# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6ae1992a-247a-4243-a68e-7ebcca050028/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 Ba7Al64O103 / P-62m (189) / materials id 667379](https://mdr.nims.go.jp/datasets/c3064292-12ee-436d-8601-8d154c41e97a) ## 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: "P-62m" number: 189 Hall_symbol: "P -6 -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.729093870000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.864546950000000, 8.425642450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.985510619999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.669063570000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.220839600000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.669063570000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.330936430000000, 0.330936430000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.779160400000000 ] mass: 137.327000 - symbol: Al # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424903000000000 ] mass: 26.981539 - symbol: Al # 9 coordinates: [ 0.491814190000000, 0.169729100000000, 0.152674510000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.424180960000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.838387740000000, 0.168352200000000, 0.357196420000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.000000000000000, 0.190648240000000, 0.930482190000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.575819040000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.278371230000000 ] mass: 26.981539 - symbol: Al # 15 coordinates: [ 0.161612260000000, 0.329964440000000, 0.642803580000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.168352200000000, 0.838387740000000, 0.642803580000000 ] mass: 26.981539 - symbol: Al # 17 coordinates: [ 0.508185810000000, 0.677914910000000, 0.152674510000000 ] mass: 26.981539 - symbol: Al # 18 coordinates: [ 0.000000000000000, 0.330587160000000, 0.745701030000000 ] mass: 26.981539 - symbol: Al # 19 coordinates: [ 0.322085090000000, 0.830270900000000, 0.152674510000000 ] mass: 26.981539 - symbol: Al # 20 coordinates: [ 0.342045320000000, 0.342045320000000, 0.231617630000000 ] mass: 26.981539 - symbol: Al # 21 coordinates: [ 0.677914910000000, 0.508185810000000, 0.847325490000000 ] mass: 26.981539 - symbol: Al # 22 coordinates: [ 0.497800370000000, 0.497800370000000, 0.358427730000000 ] mass: 26.981539 - symbol: Al # 23 coordinates: [ 0.508185810000000, 0.677914910000000, 0.847325490000000 ] mass: 26.981539 - symbol: Al # 24 coordinates: [ 0.169729100000000, 0.491814190000000, 0.152674510000000 ] mass: 26.981539 - symbol: Al # 25 coordinates: [ 0.669412840000000, 0.669412840000000, 0.254298970000000 ] mass: 26.981539 - symbol: Al # 26 coordinates: [ 0.497800370000000, 0.497800370000000, 0.641572270000000 ] mass: 26.981539 - symbol: Al # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.575097000000000 ] mass: 26.981539 - symbol: Al # 28 coordinates: [ 0.657954680000000, 0.000000000000000, 0.768382370000000 ] mass: 26.981539 - symbol: Al # 29 coordinates: [ 0.330587160000000, 0.000000000000000, 0.254298970000000 ] mass: 26.981539 - symbol: Al # 30 coordinates: [ 0.831647800000000, 0.670035560000000, 0.357196420000000 ] mass: 26.981539 - symbol: Al # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.721628770000000 ] mass: 26.981539 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.657954680000000, 0.231617630000000 ] mass: 26.981539 - symbol: Al # 33 coordinates: [ 0.670035560000000, 0.831647800000000, 0.357196420000000 ] mass: 26.981539 - symbol: Al # 34 coordinates: [ 0.830270900000000, 0.322085090000000, 0.152674510000000 ] mass: 26.981539 - symbol: Al # 35 coordinates: [ 0.502199630000000, 0.000000000000000, 0.641572270000000 ] mass: 26.981539 - symbol: Al # 36 coordinates: [ 0.190648240000000, 0.000000000000000, 0.930482190000000 ] mass: 26.981539 - symbol: Al # 37 coordinates: [ 0.000000000000000, 0.502199630000000, 0.641572270000000 ] mass: 26.981539 - symbol: Al # 38 coordinates: [ 0.329964440000000, 0.161612260000000, 0.357196420000000 ] mass: 26.981539 - symbol: Al # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.721628770000000 ] mass: 26.981539 - symbol: Al # 40 coordinates: [ 0.329964440000000, 0.161612260000000, 0.642803580000000 ] mass: 26.981539 - symbol: Al # 41 coordinates: [ 0.000000000000000, 0.190648240000000, 0.069517810000000 ] mass: 26.981539 - symbol: Al # 42 coordinates: [ 0.831647800000000, 0.670035560000000, 0.642803580000000 ] mass: 26.981539 - symbol: Al # 43 coordinates: [ 0.169729100000000, 0.491814190000000, 0.847325490000000 ] mass: 26.981539 - symbol: Al # 44 coordinates: [ 0.657954680000000, 0.000000000000000, 0.231617630000000 ] mass: 26.981539 - symbol: Al # 45 coordinates: [ 0.670035560000000, 0.831647800000000, 0.642803580000000 ] mass: 26.981539 - symbol: Al # 46 coordinates: [ 0.342045320000000, 0.342045320000000, 0.768382370000000 ] mass: 26.981539 - symbol: Al # 47 coordinates: [ 0.677914910000000, 0.508185810000000, 0.152674510000000 ] mass: 26.981539 - symbol: Al # 48 coordinates: [ 0.491814190000000, 0.169729100000000, 0.847325490000000 ] mass: 26.981539 - symbol: Al # 49 coordinates: [ 0.161612260000000, 0.329964440000000, 0.357196420000000 ] mass: 26.981539 - symbol: Al # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.575097000000000 ] mass: 26.981539 - symbol: Al # 51 coordinates: [ 0.360156740000000, 0.360156740000000, 0.074165940000000 ] mass: 26.981539 - symbol: Al # 52 coordinates: [ 0.639843260000000, 0.000000000000000, 0.074165940000000 ] mass: 26.981539 - symbol: Al # 53 coordinates: [ 0.000000000000000, 0.639843260000000, 0.925834060000000 ] mass: 26.981539 - symbol: Al # 54 coordinates: [ 0.000000000000000, 0.330587160000000, 0.254298970000000 ] mass: 26.981539 - symbol: Al # 55 coordinates: [ 0.809351760000000, 0.809351760000000, 0.069517810000000 ] mass: 26.981539 - symbol: Al # 56 coordinates: [ 0.333333330000000, 0.666666670000000, 0.278371230000000 ] mass: 26.981539 - symbol: Al # 57 coordinates: [ 0.168352200000000, 0.838387740000000, 0.357196420000000 ] mass: 26.981539 - symbol: Al # 58 coordinates: [ 0.669412840000000, 0.669412840000000, 0.745701030000000 ] mass: 26.981539 - symbol: Al # 59 coordinates: [ 0.360156740000000, 0.360156740000000, 0.925834060000000 ] mass: 26.981539 - symbol: Al # 60 coordinates: [ 0.838387740000000, 0.168352200000000, 0.642803580000000 ] mass: 26.981539 - symbol: Al # 61 coordinates: [ 0.502199630000000, 0.000000000000000, 0.358427730000000 ] mass: 26.981539 - symbol: Al # 62 coordinates: [ 0.330587160000000, 0.000000000000000, 0.745701030000000 ] mass: 26.981539 - symbol: Al # 63 coordinates: [ 0.000000000000000, 0.657954680000000, 0.768382370000000 ] mass: 26.981539 - symbol: Al # 64 coordinates: [ 0.639843260000000, 0.000000000000000, 0.925834060000000 ] mass: 26.981539 - symbol: Al # 65 coordinates: [ 0.000000000000000, 0.639843260000000, 0.074165940000000 ] mass: 26.981539 - symbol: Al # 66 coordinates: [ 0.322085090000000, 0.830270900000000, 0.847325490000000 ] mass: 26.981539 - symbol: Al # 67 coordinates: [ 0.830270900000000, 0.322085090000000, 0.847325490000000 ] mass: 26.981539 - symbol: Al # 68 coordinates: [ 0.190648240000000, 0.000000000000000, 0.069517810000000 ] mass: 26.981539 - symbol: Al # 69 coordinates: [ 0.000000000000000, 0.502199630000000, 0.358427730000000 ] mass: 26.981539 - symbol: Al # 70 coordinates: [ 0.809351760000000, 0.809351760000000, 0.930482190000000 ] mass: 26.981539 - symbol: Al # 71 coordinates: [ 0.333333330000000, 0.666666670000000, 0.424903000000000 ] mass: 26.981539 - symbol: O # 72 coordinates: [ 0.507252040000000, 0.837140280000000, 0.600620160000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.666461850000000, 0.310436970000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.828395530000000, 0.491522430000000, 0.108688060000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.484176620000000, 0.796472700000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.663942540000000, 0.663942540000000, 0.886720520000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.341343470000000, 0.844015110000000, 0.304431320000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.336057460000000, 0.113279480000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.658656530000000, 0.502671630000000, 0.695568680000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.401159910000000, 0.401159910000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.598840090000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.169195040000000, 0.344040820000000, 0.791839830000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.171604470000000, 0.663126900000000, 0.108688060000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.329888250000000, 0.492747960000000, 0.600620160000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.492747960000000, 0.329888250000000, 0.399379840000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.655959180000000, 0.825154210000000, 0.208160170000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.670111750000000, 0.162859720000000, 0.399379840000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.663942540000000, 0.663942540000000, 0.113279480000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.484176620000000, 0.000000000000000, 0.796472700000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.827457140000000, 0.000000000000000, 0.400001070000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.333538150000000, 0.333538150000000, 0.310436970000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.344040820000000, 0.169195040000000, 0.791839830000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.666461850000000, 0.000000000000000, 0.689563030000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.830804960000000, 0.174845790000000, 0.208160170000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.169195040000000, 0.344040820000000, 0.208160170000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.333333330000000, 0.666666670000000, 0.198841560000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.344040820000000, 0.169195040000000, 0.208160170000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.249424590000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.809824330000000, 0.809824330000000, 0.693708420000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.844015110000000, 0.341343470000000, 0.695568680000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.000000000000000, 0.598840090000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.809824330000000, 0.809824330000000, 0.306291580000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.336873100000000, 0.508477570000000, 0.891311940000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.341343470000000, 0.844015110000000, 0.695568680000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.000000000000000, 0.336057460000000, 0.886720520000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.155984890000000, 0.497328370000000, 0.695568680000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.663126900000000, 0.171604470000000, 0.891311940000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.484176620000000, 0.000000000000000, 0.203527300000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.497328370000000, 0.155984890000000, 0.304431320000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.830804960000000, 0.174845790000000, 0.791839830000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.337794890000000, 0.000000000000000, 0.396797230000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.336057460000000, 0.000000000000000, 0.886720520000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.666461850000000, 0.689563030000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.336873100000000, 0.508477570000000, 0.108688060000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.491522430000000, 0.828395530000000, 0.891311940000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.666666670000000, 0.333333330000000, 0.801158440000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.172491330000000, 0.172491330000000, 0.083930180000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.000000000000000, 0.827508670000000, 0.916069820000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.000000000000000, 0.827508670000000, 0.083930180000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.000000000000000, 0.827457140000000, 0.400001070000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.837140280000000, 0.507252040000000, 0.399379840000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.172542860000000, 0.172542860000000, 0.400001070000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.000000000000000, 0.484176620000000, 0.203527300000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.825154210000000, 0.655959180000000, 0.208160170000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.171604470000000, 0.663126900000000, 0.891311940000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.190175670000000, 0.000000000000000, 0.306291580000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.827508670000000, 0.000000000000000, 0.083930180000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.000000000000000, 0.827457140000000, 0.599998930000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.333538150000000, 0.333538150000000, 