100000000, 0.0003815900000000 ]- atom: 176 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004268100000000, 0.0004899200000000, 0.0004219500000000 ] - [ -0.0021407300000000, 0.0037078500000000, -0.0071548700000000 ] - [ -0.0000300100000000, 0.0000519800000000, 0.0002905200000000 ] - [ -0.0000321300000000, -0.0001770100000000, -0.0004665500000000 ] - [ -0.0001167800000000, 0.0002022700000000, 0.0001458500000000 ] - [ -0.0001332900000000, -0.0002409900000000, 0.0003276100000000 ] - [ 0.0000865600000000, -0.0000178000000000, 0.0005287200000000 ] - [ -0.0001157900000000, -0.0002082500000000, 0.0001715900000000 ] - [ -0.0001454600000000, 0.0002519400000000, 0.0006774700000000 ] - [ -0.0001217500000000, 0.0002491800000000, 0.0003279100000000 ] - [ -0.0000190700000000, 0.0001896400000000, -0.0004692400000000 ] - [ -0.0000806800000000, -0.0002374200000000, 0.0002327400000000 ] - [ -0.0000297800000000, -0.0001478400000000, -0.0001799200000000 ] - [ 0.0000336200000000, 0.0000043500000000, 0.0005422600000000 ] - [ 0.0002459500000000, -0.0000488400000000, 0.0002327400000000 ] - [ 0.0000014900000000, -0.0001279900000000, -0.0003779900000000 ] - [ 0.0001101000000000, -0.0000652900000000, -0.0003779900000000 ] - [ 0.0073274500000000, -0.0001828700000000, -0.0085002900000000 ] - [ -0.0000047300000000, 0.0002206600000000, -0.0005727100000000 ] - [ -0.0000668700000000, 0.0001312100000000, -0.0001798600000000 ] - [ 0.0002753500000000, -0.0000050600000000, 0.0003276100000000 ] - [ 0.0001920800000000, 0.0000181300000000, -0.0005530100000000 ] - [ -0.0004156800000000, 0.0000115900000000, 0.0004036400000000 ] - [ 0.0000715300000000, -0.0004781700000000, 0.0003719000000000 ] - [ 0.0001873200000000, 0.0000412500000000, -0.0003348900000000 ] - [ -0.0007033100000000, -0.0011399100000000, 0.0008172200000000 ] - [ -0.0006385200000000, 0.0011059500000000, 0.0009903600000000 ] - [ -0.0001454400000000, -0.0001748900000000, 0.0008596700000000 ] - [ 0.0001917400000000, 0.0001306100000000, 0.0003718800000000 ] - [ 0.0000616100000000, 0.0000154400000000, 0.0005410200000000 ] - [ 0.0004211900000000, 0.0000049000000000, 0.0003486600000000 ] - [ 0.0002382500000000, -0.0000038500000000, 0.0001715900000000 ] - [ 0.0002241700000000, 0.0000385100000000, 0.0008596700000000 ] - [ -0.0000205800000000, -0.0000269400000000, 0.0005422600000000 ] - [ 0.0002458100000000, 0.0000555100000000, 0.0002552100000000 ] - [ -0.0035053500000000, -0.0064371900000000, -0.0085002900000000 ] - [ -0.0001218300000000, 0.0002110200000000, 0.0005763600000000 ] - [ -0.0000833200000000, 0.0002320500000000, 0.0002540100000000 ] - [ -0.0002148400000000, -0.0003623100000000, 0.0003486600000000 ] - [ -0.0000144500000000, -0.0000516300000000, 0.0003552000000000 ] - [ 0.0013388400000000, 0.0000391300000000, 0.0008172200000000 ] - [ 0.0001693600000000, -0.0000606800000000, -0.0004665500000000 ] - [ -0.0000490800000000, -0.0000086100000000, -0.0000677200000000 ] - [ -0.0001549300000000, 0.0002300300000000, 0.0003279100000000 ] - [ -0.0021727500000000, -0.0034942400000000, -0.0071034300000000 ] - [ 0.0001978100000000, 0.0003657800000000, 0.0004036400000000 ] - [ -0.0000802000000000, 0.0001235100000000, -0.0001798600000000 ] - [ -0.0001117400000000, -0.0001572800000000, -0.0005530100000000 ] - [ -0.0001887300000000, 0.0001144300000000, -0.0005727100000000 ] - [ 0.0000319900000000, 0.0000382000000000, -0.0000677200000000 ] - [ -0.0000441700000000, -0.0000456400000000, 0.0005410200000000 ] - [ -0.0006376900000000, -0.0001246600000000, 0.0004219500000000 ] - [ -0.0001546900000000, 0.0001113300000000, -0.0004692400000000 ] - [ -0.0001593100000000, 0.0001881800000000, 0.0002540100000000 ] - [ 0.0003783400000000, -0.0003010300000000, 0.0003719000000000 ] - [ 0.0041124800000000, 0.0001345400000000, -0.0071034300000000 ] - [ -0.0000278700000000, -0.0000838600000000, 0.0005287200000000 ] - [ -0.0002089800000000, -0.0001007500000000, 0.0003718800000000 ] - [ -0.0001293800000000, -0.0001416000000000, -0.0003348900000000 ] - [ -0.0007075600000000, 0.0012255300000000, -0.0050349400000000 ] - [ 0.0001429200000000, -0.0000481300000000, -0.0001799200000000 ] - [ -0.0001709800000000, -0.0001851200000000, 0.0002552100000000 ] - [ 0.0000519400000000, -0.0000133100000000, 0.0003552000000000 ] - [ 0.0000276700000000, -0.0000479200000000, 0.0073646900000000 ] - [ -0.0012432100000000, 0.0021533000000000, -0.0002864400000000 ] - [ -0.0001659600000000, -0.0003110100000000, 0.0011591300000000 ] - [ 0.0029346000000000, -0.0000217500000000, -0.0007450800000000 ] - [ -0.0013244000000000, 0.0002106100000000, 0.0000969300000000 ] - [ -0.0014484700000000, -0.0025523100000000, -0.0007450800000000 ] - [ 0.0001305600000000, -0.0002261400000000, 0.0014976800000000 ] - [ -0.0000767700000000, 0.0001329800000000, 0.0007254100000000 ] - [ 0.0001148500000000, 0.0002006800000000, 0.0007084500000000 ] - [ -0.0002312100000000, 0.0000008800000000, 0.0007084500000000 ] - [ 0.0004798100000000, 0.0012522600000000, 0.0000969300000000 ] - [ 0.0003523200000000, -0.0000117800000000, 0.0011591300000000 ] - [ 0.0001147800000000, -0.0001988100000000, 0.0012587800000000 ] - [ -0.0000541100000000, -0.0000104300000000, 0.0002882500000000 ] - [ 0.0000360900000000, 0.0000416400000000, 0.0002882500000000 ] - [ 0.0008507600000000, -0.0014735600000000, 0.0000508300000000 ] - [ -0.0011817400000000, -0.0022470200000000, -0.0001466300000000 ] - [ -0.0001953300000000, 0.0000006700000000, 0.0007117400000000 ] - [ 0.0000970800000000, 0.0001694900000000, 0.0007117400000000 ] - [ -0.0022393400000000, 0.0038786600000000, -0.0040351500000000 ] - [ 0.0025368500000000, -0.0001000900000000, -0.0001466300000000 ] - [ 0.0005810900000000, -0.0000149300000000, -0.0000302400000000 ] - [ -0.0002776200000000, -0.0005107100000000, -0.0000302400000000 ] - [ -0.0002732700000000, 0.0004733100000000, 0.0001752200000000 ] - [ 0.0025239700000000, -0.0043716400000000, 0.0006625700000000 ] - [ 0.0000930100000000, -0.0010771300000000, 0.0008235500000000 ] - [ 0.0003632500000000, 0.0000127500000000, 0.0001420900000000 ] - [ 0.0001480000000000, -0.0000014700000000, -0.0000783600000000 ] - [ 0.0002749200000000, 0.0004584200000000, -0.0008074700000000 ] - [ 0.0004575400000000, 0.0004271200000000, -0.0002230900000000 ] - [ -0.0005986700000000, -0.0001826900000000, -0.0002230900000000 ] - [ -0.0004320200000000, -0.0008770900000000, -0.0005363200000000 ] - [ 0.0001611900000000, -0.0002791900000000, 0.0021190500000000 ] - [ 0.0000305600000000, -0.0000010200000000, -0.0003837800000000 ] - [ -0.0002859200000000, 0.0002258900000000, 0.0001133400000000 ] - [ 0.0003522500000000, 0.0001243600000000, 0.0000035100000000 ] - [ 0.0003509000000000, 0.0005330400000000, 0.0000595000000000 ] - [ 0.0000607800000000, -0.0001833300000000, -0.0006483100000000 ] - [ -0.0000544800000000, -0.0000832900000000, -0.0000162600000000 ] - [ -0.0001926300000000, 0.0000717900000000, -0.0006475200000000 ] - [ -0.0006370700000000, -0.0000373700000000, 0.0000595000000000 ] - [ 0.0008355900000000, -0.0006968700000000, 0.0008585900000000 ] - [ 0.0001897900000000, 0.0003285800000000, -0.0004662400000000 ] - [ 0.0003237200000000, 0.0001130400000000, 0.0001153000000000 ] - [ 0.0000366200000000, -0.0000634300000000, -0.0003807000000000 ] - [ 0.0005842300000000, -0.0000958900000000, -0.0001672300000000 ] - [ 0.0000503000000000, 0.0006177100000000, -0.0003871700000000 ] - [ -0.0000149900000000, 0.0000259600000000, -0.0007866800000000 ] - [ 0.0017774300000000, -0.0030786000000000, 0.0003547100000000 ] - [ 0.0000473200000000, -0.0000819600000000, -0.0091890200000000 ] - [ -0.0000647200000000, 0.0000029800000000, -0.0007430800000000 ] - [ -0.0000526700000000, 0.0003605600000000, 0.0001133400000000 ] - [ 0.0003270200000000, 0.0005740700000000, 0.0009115900000000 ] - [ 0.0010405200000000, 0.0005422300000000, 0.0004080500000000 ] - [ 0.0001857100000000, -0.0010720800000000, 