0.689563030000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.336057460000000, 0.000000000000000, 0.113279480000000 ] mass: 15.999400 - symbol: O # 133 coordinates: [ 0.844015110000000, 0.341343470000000, 0.304431320000000 ] mass: 15.999400 - symbol: O # 134 coordinates: [ 0.174845790000000, 0.830804960000000, 0.791839830000000 ] mass: 15.999400 - symbol: O # 135 coordinates: [ 0.662205110000000, 0.662205110000000, 0.396797230000000 ] mass: 15.999400 - symbol: O # 136 coordinates: [ 0.750575410000000, 0.750575410000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 137 coordinates: [ 0.666461850000000, 0.000000000000000, 0.310436970000000 ] mass: 15.999400 - symbol: O # 138 coordinates: [ 0.337794890000000, 0.000000000000000, 0.603202770000000 ] mass: 15.999400 - symbol: O # 139 coordinates: [ 0.190175670000000, 0.000000000000000, 0.693708420000000 ] mass: 15.999400 - symbol: O # 140 coordinates: [ 0.174845790000000, 0.830804960000000, 0.208160170000000 ] mass: 15.999400 - symbol: O # 141 coordinates: [ 0.333333330000000, 0.666666670000000, 0.801158440000000 ] mass: 15.999400 - symbol: O # 142 coordinates: [ 0.828395530000000, 0.491522430000000, 0.891311940000000 ] mass: 15.999400 - symbol: O # 143 coordinates: [ 0.507252040000000, 0.837140280000000, 0.399379840000000 ] mass: 15.999400 - symbol: O # 144 coordinates: [ 0.827457140000000, 0.000000000000000, 0.599998930000000 ] mass: 15.999400 - symbol: O # 145 coordinates: [ 0.162859720000000, 0.670111750000000, 0.600620160000000 ] mass: 15.999400 - symbol: O # 146 coordinates: [ 0.666666670000000, 0.333333330000000, 0.198841560000000 ] mass: 15.999400 - symbol: O # 147 coordinates: [ 0.825154210000000, 0.655959180000000, 0.791839830000000 ] mass: 15.999400 - symbol: O # 148 coordinates: [ 0.658656530000000, 0.502671630000000, 0.304431320000000 ] mass: 15.999400 - symbol: O # 149 coordinates: [ 0.515823380000000, 0.515823380000000, 0.203527300000000 ] mass: 15.999400 - symbol: O # 150 coordinates: [ 0.000000000000000, 0.337794890000000, 0.603202770000000 ] mass: 15.999400 - symbol: O # 151 coordinates: [ 0.497328370000000, 0.155984890000000, 0.695568680000000 ] mass: 15.999400 - symbol: O # 152 coordinates: [ 0.172542860000000, 0.172542860000000, 0.599998930000000 ] mass: 15.999400 - symbol: O # 153 coordinates: [ 0.172491330000000, 0.172491330000000, 0.916069820000000 ] mass: 15.999400 - symbol: O # 154 coordinates: [ 0.827508670000000, 0.000000000000000, 0.916069820000000 ] mass: 15.999400 - symbol: O # 155 coordinates: [ 0.000000000000000, 0.190175670000000, 0.693708420000000 ] mass: 15.999400 - symbol: O # 156 coordinates: [ 0.000000000000000, 0.190175670000000, 0.306291580000000 ] mass: 15.999400 - symbol: O # 157 coordinates: [ 0.662205110000000, 0.662205110000000, 0.603202770000000 ] mass: 15.999400 - symbol: O # 158 coordinates: [ 0.502671630000000, 0.658656530000000, 0.304431320000000 ] mass: 15.999400 - symbol: O # 159 coordinates: [ 0.492747960000000, 0.329888250000000, 0.600620160000000 ] mass: 15.999400 - symbol: O # 160 coordinates: [ 0.508477570000000, 0.336873100000000, 0.108688060000000 ] mass: 15.999400 - symbol: O # 161 coordinates: [ 0.837140280000000, 0.507252040000000, 0.600620160000000 ] mass: 15.999400 - symbol: O # 162 coordinates: [ 0.508477570000000, 0.336873100000000, 0.891311940000000 ] mass: 15.999400 - symbol: O # 163 coordinates: [ 0.515823380000000, 0.515823380000000, 0.796472700000000 ] mass: 15.999400 - symbol: O # 164 coordinates: [ 0.329888250000000, 0.492747960000000, 0.399379840000000 ] mass: 15.999400 - symbol: O # 165 coordinates: [ 0.249424590000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 166 coordinates: [ 0.670111750000000, 0.162859720000000, 0.600620160000000 ] mass: 15.999400 - symbol: O # 167 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 168 coordinates: [ 0.663126900000000, 0.171604470000000, 0.108688060000000 ] mass: 15.999400 - symbol: O # 169 coordinates: [ 0.162859720000000, 0.670111750000000, 0.399379840000000 ] mass: 15.999400 - symbol: O # 170 coordinates: [ 0.502671630000000, 0.658656530000000, 0.695568680000000 ] mass: 15.999400 - symbol: O # 171 coordinates: [ 0.155984890000000, 0.497328370000000, 0.304431320000000 ] mass: 15.999400 - symbol: O # 172 coordinates: [ 0.655959180000000, 0.825154210000000, 0.791839830000000 ] mass: 15.999400 - symbol: O # 173 coordinates: [ 0.491522430000000, 0.828395530000000, 0.108688060000000 ] mass: 15.999400 - symbol: O # 174 coordinates: [ 0.000000000000000, 0.337794890000000, 0.396797230000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.102784494975790, 0.059342656006222, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.118685311646473, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.043505668267812 ] # c*unit_cell: lattice: - [ 9.729093870000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.864546950000000, 8.425642450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.985510619999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.669063570000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.220839600000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.669063570000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.330936430000000, 0.330936430000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.779160400000000 ] mass: 137.327000 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424903000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.491814190000000, 0.169729100000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.424180960000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.838387740000000, 0.168352200000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.000000000000000, 0.190648240000000, 0.930482190000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.575819040000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.278371230000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.161612260000000, 0.329964440000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.168352200000000, 0.838387740000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.508185810000000, 0.677914910000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.000000000000000, 0.330587160000000, 0.745701030000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.322085090000000, 0.830270900000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.342045320000000, 0.342045320000000, 0.231617630000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.677914910000000, 0.508185810000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.497800370000000, 0.497800370000000, 0.358427730000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.508185810000000, 0.677914910000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.169729100000000, 0.491814190000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.669412840000000, 0.669412840000000, 0.254298970000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.497800370000000, 0.497800370000000, 0.641572270000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.575097000000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.657954680000000, 0.000000000000000, 0.768382370000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.330587160000000, 0.000000000000000, 0.254298970000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.831647800000000, 0.670035560000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.721628770000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.657954680000000, 0.231617630000000 ] mass: 26.981539 reduced_to: 32 - symbol: Al # 33 coordinates: [ 0.670035560000000, 0.831647800000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.830270900000000, 0.322085090000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 34 - symbol: Al # 35 coordinates: [ 0.502199630000000, 0.000000000000000, 0.641572270000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 36 coordinates: [ 0.190648240000000, 0.000000000000000, 0.930482190000000 ] mass: 26.981539 reduced_to: 36 - symbol: Al # 37 coordinates: [ 0.000000000000000, 0.502199630000000, 0.641572270000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.329964440000000, 0.161612260000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 38 - symbol: Al # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.721628770000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 40 coordinates: [ 0.329964440000000, 0.161612260000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 40 - symbol: Al # 41 coordinates: [ 0.000000000000000, 0.190648240000000, 0.069517810000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.831647800000000, 0.670035560000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 42 - symbol: Al # 43 coordinates: [ 0.169729100000000, 0.491814190000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 44 coordinates: [ 0.657954680000000, 0.000000000000000, 0.231617630000000 ] mass: 26.981539 reduced_to: 44 - symbol: Al # 45 coordinates: [ 0.670035560000000, 0.831647800000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.342045320000000, 0.342045320000000, 0.768382370000000 ] mass: 26.981539 reduced_to: 46 - symbol: Al # 47 coordinates: [ 0.677914910000000, 0.508185810000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 48 coordinates: [ 0.491814190000000, 0.169729100000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 48 - symbol: Al # 49 coordinates: [ 0.161612260000000, 0.329964440000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.575097000000000 ] mass: 26.981539 reduced_to: 50 - symbol: Al # 51 coordinates: [ 0.360156740000000, 0.360156740000000, 0.074165940000000 ] mass: 26.981539 reduced_to: 51 - symbol: Al # 52 coordinates: [ 0.639843260000000, 0.000000000000000, 0.074165940000000 ] mass: 26.981539 reduced_to: 52 - symbol: Al # 53 coordinates: [ 0.000000000000000, 0.639843260000000, 0.925834060000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 54 coordinates: [ 0.000000000000000, 0.330587160000000, 0.254298970000000 ] mass: 26.981539 reduced_to: 54 - symbol: Al # 55 coordinates: [ 0.809351760000000, 0.809351760000000, 0.069517810000000 ] mass: 26.981539 reduced_to: 55 - symbol: Al # 56 coordinates: [ 0.333333330000000, 0.666666670000000, 0.278371230000000 ] mass: 26.981539 reduced_to: 56 - symbol: Al # 57 coordinates: [ 0.168352200000000, 0.838387740000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 58 coordinates: [ 0.669412840000000, 0.669412840000000, 0.745701030000000 ] mass: 26.981539 reduced_to: 58 - symbol: Al # 59 coordinates: [ 0.360156740000000, 0.360156740000000, 0.925834060000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 60 coordinates: [ 0.838387740000000, 0.168352200000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 60 - symbol: Al # 61 coordinates: [ 0.502199630000000, 0.000000000000000, 0.358427730000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 62 coordinates: [ 0.330587160000000, 0.000000000000000, 0.745701030000000 ] mass: 26.981539 reduced_to: 62 - symbol: Al # 63 coordinates: [ 0.000000000000000, 0.657954680000000, 0.768382370000000 ] mass: 26.981539 reduced_to: 63 - symbol: Al # 64 coordinates: [ 0.639843260000000, 0.000000000000000, 0.925834060000000 ] mass: 26.981539 reduced_to: 64 - symbol: Al # 65 coordinates: [ 0.000000000000000, 0.639843260000000, 0.074165940000000 ] mass: 26.981539 reduced_to: 65 - symbol: Al # 66 coordinates: [ 0.322085090000000, 0.830270900000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 66 - symbol: Al # 67 coordinates: [ 0.830270900000000, 0.322085090000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 67 - symbol: Al # 68 coordinates: [ 0.190648240000000, 0.000000000000000, 0.069517810000000 ] mass: 26.981539 reduced_to: 68 - symbol: Al # 69 coordinates: [ 0.000000000000000, 0.502199630000000, 0.358427730000000 ] mass: 26.981539 reduced_to: 69 - symbol: Al # 70 coordinates: [ 0.809351760000000, 0.809351760000000, 0.930482190000000 ] mass: 26.981539 reduced_to: 70 - symbol: Al # 71 coordinates: [ 0.333333330000000, 0.666666670000000, 0.424903000000000 ] mass: 26.981539 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.507252040000000, 0.837140280000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.666461850000000, 0.310436970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.828395530000000, 0.491522430000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.484176620000000, 0.796472700000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.663942540000000, 0.663942540000000, 0.886720520000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.341343470000000, 0.844015110000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.336057460000000, 0.113279480000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.658656530000000, 0.502671630000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.401159910000000, 0.401159910000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.598840090000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.169195040000000, 0.344040820000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.171604470000000, 0.663126900000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.329888250000000, 0.492747960000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.492747960000000, 0.329888250000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.655959180000000, 0.825154210000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.670111750000000, 