0.0008585900000000 ] - [ -0.0001989100000000, -0.0000012600000000, -0.0004983400000000 ] - [ 0.0001283700000000, -0.0001443000000000, -0.0006483100000000 ] - [ -0.0004454300000000, -0.0000042900000000, -0.0006361400000000 ] - [ 0.0002264300000000, 0.0003836100000000, -0.0006361400000000 ] - [ -0.0005601000000000, 0.0002652900000000, -0.0003871700000000 ] - [ -0.0001926600000000, -0.0003082100000000, 0.0001420900000000 ] - [ 0.0003357900000000, 0.0004829400000000, 0.0000423700000000 ] - [ -0.0004734300000000, 0.0008200100000000, -0.0003054200000000 ] - [ -0.0001370300000000, -0.0002467500000000, -0.0002062700000000 ] - [ -0.0005344700000000, -0.0000088800000000, -0.0008074700000000 ] - [ 0.0006087100000000, -0.0010543200000000, -0.0019182400000000 ] - [ -0.0044947500000000, 0.0000481700000000, 0.0007043300000000 ] - [ 0.0001921900000000, -0.0003286400000000, -0.0004671600000000 ] - [ 0.0001842100000000, -0.0005315100000000, -0.0003909400000000 ] - [ 0.0008863200000000, -0.0006191100000000, 0.0008235500000000 ] - [ -0.0002825900000000, 0.0004894700000000, 0.0001126600000000 ] - [ -0.0003922900000000, 0.0006794600000000, -0.0001734600000000 ] - [ -0.0000727300000000, -0.0001289000000000, -0.0000783600000000 ] - [ -0.0002090700000000, -0.0005539000000000, -0.0001672300000000 ] - [ -0.0000064400000000, 0.0001638300000000, -0.0002080000000000 ] - [ 0.0009755900000000, -0.0000644000000000, -0.0005363200000000 ] - [ 0.0001318800000000, -0.0002284300000000, -0.0006504400000000 ] - [ 0.0001444600000000, -0.0000710800000000, -0.0002086200000000 ] - [ 0.0000297800000000, 0.0000575400000000, -0.0007430800000000 ] - [ -0.0000192300000000, 0.0000333100000000, -0.0011716200000000 ] - [ -0.0002838200000000, -0.0002428800000000, 0.0000035100000000 ] - [ 0.0000475700000000, -0.0000604000000000, -0.0003724900000000 ] - [ -0.0008453600000000, 0.0007335700000000, 0.0008324200000000 ] - [ 0.0007437400000000, 0.0009942000000000, -0.0019255100000000 ] - [ 0.0000285200000000, -0.0000714000000000, -0.0003724900000000 ] - [ 0.0001005500000000, 0.0001716300000000, -0.0004983400000000 ] - [ -0.0005861400000000, -0.0000493300000000, 0.0000423700000000 ] - [ 0.0000993800000000, 0.0000055400000000, -0.0000162600000000 ] - [ -0.0009898400000000, -0.0006300000000000, 0.0004080500000000 ] - [ -0.0006606700000000, 0.0000038200000000, 0.0009115900000000 ] - [ 0.0003051700000000, 0.0005939400000000, 0.0000553800000000 ] - [ 0.0021635800000000, 0.0039339200000000, -0.0002787700000000 ] - [ 0.0001885100000000, -0.0003307600000000, -0.0004671600000000 ] - [ 0.0000341400000000, 0.0002027200000000, -0.0006475200000000 ] - [ -0.0044886700000000, 0.0000932400000000, -0.0002787700000000 ] - [ 0.0003681900000000, -0.0004252900000000, -0.0003909400000000 ] - [ -0.0006669500000000, 0.0000326900000000, 0.0000553800000000 ] - [ -0.0000106800000000, -0.0001606500000000, -0.0002086200000000 ] - [ -0.0012328700000000, -0.0001470000000000, -0.0019255100000000 ] - [ -0.0001386600000000, 0.0000874900000000, -0.0002080000000000 ] - [ -0.0000144000000000, -0.0000269800000000, -0.0003837800000000 ] - [ 0.0000775100000000, -0.0001342500000000, -0.0007182100000000 ] - [ -0.0003794500000000, -0.0000000700000000, -0.0004662400000000 ] - [ 0.0022056600000000, 0.0039166500000000, 0.0007043300000000 ] - [ 0.0002822000000000, -0.0000047100000000, -0.0002062700000000 ] - [ -0.0002597600000000, -0.0002238300000000, 0.0001153000000000 ] - [ 0.0002239000000000, -0.0003878000000000, 0.0001426300000000 ] - [ -0.0002126100000000, 0.0010988900000000, 0.0008324200000000 ] - [ -0.0004321700000000, 0.0007485500000000, -0.0115141700000000 ] - [ -0.0003102900000000, -0.0000995500000000, -0.0001871000000000 ] - [ -0.0000094800000000, 0.0000164100000000, -0.0003001700000000 ] - [ -0.0002197000000000, 0.0000293500000000, -0.0001830200000000 ] - [ -0.0017996400000000, 0.0031170700000000, 0.0590243300000000 ] - [ 0.0000387600000000, 0.0000069400000000, -0.0002903600000000 ] - [ -0.0000316500000000, 0.0000120000000000, 0.0006549000000000 ] - [ 0.0000844300000000, 0.0002049400000000, -0.0001830200000000 ] - [ 0.0000238900000000, 0.0000420000000000, 0.0001420000000000 ] - [ -0.0000020200000000, -0.0000019400000000, -0.0005828400000000 ] - [ -0.0000483200000000, 0.0000003100000000, 0.0001420000000000 ] - [ 0.0000054300000000, 0.0000334000000000, 0.0006549000000000 ] - [ 0.0000026900000000, 0.0000007900000000, -0.0005828400000000 ] - [ 0.0001320000000000, -0.0002286300000000, -0.0001801000000000 ] - [ 0.0000501200000000, -0.0000868100000000, -0.0015722800000000 ] - [ 0.0002413500000000, 0.0002189400000000, -0.0001871000000000 ] - [ -0.0000253900000000, -0.0000301000000000, -0.0002903600000000 ] - [ 0.0000838300000000, -0.0001452000000000, -0.0001864800000000 ]- atom: 181 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000380200000000, 0.0001862200000000, 0.0001964000000000 ] - [ -0.0000398600000000, 0.0000827400000000, 0.0001593200000000 ] - [ -0.0000249100000000, 0.0000439600000000, 0.0001355700000000 ] - [ 0.0000063400000000, -0.0001156500000000, 0.0001217300000000 ] - [ -0.0003529600000000, 0.0000480400000000, 0.0004631500000000 ] - [ -0.0013317100000000, -0.0003597700000000, 0.0002511700000000 ] - [ 0.0000004200000000, -0.0007961900000000, -0.0001308300000000 ] - [ -0.0002194100000000, -0.0005101900000000, -0.0001078100000000 ] - [ -0.0001571000000000, 0.0001313900000000, 0.0000822600000000 ] - [ 0.0072055000000000, -0.0046374700000000, 0.0029432200000000 ] - [ -0.0000785100000000, 0.0001592100000000, 0.0001694400000000 ] - [ -0.0000699700000000, 0.0001929800000000, -0.0007203500000000 ] - [ -0.0000879900000000, 0.0000091900000000, -0.0004299600000000 ] - [ -0.0000766100000000, -0.0000819300000000, 0.0002828400000000 ] - [ 0.0005710900000000, -0.0001401600000000, -0.0001007300000000 ] - [ 0.0000206400000000, -0.0001012700000000, 0.0001331000000000 ] - [ 0.0000935000000000, -0.0000419300000000, 0.0001314900000000 ] - [ 0.0000990500000000, 0.0001352600000000, 0.0000919600000000 ] - [ 0.0003302200000000, 0.0001423700000000, 0.0004131200000000 ] - [ -0.0010015100000000, 0.0003074800000000, 0.0000315800000000 ] - [ 0.0133161600000000, -0.0008000900000000, -0.0045321300000000 ] - [ 0.0006026300000000, 0.0000876400000000, -0.0005490700000000 ] - [ 0.0000289200000000, -0.0002063000000000, 0.0002095200000000 ] - [ 0.0000847700000000, 0.0000072700000000, 0.0001465100000000 ] - [ -0.0000809000000000, 0.0001131200000000, 0.0004428600000000 ] - [ -0.0009594500000000, -0.0003065900000000, 0.0000260000000000 ] - [ 0.0001172400000000, -0.0001602200000000, -0.0002825700000000 ] - [ -0.0000644300000000, -0.0000016400000000, 0.0002409000000000 ] - [ 0.0001937600000000, 0.0001230800000000, 0.0002205900000000 ] - [ 0.0000169200000000, 0.0000542300000000, 0.0002448500000000 ] - [ -0.0000128300000000, 0.0007325700000000, -0.0001111300000000 ] - [ 0.0006264700000000, 0.0000934100000000, -0.0001498600000000 ] - [ 0.0000442200000000, -0.0000263600000000, 0.0002111500000000 ] - [ 0.0001042000000000, -0.0000506300000000, 0.0003654400000000 ] - [ -0.0004724700000000, 0.0000483400000000, -0.0001949100000000 ] - [ -0.0002022100000000, -0.0000793400000000, 0.0001703900000000 ] - [ -0.0011736600000000, 0.0004804500000000, 0.0002463000000000 ] - [ -0.0001813800000000, 0.0005294200000000, -0.0001116100000000 ] - [ 0.0051155600000000, 0.0023612300000000, 0.0015239600000000 ] - [ 0.0000040100000000, -0.0001417200000000, -0.0000105700000000 ] - [ -0.0000186100000000, 0.0007001900000000, -0.0004554000000000 ] - [ 0.0001729400000000, -0.0000949000000000, 0.0002170000000000 ] - [ 0.0043366300000000, 0.0008371600000000, 0.0006969200000000 ] - [ -0.0000584200000000, -0.0001064500000000, -0.0000918900000000 ] - [ 0.0000863600000000, 0.0000407100000000, 0.0001712900000000 ] - [ 0.0001085000000000, -0.0001251400000000, 0.0001846500000000 ] - [ 0.0030830700000000, 