0.162859720000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.663942540000000, 0.663942540000000, 0.113279480000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.484176620000000, 0.000000000000000, 0.796472700000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.827457140000000, 0.000000000000000, 0.400001070000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.333538150000000, 0.333538150000000, 0.310436970000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.344040820000000, 0.169195040000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.666461850000000, 0.000000000000000, 0.689563030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.830804960000000, 0.174845790000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.169195040000000, 0.344040820000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.333333330000000, 0.666666670000000, 0.198841560000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.344040820000000, 0.169195040000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.249424590000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.809824330000000, 0.809824330000000, 0.693708420000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.844015110000000, 0.341343470000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.000000000000000, 0.598840090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.809824330000000, 0.809824330000000, 0.306291580000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.336873100000000, 0.508477570000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.341343470000000, 0.844015110000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.000000000000000, 0.336057460000000, 0.886720520000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.155984890000000, 0.497328370000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.663126900000000, 0.171604470000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.484176620000000, 0.000000000000000, 0.203527300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.497328370000000, 0.155984890000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.830804960000000, 0.174845790000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.337794890000000, 0.000000000000000, 0.396797230000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.336057460000000, 0.000000000000000, 0.886720520000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.666461850000000, 0.689563030000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.336873100000000, 0.508477570000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.491522430000000, 0.828395530000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.666666670000000, 0.333333330000000, 0.801158440000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.172491330000000, 0.172491330000000, 0.083930180000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.000000000000000, 0.827508670000000, 0.916069820000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.000000000000000, 0.827508670000000, 0.083930180000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.000000000000000, 0.827457140000000, 0.400001070000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.837140280000000, 0.507252040000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.172542860000000, 0.172542860000000, 0.400001070000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.000000000000000, 0.484176620000000, 0.203527300000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.825154210000000, 0.655959180000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.171604470000000, 0.663126900000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.190175670000000, 0.000000000000000, 0.306291580000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.827508670000000, 0.000000000000000, 0.083930180000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.000000000000000, 0.827457140000000, 0.599998930000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.333538150000000, 0.333538150000000, 0.689563030000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.336057460000000, 0.000000000000000, 0.113279480000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.844015110000000, 0.341343470000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.174845790000000, 0.830804960000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.662205110000000, 0.662205110000000, 0.396797230000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.750575410000000, 0.750575410000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.666461850000000, 0.000000000000000, 0.310436970000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.337794890000000, 0.000000000000000, 0.603202770000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.190175670000000, 0.000000000000000, 0.693708420000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.174845790000000, 0.830804960000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.333333330000000, 0.666666670000000, 0.801158440000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.828395530000000, 0.491522430000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.507252040000000, 0.837140280000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.827457140000000, 0.000000000000000, 0.599998930000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.162859720000000, 0.670111750000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.666666670000000, 0.333333330000000, 0.198841560000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.825154210000000, 0.655959180000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.658656530000000, 0.502671630000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.515823380000000, 0.515823380000000, 0.203527300000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.000000000000000, 0.337794890000000, 0.603202770000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.497328370000000, 0.155984890000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.172542860000000, 0.172542860000000, 0.599998930000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.172491330000000, 0.172491330000000, 0.916069820000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.827508670000000, 0.000000000000000, 0.916069820000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.000000000000000, 0.190175670000000, 0.693708420000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.000000000000000, 0.190175670000000, 0.306291580000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.662205110000000, 0.662205110000000, 0.603202770000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.502671630000000, 0.658656530000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.492747960000000, 0.329888250000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.508477570000000, 0.336873100000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.837140280000000, 0.507252040000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.508477570000000, 0.336873100000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.515823380000000, 0.515823380000000, 0.796472700000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.329888250000000, 0.492747960000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.249424590000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.670111750000000, 0.162859720000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.663126900000000, 0.171604470000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 168 - symbol: O # 169 coordinates: [ 0.162859720000000, 0.670111750000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 169 - symbol: O # 170 coordinates: [ 0.502671630000000, 0.658656530000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 170 - symbol: O # 171 coordinates: [ 0.155984890000000, 0.497328370000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 171 - symbol: O # 172 coordinates: [ 0.655959180000000, 0.825154210000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 172 - symbol: O # 173 coordinates: [ 0.491522430000000, 0.828395530000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 173 - symbol: O # 174 coordinates: [ 0.000000000000000, 0.337794890000000, 0.396797230000000 ] mass: 15.999400 reduced_to: 174supercell: lattice: - [ 9.729093870000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.864546950000000, 8.425642450000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.985510619999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.669063570000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.220839600000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.669063570000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.330936430000000, 0.330936430000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.779160400000000 ] mass: 137.327000 reduced_to: 7 - symbol: Al # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.424903000000000 ] mass: 26.981539 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.491814190000000, 0.169729100000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.424180960000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.838387740000000, 0.168352200000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.000000000000000, 0.190648240000000, 0.930482190000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.575819040000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.666666670000000, 0.333333330000000, 0.278371230000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.161612260000000, 0.329964440000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.168352200000000, 0.838387740000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.508185810000000, 0.677914910000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.000000000000000, 0.330587160000000, 0.745701030000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.322085090000000, 0.830270900000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.342045320000000, 0.342045320000000, 0.231617630000000 ] mass: 26.981539 reduced_to: 20 - symbol: Al # 21 coordinates: [ 0.677914910000000, 0.508185810000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.497800370000000, 0.497800370000000, 0.358427730000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.508185810000000, 0.677914910000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.169729100000000, 0.491814190000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.669412840000000, 0.669412840000000, 0.254298970000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.497800370000000, 0.497800370000000, 0.641572270000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.575097000000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.657954680000000, 0.000000000000000, 0.768382370000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.330587160000000, 0.000000000000000, 0.254298970000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.831647800000000, 0.670035560000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.721628770000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.000000000000000, 0.657954680000000, 0.231617630000000 ] mass: 26.981539 reduced_to: 32 - symbol: Al # 33 coordinates: [ 0.670035560000000, 0.831647800000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.830270900000000, 0.322085090000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 34 - symbol: Al # 35 coordinates: [ 0.502199630000000, 0.000000000000000, 0.641572270000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 36 coordinates: [ 0.190648240000000, 0.000000000000000, 0.930482190000000 ] mass: 26.981539 reduced_to: 36 - symbol: Al # 37 coordinates: [ 0.000000000000000, 0.502199630000000, 0.641572270000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.329964440000000, 0.161612260000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 38 - symbol: Al # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.721628770000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 40 coordinates: [ 0.329964440000000, 0.161612260000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 40 - symbol: Al # 41 coordinates: [ 0.000000000000000, 0.190648240000000, 0.069517810000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.831647800000000, 0.670035560000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 42 - symbol: Al # 43 coordinates: [ 0.169729100000000, 0.491814190000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 44 coordinates: [ 0.657954680000000, 0.000000000000000, 0.231617630000000 ] mass: 26.981539 reduced_to: 44 - symbol: Al # 45 coordinates: [ 0.670035560000000, 0.831647800000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.342045320000000, 0.342045320000000, 0.768382370000000 ] mass: 26.981539 reduced_to: 46 - symbol: Al # 47 coordinates: [ 0.677914910000000, 0.508185810000000, 0.152674510000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 48 coordinates: [ 0.491814190000000, 0.169729100000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 48 - symbol: Al # 49 coordinates: [ 0.161612260000000, 0.329964440000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 49 - symbol: Al # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.575097000000000 ] mass: 26.981539 reduced_to: 50 - symbol: Al # 51 coordinates: [ 0.360156740000000, 0.360156740000000, 0.074165940000000 ] mass: 26.981539 reduced_to: 51 - symbol: Al # 52 coordinates: [ 0.639843260000000, 0.000000000000000, 0.074165940000000 ] mass: 26.981539 reduced_to: 52 - symbol: Al # 53 coordinates: [ 0.000000000000000, 0.639843260000000, 0.925834060000000 ] mass: 26.981539 reduced_to: 