0.0014018500000000, -0.0012909600000000 ] - [ -0.0004464600000000, -0.0003637200000000, -0.0002172500000000 ] - [ -0.0000760100000000, -0.0000779900000000, 0.0001427400000000 ] - [ -0.0002680800000000, -0.0006321900000000, -0.0003683100000000 ] - [ -0.0000067700000000, 0.0000509200000000, 0.0001741400000000 ] - [ -0.0002037100000000, 0.0001104000000000, 0.0002210800000000 ] - [ -0.0000613900000000, 0.0000617300000000, 0.0000926400000000 ] - [ -0.0001255300000000, -0.0002636600000000, -0.0006659700000000 ] - [ -0.0000406700000000, -0.0000808100000000, 0.0001427200000000 ] - [ -0.0000384200000000, -0.0001802700000000, 0.0001698700000000 ] - [ 0.0000474300000000, 0.0001033800000000, -0.0001375600000000 ] - [ -0.0001904700000000, -0.0000638100000000, 0.0001962600000000 ] - [ 0.0001953800000000, -0.0001487200000000, 0.0005850800000000 ] - [ -0.0003725600000000, 0.0003953700000000, 0.0000358600000000 ] - [ 0.0007244400000000, -0.0002472200000000, 0.0021667700000000 ] - [ -0.0003509600000000, 0.0000109500000000, 0.0004023200000000 ] - [ 0.0001133700000000, 0.0000789100000000, 0.0000155900000000 ] - [ -0.0000200000000000, -0.0000445500000000, 0.0002869100000000 ] - [ -0.0001189900000000, 0.0000628400000000, -0.0001332800000000 ] - [ -0.0077965300000000, -0.0002589100000000, -0.0024672200000000 ] - [ 0.0001619800000000, 0.0004365900000000, -0.0011647900000000 ] - [ -0.0010640400000000, -0.0026195200000000, 0.0009393700000000 ] - [ -0.0007035200000000, -0.0000338300000000, 0.0009628600000000 ] - [ 0.0000727200000000, -0.0000920400000000, 0.0007975800000000 ] - [ 0.0016319300000000, -0.0045756700000000, 0.0001235300000000 ] - [ 0.0045075300000000, -0.0000056400000000, -0.0002745200000000 ] - [ -0.0008300900000000, 0.0000352200000000, -0.0001989200000000 ] - [ -0.0018143000000000, 0.0034561700000000, 0.0008800200000000 ] - [ -0.0014330700000000, 0.0032367700000000, 0.0012390000000000 ] - [ -0.0004108200000000, -0.0002622300000000, -0.0002605300000000 ] - [ -0.0001058700000000, 0.0000002400000000, 0.0002878900000000 ] - [ 0.0001277900000000, 0.0000483400000000, 0.0002968400000000 ] - [ -0.0070513300000000, -0.0002394300000000, -0.0018633400000000 ] - [ 0.0001148600000000, 0.0000866800000000, 0.0002479000000000 ] - [ 0.0001099200000000, 0.0001423100000000, -0.0001605300000000 ] - [ -0.0001611000000000, -0.0000030000000000, -0.0006129500000000 ] - [ 0.0001041100000000, -0.0007647800000000, -0.0000188800000000 ] - [ -0.0000042000000000, -0.0001593300000000, 0.0002175700000000 ] - [ -0.0000112800000000, -0.0000224300000000, -0.0001097200000000 ] - [ 0.0000244300000000, -0.0000000200000000, -0.0001402500000000 ] - [ -0.0000095300000000, 0.0000156700000000, 0.0001770200000000 ] - [ -0.0000902000000000, 0.0002233200000000, 0.0001087700000000 ] - [ 0.0002658700000000, 0.0000961100000000, 0.0003790300000000 ] - [ 0.0003454600000000, -0.0000177300000000, 0.0002219300000000 ] - [ -0.0000214600000000, -0.0000308300000000, 0.0004708900000000 ] - [ 0.0028291900000000, 0.0017570300000000, -0.0004174800000000 ] - [ 0.0007519700000000, 0.0031574200000000, -0.0015569800000000 ] - [ 0.0006158200000000, -0.0007748800000000, -0.0001274400000000 ] - [ -0.0000932000000000, -0.0015519600000000, -0.0000742000000000 ] - [ -0.0000091000000000, 0.0001342100000000, -0.0001867000000000 ] - [ 0.0001509900000000, 0.0000071700000000, 0.0002109800000000 ] - [ -0.0002384500000000, 0.0001895900000000, 0.0001795900000000 ] - [ 0.0004404900000000, 0.0000078900000000, 0.0003209800000000 ] - [ -0.0006708000000000, -0.0000060300000000, -0.0008485600000000 ] - [ 0.0009826100000000, -0.0048320900000000, -0.0018672200000000 ] - [ -0.0000829600000000, -0.0000799900000000, -0.0000996700000000 ] - [ 0.0100838300000000, 0.0004676600000000, 0.0031573200000000 ] - [ 0.0002875300000000, 0.0004114300000000, -0.0003056300000000 ] - [ -0.0001806500000000, 0.0002745400000000, 0.0003110300000000 ] - [ 0.0005316400000000, 0.0002825400000000, -0.0002072000000000 ] - [ 0.0002191200000000, 0.0001195600000000, 0.0001703100000000 ] - [ 0.0002205000000000, 0.0031033400000000, -0.0004503700000000 ] - [ 0.0001675900000000, 0.0004675600000000, -0.0010443400000000 ] - [ 0.0021625400000000, 0.0012245200000000, -0.0002793300000000 ] - [ 0.0000737300000000, 0.0000291600000000, 0.0002210400000000 ] - [ 0.0001655100000000, -0.0002089600000000, -0.0000630400000000 ] - [ -0.0000310700000000, 0.0000679600000000, -0.0000929400000000 ] - [ 0.0002763300000000, -0.0007165900000000, -0.0010265000000000 ] - [ -0.0000763400000000, 0.0003146100000000, 0.0001953800000000 ] - [ 0.0007080400000000, 0.0000280500000000, -0.0002611800000000 ] - [ -0.0002395000000000, -0.0000358900000000, -0.0002409700000000 ] - [ -0.0000849600000000, 0.0005360300000000, 0.0005525200000000 ] - [ 0.0002544000000000, -0.0001816700000000, -0.0000389400000000 ] - [ 0.0029013100000000, -0.0015600700000000, -0.0004060200000000 ] - [ 0.0000366000000000, 0.0001963800000000, 0.0000054500000000 ] - [ 0.0002458600000000, 0.0002801500000000, -0.0002068400000000 ] - [ 0.0076350800000000, -0.0004813800000000, 0.0038938400000000 ] - [ -0.0001955400000000, -0.0002834200000000, 0.0002219300000000 ] - [ 0.0000566500000000, -0.0000150000000000, -0.0003166000000000 ] - [ 0.0023532500000000, -0.0013385000000000, -0.0002392400000000 ] - [ 0.0000055000000000, -0.0000554700000000, 0.0003282900000000 ] - [ 0.0005916300000000, -0.0008122000000000, -0.0004018300000000 ] - [ -0.0001301200000000, 0.0002626800000000, 0.0002144800000000 ] - [ -0.0001939000000000, 0.0001807700000000, 0.0002213200000000 ] - [ -0.0012212100000000, 0.0001347300000000, 0.0008515800000000 ] - [ 0.0013790300000000, -0.0042899400000000, -0.0024614900000000 ] - [ -0.0001454200000000, -0.0001409400000000, 0.0004114900000000 ] - [ -0.0002811600000000, 0.0005009200000000, 0.0003124300000000 ] - [ 0.0015900400000000, 0.0000789800000000, 0.0020515800000000 ] - [ 0.0000310600000000, 0.0000009200000000, 0.0006758200000000 ] - [ 0.0005396000000000, -0.0007997100000000, -0.0013790200000000 ] - [ -0.0000407900000000, 0.0000074800000000, 0.0001137700000000 ] - [ 0.0004555800000000, 0.0006020600000000, -0.0003698300000000 ] - [ 0.0003790600000000, -0.0001425500000000, -0.0002081700000000 ] - [ 0.0002085200000000, 0.0000018500000000, 0.0002610600000000 ] - [ 0.0016978800000000, 0.0000577100000000, 0.0022481800000000 ] - [ -0.0000456700000000, 0.0000785400000000, -0.0007241700000000 ] - [ -0.0002423600000000, -0.0003829800000000, 0.0003167600000000 ] - [ -0.0012346200000000, 0.0007614800000000, -0.0003584800000000 ] - [ 0.0001915000000000, -0.0000334200000000, 0.0002571200000000 ] - [ -0.0000293600000000, -0.0003072700000000, 0.0001808800000000 ] - [ 0.0000643300000000, 0.0014726400000000, -0.0003416300000000 ] - [ -0.0011421700000000, -0.0001966600000000, 0.0005913500000000 ] - [ -0.0000362800000000, -0.0000320900000000, -0.0003016000000000 ] - [ 0.0001077500000000, 0.0000013600000000, -0.0000933200000000 ] - [ 0.0000884600000000, 0.0002483500000000, -0.0002334700000000 ] - [ -0.0000784900000000, -0.0004157000000000, 0.0012966900000000 ] - [ 0.0008160100000000, -0.0009572200000000, -0.0008322400000000 ] - [ 0.0007645600000000, 0.0010121000000000, -0.0008373600000000 ] - [ 0.0002755100000000, -0.0002785100000000, -0.0002240200000000 ] - [ -0.0001555200000000, -0.0016215200000000, -0.0001759300000000 ] - [ -0.0007967200000000, -0.0001524800000000, -0.0003391000000000 ] - [ -0.0001435700000000, 0.0012197300000000, -0.0001329700000000 ] - [ 0.0002347500000000, -0.0008641100000000, -0.0003232900000000 ] - [ -0.0000836500000000, -0.0001673200000000, 0.0000419700000000 ] - [ 0.0003209600000000, -0.0001033600000000, 0.0001969700000000 ] - [ 0.0000001300000000, 0.0000554300000000, 0.0003257800000000 ] - [ -0.0007926100000000, 0.0000201800000000, 0.0002131800000000 ] - [ -0.0001427100000000, 0.0013599700000000, -0.0000699700000000 ] - [ -0.0021926800000000, -0.0000478200000000, -0.0018976900000000 ] - [ -0.0000602400000000, 0.0001742800000000, 0.0002423600000000 ] - [ 0.0000084900000000, -0.0000143400000000, 0.0001251400000000 ] - [ -0.0002185800000000, -0.0001794300000000, 0.0001880600000000 ] - [ -0.0000121500000000, 0.0000562200000000, -0.0001378600000000 ] - [ -0.0000630600000000, -0.0002655000000000, 0.0001997800000000 ] - [ 0.0002469400000000, -0.0002439600000000, -0.0000078100000000 ] - [ -0.0000738100000000, -0.0000716800000000, 0.0001176400000000 ] - [ 0.0014866900000000, -0.0001071300000000, -0.0007273900000000 ] - [ -0.0002740800000000, -0.0001159900000000, 0.0002869200000000 ] - [ 0.0000747200000000, -0.0000352100000000, 0.0000202100000000 ] - [ -0.0000405400000000, 0.0008773400000000, 0.0004719300000000 ] - [ 0.0000555100000000, 0.0000124600000000, 0.0000219500000000 ] - [ 0.0000849800000000, 0.0003233000000000, 0.0002672600000000 ] - [ -0.0025268500000000, 0.0000656200000000, -0.0006557700000000 ] - [ -0.0472759900000000, 0.0054524800000000, -0.0036280700000000 ] - [ 0.0002390600000000, 0.0001557200000000, -0.0000220000000000 ] - [ -0.0001528700000000, 0.0000149000000000, -0.0000318500000000 ] - [ 0.0004569800000000, -0.0000227900000000, -0.0003636400000000 ] - [ 0.0002786500000000, -0.0002006800000000, -0.0000558300000000 ] - [ 0.0003196200000000, 0.0001093700000000, -0.0003557500000000 ] - [ 0.0001054900000000, -0.0000279600000000, 0.0001188800000000 ] - [ 0.0000419600000000, -0.0009352200000000, 0.0005209900000000 ] - [ -0.0000238700000000, 0.0001021100000000, 0.0000736900000000 ]- atom: 181 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000150000000000, 0.0002303100000000, 0.0002281700000000 ] - [ -0.0000767100000000, 0.0001486000000000, 0.0001848700000000 ] - [ -0.0000260800000000, 0.0000580100000000, 0.0001376100000000 ] - [ 0.0000096800000000, -0.0001601100000000, 0.0001339000000000 ] - [ 0.0001015200000000, 0.0003959100000000, -0.0009037400000000 ] - [ 0.0011100500000000, -0.0000213400000000, -0.0002609500000000 ] - [ 0.0004533200000000, 0.0007971900000000, 0.0001191500000000 ] - [ -0.0000392500000000, 0.0000626600000000, -0.0003261700000000 ] - [ 0.0000259700000000, 0.0001168000000000, 0.0000275700000000 ] - [ -0.0073377500000000, 0.0047929400000000, -0.0028171000000000 ] - [ 0.0000914400000000, 0.0001316200000000, 0.0000799900000000 ] - [ -0.0000646300000000, -0.0006273400000000, 0.0004736800000000 ] - [ -0.0001104300000000, -0.0004130700000000, -0.0001644900000000 ] - [ 0.0001050600000000, -0.0000765400000000, 0.0002148700000000 ] - [ -0.0001403500000000, 0.0000353800000000, -0.0001490100000000 ] - [ -0.0001423300000000, -0.0001088300000000, 0.0002129700000000 ] - [ 0.0001642600000000, 0.0000575400000000, 0.0002123500000000 ] - [ 0.0001455200000000, 0.0000204600000000, 0.0001571900000000 ] - [ -0.0003578100000000, 0.0001479400000000, -0.0002966500000000 ] - [ 0.0008073500000000, 0.0001246800000000, -0.0006232700000000 ] - [ -0.0137075000000000, 0.0008822200000000, 0.0049836700000000 ] - [ -0.0003410200000000, 0.0000327700000000, 0.0006686100000000 ] - [ 0.0000252100000000, -0.0002244700000000, 0.0002114500000000 ] - [ 0.0000278300000000, -0.0000003100000000, 0.0001263500000000 ] - [ 0.0003588700000000, -0.0001046500000000, 0.0001524900000000 ] - [ 0.0007081600000000, -0.0000722000000000, -0.0006172900000000 ] - [ -0.0002278900000000, 0.0003667500000000, -0.0000588500000000 ] - [ -0.0000881200000000, -0.0000528900000000, 0.0002569900000000 ] - [ 0.0001406600000000, 0.0001312800000000, 0.0002044700000000 ] - [ -0.0000019200000000, 0.0001051200000000, 0.0002499900000000 ] - [ 0.0007621000000000, -0.0007397300000000, 0.0001523400000000 ] - [ -0.0001180200000000, -0.0000895500000000, -0.0002863200000000 ] - [ 0.0000863100000000, 0.0001188600000000, 0.0002837000000000 ] - [ 0.0000265600000000, -0.0000569100000000, 0.0001292500000000 ] - [ 0.0009057000000000, 0.0000553100000000, -0.0000608600000000 ] - [ -0.0000453300000000, -0.0000453700000000, 0.0000849400000000 ] - [ 0.0007867400000000, 0.0001569800000000, -0.0002065100000000 ] - [ 0.0000530900000000, -0.0000994300000000, -0.0001403900000000 ] - [ -0.0054430600000000, -0.0028703900000000, -0.0014043200000000 ] - [ -0.0001366200000000, -0.0000884900000000, 0.0001279600000000 ] - [ 0.0004856200000000, -0.0006580800000000, -0.0001399100000000 ] - [ 0.0000609000000000, -0.0000870300000000, 0.0000334200000000 ] - [ -0.0044649900000000, -0.0010876300000000, -0.0011110600000000 ] - [ -0.0001630300000000, 0.0005029200000000, 0.0000805200000000 ] - [ -0.0001191100000000, -0.0003433400000000, -0.0000616500000000 ] - [ 0.0002284000000000, -0.0001249100000000, 0.0002368300000000 ] - [ -0.0033971700000000, -0.0009993700000000, 0.0006653900000000 ] - [ 0.0002014000000000, 0.0001873400000000, 0.0003292600000000 ] - [ -0.0001577200000000, 0.0002534000000000, -0.0000250500000000 ] - [ 0.0005018500000000, 0.0006440400000000, 0.0000284400000000 ] - [ -0.0001519500000000, 0.0000093100000000, 0.0003203900000000 ] - [ -0.0001817000000000, 0.0000564300000000, 0.0002002600000000 ] - [ -0.0002133400000000, 0.0000497500000000, 0.0001568300000000 ] - [ -0.0001787400000000, 0.0005801500000000, 0.0004124600000000 ] - [ -0.0000232800000000, -0.0000298900000000, 0.0001239000000000 ] - [ 0.0003068900000000, 0.0000645500000000, -0.0000523200000000 ] - [ -0.0002707800000000, -0.0004887500000000, 0.0001299300000000 ] - [ -0.0002097200000000, -0.0001037700000000, 0.0002249700000000 ] - [ -0.0003320200000000, -0.0000894200000000, 0.0000056500000000 ] - [ 0.0002407200000000, -0.0001542200000000, 0.0005624200000000 ] - [ -0.0000934000000000, 0.0001945100000000, -0.0028756300000000 ] - [ 0.0000385100000000, -0.0003502700000000, -0.0006478400000000 ] - [ 0.0001669000000000, -0.0000666700000000, 0.0000944200000000 ] - [ 0.0000716800000000, -0.0000486900000000, 0.0003075700000000 ] - [ 0.0000471800000000, 0.0000508300000000, 0.0003668500000000 ] - [ 0.0077799800000000, 0.0002533500000000, 0.0026191600000000 ] - [ -0.0001652700000000, -0.0004348700000000, 0.0001637100000000 ] - [ 0.0013503300000000, 0.0031152100000000, -0.0010467800000000 ] - [ 0.0007080400000000, 0.0000341800000000, -0.0019519300000000 ] - [ -0.0000734300000000, 0.0000918100000000, 0.0001120800000000 ] - [ -0.0016630500000000, 0.0045863900000000, -0.0007938600000000 ] - [ -0.0042705800000000, 0.0004225300000000, -0.0001670200000000 ] - [ 0.0003600100000000, -0.0000308200000000, -0.0002737500000000 ] - [ 0.0012537700000000, -0.0034682900000000, -0.0009885300000000 ] - [ 0.0014164600000000, -0.0032138100000000, -0.0010697200000000 ] - [ 0.0006415000000000, -0.0001488400000000, -0.0002122200000000 ] - [ -0.0000012800000000, -0.0000007100000000, 0.0003057200000000 ] - [ -0.0000701500000000, 0.0000502800000000, 0.0003032400000000 ] - [ 0.0073559800000000, -0.0002493400000000, 0.0017605600000000 ] - [ 0.0000188500000000, -0.0000895700000000, -0.0000171400000000 ] - [ -0.0000956200000000, -0.0001509900000000, -0.0004184200000000 ] - [ 0.0001478300000000, 0.0000117600000000, 0.0000313500000000 ] - [ -0.0001082100000000, 0.0007622400000000, 0.0007056000000000 ] - [ -0.0000636800000000, 0.0000412900000000, 0.0000158200000000 ] - [ 0.0000094300000000, 0.0000183500000000, -0.0001303100000000 ] - [ -0.0000274300000000, -0.0000032700000000, -0.0001002800000000 ] - [ 0.0000114900000000, -0.0000119000000000, 0.0001513300000000 ] - [ 0.0002058500000000, -0.0004188800000000, 0.0001555400000000 ] - [ 0.0001663000000000, 0.0000826700000000, 0.0001854600000000 ] - [ 0.0002901700000000, 0.0000127100000000, 0.0001879200000000 ] - [ 0.0000204000000000, 0.0000293300000000, 0.0005642900000000 ] - [ -0.0026153100000000, -0.0014702800000000, -0.0002338700000000 ] - [ -0.0006076200000000, -0.0028896900000000, 0.0014547300000000 ] - [ -0.0009246800000000, 0.0007830000000000, 0.0000239800000000 ] - [ 