53 - symbol: Al # 54 coordinates: [ 0.000000000000000, 0.330587160000000, 0.254298970000000 ] mass: 26.981539 reduced_to: 54 - symbol: Al # 55 coordinates: [ 0.809351760000000, 0.809351760000000, 0.069517810000000 ] mass: 26.981539 reduced_to: 55 - symbol: Al # 56 coordinates: [ 0.333333330000000, 0.666666670000000, 0.278371230000000 ] mass: 26.981539 reduced_to: 56 - symbol: Al # 57 coordinates: [ 0.168352200000000, 0.838387740000000, 0.357196420000000 ] mass: 26.981539 reduced_to: 57 - symbol: Al # 58 coordinates: [ 0.669412840000000, 0.669412840000000, 0.745701030000000 ] mass: 26.981539 reduced_to: 58 - symbol: Al # 59 coordinates: [ 0.360156740000000, 0.360156740000000, 0.925834060000000 ] mass: 26.981539 reduced_to: 59 - symbol: Al # 60 coordinates: [ 0.838387740000000, 0.168352200000000, 0.642803580000000 ] mass: 26.981539 reduced_to: 60 - symbol: Al # 61 coordinates: [ 0.502199630000000, 0.000000000000000, 0.358427730000000 ] mass: 26.981539 reduced_to: 61 - symbol: Al # 62 coordinates: [ 0.330587160000000, 0.000000000000000, 0.745701030000000 ] mass: 26.981539 reduced_to: 62 - symbol: Al # 63 coordinates: [ 0.000000000000000, 0.657954680000000, 0.768382370000000 ] mass: 26.981539 reduced_to: 63 - symbol: Al # 64 coordinates: [ 0.639843260000000, 0.000000000000000, 0.925834060000000 ] mass: 26.981539 reduced_to: 64 - symbol: Al # 65 coordinates: [ 0.000000000000000, 0.639843260000000, 0.074165940000000 ] mass: 26.981539 reduced_to: 65 - symbol: Al # 66 coordinates: [ 0.322085090000000, 0.830270900000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 66 - symbol: Al # 67 coordinates: [ 0.830270900000000, 0.322085090000000, 0.847325490000000 ] mass: 26.981539 reduced_to: 67 - symbol: Al # 68 coordinates: [ 0.190648240000000, 0.000000000000000, 0.069517810000000 ] mass: 26.981539 reduced_to: 68 - symbol: Al # 69 coordinates: [ 0.000000000000000, 0.502199630000000, 0.358427730000000 ] mass: 26.981539 reduced_to: 69 - symbol: Al # 70 coordinates: [ 0.809351760000000, 0.809351760000000, 0.930482190000000 ] mass: 26.981539 reduced_to: 70 - symbol: Al # 71 coordinates: [ 0.333333330000000, 0.666666670000000, 0.424903000000000 ] mass: 26.981539 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.507252040000000, 0.837140280000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.666461850000000, 0.310436970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.828395530000000, 0.491522430000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.000000000000000, 0.484176620000000, 0.796472700000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.663942540000000, 0.663942540000000, 0.886720520000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.341343470000000, 0.844015110000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.000000000000000, 0.336057460000000, 0.113279480000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.658656530000000, 0.502671630000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.401159910000000, 0.401159910000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.598840090000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.169195040000000, 0.344040820000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.171604470000000, 0.663126900000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.329888250000000, 0.492747960000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.492747960000000, 0.329888250000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.655959180000000, 0.825154210000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.670111750000000, 0.162859720000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.663942540000000, 0.663942540000000, 0.113279480000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.484176620000000, 0.000000000000000, 0.796472700000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.827457140000000, 0.000000000000000, 0.400001070000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.333538150000000, 0.333538150000000, 0.310436970000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.344040820000000, 0.169195040000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.666461850000000, 0.000000000000000, 0.689563030000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.830804960000000, 0.174845790000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.169195040000000, 0.344040820000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.333333330000000, 0.666666670000000, 0.198841560000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.344040820000000, 0.169195040000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.249424590000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.809824330000000, 0.809824330000000, 0.693708420000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.844015110000000, 0.341343470000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.000000000000000, 0.598840090000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.809824330000000, 0.809824330000000, 0.306291580000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.336873100000000, 0.508477570000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.341343470000000, 0.844015110000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.000000000000000, 0.336057460000000, 0.886720520000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.155984890000000, 0.497328370000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.663126900000000, 0.171604470000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.484176620000000, 0.000000000000000, 0.203527300000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.497328370000000, 0.155984890000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.830804960000000, 0.174845790000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.337794890000000, 0.000000000000000, 0.396797230000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.336057460000000, 0.000000000000000, 0.886720520000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.666461850000000, 0.689563030000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.336873100000000, 0.508477570000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.491522430000000, 0.828395530000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.666666670000000, 0.333333330000000, 0.801158440000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.172491330000000, 0.172491330000000, 0.083930180000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.000000000000000, 0.827508670000000, 0.916069820000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.000000000000000, 0.827508670000000, 0.083930180000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.000000000000000, 0.827457140000000, 0.400001070000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.837140280000000, 0.507252040000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.172542860000000, 0.172542860000000, 0.400001070000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.000000000000000, 0.484176620000000, 0.203527300000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.825154210000000, 0.655959180000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.171604470000000, 0.663126900000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.190175670000000, 0.000000000000000, 0.306291580000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.827508670000000, 0.000000000000000, 0.083930180000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.000000000000000, 0.827457140000000, 0.599998930000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.333538150000000, 0.333538150000000, 0.689563030000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.336057460000000, 0.000000000000000, 0.113279480000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.844015110000000, 0.341343470000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.174845790000000, 0.830804960000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.662205110000000, 0.662205110000000, 0.396797230000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.750575410000000, 0.750575410000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.666461850000000, 0.000000000000000, 0.310436970000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.337794890000000, 0.000000000000000, 0.603202770000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.190175670000000, 0.000000000000000, 0.693708420000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.174845790000000, 0.830804960000000, 0.208160170000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.333333330000000, 0.666666670000000, 0.801158440000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.828395530000000, 0.491522430000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.507252040000000, 0.837140280000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.827457140000000, 0.000000000000000, 0.599998930000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.162859720000000, 0.670111750000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.666666670000000, 0.333333330000000, 0.198841560000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.825154210000000, 0.655959180000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.658656530000000, 0.502671630000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.515823380000000, 0.515823380000000, 0.203527300000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.000000000000000, 0.337794890000000, 0.603202770000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.497328370000000, 0.155984890000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.172542860000000, 0.172542860000000, 0.599998930000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.172491330000000, 0.172491330000000, 0.916069820000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.827508670000000, 0.000000000000000, 0.916069820000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.000000000000000, 0.190175670000000, 0.693708420000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.000000000000000, 0.190175670000000, 0.306291580000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.662205110000000, 0.662205110000000, 0.603202770000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.502671630000000, 0.658656530000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.492747960000000, 0.329888250000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.508477570000000, 0.336873100000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.837140280000000, 0.507252040000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.508477570000000, 0.336873100000000, 0.891311940000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.515823380000000, 0.515823380000000, 0.796472700000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.329888250000000, 0.492747960000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.249424590000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.670111750000000, 0.162859720000000, 0.600620160000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.663126900000000, 0.171604470000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 168 - symbol: O # 169 coordinates: [ 0.162859720000000, 0.670111750000000, 0.399379840000000 ] mass: 15.999400 reduced_to: 169 - symbol: O # 170 coordinates: [ 0.502671630000000, 0.658656530000000, 0.695568680000000 ] mass: 15.999400 reduced_to: 170 - symbol: O # 171 coordinates: [ 0.155984890000000, 0.497328370000000, 0.304431320000000 ] mass: 15.999400 reduced_to: 171 - symbol: O # 172 coordinates: [ 0.655959180000000, 0.825154210000000, 0.791839830000000 ] mass: 15.999400 reduced_to: 172 - symbol: O # 173 coordinates: [ 0.491522430000000, 0.828395530000000, 0.108688060000000 ] mass: 15.999400 reduced_to: 173 - symbol: O # 174 coordinates: [ 0.000000000000000, 0.337794890000000, 0.396797230000000 ] mass: 15.999400 reduced_to: 174displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0307149700000000, 0.0007362900000000, 0.0000000000000000 ] - [ 0.0000071700000000, -0.0000000500000000, 0.0000000000000000 ] - [ -0.0000851700000000, -0.0002461700000000, 0.0004138000000000 ] - [ 0.0032261900000000, 0.0022143600000000, 0.0000000000000000 ] - [ 0.0029982400000000, -0.0023448400000000, 0.0000000000000000 ] - [ -0.0000050700000000, 0.0000070000000000, 0.0000000000000000 ] - [ -0.0000851700000000, -0.0002461700000000, -0.0004138000000000 ] - [ 0.0007957200000000, 0.0060918000000000, 0.0056827700000000 ] - [ -0.0001748400000000, 0.0003136400000000, -0.0001072700000000 ] - [ 0.0009329200000000, -0.0062724400000000, 0.0054012100000000 ] - [ -0.0006465600000000, -0.0013445700000000, 0.0001762100000000 ] - [ -0.0000067500000000, -0.0000008400000000, 0.0002183500000000 ] - [ 0.0009329200000000, -0.0062724400000000, -0.0054012100000000 ] - [ -0.0001401200000000, 0.0006583800000000, 0.0009128900000000 ] - [ 0.0011047900000000, -0.0020110200000000, 0.0007600100000000 ] - [ -0.0062864600000000, 0.0037462600000000, 0.0039119200000000 ] - [ 0.0000627400000000, 0.0002464600000000, -0.0000603200000000 ] - [ -0.0004380200000000, -0.0005088100000000, 0.0000509900000000 ] - [ -0.0001810200000000, -0.0001850600000000, -0.0002220100000000 ] - [ 0.0002728100000000, 0.0001473100000000, 0.0003563300000000 ] - [ 0.0002591300000000, 0.0000742300000000, -0.0000288000000000 ] - [ 0.0029913900000000, 0.0011112900000000, 0.0007170700000000 ] - [ 0.0000627400000000, 0.0002464600000000, 0.0000603200000000 ] - [ 0.0002359300000000, -0.0000601100000000, -0.0002220000000000 ] - [ 0.0004388400000000, 0.0000912700000000, 0.0010256900000000 ] - [ 0.0029913900000000, 0.0011112900000000, -0.0007170700000000 ] - [ 0.0007957200000000, 0.0060918000000000, -0.0056827700000000 ] - [ 0.0001423200000000, -0.0000399800000000, -0.0002954500000000 ] - [ -0.0004837800000000, 0.0004886000000000, -0.0000336500000000 ] - [ 0.0001351300000000, 0.0000757800000000, 0.0082174300000000 ] - [ -0.0001401200000000, 0.0006583800000000, -0.0009128900000000 ] - [ -0.0002627200000000, -0.0000759800000000, 0.0003078200000000 ] - [ 0.0031892700000000, -0.0014312800000000, 0.0008535700000000 ] - [ -0.0001758900000000, -0.0002669500000000, -0.0000900200000000 ] - [ 0.0015422000000000, 0.0019972400000000, 0.0009092200000000 ] - [ 0.0000041600000000, 0.0000041600000000, 0.0002171300000000 ] - [ -0.0064821600000000, -0.0034769800000000, 0.0043061500000000 ] - [ -0.0007725200000000, 0.0012265700000000, 0.0001460100000000 ] - [ 0.0010404200000000, -0.0000335000000000, 0.0008862700000000 ] - [ -0.0007725200000000, 0.0012265700000000, -0.0001460100000000 ] - [ -0.0000067500000000, -0.0000008400000000, -0.0002183500000000 ] - [ 0.0001351300000000, 0.0000757800000000, -0.0082174300000000 ] - [ 0.0002359300000000, -0.0000601100000000, 0.0002220000000000 ] - [ 0.0001423200000000, -0.0000399800000000, 0.0002954500000000 ] - [ 0.0031892700000000, -0.0014312800000000, -0.0008535700000000 ] - [ 0.0002728100000000, 0.0001473100000000, -0.0003563300000000 ] - [ 0.0002591300000000, 0.0000742300000000, 0.0000288000000000 ] - [ -0.0001748400000000, 0.0003136400000000, 0.0001072700000000 ] - [ 0.0011047900000000, -0.0020110200000000, -0.0007600100000000 ] - [ 0.0115638200000000, -0.0001088700000000, 0.0111040900000000 ] - [ 0.0000730500000000, 0.0000793200000000, 0.0002842600000000 ] - [ -0.0000773300000000, 0.0000046600000000, 0.0002807200000000 ] - [ 0.0000114200000000, -0.0000868700000000, -0.0002810300000000 ] - [ -0.0004380200000000, -0.0005088100000000, -0.0000509900000000 ] - [ -0.0000165300000000, -0.0000330900000000, -0.0001893800000000 ] - [ 0.0010404200000000, -0.0000335000000000, -0.0008862700000000 ] - [ -0.0062864600000000, 0.0037462600000000, -0.0039119200000000 ] - [ 0.0004388400000000, 0.0000912700000000, -0.0010256900000000 ] - [ 0.0000730500000000, 0.0000793200000000, -0.0002842600000000 ] - [ -0.0006465600000000, -0.0013445700000000, -0.0001762100000000 ] - [ 0.0015422000000000, 0.0019972400000000, -0.0009092200000000 ] - [ -0.0004837800000000, 0.0004886000000000, 0.0000336500000000 ] - [ -0.0002627200000000, -0.0000759800000000, -0.0003078200000000 ] - [ -0.0000773300000000, 0.0000046600000000, -0.0002807200000000 ] - [ 0.0000114200000000, -0.0000868700000000, 0.0002810300000000 ] - [ -0.0001810200000000, -0.0001850600000000, 0.0002220100000000 ] - [ -0.0001758900000000, -0.0002669500000000, 0.0000900200000000 ] - [ 0.0000041600000000, 0.0000041600000000, -0.0002171300000000 ] - [ -0.0064821600000000, -0.0034769800000000, -0.0043061500000000 ] - [ -0.0000165300000000, -0.0000330900000000, 0.0001893800000000 ] - [ 0.0115638200000000, -0.0001088700000000, -0.0111040900000000 ] - [ -0.0030308400000000, -0.0016890500000000, -0.0023179800000000 ] - [ 0.0024304900000000, -0.0000261000000000, -0.0004519500000000 ] - [ 0.0001176100000000, -0.0000996500000000, 0.0000431100000000 ] - [ 0.0000941300000000, 0.0001559000000000, -0.0002268500000000 ] - [ -0.0000169900000000, -0.0000065700000000, -0.0002259500000000 ] - [ -0.0002446500000000, -0.0008325800000000, 0.0014526200000000 ] - [ 0.0000031800000000, 0.0000318100000000, 0.0002916400000000 ] - [ -0.0000090900000000, -0.0005838300000000, 0.0010871000000000 ] - [ 0.0000987700000000, 0.0001919800000000, 0.0000000000000000 ] - [ -0.0002281500000000, -0.0000067100000000, 0.0000000000000000 ] - [ -0.0000665400000000, 0.0001234100000000, -0.0003572000000000 ] - [ 0.0000542200000000, -0.0001104900000000, 0.0000984300000000 ] - [ -0.0027430600000000, 0.0018984500000000, -0.0023080300000000 ] - [ -0.0014513900000000, -0.0010411300000000, -0.0009048700000000 ] - [ -0.0002018000000000, 0.0000849900000000, 0.0000348000000000 ] - [ 0.0002330700000000, -0.0015036500000000, -0.0007771700000000 ] - [ -0.0000169900000000, -0.0000065700000000, 0.0002259500000000 ] - [ 0.0000956800000000, -0.0001319900000000, -0.0003073400000000 ] - [ -0.0012393800000000, 0.0011151400000000, -0.0009903800000000 ] - [ -0.0005212300000000, 0.0003985100000000, -0.0004365000000000 ] - [ -0.0000101500000000, 0.0000397500000000, -0.0001678900000000 ] - [ -0.0006018200000000, -0.0003699700000000, 0.0004570800000000 ] - [ 0.0000042000000000, -0.0000576300000000, 0.0001678500000000 ] - [ -0.0000665400000000, 0.0001234100000000, 0.0003572000000000 ] - [ -0.0001519500000000, 0.0000061100000000, 0.0000406700000000 ] - [ -0.0000101500000000, 0.0000397500000000, 0.0001678900000000 ] - [ -0.0001624000000000, 0.0002900600000000, 0.0000000000000000 ] - [ -0.0001022300000000, 0.0004153100000000, 0.0014166200000000 ] - [ 0.0008196900000000, -0.0003202400000000, 0.0003010000000000 ] - [ 0.0001235200000000, -0.0001914700000000, 0.0000000000000000 ] - [ -0.0001022300000000, 0.0004153100000000, -0.0014166200000000 ] - [ 0.0000346900000000, 0.0000970900000000, -0.0000915300000000 ] - [ -0.0002446500000000, -0.0008325800000000, -0.0014526200000000 ] - [ 0.0000031800000000, 0.0000318100000000, -0.0002916400000000 ] - [ -0.0001552200000000, 0.0008482600000000, -0.0015327600000000 ] - [ -0.0001170300000000, -0.0000531000000000, -0.0000623100000000 ] - [ 0.0000956800000000, -0.0001319900000000, 0.0003073400000000 ] - [ -0.0001240600000000, -0.0006528100000000, 0.0002802800000000 ] - [ 0.0000042000000000, -0.0000576300000000, -0.0001678500000000 ] - [ 0.0007865200000000, -0.0026039300000000, 0.0017796000000000 ] - [ 0.0000340500000000, -0.0000166600000000, -0.0002943000000000 ] - [ 0.0024304900000000, -0.0000261000000000, 0.0004519500000000 ] - [ 0.0000346900000000, 0.0000970900000000, 0.0000915300000000 ] - [ -0.0001595400000000, 0.0000110500000000, -0.0000859400000000 ] - [ 0.0000560900000000, -0.0001145300000000, 0.0002645600000000 ] - [ -0.0002031000000000, -0.0003392300000000, -0.0001608600000000 ] - [ -0.0000719900000000, -0.0064005700000000, 0.0000000000000000 ] - [ -0.0001834200000000, 0.0003532800000000, 0.0001636600000000 ] - [ -0.0001834200000000, 0.0003532800000000, -0.0001636600000000 ] - [ 0.0059956200000000, -0.0007956700000000, 0.0005424400000000 ] - [ 0.0058833600000000, 0.0007391300000000, 0.0001904500000000 ] - [ 0.0001701800000000, 0.0012685300000000, -0.0008721100000000 ] - [ 0.0000941300000000, 0.0001559000000000, 0.0002268500000000 ] - [ -0.0113582200000000, 0.0001125400000000, 0.0000000000000000 ] - [ 0.0002472500000000, -0.0000054800000000, 0.0000096000000000 ] - [ 0.0000542200000000, -0.0001104900000000, -0.0000984300000000 ] - [ 0.0008807100000000, 0.0002026100000000, -0.0002005700000000 ] - [ 0.0003976200000000, 0.0000072300000000, -0.0001671800000000 ] - [ 0.0059956200000000, -0.0007956700000000, -0.0005424400000000 ] - [ -0.0005212300000000, 0.0003985100000000, 0.0004365000000000 ] - [ 0.0000340500000000, -0.0000166600000000, 0.0002943000000000 ] - [ 0.0008196900000000, -0.0003202400000000, -0.0003010000000000 ] - [ 0.0001496400000000, -0.0000353900000000, -0.0002687000000000 ] - [ -0.0037335700000000, -0.0002434500000000, -0.0034534500000000 ] - [ -0.0001582600000000, -0.0002724500000000, 0.0000000000000000 ] - [ -0.0006018200000000, -0.0003699700000000, -0.0004570800000000 ] - [ 0.0007865200000000, -0.0026039300000000, -0.0017796000000000 ] - [ 0.0008807100000000, 0.0002026100000000, 0.0002005700000000 ] - [ 0.0001496400000000, -0.0000353900000000, 0.0002687000000000 ] - [ -0.0001519500000000, 0.0000061100000000, -0.0000406700000000 ] - [ 0.0001176100000000, -0.0000996500000000, -0.0000431100000000 ] - [ -0.0030308400000000, -0.0016890500000000, 0.0023179800000000 ] - [ -0.0012393800000000, 0.0011151400000000, 0.0009903800000000 ] - [ 0.0072169100000000, -0.0001587100000000, -0.0004434400000000 ] - [ 0.0000560900000000, -0.0001145300000000, -0.0002645600000000 ] - [ 0.0002472500000000, -0.0000054800000000, -0.0000096000000000 ] - [ -0.0000090900000000, -0.0005838300000000, -0.0010871000000000 ] - [ -0.0002061400000000, -0.0001358900000000, -0.0000182600000000 ] - [ 0.0007078000000000, 0.0026898000000000, -0.0017708600000000 ] - [ -0.0001240600000000, -0.0006528100000000, -0.0002802800000000 ] - [ 0.0001701800000000, 0.0012685300000000, 0.0008721100000000 ] - [ -0.0002031000000000, -0.0003392300000000, 0.0001608600000000 ] - [ 0.0003976200000000, 0.0000072300000000, 0.0001671800000000 ] - [ -0.0001340400000000, 0.0006856000000000, -0.0003551300000000 ] - [ -0.0001340400000000, 0.0006856000000000, 0.0003551300000000 ] - [ -0.0037335700000000, -0.0002434500000000, 0.0034534500000000 ] - [ -0.0016007300000000, -0.0000086200000000, -0.0004213000000000 ] - [ -0.0014513900000000, -0.0010411300000000, 0.0009048700000000 ] - [ 0.0000261700000000, 0.0000963400000000, 0.0000382500000000 ] - [ 0.0058833600000000, 0.0007391300000000, -0.0001904500000000 ] - [ 0.0000261700000000, 0.0000963400000000, -0.0000382500000000 ] - [ -0.0002061400000000, -0.0001358900000000, 0.0000182600000000 ] - [ -0.0027430600000000, 0.0018984500000000, 0.0023080300000000 ] - [ 0.0003316900000000, 0.0000017400000000, 0.0000000000000000 ] - [ 0.0002330700000000, -0.0015036500000000, 0.0007771700000000 ] - [ -0.0000806000000000, 0.0066493400000000, 0.0000000000000000 ] - [ -0.0001170300000000, -0.0000531000000000, 0.0000623100000000 ] - [ 0.0072169100000000, -0.0001587100000000, 0.0004434400000000 ] - [ -0.0016007300000000, -0.0000086200000000, 0.0004213000000000 ] - [ -0.0001552200000000, 0.0008482600000000, 0.0015327600000000 ] - [ -0.0002018000000000, 0.0000849900000000, -0.0000348000000000 ] - [ -0.0001595400000000, 0.0000110500000000, 0.0000859400000000 ] - [ 0.0007078000000000, 0.0026898000000000, 0.0017708600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0303221900000000, -0.0008462000000000, 0.0000000000000000 ] - [ -0.0000070000000000, 0.0000000200000000, 0.0000000000000000 ] - [ 0.0000866900000000, 0.0002454200000000, -0.0000084600000000 ] - [ -0.0033313700000000, -0.0021800300000000, 0.0000000000000000 ] - [ -0.0029290300000000, 0.0024133500000000, 0.0000000000000000 ] - [ 0.0000048800000000, -0.0000067300000000, 0.0000000000000000 ] - [ 0.0000866900000000, 0.0002454200000000, 0.0000084600000000 ] - [ -0.0007630100000000, -0.0060844400000000, -0.0053546500000000 ] - [ -0.0001463900000000, 0.0001021200000000, -0.0000902700000000 ] - [ -0.0008927000000000, 0.0062607800000000, -0.0062559100000000 ] - [ 0.0007902700000000, 0.0015454400000000, -0.0000959900000000 ] - [ -0.0000096000000000, 0.0000426300000000, 0.0002077300000000 ] - [ -0.0008927000000000, 0.0062607800000000, 0.0062559100000000 ] - [ 0.0001461700000000, -0.0006504100000000, -0.0002808600000000 ] - [ -0.0013572000000000, 0.0019700300000000, -0.0008323400000000 ] - [ 0.0063266700000000, -0.0035175000000000, -0.0040125600000000 ] - [ -0.0002642500000000, 0.0002383300000000, -0.0001378600000000 ] - [ 0.0005014600000000, 0.0003917700000000, -0.0006775800000000 ] - [ -0.0001400800000000, -0.0002320400000000, 0.0000259100000000 ] - [ -0.0001935600000000, -0.0000125800000000, 0.0002938900000000 ] - [ 0.0002624500000000, -0.0000064300000000, 0.0002256500000000 ] - [ -0.0032611800000000, -0.0016113600000000, -0.0008328100000000 ] - [ -0.0002642500000000, 0.0002383300000000, 0.0001378600000000 ] - [ 0.0002829200000000, -0.0000106600000000, 0.0000240200000000 ] - [ -0.0003664200000000, 0.0000241100000000, -0.0004024300000000 ] - [ -0.0032611800000000, -0.0016113600000000, 0.0008328100000000 ] - [ -0.0007630100000000, -0.0060844400000000, 0.0053546500000000 ] - [ -0.0003017600000000, 0.0000358600000000, -0.0003563900000000 ] - [ 0.0003452100000000, -0.0004867400000000, 0.0006602400000000 ] - [ -0.0003149500000000, -0.0000516300000000, -0.0081385800000000 ] - [ 0.0001461700000000, -0.0006504100000000, 0.0002808600000000 ] - [ 0.0003375400000000, -0.0000649600000000, 0.0003517600000000 ] - [ -0.0030417200000000, 0.0012533600000000, -0.0007909800000000 ] - [ -0.0000256400000000, -0.0002184800000000, -0.0001053300000000 ] - [ -0.0009875700000000, -0.0019825700000000, -0.0008006500000000 ] - [ 0.0000400700000000, 0.0000025800000000, 0.0002089800000000 ] - [ 0.0061467700000000, 0.0039584800000000, -0.0042260000000000 ] - [ 0.0008692600000000, -0.0014599100000000, -0.0000667700000000 ] - [ -0.0010421700000000, 0.0000372800000000, -0.0015065300000000 ] - [ 0.0008692600000000, -0.0014599100000000, 0.0000667700000000 ] - [ -0.0000096000000000, 0.0000426300000000, -0.0002077300000000 ] - [ -0.0003149500000000, -0.0000516300000000, 0.0081385800000000 ] - [ 0.0002829200000000, -0.0000106600000000, -0.0000240200000000 ] - [ -0.0003017600000000, 0.0000358600000000, 0.0003563900000000 ] - [ -0.0030417200000000, 0.0012533600000000, 0.0007909800000000 ] - [ -0.0001935600000000, -0.0000125800000000, -0.0002938900000000 ] - [ 0.0002624500000000, -0.0000064300000000, -0.0002256500000000 ] - [ -0.0001463900000000, 0.0001021200000000, 0.0000902700000000 ] - [ -0.0013572000000000, 0.0019700300000000, 0.0008323400000000 ] - [ -0.0114514200000000, 0.0001008500000000, -0.0112927700000000 ] - [ 0.0000219400000000, 0.0000849700000000, 0.0002834700000000 ] - [ -0.0001133800000000, -0.0000039700000000, 