0.0003582100000000, 0.0017047300000000, -0.0004331000000000 ] - [ 0.0000079500000000, -0.0001362900000000, -0.0005992800000000 ] - [ -0.0000658300000000, -0.0000129700000000, 0.0002338800000000 ] - [ -0.0002649900000000, 0.0002048200000000, 0.0001790600000000 ] - [ 0.0006653600000000, -0.0000028100000000, 0.0004657500000000 ] - [ -0.0009956600000000, -0.0000474800000000, -0.0001037100000000 ] - [ -0.0007651700000000, 0.0045544200000000, 0.0012139400000000 ] - [ -0.0000110400000000, -0.0000817500000000, -0.0001054100000000 ] - [ -0.0102793300000000, -0.0004241000000000, -0.0037577400000000 ] - [ 0.0005812900000000, 0.0009939500000000, -0.0006448100000000 ] - [ -0.0000453900000000, -0.0002732200000000, -0.0000476300000000 ] - [ -0.0002553000000000, 0.0001621400000000, -0.0000309400000000 ] - [ 0.0003479600000000, 0.0001199000000000, 0.0001882800000000 ] - [ -0.0003364500000000, -0.0029104400000000, 0.0004588700000000 ] - [ -0.0003012400000000, -0.0006977800000000, 0.0006794600000000 ] - [ -0.0021718300000000, -0.0009245000000000, -0.0002294000000000 ] - [ -0.0001202000000000, 0.0000434200000000, 0.0002237700000000 ] - [ 0.0000649700000000, -0.0001816800000000, -0.0002562900000000 ] - [ -0.0000639900000000, 0.0000814900000000, -0.0001110600000000 ] - [ -0.0002731000000000, 0.0007155800000000, 0.0009929200000000 ] - [ -0.0000011100000000, 0.0002972200000000, 0.0001637000000000 ] - [ -0.0007110900000000, -0.0000321300000000, 0.0018855300000000 ] - [ -0.0002136300000000, 0.0000391700000000, -0.0000771200000000 ] - [ 0.0002014100000000, -0.0003363400000000, -0.0002872300000000 ] - [ -0.0004627300000000, 0.0001706200000000, -0.0002851700000000 ] - [ -0.0027498300000000, 0.0012479700000000, -0.0002422200000000 ] - [ -0.0005604100000000, -0.0001839100000000, -0.0002426200000000 ] - [ 0.0000038400000000, 0.0001841300000000, -0.0000334200000000 ] - [ -0.0079746700000000, 0.0006519200000000, -0.0044591300000000 ] - [ -0.0001246900000000, -0.0002700700000000, 0.0001895900000000 ] - [ 0.0000716600000000, 0.0000208000000000, -0.0001903100000000 ] - [ -0.0022055500000000, 0.0010880100000000, 0.0001383200000000 ] - [ -0.0000859700000000, -0.0000923900000000, -0.0000189900000000 ] - [ -0.0009087500000000, 0.0007739900000000, -0.0002452300000000 ] - [ -0.0001916000000000, 0.0002850800000000, 0.0001953200000000 ] - [ -0.0001814700000000, 0.0001004100000000, 0.0003453300000000 ] - [ 0.0014736700000000, -0.0006199100000000, -0.0011043200000000 ] - [ -0.0011210600000000, 0.0041373000000000, 0.0019454100000000 ] - [ -0.0002086300000000, -0.0001347900000000, 0.0001526400000000 ] - [ -0.0002674400000000, 0.0004593700000000, 0.0004743500000000 ] - [ -0.0017305600000000, 0.0001590700000000, -0.0024327000000000 ] - [ -0.0000321400000000, -0.0000023600000000, 0.0003607800000000 ] - [ -0.0002694300000000, 0.0008078500000000, 0.0010169100000000 ] - [ -0.0000468100000000, 0.0001479900000000, 0.0001907200000000 ] - [ -0.0007224700000000, -0.0007563400000000, -0.0001392000000000 ] - [ -0.0002805900000000, -0.0000409300000000, -0.0001161500000000 ] - [ -0.0000306500000000, 0.0000003900000000, 0.0000452700000000 ] - [ -0.0016854100000000, -0.0000543500000000, -0.0022574800000000 ] - [ 0.0000478900000000, -0.0000749000000000, -0.0001579800000000 ] - [ -0.0003080300000000, -0.0005702100000000, 0.0004696300000000 ] - [ 0.0014888200000000, -0.0007533800000000, 0.0003629400000000 ] - [ 0.0002384500000000, -0.0001505800000000, 0.0003099900000000 ] - [ -0.0000483400000000, -0.0003169200000000, 0.0001779100000000 ] - [ -0.0001773000000000, -0.0016786700000000, 0.0003450000000000 ] - [ 0.0012386100000000, 0.0003684300000000, -0.0009233200000000 ] - [ -0.0000233600000000, -0.0000704200000000, -0.0002067100000000 ] - [ 0.0000688400000000, -0.0000091500000000, -0.0001105700000000 ] - [ 0.0001376700000000, 0.0001450100000000, -0.0000860000000000 ] - [ 0.0000781700000000, 0.0004099400000000, 0.0003368200000000 ] - [ 0.0000487900000000, -0.0004589000000000, -0.0001210200000000 ] - [ 0.0000179600000000, 0.0004442500000000, -0.0001154600000000 ] - [ -0.0000026500000000, -0.0001757000000000, -0.0000157100000000 ] - [ 0.0002938900000000, 0.0019243300000000, -0.0004761500000000 ] - [ -0.0008590000000000, 0.0001947800000000, -0.0006108900000000 ] - [ 0.0001406200000000, -0.0015247300000000, -0.0003748000000000 ] - [ 0.0005512900000000, -0.0006036800000000, -0.0006260900000000 ] - [ -0.0000036500000000, 0.0000255700000000, 0.0002665800000000 ] - [ 0.0002723300000000, -0.0001348100000000, 0.0001620100000000 ] - [ -0.0000848100000000, 0.0000798600000000, -0.0000146100000000 ] - [ 0.0007474000000000, -0.0001002300000000, 0.0002242200000000 ] - [ 0.0001456600000000, -0.0013670100000000, -0.0000181200000000 ] - [ 0.0016503100000000, 0.0000275000000000, 0.0016479700000000 ] - [ -0.0000018800000000, 0.0002872100000000, 0.0003238700000000 ] - [ 0.0001498400000000, 0.0000090400000000, 0.0001848700000000 ] - [ -0.0002831800000000, -0.0002006300000000, 0.0001709500000000 ] - [ -0.0000467300000000, 0.0000582200000000, -0.0003702300000000 ] - [ 0.0000008800000000, -0.0001796400000000, 0.0003644400000000 ] - [ -0.0002056200000000, 0.0001610900000000, -0.0000375700000000 ] - [ -0.0000420500000000, -0.0001278500000000, 0.0000578500000000 ] - [ -0.0014923800000000, 0.0000881700000000, 0.0008952100000000 ] - [ -0.0001903200000000, 0.0001219100000000, 0.0000464300000000 ] - [ -0.0000492300000000, -0.0000101700000000, 0.0000350000000000 ] - [ 0.0000347900000000, -0.0008802000000000, -0.0003120700000000 ] - [ -0.0001081600000000, -0.0000141700000000, 0.0000330500000000 ] - [ 0.0001492100000000, 0.0000845400000000, 0.0000648700000000 ] - [ 0.0025617500000000, 0.0000030600000000, 0.0006485700000000 ] - [ 0.0478493000000000, -0.0053965200000000, 0.0024158300000000 ] - [ -0.0003339800000000, -0.0001643700000000, -0.0000234200000000 ] - [ 0.0001769200000000, 0.0000280200000000, 0.0000895600000000 ] - [ -0.0004676500000000, 0.0000259900000000, -0.0003516800000000 ] - [ -0.0000401700000000, -0.0001973000000000, 0.0003905000000000 ] - [ -0.0003072300000000, -0.0001112800000000, -0.0003593700000000 ] - [ 0.0001313800000000, 0.0000300100000000, 0.0000552300000000 ] - [ -0.0000619300000000, 0.0009222400000000, -0.0003593000000000 ] - [ -0.0000920100000000, 0.0001043800000000, 0.0001013800000000 ]- atom: 181 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000188900000000, 0.0001599200000000, -0.0001644200000000 ] - [ -0.0000264200000000, 0.0000456800000000, -0.0001610100000000 ] - [ 0.0000118200000000, 0.0000537400000000, -0.0002502600000000 ] - [ 0.0000250200000000, -0.0001015000000000, -0.0001892600000000 ] - [ 0.0005891800000000, 0.0006877100000000, -0.0004378000000000 ] - [ 0.0000158300000000, -0.0001425800000000, 0.0006739400000000 ] - [ 0.0001416000000000, -0.0000670400000000, 0.0006148400000000 ] - [ -0.0001534000000000, -0.0002656900000000, -0.0001909800000000 ] - [ 0.0000027100000000, 0.0000668800000000, -0.0002206300000000 ] - [ 0.0026714500000000, -0.0037152600000000, 0.0064407600000000 ] - [ 0.0000313400000000, 0.0001123000000000, -0.0001943400000000 ] - [ -0.0007861800000000, 0.0000872700000000, -0.0003228000000000 ] - [ -0.0000730700000000, -0.0001829300000000, 0.0002698900000000 ] - [ 0.0000897100000000, -0.0000283400000000, -0.0000310700000000 ] - [ 0.0002593900000000, -0.0007465700000000, -0.0002815400000000 ] - [ -0.0000923400000000, -0.0001599300000000, -0.0003513400000000 ] - [ 0.0000527700000000, -0.0000000400000000, -0.0001610100000000 ] - [ 0.0000815800000000, 0.0000833000000000, -0.0001943400000000 ] - [ 0.0004673800000000, -0.0006716300000000, -0.0010338500000000 ] - [ -0.0000367500000000, 0.0002105800000000, 0.0002741200000000 ] - [ -0.0045532300000000, 0.0004559100000000, 0.0064407600000000 ] - [ -0.0008153300000000, 0.0000689500000000, -0.0010338500000000 ] - [ 0.0000726400000000, -0.0001967200000000, -0.0001700600000000 ] - [ 0.0000406300000000, 0.0000371100000000, -0.0002502600000000 ] - [ 0.0002518200000000, -0.0000170000000000, 0.0001360400000000 ] - [ -0.0001218900000000, -0.0001547500000000, 0.0002698900000000 ] - [ -0.0001402100000000, 0.0000622900000000, 0.0003252200000000 ] - [ -0.0000694000000000, 0.0000635200000000, -0.0000310700000000 ] - [ 0.0001290500000000, 0.0000963200000000, -0.0001644200000000 ] - [ 0.0000290400000000, 0.0000143000000000, -0.0000193200000000 ] - [ 0.0002976600000000, 0.0000317300000000, 0.0006468200000000 ] - [ 0.0003009800000000, 0.0008541000000000, -0.0004378000000000 ] - [ -0.0000021400000000, 0.0000323000000000, -0.0000193200000000 ] - [ 0.0004234000000000, -0.0000759500000000, -0.0004361600000000 ] - [ 0.0003034600000000, 0.0000510400000000, -0.0001512600000000 ] - [ -0.0001004100000000, -0.0000290900000000, -0.0001892600000000 ] - [ -0.0001213500000000, 0.0002736500000000, 0.0006468200000000 ] - [ -0.0001075300000000, 0.0002883200000000, -0.0001512600000000 ] - [ 0.0013469800000000, 0.0023330400000000, 0.0058306800000000 ] - [ -0.0002530900000000, -0.0004383600000000, -0.0005966300000000 ] - [ 0.0002007400000000, 0.0000734600000000, 0.0002741200000000 ] - [ 0.0002140400000000, -0.0000840000000000, -0.0003972900000000 ] - [ 0.0008670400000000, 0.0015017600000000, 0.0063947300000000 ] - [ -0.0001288600000000, 0.0000891100000000, 0.0006148400000000 ] - [ -0.0000537700000000, -0.0002657800000000, -0.0001035400000000 ] - [ 0.0001301200000000, -0.0001246000000000, -0.0001451700000000 ] - [ -0.0013689200000000, 0.0026586000000000, 0.0019487400000000 ] - [ -0.0002032900000000, -0.0001794600000000, -0.0001035400000000 ] - [ -0.0001358900000000, 0.0001542200000000, -0.0000671400000000 ] - [ 0.0001240500000000, -0.0000902800000000, 0.0003252200000000 ] - [ -0.0002774700000000, 0.0003287000000000, -0.0004361600000000 ] - [ -0.0001729700000000, 0.0000503900000000, -0.0001451700000000 ] - [ -0.0001797600000000, 0.0001433600000000, -0.0003972900000000 ] - [ -0.0007762400000000, -0.0001486400000000, -0.0002815400000000 ] - [ -0.0000261000000000, -0.0000452100000000, -0.0002232600000000 ] - [ 0.0002015000000000, -0.0000405700000000, -0.0000671400000000 ] - [ -0.0001313900000000, -0.0000575800000000, 0.0006739400000000 ] - [ -0.0002066800000000, -0.0000354500000000, -0.0001700600000000 ] - [ 0.0004178700000000, 0.0007237700000000, -0.0007327100000000 ] - [ -0.0001406300000000, 0.0002095900000000, 0.0001360400000000 ] - [ 0.0029868800000000, 0.0001437800000000, 0.0019487400000000 ] - [ 0.0004686700000000, -0.0006372100000000, -0.0003228000000000 ] - [ 0.0000565700000000, 0.0000357800000000, -0.0002206300000000 ] - [ 0.0000301200000000, -0.0000507100000000, -0.0006487200000000 ] - [ -0.0003459400000000, 0.0000731400000000, -0.0009289200000000 ] - [ -0.0022930600000000, -0.0000710600000000, 0.0005294900000000 ] - [ -0.0005792500000000, 0.0010947700000000, -0.0006668800000000 ] - [ 0.0014901500000000, 0.0025810200000000, 0.0001154000000000 ] - [ 0.0012377200000000, 0.0000457400000000, -0.0006668800000000 ] - [ 0.0001777400000000, 0.0003078600000000, -0.0004966600000000 ] - [ 0.0011524000000000, 0.0019960200000000, 0.0039570600000000 ] - [ -0.0005122700000000, -0.0008872800000000, -0.0060295100000000 ] - [ -0.0002545000000000, 0.0000616100000000, -0.0004647200000000 ] - [ 0.0014690700000000, -0.0030734800000000, 0.0001049400000000 ] - [ 0.0010849800000000, -0.0020213800000000, 0.0005294900000000 ] - [ 0.0001806100000000, -0.0001896000000000, -0.0004647200000000 ] - [ -0.0000589800000000, 0.0000007300000000, -0.0006487200000000 ] - [ 0.0000291500000000, 0.0000504900000000, -0.0010904600000000 ] - [ -0.0033962500000000, -0.0002644900000000, 0.0001049400000000 ] - [ 0.0002363100000000, -0.0002630300000000, -0.0009289200000000 ] - [ 0.0002026400000000, -0.0003926700000000, -0.0013536100000000 ] - [ -0.0004413800000000, -0.0000208400000000, -0.0013536100000000 ] - [ -0.0009382200000000, -0.0016250400000000, -0.0005933000000000 ] - [ 0.0001061100000000, 0.0001837900000000, -0.0009017900000000 ] - [ 0.0000051100000000, -0.0000152300000000, 0.0001914000000000 ] - [ -0.0000157400000000, -0.0000031900000000, 0.0001914000000000 ] - [ 0.0000012300000000, 0.0000021200000000, 0.0004855100000000 ] - [ 0.0001116500000000, 0.0003964700000000, 0.0001887800000000 ] - [ 0.0002498600000000, 0.0000363200000000, 0.0005984200000000 ] - [ 0.0004217100000000, -0.0000056800000000, 0.0005423300000000 ] - [ -0.0000308000000000, 0.0000611200000000, 0.0012549600000000 ] - [ 0.0009851200000000, 0.0008660700000000, -0.0008727300000000 ] - [ -0.0013798600000000, -0.0023899900000000, -0.0001922200000000 ] - [ -0.0015546600000000, 0.0006789700000000, -0.0006696200000000 ] - [ 0.0002477200000000, 0.0015092800000000, -0.0007742500000000 ] - [ 0.0001893600000000, 0.0003279800000000, 0.0003526000000000 ] - [ 0.0000434500000000, -0.0000136600000000, 0.0004337700000000 ] - [ -0.0002990500000000, 0.0002958300000000, 0.0005202100000000 ] - [ 0.0005615100000000, -0.0001331100000000, 0.0007484300000000 ] - [ -0.0017829400000000, -0.0000446800000000, -0.0001953700000000 ] - [ -0.0013358400000000, 0.0026350800000000, -0.0012979400000000 ] - [ -0.0000496800000000, -0.0000860400000000, 0.0008218000000000 ] - [ 0.0029499700000000, 0.0001606700000000, -0.0012979400000000 ] - [ 0.0003643500000000, 0.0003024500000000, -0.0003217900000000 ] - [ 0.0002875300000000, 0.0002949200000000, 0.0001887800000000 ] - [ 0.0000528700000000, 0.0001397500000000, -0.0001134400000000 ] - [ 0.0004156300000000, 0.0001141300000000, 0.0006927100000000 ] - [ -0.0006720900000000, -0.0014997700000000, -0.0011594700000000 ] - [ -0.0003702600000000, -0.0006413100000000, -0.0002692700000000 ] - [ 0.0011832100000000, 0.0009691700000000, -0.0007742500000000 ] - [ -0.0000335500000000, 0.0000308000000000, 0.0004337700000000 ] - [ 0.0001466600000000, -0.0001538600000000, 0.0001542000000000 ] - [ -0.0000484600000000, 0.0000774900000000, 0.0005374200000000 ] - [ -0.0002331400000000, 0.0004439900000000, -0.0005760700000000 ] - [ -0.0001089800000000, 0.0004170100000000, 0.0006927100000000 ] - [ -0.0005533900000000, -0.0000277600000000, 0.0008237700000000 ] - [ -0.0002065800000000, 0.0000500800000000, 0.0001542000000000 ] - [ 0.0007948300000000, 0.0013766800000000, 0.0009933700000000 ] - [ -0.0000125300000000, -0.0000403100000000, -0.0001539200000000 ] - [ 0.0009848000000000, -0.0008215000000000, -0.0008790200000000 ] - [ -0.0002158500000000, 0.0000300200000000, -0.0001363000000000 ] - [ 0.0000945900000000, 0.0001156600000000, -0.0001134400000000 ] - [ 0.0044300600000000, -0.0001363500000000, 0.0000601200000000 ] - [ -0.0002202500000000, -0.0003814800000000, 0.0007091100000000 ] - [ 0.0000351700000000, 0.0000473200000000, 0.0004615300000000 ] - [ 0.0013653300000000, -0.0010068900000000, -0.0006696200000000 ] - [ 0.0002693600000000, 0.0000544200000000, 0.0005727500000000 ] - [ -0.0012038400000000, 0.0004421100000000, -0.0008790200000000 ] - [ -0.0002157800000000, 0.0003623700000000, 0.0005423300000000 ] - [ -0.0001548600000000, 0.0001035500000000, 0.0005857100000000 ] - [ 0.0004939400000000, -0.0003584000000000, 0.0026197300000000 ] - [ -0.0023331200000000, 0.0037683700000000, 0.0000601200000000 ] - [ 0.0001491600000000, -0.0001501600000000, 0.0007386500000000 ] - [ -0.0003960300000000, 0.0004197300000000, 0.0007484300000000 ] - [ 0.0007397900000000, 0.0001143800000000, 0.0000531800000000 ] - [ 0.0000683300000000, 0.0000038800000000, 0.0012549600000000 ] - [ -0.0002708400000000, 0.0006978700000000, 0.0000531800000000 ] - [ -0.0000770600000000, 0.0001480200000000, 0.0003984400000000 ] - [ -0.0011401100000000, -0.0005598400000000, -0.0007010000000000 ] - [ -0.0000286500000000, -0.0000310100000000, -0.0001539200000000 ] - [ 0.0001667100000000, 0.0000072700000000, 0.0003984400000000 ] - [ 0.0005010800000000, 