0.0002867700000000 ] - [ 0.0000842600000000, -0.0000780400000000, -0.0002866400000000 ] - [ 0.0005014600000000, 0.0003917700000000, 0.0006775800000000 ] - [ -0.0000034500000000, -0.0000016900000000, -0.0002339100000000 ] - [ -0.0010421700000000, 0.0000372800000000, 0.0015065300000000 ] - [ 0.0063266700000000, -0.0035175000000000, 0.0040125600000000 ] - [ -0.0003664200000000, 0.0000241100000000, 0.0004024300000000 ] - [ 0.0000219400000000, 0.0000849700000000, -0.0002834700000000 ] - [ 0.0007902700000000, 0.0015454400000000, 0.0000959900000000 ] - [ -0.0009875700000000, -0.0019825700000000, 0.0008006500000000 ] - [ 0.0003452100000000, -0.0004867400000000, -0.0006602400000000 ] - [ 0.0003375400000000, -0.0000649600000000, -0.0003517600000000 ] - [ -0.0001133800000000, -0.0000039700000000, -0.0002867700000000 ] - [ 0.0000842600000000, -0.0000780400000000, 0.0002866400000000 ] - [ -0.0001400800000000, -0.0002320400000000, -0.0000259100000000 ] - [ -0.0000256400000000, -0.0002184800000000, 0.0001053300000000 ] - [ 0.0000400700000000, 0.0000025800000000, -0.0002089800000000 ] - [ 0.0061467700000000, 0.0039584800000000, 0.0042260000000000 ] - [ -0.0000034500000000, -0.0000016900000000, 0.0002339100000000 ] - [ -0.0114514200000000, 0.0001008500000000, 0.0112927700000000 ] - [ 0.0028081500000000, 0.0017847900000000, 0.0018831800000000 ] - [ -0.0023561100000000, -0.0000848900000000, -0.0004277500000000 ] - [ 0.0000405000000000, -0.0000755800000000, 0.0000866000000000 ] - [ -0.0002402000000000, 0.0000998400000000, -0.0000366900000000 ] - [ -0.0000001000000000, -0.0000223400000000, -0.0003114400000000 ] - [ 0.0003508700000000, 0.0006437400000000, -0.0013815500000000 ] - [ -0.0000199400000000, -0.0000013600000000, 0.0002473500000000 ] - [ 0.0001063700000000, 0.0004081200000000, -0.0011535500000000 ] - [ 0.0001187100000000, 0.0001849200000000, 0.0000000000000000 ] - [ -0.0002195100000000, 0.0000040600000000, 0.0000000000000000 ] - [ 0.0001820200000000, -0.0001259000000000, -0.0000140300000000 ] - [ 0.0000198200000000, -0.0001149300000000, 0.0000293500000000 ] - [ 0.0029347100000000, -0.0017437200000000, 0.0018681100000000 ] - [ 0.0014592400000000, 0.0012868300000000, 0.0013237100000000 ] - [ 0.0001451600000000, 0.0000163200000000, 0.0003367900000000 ] - [ -0.0004473500000000, 0.0013819000000000, 0.0011927800000000 ] - [ -0.0000001000000000, -0.0000223400000000, 0.0003114400000000 ] - [ 0.0002004000000000, 0.0001320100000000, 0.0000418900000000 ] - [ 0.0019242200000000, -0.0011155300000000, 0.0013585700000000 ] - [ 0.0005802900000000, -0.0002875800000000, -0.0004284300000000 ] - [ -0.0000499200000000, 0.0000595600000000, -0.0002021800000000 ] - [ 0.0004734300000000, 0.0003630200000000, 0.0004083100000000 ] - [ -0.0000526600000000, -0.0000444000000000, 0.0002001600000000 ] - [ 0.0001820200000000, -0.0001259000000000, 0.0000140300000000 ] - [ 0.0001544200000000, -0.0000057400000000, -0.0003597200000000 ] - [ -0.0000499200000000, 0.0000595600000000, 0.0002021800000000 ] - [ -0.0001612100000000, 0.0002767800000000, 0.0000000000000000 ] - [ 0.0001205600000000, -0.0003675900000000, -0.0013334100000000 ] - [ -0.0010263300000000, 0.0003078900000000, -0.0003608200000000 ] - [ 0.0000981500000000, -0.0001974900000000, 0.0000000000000000 ] - [ 0.0001205600000000, -0.0003675900000000, 0.0013334100000000 ] - [ 0.0001249900000000, 0.0000805900000000, -0.0000383600000000 ] - [ 0.0003508700000000, 0.0006437400000000, 0.0013815500000000 ] - [ -0.0000199400000000, -0.0000013600000000, -0.0002473500000000 ] - [ 0.0002690900000000, -0.0006698100000000, 0.0014601100000000 ] - [ -0.0001151200000000, 0.0000040700000000, -0.0000654600000000 ] - [ 0.0002004000000000, 0.0001320100000000, -0.0000418900000000 ] - [ 0.0002232500000000, 0.0008355000000000, -0.0002105700000000 ] - [ -0.0000526600000000, -0.0000444000000000, -0.0002001600000000 ] - [ -0.0005123400000000, 0.0025950300000000, -0.0017614000000000 ] - [ 0.0000011000000000, 0.0000173200000000, -0.0002448000000000 ] - [ -0.0023561100000000, -0.0000848900000000, 0.0004277500000000 ] - [ 0.0001249900000000, 0.0000805900000000, 0.0000383600000000 ] - [ -0.0000712700000000, 0.0000381300000000, -0.0000443700000000 ] - [ -0.0000570300000000, 0.0001159700000000, 0.0000567800000000 ] - [ -0.0002008200000000, -0.0003603500000000, -0.0001582100000000 ] - [ 0.0000147700000000, 0.0063691900000000, 0.0000000000000000 ] - [ -0.0002265400000000, 0.0003409100000000, 0.0001536300000000 ] - [ -0.0002265400000000, 0.0003409100000000, -0.0001536300000000 ] - [ -0.0063476700000000, 0.0014426800000000, -0.0002426600000000 ] - [ -0.0056914500000000, -0.0009133700000000, 0.0001509500000000 ] - [ -0.0005166000000000, -0.0018546400000000, 0.0012357100000000 ] - [ -0.0002402000000000, 0.0000998400000000, 0.0000366900000000 ] - [ 0.0113750700000000, -0.0001125500000000, 0.0000000000000000 ] - [ -0.0001324300000000, 0.0000083000000000, 0.0003600800000000 ] - [ 0.0000198200000000, -0.0001149300000000, -0.0000293500000000 ] - [ -0.0009310000000000, -0.0001958900000000, 0.0001104600000000 ] - [ 0.0004084300000000, -0.0000152800000000, -0.0001499500000000 ] - [ -0.0063476700000000, 0.0014426800000000, 0.0002426600000000 ] - [ 0.0005802900000000, -0.0002875800000000, 0.0004284300000000 ] - [ 0.0000011000000000, 0.0000173200000000, 0.0002448000000000 ] - [ -0.0010263300000000, 0.0003078900000000, 0.0003608200000000 ] - [ -0.0002108600000000, -0.0000564400000000, -0.0000984100000000 ] - [ 0.0036018000000000, 0.0000177900000000, 0.0035043900000000 ] - [ -0.0001614900000000, -0.0002812400000000, 0.0000000000000000 ] - [ 0.0004734300000000, 0.0003630200000000, -0.0004083100000000 ] - [ -0.0005123400000000, 0.0025950300000000, 0.0017614000000000 ] - [ -0.0009310000000000, -0.0001958900000000, -0.0001104600000000 ] - [ -0.0002108600000000, -0.0000564400000000, 0.0000984100000000 ] - [ 0.0001544200000000, -0.0000057400000000, 0.0003597200000000 ] - [ 0.0000405000000000, -0.0000755800000000, -0.0000866000000000 ] - [ 0.0028081500000000, 0.0017847900000000, -0.0018831800000000 ] - [ 0.0019242200000000, -0.0011155300000000, -0.0013585700000000 ] - [ -0.0070564300000000, -0.0000814400000000, 0.0001710800000000 ] - [ -0.0000570300000000, 0.0001159700000000, -0.0000567800000000 ] - [ -0.0001324300000000, 0.0000083000000000, -0.0003600800000000 ] - [ 0.0001063700000000, 0.0004081200000000, 0.0011535500000000 ] - [ 0.0000570600000000, -0.0001192900000000, 0.0002835000000000 ] - [ -0.0008223600000000, -0.0024594000000000, 0.0017529400000000 ] - [ 0.0002232500000000, 0.0008355000000000, 0.0002105700000000 ] - [ -0.0005166000000000, -0.0018546400000000, -0.0012357100000000 ] - [ -0.0002008200000000, -0.0003603500000000, 0.0001582100000000 ] - [ 0.0004084300000000, -0.0000152800000000, 0.0001499500000000 ] - [ 0.0001634500000000, -0.0007345800000000, 0.0004380600000000 ] - [ 0.0001634500000000, -0.0007345800000000, -0.0004380600000000 ] - [ 0.0036018000000000, 0.0000177900000000, -0.0035043900000000 ] - [ 0.0013910800000000, 0.0000130600000000, 0.0005004600000000 ] - [ 0.0014592400000000, 0.0012868300000000, -0.0013237100000000 ] - [ 0.0000475400000000, 0.0001309500000000, 0.0000913300000000 ] - [ -0.0056914500000000, -0.0009133700000000, -0.0001509500000000 ] - [ 0.0000475400000000, 0.0001309500000000, -0.0000913300000000 ] - [ 0.0000570600000000, -0.0001192900000000, -0.0002835000000000 ] - [ 0.0029347100000000, -0.0017437200000000, -0.0018681100000000 ] - [ 0.0003209400000000, 0.0000014600000000, 0.0000000000000000 ] - [ -0.0004473500000000, 0.0013819000000000, -0.0011927800000000 ] - [ 0.0000176300000000, -0.0066153900000000, 0.0000000000000000 ] - [ -0.0001151200000000, 0.0000040700000000, 0.0000654600000000 ] - [ -0.0070564300000000, -0.0000814400000000, -0.0001710800000000 ] - [ 0.0013910800000000, 0.0000130600000000, -0.0005004600000000 ] - [ 0.0002690900000000, -0.0006698100000000, -0.0014601100000000 ] - [ 0.0001451600000000, 0.0000163200000000, -0.0003367900000000 ] - [ -0.0000712700000000, 0.0000381300000000, 0.0000443700000000 ] - [ -0.0008223600000000, -0.0024594000000000, -0.0017529400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000530300000000, -0.0000918400000000, -0.0921870900000000 ] - [ 0.0000001300000000, 0.0000000600000000, 0.0036731300000000 ] - [ 0.0002800000000000, -0.0004849800000000, 0.0029822200000000 ] - [ -0.0000583400000000, 0.0000000700000000, -0.0106362300000000 ] - [ 0.0000291100000000, 0.0000505600000000, -0.0106362300000000 ] - [ -0.0000001200000000, -0.0000000800000000, 0.0036731300000000 ] - [ -0.0002813400000000, 0.0004873000000000, 0.0025784400000000 ] - [ 0.0062424500000000, 0.0111175700000000, -0.0085583000000000 ] - [ -0.0002768100000000, 0.0001243300000000, 0.0030774800000000 ] - [ 0.0067413900000000, -0.0116764300000000, -0.0090218000000000 ] - [ 0.0005252800000000, 0.0024592300000000, 0.0002547100000000 ] - [ 0.0000570200000000, -0.0000987600000000, 0.0032511200000000 ] - [ -0.0067626300000000, 0.0117132200000000, -0.0082501700000000 ] - [ 0.0007363500000000, 0.0012798600000000, 0.0036291200000000 ] - [ 0.0021524600000000, -0.0008052200000000, 0.0001657700000000 ] - [ 0.0053631500000000, 0.0087003800000000, 0.0141036700000000 ] - [ 0.0000307300000000, 0.0003018900000000, 0.0030774800000000 ] - [ 0.0004801400000000, -0.0008316200000000, 0.0028020800000000 ] - [ -0.0005686900000000, -0.0001675700000000, 0.0032909600000000 ] - [ 0.0000215900000000, -0.0000106600000000, 0.0024441200000000 ] - [ 0.0000906800000000, -0.0003418600000000, 0.0034883000000000 ] - [ 0.0016573100000000, 0.0013855400000000, 0.0001334000000000 ] - [ -0.0002310700000000, 0.0001836200000000, 0.0032745300000000 ] - [ 0.0000143100000000, -0.0001452100000000, 0.0032301900000000 ] - [ 0.0009115300000000, 0.0000797500000000, 0.0034220800000000 ] - [ -0.0019410900000000, -0.0018731900000000, 0.0002242800000000 ] - [ -0.0062619500000000, -0.0111543900000000, -0.0089687600000000 ] - [ -0.0001565100000000, 0.0000214000000000, 0.0017879000000000 ] - [ -0.0005248300000000, -0.0007495300000000, 0.0034220800000000 ] - [ 0.0098724900000000, 0.0003186000000000, 0.0140513200000000 ] - [ -0.0007402900000000, -0.0012816400000000, 0.0030010900000000 ] - [ -0.0000932300000000, 0.0001614800000000, 0.0053743000000000 ] - [ 0.0019420500000000, -0.0017532200000000, 0.0002534100000000 ] - [ 0.0001186000000000, -0.0000850000000000, 0.0032301900000000 ] - [ 0.0025927700000000, 0.0007444400000000, 0.0002242800000000 ] - [ -0.0001024000000000, 0.0000391300000000, 0.0032792100000000 ] - [ 0.0050193200000000, -0.0086937200000000, 0.0145757400000000 ] - [ 0.0005473100000000, -0.0025584800000000, 0.0002534100000000 ] - [ 0.0014800800000000, 0.0000002900000000, 0.0030010900000000 ] - [ -0.0004471700000000, 0.0023435000000000, 0.0001648800000000 ] - [ -0.0000791900000000, 0.0001371600000000, 0.0028246100000000 ] - [ -0.0102163300000000, -0.0002944300000000, 0.0141036700000000 ] - [ 0.0005079900000000, 0.0000753100000000, 0.0034273200000000 ] - [ -0.0000015600000000, -0.0000240300000000, 0.0024441200000000 ] - [ -0.0018059400000000, 0.0015590100000000, 0.0001648800000000 ] - [ 0.0000597200000000, 0.0001462400000000, 0.0017879000000000 ] - [ 0.0004294700000000, 0.0004087200000000, 0.0032909600000000 ] - [ -0.0000434900000000, 0.0002919200000000, 0.0032745300000000 ] - [ -0.0023923900000000, 0.0007747100000000, 0.0002547100000000 ] - [ 0.0127909600000000, -0.0001541900000000, -0.0089687600000000 ] - [ 0.0001020500000000, 0.0001787300000000, 0.0034657000000000 ] - [ -0.0002058100000000, 0.0000009800000000, 0.0034657000000000 ] - [ -0.0000080300000000, 0.0000139000000000, 0.0030091400000000 ] - [ -0.0004106500000000, 0.0007112700000000, 0.0034294900000000 ] - [ -0.0000415900000000, -0.0001430900000000, 0.0028538000000000 ] - [ -0.0014765700000000, 0.0000022400000000, 0.0036291200000000 ] - [ -0.0052121600000000, -0.0083905300000000, 0.0140513200000000 ] - [ -0.0008489300000000, 0.0000361500000000, 0.0027950400000000 ] - [ -0.0000070000000000, -0.0000136600000000, 0.0028986200000000 ] - [ -0.0003788900000000, -0.0022666900000000, 0.0001657700000000 ] - [ -0.0020285700000000, -0.0007425100000000, 0.0001334000000000 ] - [ 0.0003931600000000, 0.0007532700000000, 0.0027950400000000 ] - [ 0.0001735200000000, -0.0003005500000000, 0.0047342500000000 ] - [ 0.0000153300000000, -0.0000007600000000, 0.0028986200000000 ] - [ 0.0001034300000000, -0.0001791500000000, 0.0035756300000000 ] - [ 0.0002507200000000, -0.0002494600000000, 0.0034883000000000 ] - [ -0.0003192100000000, -0.0004022800000000, 0.0034273200000000 ] - [ 0.0001447200000000, -0.0000355200000000, 0.0028538000000000 ] - [ -0.0052430400000000, 0.0090812100000000, 0.0143343100000000 ] - [ 0.0000173100000000, 0.0001082500000000, 0.0032792100000000 ] - [ -0.0127493200000000, 0.0001526600000000, -0.0085583000000000 ] - [ -0.0019037500000000, -0.0008451500000000, 0.0024417900000000 ] - [ 0.0001520600000000, -0.0002633800000000, -0.0072516700000000 ] - [ 0.0002360700000000, 0.0001605500000000, -0.0022416200000000 ] - [ -0.0003235100000000, 0.0005603400000000, -0.0026548900000000 ] - [ -0.0001707200000000, -0.0004606800000000, -0.0023311200000000 ] - [ 0.0014623400000000, 0.0011032000000000, -0.0024118400000000 ] - [ 0.0002904000000000, -0.0005029900000000, -0.0018138500000000 ] - [ 0.0018005400000000, 0.0005380300000000, -0.0024762200000000 ] - [ 0.0001107800000000, 