0.0000200900000000, -0.0005760700000000 ] - [ -0.0001375400000000, -0.0002382300000000, 0.0001412600000000 ] - [ -0.0004123200000000, -0.0007141600000000, 0.0007638300000000 ] - [ -0.0009628000000000, -0.0013319300000000, -0.0011594700000000 ] - [ 0.0001671100000000, -0.0000823400000000, 0.0005857100000000 ] - [ -0.0000961900000000, -0.0004068500000000, 0.0005220600000000 ] - [ -0.0003602500000000, -0.0006239600000000, -0.0007668000000000 ] - [ 0.0004799000000000, 0.0008312100000000, 0.0015920500000000 ] - [ -0.0000528300000000, -0.0000915100000000, 0.0004467100000000 ] - [ 0.0000913300000000, -0.0000032200000000, 0.0005374200000000 ] - [ -0.0000474100000000, -0.0000821200000000, 0.0002848900000000 ] - [ 0.0002526500000000, -0.0004931300000000, 0.0008237700000000 ] - [ 0.0001109900000000, -0.0004776700000000, -0.0003235800000000 ] - [ 0.0000797500000000, 0.0004667600000000, -0.0003217900000000 ] - [ 0.0001339200000000, -0.0001719200000000, -0.0001363000000000 ] - [ 0.0002574800000000, 0.0012861700000000, -0.0008727300000000 ] - [ -0.0004691700000000, -0.0001427200000000, -0.0003235800000000 ] - [ 0.0000852200000000, -0.0012672800000000, -0.0007010000000000 ] - [ 0.0008527800000000, -0.0015664100000000, -0.0001953700000000 ] - [ -0.0000875500000000, 0.0002604800000000, 0.0005727500000000 ] - [ 0.0004057200000000, -0.0001110700000000, 0.0005202100000000 ] - [ 0.0002578400000000, -0.0000357500000000, 0.0005631700000000 ] - [ 0.0000542600000000, 0.0000939800000000, 0.0026936800000000 ] - [ 0.0001688500000000, 0.0002924600000000, -0.0025814800000000 ] - [ -0.0005573500000000, 0.0002485600000000, 0.0026197300000000 ] - [ -0.0000934700000000, 0.0002345500000000, 0.0005984200000000 ] - [ -0.0001598800000000, 0.0002054200000000, 0.0005631700000000 ] - [ -0.0003042500000000, -0.0002867300000000, 0.0005220600000000 ] - [ 0.0000233900000000, 0.0000541200000000, 0.0004615300000000 ] - [ -0.0002046200000000, 0.0000541000000000, 0.0007386500000000 ] - [ 0.0000514100000000, -0.0000532200000000, -0.0001680500000000 ] - [ -0.0000335200000000, -0.0000580500000000, 0.0004607400000000 ] - [ -0.0008130600000000, 0.0000360300000000, -0.0002629900000000 ] - [ -0.0000254300000000, -0.0003364900000000, 0.0004553300000000 ] - [ 0.0000172000000000, -0.0000201200000000, 0.0002434900000000 ] - [ 0.0004016400000000, 0.0006956600000000, -0.0002690200000000 ] - [ -0.0000260300000000, 0.0000048400000000, 0.0002434900000000 ] - [ 0.0002675000000000, 0.0004633200000000, 0.0003986900000000 ] - [ -0.0005323200000000, -0.0009220000000000, 0.0092160300000000 ] - [ -0.0029572900000000, -0.0051221700000000, -0.0375566500000000 ] - [ -0.0000717900000000, 0.0000179200000000, -0.0001680500000000 ] - [ 0.0000308100000000, 0.0000533600000000, 0.0012307200000000 ] - [ 0.0000052600000000, 0.0000080500000000, -0.0009733600000000 ] - [ -0.0002786900000000, -0.0001902600000000, 0.0004553300000000 ] - [ 0.0000043400000000, 0.0000085800000000, -0.0009733600000000 ] - [ 0.0001566300000000, -0.0000486000000000, 0.0004699100000000 ] - [ 0.0004377300000000, -0.0006861100000000, -0.0002629900000000 ] - [ -0.0001204000000000, 0.0001113400000000, 0.0004699100000000 ]- atom: 181 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000350800000000, 0.0002564600000000, 0.0005880000000000 ] - [ -0.0000897000000000, 0.0001863700000000, 0.0005066100000000 ] - [ -0.0000627900000000, 0.0000502300000000, 0.0005245500000000 ] - [ -0.0000072600000000, -0.0001741300000000, 0.0004470900000000 ] - [ -0.0008308100000000, -0.0002439700000000, 0.0000004100000000 ] - [ -0.0002358500000000, -0.0002427700000000, -0.0006809800000000 ] - [ 0.0003103300000000, 0.0000731600000000, -0.0006262200000000 ] - [ -0.0001032700000000, -0.0001788700000000, -0.0002424900000000 ] - [ -0.0001306200000000, 0.0001781000000000, 0.0003328300000000 ] - [ -0.0027969600000000, 0.0039509600000000, -0.0064109400000000 ] - [ -0.0000158000000000, 0.0001770200000000, 0.0004462500000000 ] - [ 0.0006425500000000, -0.0005217600000000, 0.0000780500000000 ] - [ -0.0001272200000000, -0.0002258100000000, -0.0008657400000000 ] - [ -0.0000584500000000, -0.0001310800000000, 0.0005291800000000 ] - [ 0.0001710200000000, 0.0006349900000000, 0.0000285000000000 ] - [ -0.0000288800000000, -0.0000500200000000, 0.0007021100000000 ] - [ 0.0002062500000000, 0.0000155000000000, 0.0005066100000000 ] - [ 0.0001612000000000, 0.0000748300000000, 0.0004462500000000 ] - [ -0.0005012700000000, 0.0009687500000000, 0.0011605700000000 ] - [ -0.0001589200000000, 0.0002205800000000, -0.0008710100000000 ] - [ 0.0048201100000000, -0.0004467600000000, -0.0064109400000000 ] - [ 0.0010896000000000, 0.0000502600000000, 0.0011605700000000 ] - [ -0.0000155400000000, -0.0002342200000000, 0.0005896600000000 ] - [ 0.0000748900000000, -0.0000292600000000, 0.0005245500000000 ] - [ 0.0000232100000000, 0.0000245800000000, 0.0004618300000000 ] - [ -0.0001319500000000, -0.0002230800000000, -0.0008657400000000 ] - [ 0.0000291900000000, 0.0001456200000000, -0.0006672400000000 ] - [ -0.0000842900000000, -0.0001161600000000, 0.0005291800000000 ] - [ 0.0002045600000000, 0.0001586100000000, 0.0005880000000000 ] - [ -0.0000120600000000, 0.0001459400000000, 0.0005134700000000 ] - [ 0.0004512300000000, -0.0000443400000000, -0.0006062700000000 ] - [ 0.0002041200000000, -0.0008414900000000, 0.0000004100000000 ] - [ 0.0001324200000000, 0.0000625200000000, 0.0005134700000000 ] - [ -0.0002881600000000, -0.0000336500000000, 0.0009265100000000 ] - [ 0.0001326100000000, 0.0000522000000000, -0.0001018700000000 ] - [ -0.0001471700000000, -0.0000933600000000, 0.0004470900000000 ] - [ -0.0002640200000000, 0.0003686100000000, -0.0006062700000000 ] - [ -0.0000211000000000, 0.0001409400000000, -0.0001018700000000 ] - [ -0.0016424000000000, -0.0028447200000000, -0.0057458600000000 ] - [ 0.0001197000000000, 0.0002073300000000, 0.0007120700000000 ] - [ 0.0002704900000000, -0.0000273400000000, -0.0008710100000000 ] - [ 0.0000157300000000, -0.0000993000000000, 0.0006509900000000 ] - [ -0.0011333800000000, -0.0019630700000000, -0.0070246100000000 ] - [ -0.0000918000000000, 0.0003053300000000, -0.0006262200000000 ] - [ 0.0000219700000000, -0.0000331000000000, 0.0002167000000000 ] - [ 0.0002059500000000, -0.0001266600000000, 0.0005655000000000 ] - [ 0.0010384200000000, -0.0022002500000000, -0.0026361500000000 ] - [ -0.0000396500000000, 0.0000024800000000, 0.0002167000000000 ] - [ -0.0000949800000000, 0.0000180400000000, 0.0001885700000000 ] - [ 0.0001115100000000, 0.0000980800000000, -0.0006672400000000 ] - [ 0.0001149400000000, -0.0002663800000000, 0.0009265100000000 ] - [ -0.0002126600000000, 0.0001150300000000, 0.0005655000000000 ] - [ -0.0000938600000000, -0.0000360300000000, 0.0006509900000000 ] - [ 0.0004644100000000, 0.0004656000000000, 0.0000285000000000 ] - [ -0.0000381800000000, -0.0000661300000000, 0.0004909700000000 ] - [ 0.0000631100000000, -0.0000732400000000, 0.0001885700000000 ] - [ -0.0000923200000000, -0.0003256300000000, -0.0006809800000000 ] - [ -0.0001950700000000, -0.0001305700000000, 0.0005896600000000 ] - [ -0.0005592200000000, -0.0009686000000000, 0.0013361100000000 ] - [ 0.0000096800000000, 0.0000323900000000, 0.0004618300000000 ] - [ -0.0024246800000000, -0.0002008300000000, -0.0026361500000000 ] - [ -0.0007731400000000, 0.0002955800000000, 0.0000780500000000 ] - [ 0.0002195500000000, -0.0000240700000000, 0.0003328300000000 ] - [ 0.0000216200000000, -0.0000410300000000, 0.0012364100000000 ] - [ 0.0002800300000000, 0.0000401100000000, 0.0011628000000000 ] - [ 0.0023176200000000, 0.0000660300000000, -0.0003562000000000 ] - [ 0.0005835600000000, -0.0011023600000000, -0.0003283300000000 ] - [ -0.0012050400000000, -0.0020871900000000, -0.0002303900000000 ] - [ -0.0012464600000000, -0.0000458000000000, -0.0003283300000000 ] - [ -0.0001758400000000, -0.0003045700000000, 0.0013938700000000 ] - [ -0.0011592300000000, -0.0020078400000000, -0.0046255800000000 ] - [ 0.0007431700000000, 0.0012872100000000, 0.0055234800000000 ] - [ -0.0002110400000000, -0.0000627900000000, 0.0000003200000000 ] - [ -0.0020260800000000, 0.0030580800000000, -0.0002194500000000 ] - [ -0.0011016300000000, 0.0020401300000000, -0.0003562000000000 ] - [ 0.0000511400000000, -0.0002141700000000, 0.0000003200000000 ] - [ -0.0000463400000000, -0.0000017900000000, 0.0012364100000000 ] - [ 0.0000273100000000, 0.0000473000000000, 0.0016832300000000 ] - [ 0.0036614200000000, -0.0002256000000000, -0.0002194500000000 ] - [ -0.0001052800000000, 0.0002625700000000, 0.0011628000000000 ] - [ -0.0001859000000000, 0.0003804500000000, 0.0007615000000000 ] - [ 0.0004224300000000, 0.0000292300000000, 0.0007615000000000 ] - [ 0.0009430000000000, 0.0016333200000000, 0.0012905500000000 ] - [ -0.0001749100000000, -0.0003029500000000, 0.0011381900000000 ] - [ -0.0000068400000000, 0.0000112300000000, -0.0004319200000000 ] - [ 0.0000131500000000, -0.0000003100000000, -0.0004319200000000 ] - [ 0.0000008000000000, 0.0000013900000000, -0.0001575000000000 ] - [ 0.0000073100000000, -0.0006026300000000, 0.0000754300000000 ] - [ 0.0001752100000000, 0.0001358000000000, -0.0000350800000000 ] - [ 0.0002035300000000, 0.0000007000000000, -0.0001304300000000 ] - [ 0.0000294700000000, -0.0000619900000000, -0.0002005400000000 ] - [ -0.0007927000000000, -0.0005914900000000, 0.0002184200000000 ] - [ 0.0015306300000000, 0.0026511300000000, 0.0001046800000000 ] - [ 0.0012557900000000, -0.0006704700000000, 0.0005735900000000 ] - [ 0.0000152000000000, -0.0013605100000000, 0.0002719300000000 ] - [ -0.0001921800000000, -0.0003328600000000, -0.0011599200000000 ] - [ 0.0000408200000000, 0.0000090400000000, 0.0000128900000000 ] - [ -0.0002000600000000, 0.0000914000000000, -0.0001590900000000 ] - [ 0.0005483300000000, 0.0001365700000000, 0.0000448600000000 ] - [ 0.0001228600000000, -0.0000091600000000, -0.0007620600000000 ] - [ 0.0015485900000000, -0.0029341600000000, 0.0006240400000000 ] - [ -0.0000438500000000, -0.0000759500000000, -0.0010152000000000 ] - [ -0.0033153500000000, -0.0001259600000000, 0.0006240400000000 ] - [ 0.0005074900000000, 0.0011112300000000, -0.0006356500000000 ] - [ -0.0005255500000000, -0.0002949900000000, 0.0000754300000000 ] - [ 0.0002224700000000, 0.0003097100000000, -0.0001330400000000 ] - [ 0.0001438800000000, 0.0001253200000000, -0.0003305500000000 ] - [ 0.0005499500000000, 0.0017165600000000, 0.0011586900000000 ] - [ 0.0002372000000000, 0.0004108400000000, -0.0000956700000000 ] - [ -0.0011858400000000, -0.0006670900000000, 0.0002719300000000 ] - [ -0.0000125800000000, 0.0000398700000000, 0.0000128900000000 ] - [ 0.0000787500000000, -0.0002299900000000, -0.0004749700000000 ] - [ -0.0000465900000000, 0.0000718000000000, -0.0007295700000000 ] - [ 0.0002365900000000, -0.0004444100000000, 0.0005365600000000 ] - [ 0.0000365900000000, 0.0001872600000000, -0.0003305500000000 ] - [ 0.0005521000000000, 0.0000234400000000, 0.0008130700000000 ] - [ -0.0002385500000000, -0.0000467900000000, -0.0004749700000000 ] - [ -0.0006813200000000, -0.0011800800000000, -0.0007328900000000 ] - [ -0.0002031600000000, 0.0000312800000000, -0.0001793800000000 ] - [ -0.0008548200000000, 0.0005190500000000, 0.0002278600000000 ] - [ -0.0003128300000000, -0.0000211600000000, -0.0001094500000000 ] - [ 0.0001569900000000, 0.0003475200000000, -0.0001330400000000 ] - [ -0.0046845100000000, 0.0002982200000000, -0.0005529100000000 ] - [ -0.0000942500000000, -0.0001632500000000, -0.0002944200000000 ] - [ 0.0000950500000000, -0.0000419600000000, -0.0009780300000000 ] - [ -0.0012085300000000, 0.0007523100000000, 0.0005735900000000 ] - [ -0.0003479500000000, -0.0002047700000000, -0.0002632400000000 ] - [ 0.0008769200000000, -0.0004807700000000, 0.0002278600000000 ] - [ -0.0001011600000000, 0.0001766100000000, -0.0001304300000000 ] - [ -0.0002132400000000, 0.0001757300000000, -0.0000219600000000 ] - [ -0.0002290500000000, -0.0001326800000000, -0.0028430800000000 ] - [ 0.0026005200000000, -0.0039078000000000, -0.0005529100000000 ] - [ -0.0004991100000000, -0.0001239200000000, -0.0001781100000000 ] - [ -0.0001558900000000, 0.0005431500000000, 0.0000448600000000 ] - [ -0.0008667300000000, 0.0001243300000000, -0.0004132500000000 ] - [ -0.0000684200000000, -0.0000054700000000, -0.0002005400000000 ] - [ 0.0005410400000000, -0.0006884400000000, -0.0004132500000000 ] - [ -0.0000126400000000, 0.0000123100000000, -0.0000942700000000 ] - [ 0.0008825600000000, 0.0004037200000000, 0.0001993600000000 ] - [ 0.0001286700000000, -0.0001603100000000, -0.0001793800000000 ] - [ 0.0000169800000000, -0.0000047900000000, -0.0000942700000000 ] - [ -0.0005031600000000, -0.0000173100000000, 0.0005365600000000 ] - [ 0.0001381800000000, 0.0002393300000000, -0.0010255400000000 ] - [ -0.0001418400000000, -0.0002456700000000, 0.0000296600000000 ] - [ 0.0012116100000000, 0.0013345500000000, 0.0011586900000000 ] - [ 0.0002588100000000, -0.0000968000000000, -0.0000219600000000 ] - [ 0.0000224000000000, -0.0002109400000000, -0.0001608600000000 ] - [ 0.0002404500000000, 0.0004164700000000, 0.0007706300000000 ] - [ -0.0003715900000000, -0.0006436100000000, -0.0019116800000000 ] - [ -0.0000068100000000, -0.0000118000000000, -0.0009638600000000 ] - [ 0.0000854700000000, -0.0000044500000000, -0.0007295700000000 ] - [ 0.0002722400000000, 0.0004715300000000, -0.0006083900000000 ] - [ -0.0002557500000000, 0.0004898500000000, 0.0008130700000000 ] - [ 0.0007595000000000, -0.0009433100000000, -0.0006336900000000 ] - [ 0.0007086100000000, 0.0009951200000000, -0.0006356500000000 ] - [ 0.0001380900000000, -0.0002815000000000, -0.0001094500000000 ] - [ -0.0001159000000000, -0.0009822400000000, 0.0002184200000000 ] - [ -0.0011966800000000, 0.0001860900000000, -0.0006336900000000 ] - [ -0.0000916500000000, 0.0009661800000000, 0.0001993600000000 ] - [ -0.0000693600000000, 0.0001018200000000, -0.0007620600000000 ] - [ -0.0000033700000000, -0.0004037200000000, -0.0002632400000000 ] - [ 0.0001791800000000, -0.0001275600000000, -0.0001590900000000 ] - [ -0.0003416000000000, 0.0001737100000000, -0.0002520100000000 ] - [ -0.0000988800000000, -0.0001712700000000, -0.0022294400000000 ] - [ -0.0001691600000000, -0.0002929900000000, 0.0024934600000000 ] - [ -0.0000003800000000, -0.0002647000000000, -0.0028430800000000 ] - [ 0.0000300000000000, 0.0002196400000000, -0.0000350800000000 ] - [ 0.0003212400000000, -0.0002089800000000, -0.0002520100000000 ] - [ -0.0001938800000000, -0.0000860700000000, -0.0001608600000000 ] - [ -0.0000838600000000, 0.0000613400000000, -0.0009780300000000 ] - [ 0.0001422400000000, -0.0004942000000000, -0.0001781100000000 ] - [ -0.0000098700000000, -0.0000318800000000, 0.0001232500000000 ] - [ -0.0000812700000000, -0.0001407700000000, -0.0002752500000000 ] - [ 0.0008099000000000, -0.0000556800000000, 0.0004181800000000 ] - [ -0.0004341700000000, 0.0003392800000000, -0.0001224000000000 ] - [ 0.0000083400000000, -0.0000260000000000, -0.0001888500000000 ] - [ -0.0004032400000000, -0.0006984300000000, 0.0004229800000000 ] - [ -0.0000266900000000, -0.0000057800000000, -0.0001888500000000 ] - [ -0.0000317900000000, -0.0000550700000000, -0.0000675100000000 ] - [ 0.0005840500000000, 0.0010116000000000, -0.0094325600000000 ] - [ 0.0031021900000000, 0.0053731600000000, 0.0373283200000000 ] - [ -0.0000226700000000, -0.0000244900000000, 0.0001232500000000 ] - [ -0.0000065400000000, -0.0000113200000000, -0.0011861900000000 ] - [ -0.0000170500000000, -0.0000009900000000, 0.0002586900000000 ] - [ 0.0005109100000000, -0.0002063700000000, -0.0001224000000000 ] - [ 0.0000076700000000, -0.0000152600000000, 0.0002586900000000 ] - [ 0.0000800100000000, 0.0000503100000000, -0.0002860100000000 ] - [ -0.0004531700000000, 0.0006735600000000, 0.0004181800000000 ] - [ 0.0000035600000000, 0.0000944500000000, -0.0002860100000000 ]