0.0001905600000000, -0.0028816400000000 ] - [ -0.0002204200000000, -0.0000006600000000, -0.0028816400000000 ] - [ -0.0001547300000000, -0.0001464600000000, -0.0019903800000000 ] - [ -0.0002570800000000, -0.0001241700000000, -0.0022416200000000 ] - [ -0.0017451600000000, 0.0009706800000000, 0.0024559800000000 ] - [ -0.0016673100000000, -0.0009798500000000, 0.0028411100000000 ] - [ -0.0005051400000000, -0.0000350900000000, -0.0016186700000000 ] - [ -0.0002455500000000, -0.0020980600000000, 0.0028568300000000 ] - [ 0.0001537500000000, 0.0004308600000000, -0.0017919500000000 ] - [ 0.0000587500000000, -0.0001839500000000, -0.0021365600000000 ] - [ -0.0013485900000000, 0.0012254700000000, 0.0029165200000000 ] - [ -0.0000240800000000, 0.0000400200000000, -0.0007647600000000 ] - [ -0.0003433900000000, -0.0003222200000000, -0.0019886700000000 ] - [ -0.0001018000000000, -0.0000419200000000, 0.0001118700000000 ] - [ -0.0002561000000000, -0.0001607800000000, -0.0016215800000000 ] - [ 0.0002672900000000, 0.0001414000000000, -0.0016215800000000 ] - [ 0.0001757000000000, -0.0000147000000000, -0.0026364900000000 ] - [ 0.0002829600000000, 0.0004199200000000, -0.0016186700000000 ] - [ -0.0001630300000000, 0.0002823800000000, -0.0027557700000000 ] - [ 0.0018529800000000, -0.0005058600000000, -0.0025283100000000 ] - [ -0.0005778800000000, 0.0019174700000000, -0.0026121400000000 ] - [ 0.0001117600000000, -0.0001935800000000, -0.0029366100000000 ] - [ -0.0018170800000000, 0.0005545600000000, -0.0026138300000000 ] - [ -0.0001016100000000, 0.0003956000000000, -0.0022797900000000 ] - [ -0.0013662100000000, -0.0012903000000000, -0.0024762200000000 ] - [ -0.0003083700000000, 0.0005341100000000, -0.0023540900000000 ] - [ -0.0013716400000000, 0.0014591900000000, -0.0026121400000000 ] - [ -0.0002918000000000, 0.0002858000000000, -0.0022797900000000 ] - [ 0.0002358200000000, 0.0001835500000000, -0.0018725700000000 ] - [ 0.0004205800000000, 0.0006252400000000, -0.0011309400000000 ] - [ 0.0002042000000000, 0.0000607700000000, -0.0019903800000000 ] - [ 0.0025278300000000, 0.0040222900000000, -0.0006183600000000 ] - [ 0.0004843200000000, -0.0000824900000000, -0.0023311200000000 ] - [ -0.0000897700000000, 0.0001554900000000, -0.0064148700000000 ] - [ 0.0002604000000000, -0.0002180900000000, -0.0021503500000000 ] - [ -0.0002960100000000, -0.0002843700000000, -0.0022801000000000 ] - [ 0.0000747300000000, 0.0001605500000000, -0.0023158200000000 ] - [ -0.0002052500000000, -0.0003597000000000, -0.0017406900000000 ] - [ -0.0000130300000000, -0.0000228300000000, 0.0136963300000000 ] - [ -0.0001784200000000, 0.0003090300000000, -0.0014677500000000 ] - [ -0.0002244300000000, 0.0003887300000000, -0.0017843500000000 ] - [ -0.0012973100000000, 0.0022470100000000, 0.0067281500000000 ] - [ -0.0016049700000000, -0.0032245900000000, 0.0049166100000000 ] - [ -0.0003870000000000, 0.0017806500000000, 0.0029165200000000 ] - [ 0.0001744600000000, -0.0003021700000000, -0.0023877400000000 ] - [ 0.0000262900000000, -0.0000001300000000, 0.0136963300000000 ] - [ -0.0004434800000000, -0.0004160200000000, -0.0022322100000000 ] - [ 0.0003303400000000, -0.0001007600000000, -0.0023717400000000 ] - [ 0.0004282800000000, 0.0018509200000000, -0.0026138300000000 ] - [ 0.0004141400000000, -0.0000021000000000, -0.0017406900000000 ] - [ 0.0008199200000000, -0.0014201500000000, 0.0068618600000000 ] - [ 0.0000872000000000, 0.0000672000000000, 0.0001118700000000 ] - [ -0.0004500100000000, 0.0000822800000000, -0.0017919500000000 ] - [ 0.0003687200000000, -0.0019167000000000, -0.0025462700000000 ] - [ -0.0006459300000000, -0.0002740900000000, -0.0026046200000000 ] - [ -0.0047473200000000, -0.0001780200000000, -0.0006183600000000 ] - [ -0.0001619100000000, -0.0002789700000000, -0.0027610600000000 ] - [ -0.0000226200000000, 0.0000408600000000, -0.0007647600000000 ] - [ -0.0022801900000000, -0.0040436100000000, -0.0006191300000000 ] - [ -0.0004884000000000, -0.0018576600000000, -0.0025283100000000 ] - [ 0.0005820200000000, 0.0001760500000000, -0.0022322100000000 ] - [ -0.0001764000000000, 0.0000155600000000, -0.0023158200000000 ] - [ -0.0000779200000000, -0.0003364600000000, -0.0023717400000000 ] - [ 0.0016822300000000, 0.0009540100000000, 0.0028411100000000 ] - [ 0.0020466900000000, -0.0012283900000000, 0.0025671200000000 ] - [ -0.0033692600000000, -0.0000144100000000, 0.0049418800000000 ] - [ -0.0000751200000000, -0.0001595100000000, -0.0026364900000000 ] - [ 0.0005603300000000, 0.0004223500000000, -0.0026046200000000 ] - [ -0.0016865700000000, -0.0007148200000000, -0.0024118400000000 ] - [ -0.0002768700000000, -0.0001124500000000, -0.0018725700000000 ] - [ -0.0025349100000000, 0.0043906000000000, -0.0006266200000000 ] - [ -0.0003210700000000, -0.0004422300000000, -0.0011950800000000 ] - [ 0.0000404800000000, -0.0023866800000000, 0.0025671200000000 ] - [ -0.0001946000000000, -0.0003411200000000, -0.0014231000000000 ] - [ 0.0003927200000000, -0.0000020300000000, -0.0014231000000000 ] - [ -0.0004292500000000, 0.0007434800000000, -0.0012976500000000 ] - [ 0.0004574300000000, -0.0007922900000000, -0.0013856500000000 ] - [ 0.0046419700000000, -0.0000471000000000, -0.0006191300000000 ] - [ -0.0007517700000000, -0.0000516200000000, -0.0011309400000000 ] - [ 0.0016838000000000, 0.0012261200000000, 0.0024417900000000 ] - [ -0.0003205500000000, 0.0001117000000000, -0.0021494800000000 ] - [ 0.0016971100000000, 0.0029106600000000, 0.0049418800000000 ] - [ 0.0003942800000000, 0.0001141700000000, -0.0022801000000000 ] - [ 0.0001299300000000, -0.0001428600000000, -0.0021365600000000 ] - [ 0.0019397500000000, -0.0008363800000000, 0.0028568300000000 ] - [ 0.0003225500000000, 0.0000007400000000, -0.0027610600000000 ] - [ 0.0000319500000000, 0.0019966900000000, 0.0024559800000000 ] - [ -0.0000130000000000, 0.0000225200000000, 0.0140842000000000 ] - [ 0.0000586700000000, -0.0003345600000000, -0.0021503500000000 ] - [ 0.0035950600000000, -0.0002223500000000, 0.0049166100000000 ] - [ 0.0005435200000000, 0.0000569400000000, -0.0011950800000000 ] - [ 0.0014755600000000, -0.0012776700000000, -0.0025462700000000 ] - [ 0.0004507500000000, 0.0001362800000000, -0.0019886700000000 ] - [ 0.0000635400000000, 0.0003334600000000, -0.0021494800000000 ] - [ 0.0023928700000000, -0.0041445700000000, -0.0006263800000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000362800000000, -0.0000501900000000, 0.0000000000000000 ] - [ -0.0338724800000000, 0.0000957300000000, 0.0000000000000000 ] - [ 0.0004266400000000, -0.0000731100000000, 0.0002042600000000 ] - [ -0.0000627300000000, 0.0000071900000000, 0.0000000000000000 ] - [ 0.0000246700000000, 0.0000444700000000, 0.0000000000000000 ] - [ 0.0044317800000000, 0.0020894100000000, 0.0000000000000000 ] - [ 0.0004266400000000, -0.0000731100000000, -0.0002042600000000 ] - [ 0.0000219200000000, 0.0000041900000000, 0.0001686100000000 ] - [ -0.0006200200000000, -0.0010830800000000, -0.0000366800000000 ] - [ 0.0000215800000000, -0.0000077800000000, -0.0004223400000000 ] - [ 0.0000578200000000, 0.0001897300000000, 0.0000317200000000 ] - [ -0.0008020600000000, 0.0025757200000000, 0.0010755800000000 ] - [ 0.0000215800000000, -0.0000077800000000, 0.0004223400000000 ] - [ 0.0001826100000000, -0.0000305700000000, 0.0003137900000000 ] - [ -0.0001938900000000, 0.0000157300000000, -0.0000553500000000 ] - [ 0.0000209400000000, 0.0000799700000000, 0.0000751300000000 ] - [ -0.0000576800000000, 0.0005150900000000, 0.0058764700000000 ] - [ -0.0004221500000000, 0.0003969200000000, 0.0000156300000000 ] - [ -0.0054088100000000, -0.0035911800000000, -0.0033393000000000 ] - [ -0.0000532700000000, -0.0004720600000000, 0.0009186900000000 ] - [ 0.0032134300000000, -0.0009845200000000, -0.0006511800000000 ] - [ -0.0001351600000000, -0.0002682300000000, 0.0000511500000000 ] - [ -0.0000576800000000, 0.0005150900000000, -0.0058764700000000 ] - [ -0.0054854600000000, 0.0030307100000000, -0.0028505500000000 ] - [ 0.0004484200000000, 0.0000896200000000, 0.0008889100000000 ] - [ -0.0001351600000000, -0.0002682300000000, -0.0000511500000000 ] - [ 0.0000219200000000, 0.0000041900000000, -0.0001686100000000 ] - [ -0.0001547400000000, 0.0005363200000000, -0.0008260900000000 ] - [ -0.0004534100000000, -0.0005140200000000, 0.0000671000000000 ] - [ 0.0000309400000000, 0.0000150100000000, 0.0000504300000000 ] - [ 0.0001826100000000, -0.0000305700000000, -0.0003137900000000 ] - [ 0.0008946500000000, -0.0000853200000000, -0.0007683600000000 ] - [ 0.0000740400000000, -0.0000634800000000, 0.0001402600000000 ] - [ 0.0009065600000000, 0.0015609500000000, -0.0008971900000000 ] - [ 0.0002185600000000, -0.0000271600000000, 0.0000401300000000 ] - [ 0.0026389700000000, -0.0035516000000000, 0.0031179500000000 ] - [ -0.0001670700000000, 0.0002707700000000, 0.0001603800000000 ] - [ 0.0000416600000000, -0.0002103900000000, 0.0000390000000000 ] - [ -0.0002713300000000, 0.0000029200000000, -0.0003106500000000 ] - [ 0.0000416600000000, -0.0002103900000000, -0.0000390000000000 ] - [ -0.0008020600000000, 0.0025757200000000, -0.0010755800000000 ] - [ 0.0000309400000000, 0.0000150100000000, -0.0000504300000000 ] - [ -0.0054854600000000, 0.0030307100000000, 0.0028505500000000 ] - [ -0.0001547400000000, 0.0005363200000000, 0.0008260900000000 ] - [ 0.0000740400000000, -0.0000634800000000, -0.0001402600000000 ] - [ -0.0000532700000000, -0.0004720600000000, -0.0009186900000000 ] - [ 0.0032134300000000, -0.0009845200000000, 0.0006511800000000 ] - [ -0.0006200200000000, -0.0010830800000000, 0.0000366800000000 ] - [ -0.0001938900000000, 0.0000157300000000, 0.0000553500000000 ] - [ -0.0000379500000000, -0.0000021900000000, -0.0001684700000000 ] - [ 0.0012080700000000, -0.0087221100000000, 0.0079688200000000 ] - [ 0.0002429000000000, 0.0066970500000000, 0.0051093800000000 ] - [ 0.0141716800000000, -0.0004335800000000, 0.0121299800000000 ] - [ -0.0004221500000000, 0.0003969200000000, -0.0000156300000000 ] - [ 0.0062050800000000, 0.0024399800000000, 0.0035882400000000 ] - [ -0.0002713300000000, 0.0000029200000000, 0.0003106500000000 ] - [ 0.0000209400000000, 0.0000799700000000, -0.0000751300000000 ] - [ 0.0004484200000000, 0.0000896200000000, -0.0008889100000000 ] - [ 0.0012080700000000, -0.0087221100000000, -0.0079688200000000 ] - [ 0.0000578200000000, 0.0001897300000000, -0.0000317200000000 ] - [ 0.0002185600000000, -0.0000271600000000, -0.0000401300000000 ] - [ -0.0004534100000000, -0.0005140200000000, -0.0000671000000000 ] - [ 0.0008946500000000, -0.0000853200000000, 0.0007683600000000 ] - [ 0.0002429000000000, 0.0066970500000000, -0.0051093800000000 ] - [ 0.0141716800000000, -0.0004335800000000, -0.0121299800000000 ] - [ -0.0054088100000000, -0.0035911800000000, 0.0033393000000000 ] - [ 0.0009065600000000, 0.0015609500000000, 0.0008971900000000 ] - [ 0.0026389700000000, -0.0035516000000000, -0.0031179500000000 ] - [ -0.0001670700000000, 0.0002707700000000, -0.0001603800000000 ] - [ 0.0062050800000000, 0.0024399800000000, -0.0035882400000000 ] - [ -0.0000379500000000, -0.0000021900000000, 0.0001684700000000 ] - [ -0.0000730800000000, 0.0000466900000000, -0.0001923900000000 ] - [ -0.0000944400000000, -0.0000703700000000, -0.0002340100000000 ] - [ -0.0028097100000000, -0.0014965100000000, 0.0023513900000000 ] - [ -0.0002642300000000, -0.0006005900000000, -0.0014565000000000 ] - [ -0.0026541200000000, 0.0003852500000000, 0.0023443200000000 ] - [ 0.0002050700000000, -0.0000647700000000, 0.0001165700000000 ] - [ 0.0005629000000000, -0.0019938400000000, 0.0013373800000000 ] - [ -0.0000712700000000, -0.0000806200000000, 0.0000820400000000 ] - [ -0.0001868900000000, 0.0055933000000000, 0.0000000000000000 ] - [ 0.0026073300000000, -0.0038492900000000, 0.0000000000000000 ] - [ 0.0008434800000000, 0.0002884800000000, 0.0002409900000000 ] - [ 0.0046313100000000, 0.0000522700000000, 0.0052860400000000 ] - [ 0.0001363700000000, 0.0000752300000000, -0.0001923000000000 ] - [ -0.0000009000000000, 0.0001340000000000, 0.0001846700000000 ] - [ -0.0001083500000000, -0.0002566200000000, -0.0006928800000000 ] - [ -0.0001092500000000, -0.0000817900000000, 0.0002070200000000 ] - [ -0.0026541200000000, 0.0003852500000000, -0.0023443200000000 ] - [ 0.0008956200000000, -0.0002601600000000, 0.0001557500000000 ] - [ 0.0003392400000000, -0.0000090000000000, 0.0001630600000000 ] - [ 0.0000603400000000, 0.0001358100000000, -0.0005381700000000 ] - [ -0.0001026800000000, 0.0005753600000000, -0.0002134600000000 ] - [ -0.0000260400000000, -0.0001005800000000, 0.0005320100000000 ] - [ -0.0001941800000000, -0.0006127300000000, 0.0003130000000000 ] - [ 0.0008434800000000, 0.0002884800000000, -0.0002409900000000 ] - [ 0.0020709000000000, 0.0000242400000000, -0.0001567500000000 ] - [ -0.0001026800000000, 0.0005753600000000, 0.0002134600000000 ] - [ 0.0007420600000000, -0.0029876700000000, 0.0000000000000000 ] - [ -0.0001049500000000, 0.0000361700000000, 0.0001440200000000 ] - [ -0.0001715500000000, -0.0001199000000000, -0.0001867900000000 ] - [ -0.0069228200000000, -0.0021738500000000, 0.0000000000000000 ] - [ -0.0001049500000000, 0.0000361700000000, -0.0001440200000000 ] - [ 0.0051967800000000, 0.0002611900000000, 0.0027603400000000 ] - [ 0.0002050700000000, -0.0000647700000000, -0.0001165700000000 ] - [ 0.0005629000000000, -0.0019938400000000, -0.0013373800000000 ] - [ 0.0002121100000000, 0.0000612700000000, -0.0001111000000000 ] - [ -0.0000697500000000, -0.0013236100000000, 0.0007430700000000 ] - [ 0.0008956200000000, -0.0002601600000000, -0.0001557500000000 ] - [ 0.0000635000000000, 0.0000918400000000, -0.0000031500000000 ] - [ -0.0001941800000000, -0.0006127300000000, -0.0003130000000000 ] - [ 0.0001460000000000, 0.0000137300000000, 0.0000258600000000 ] - [ 0.0010583300000000, 0.0019852300000000, -0.0017906400000000 ] - [ -0.0000944400000000, -0.0000703700000000, 0.0002340100000000 ] - [ 0.0051967800000000, 0.0002611900000000, -0.0027603400000000 ] - [ 0.0047898600000000, -0.0001764200000000, 0.0022560800000000 ] - [ -0.0005253000000000, -0.0003282500000000, 0.0001623400000000 ] - [ 0.0001437200000000, 0.0019779500000000, -0.0002029100000000 ] - [ -0.0000091100000000, -0.0000054000000000, 0.0000000000000000 ] - [ -0.0044472800000000, 0.0019487100000000, -0.0005445000000000 ] - [ -0.0044472800000000, 0.0019487100000000, 0.0005445000000000 ] - [ -0.0002106600000000, 0.0003178100000000, 0.0002075600000000 ] - [ 0.0000602800000000, -0.0000803200000000, 0.0002324000000000 ] - [ -0.0001746700000000, -0.0002734100000000, 0.0001797300000000 ] - [ -0.0002642300000000, -0.0006005900000000, 0.0014565000000000 ] - [ 0.0000139600000000, -0.0000013400000000, 0.0000000000000000 ] - [ -0.0010070300000000, 0.0000679400000000, 0.0000229500000000 ] - [ 0.0046313100000000, 0.0000522700000000, -0.0052860400000000 ] - [ -0.0000611900000000, 0.0001514600000000, 0.0000984600000000 ] - [ -0.0009097300000000, -0.0020133700000000, -0.0008340700000000 ] - [ -0.0002106600000000, 0.0003178100000000, -0.0002075600000000 ] - [ 0.0000603400000000, 0.0001358100000000, 0.0005381700000000 ] - [ 0.0010583300000000, 0.0019852300000000, 0.0017906400000000 ] - [ -0.0001715500000000, -0.0001199000000000, 0.0001867900000000 ] - [ -0.0002004100000000, 0.0007036000000000, -0.0014922500000000 ] - [ -0.0000770100000000, -0.0001139800000000, -0.0000300800000000 ] - [ -0.0086295400000000, -0.0022749100000000, 0.0000000000000000 ] - [ -0.0000260400000000, -0.0001005800000000, -0.0005320100000000 ] - [ 0.0001460000000000, 0.0000137300000000, -0.0000258600000000 ] - [ -0.0000611900000000, 0.0001514600000000, -0.0000984600000000 ] - [ -0.0002004100000000, 0.0007036000000000, 0.0014922500000000 ] - [ 0.0020709000000000, 0.0000242400000000, 0.0001567500000000 ] - [ -0.0028097100000000, -0.0014965100000000, -0.0023513900000000 ] - [ -0.0000730800000000, 0.0000466900000000, 0.0001923900000000 ] - [ 0.0003392400000000, -0.0000090000000000, -0.0001630600000000 ] - [ 0.0000289300000000, -0.0001194900000000, -0.0002397300000000 ] - [ -0.0005253000000000, -0.0003282500000000, -0.0001623400000000 ] - [ -0.0010070300000000, 0.0000679400000000, -0.0000229500000000 ] - [ -0.0000712700000000, -0.0000806200000000, -0.0000820400000000 ] - [ -0.0001909000000000, 0.0001919700000000, -0.0009028900000000 ] - [ -0.0000499700000000, 0.0000939800000000, -0.0000247500000000 ] - [ 0.0000635000000000, 0.0000918400000000, 0.0000031500000000 ] - [ -0.0001746700000000, -0.0002734100000000, -0.0001797300000000 ] - [ 0.0001437200000000, 0.0019779500000000, 0.0002029100000000 ] - [ -0.0009097300000000, -0.0020133700000000, 0.0008340700000000 ] - [ 0.0000602800000000, -0.0000212300000000, 0.0000811300000000 ] - [ 0.0000602800000000, -0.0000212300000000, -0.0000811300000000 ] - [ -0.0000770100000000, -0.0001139800000000, 0.0000300800000000 ] - [ 0.0000029700000000, 0.0000001400000000, -0.0001239500000000 ] - [ -0.0000009000000000, 0.0001340000000000, -0.0001846700000000 ] - [ -0.0014765900000000, 0.0012995700000000, -0.0014242000000000 ] - [ 0.0000602800000000, -0.0000803200000000, -0.0002324000000000 ] - [ -0.0014765900000000, 0.0012995700000000, 0.0014242000000000 ] - [ -0.0001909000000000, 0.0001919700000000, 0.0009028900000000 ] - [ 0.0001363700000000, 0.0000752300000000, 0.0001923000000000 ] - [ -0.0023366900000000, 0.0054629800000000, 0.0000000000000000 ] - [ -0.0001092500000000, -0.0000817900000000, -0.0002070200000000 ] - [ -0.0000082900000000, 0.0000042800000000, 0.0000000000000000 ] - [ -0.0000697500000000, -0.0013236100000000, -0.0007430700000000 ] - [ 0.0000289300000000, -0.0001194900000000, 0.0002397300000000 ] - [ 0.0000029700000000, 0.0000001400000000, 0.0001239500000000 ] - [ 0.0002121100000000, 0.0000612700000000, 0.0001111000000000 ] - [ -0.0001083500000000, -0.0002566200000000, 0.0006928800000000 ] - [ 0.0047898600000000, -0.0001764200000000, -0.0022560800000000 ] - [ -0.0000499700000000, 0.0000939800000000, 0.0000247500000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000220200000000, -0.0000499400000000, 0.0000000000000000 ] - [ 0.0345528100000000, 0.0000954700000000, 0.0000000000000000 ] - [ -0.0004277400000000, 0.0000765800000000, 0.0002041800000000 ] - [ -0.0000531600000000, -0.0000067000000000, 0.0000000000000000 ] - [ 0.0000345800000000, 0.0000582900000000, 0.0000000000000000 ] - [ -0.0044390400000000, -0.0021296500000000, 0.0000000000000000 ] - [ -0.0004277400000000, 0.0000765800000000, -0.0002041800000000 ] - [ -0.0000288100000000, -0.0000063900000000, 0.0001684800000000 ] - [ 0.0003054600000000, 0.0014926400000000, -0.0001598100000000 ] - [ -0.0000234500000000, 0.0000048200000000, -0.0004225500000000 ] - [ 0.0000904900000000, 0.0000057600000000, 0.0000495300000000 ] - [ 0.0007880800000000, -0.0025225300000000, -0.0006438600000000 ] - [ -0.0000234500000000, 0.0000048200000000, 0.0004225500000000 ] - [ -0.0001813900000000, 0.0000337700000000, 0.0003137300000000 ] - [ -0.0000545800000000, -0.0000412700000000, -0.0000243400000000 ] - [ 0.0000755600000000, 0.0001467300000000, -0.0001565900000000 ] - [ -0.0001925800000000, -0.0000214600000000, -0.0060786800000000 ] - [ 0.0004930700000000, -0.0005141400000000, -0.0006421300000000 ] - [ 0.0051312900000000, 0.0031761900000000, 0.0031268700000000 ] - [ 0.0001283300000000, 0.0006100600000000, -0.0002705700000000 ] - [ -0.0026988400000000, 0.0010376400000000, 0.0008308900000000 ] - [ -0.0001438900000000, -0.0002137100000000, -0.0001493800000000 ] - [ -0.0001925800000000, -0.0000214600000000, 0.0060786800000000 ] - [ 0.0060423500000000, -0.0030989500000000, 0.0026385600000000 ] - [ -0.0003866100000000, 0.0000278600000000, -0.0002604900000000 ] - [ -0.0001438900000000, -0.0002137100000000, 0.0001493800000000 ] - [ -0.0000288100000000, -0.0000063900000000, -0.0001684800000000 ] - [ -0.0000082800000000, -0.0005455900000000, 0.0001787800000000 ] - [ 0.0003224900000000, 0.0005153500000000, 0.0005583900000000 ] - [ -0.0002697200000000, 0.0000074300000000, 0.0000305400000000 ] - [ -0.0001813900000000, 0.0000337700000000, -0.0003137300000000 ] - [ -0.0008152600000000, -0.0000551100000000, 0.0014257000000000 ] - [ 0.0000638700000000, -0.0001318700000000, -0.0000604500000000 ] - [ -0.0011072300000000, -0.0020617800000000, 0.0007081200000000 ] - [ 0.0003397700000000, 0.0000261000000000, 0.0000606100000000 ] - [ -0.0025913300000000, 0.0035925400000000, -0.0027163800000000 ] - [ -0.0001118800000000, 0.0002120700000000, -0.0000604800000000 ] - [ 0.0000603400000000, -0.0000174900000000, 0.0000410900000000 ] - [ 0.0002745200000000, 0.0000009000000000, -0.0003105900000000 ] - [ 0.0000603400000000, -0.0000174900000000, -0.0000410900000000 ] - [ 0.0007880800000000, -0.0025225300000000, 0.0006438600000000 ] - [ -0.0002697200000000, 0.0000074300000000, -0.0000305400000000 ] - [ 0.0060423500000000, -0.0030989500000000, -0.0026385600000000 ] - [ -0.0000082800000000, -0.0005455900000000, -0.0001787800000000 ] - [ 0.0000638700000000, -0.0001318700000000, 0.0000604500000000 ] - [ 0.0001283300000000, 0.0006100600000000, 0.0002705700000000 ] - [ -0.0026988400000000, 0.0010376400000000, -0.0008308900000000 ] - [ 0.0003054600000000, 0.0014926400000000, 0.0001598100000000 ] - [ -0.0000545800000000, -0.0000412700000000, 0.0000243400000000 ] - [ 0.0000397900000000, -0.0000047800000000, -0.0001683300000000 ] - [ -0.0011490000000000, 0.0088681900000000, -0.0073685500000000 ] - [ -0.0004933900000000, -0.0067119900000000, -0.0045591000000000 ] - [ -0.0142227100000000, 0.0002536300000000, -0.0128775600000000 ] - [ 0.0004930700000000, -0.0005141400000000, 0.0006421300000000 ] - [ -0.0062171700000000, -0.0024435200000000, -0.0039648500000000 ] - [ 0.0002745200000000, 0.0000009000000000, 0.0003105900000000 ] - [ 0.0000755600000000, 0.0001467300000000, 0.0001565900000000 ] - [ -0.0003866100000000, 0.0000278600000000, 0.0002604900000000 ] - [ -0.0011490000000000, 0.0088681900000000, 0.0073685500000000 ] - [ 0.0000904900000000, 0.0000057600000000, -0.0000495300000000 ] - [ 0.0003397700000000, 0.0000261000000000, -0.0000606100000000 ] - [ 0.0003224900000000, 0.0005153500000000, -0.0005583900000000 ] - [ -0.0008152600000000, -0.0000551100000000, -0.0014257000000000 ] - [ -0.0004933900000000, -0.0067119900000000, 0.0045591000000000 ] - [ -0.0142227100000000, 0.0002536300000000, 0.0128775600000000 ] - [ 0.0051312900000000, 0.0031761900000000, -0.0031268700000000 ] - [ -0.0011072300000000, -0.0020617800000000, -0.0007081200000000 ] - [ -0.0025913300000000, 0.0035925400000000, 0.0027163800000000 ] - [ -0.0001118800000000, 0.0002120700000000, 0.0000604800000000 ] - [ -0.0062171700000000, -0.0024435200000000, 0.0039648500000000 ] - [ 0.0000397900000000, -0.0000047800000000, 0.0001683300000000 ] - [ -0.0001422900000000, 0.0000659000000000, -0.0002210700000000 ] - [ 0.0001555600000000, -0.0000404300000000, -0.0006367500000000 ] - [ 0.0029749700000000, 0.0013355400000000, -0.0022439900000000 ] - [ 0.0001133000000000, 0.0008562300000000, 0.0011951200000000 ] - [ 0.0026434500000000, -0.0004090400000000, -0.0028467200000000 ] - [ -0.0001045300000000, -0.0001224800000000, -0.0000478700000000 ] - [ -0.0005901500000000, 0.0020288100000000, -0.0008034800000000 ] - [ 0.0001815600000000, -0.0000992700000000, -0.0001486700000000 ] - [ 0.0005470000000000, -0.0053370600000000, 0.0000000000000000 ] - [ -0.0030021700000000, 0.0039345300000000, 0.0000000000000000 ] - [ -0.0007329100000000, -0.0002961200000000, -0.0006162700000000 ] - [ -0.0046737600000000, -0.0002855200000000, -0.0051085600000000 ] - [ 0.0000622300000000, 0.0000620300000000, -0.0002261100000000 ] - [ 0.0000206300000000, 0.0001068200000000, 0.0002335100000000 ] - [ 0.0000629000000000, 0.0003551000000000, 0.0010678400000000 ] - [ -0.0001061400000000, -0.0000252600000000, 0.0002094300000000 ] - [ 0.0026434500000000, -0.0004090400000000, 0.0028467200000000 ] - [ -0.0006061100000000, 0.0002661300000000, -0.0004267200000000 ] - [ 0.0003578700000000, 0.0000140300000000, 0.0002045900000000 ] - [ 0.0000011000000000, -0.0000302800000000, -0.0003304600000000 ] - [ 0.0000423300000000, -0.0004770000000000, -0.0001558100000000 ] - [ -0.0001004800000000, 0.0000991500000000, 0.0003366500000000 ] - [ 0.0001471100000000, 0.0005138600000000, 0.0000548700000000 ] - [ -0.0007329100000000, -0.0002961200000000, 0.0006162700000000 ] - [ -0.0020791000000000, -0.0000261600000000, -0.0001567200000000 ] - [ 0.0000423300000000, -0.0004770000000000, 0.0001558100000000 ] - [ -0.0010779200000000, 0.0035514800000000, 0.0000000000000000 ] - [ 0.0001368800000000, 0.0000161400000000, -0.0000588200000000 ] - [ -0.0000422400000000, 0.0001145500000000, 0.0001198900000000 ] - [ 0.0068429400000000, 0.0017450500000000, 0.0000000000000000 ] - [ 0.0001368800000000, 0.0000161400000000, 0.0000588200000000 ] - [ -0.0050107500000000, -0.0001145600000000, -0.0029323300000000 ] - [ -0.0001045300000000, -0.0001224800000000, 0.0000478700000000 ] - [ -0.0005901500000000, 0.0020288100000000, 0.0008034800000000 ] - [ -0.0001040100000000, 0.0001156900000000, 0.0000409500000000 ] - [ -0.0001629300000000, 0.0012916100000000, -0.0008782800000000 ] - [ -0.0006061100000000, 0.0002661300000000, 0.0004267200000000 ] - [ 0.0000354300000000, 0.0000926300000000, 0.0000727600000000 ] - [ 0.0001471100000000, 0.0005138600000000, -0.0000548700000000 ] - [ 0.0001124900000000, -0.0000149800000000, -0.0000121000000000 ] - [ -0.0010410100000000, -0.0019869500000000, 0.0012590800000000 ] - [ 0.0001555600000000, -0.0000404300000000, 0.0006367500000000 ] - [ -0.0050107500000000, -0.0001145600000000, 0.0029323300000000 ] - [ -0.0049992900000000, 0.0002487300000000, -0.0024465000000000 ] - [ 0.0005257000000000, 0.0003351500000000, 0.0001622700000000 ] - [ -0.0005448100000000, -0.0026913600000000, -0.0001216100000000 ] - [ 0.0000084100000000, 0.0000044500000000, 0.0000000000000000 ] - [ 0.0040425600000000, -0.0012721000000000, 0.0008833700000000 ] - [ 0.0040425600000000, -0.0012721000000000, -0.0008833700000000 ] - [ -0.0001332800000000, 0.0002882300000000, 0.0001599300000000 ] - [ 0.0001449100000000, -0.0000498400000000, 0.0001805800000000 ] - [ -0.0001723900000000, -0.0003278300000000, 0.0001850100000000 ] - [ 0.0001133000000000, 0.0008562300000000, -0.0011951200000000 ] - [ -0.0000145100000000, 0.0000002000000000, 0.0000000000000000 ] - [ 0.0011228300000000, -0.0000653700000000, 0.0003387600000000 ] - [ -0.0046737600000000, -0.0002855200000000, 0.0051085600000000 ] - [ 0.0000030400000000, -0.0001511000000000, -0.0001828200000000 ] - [ 0.0017363200000000, 0.0019902500000000, 0.0005129100000000 ] - [ -0.0001332800000000, 0.0002882300000000, -0.0001599300000000 ] - [ 0.0000011000000000, -0.0000302800000000, 0.0003304600000000 ] - [ -0.0010410100000000, -0.0019869500000000, -0.0012590800000000 ] - [ -0.0000422400000000, 0.0001145500000000, -0.0001198900000000 ] - [ 0.0001336200000000, -0.0007962600000000, 0.0011257300000000 ] - [ -0.0000537000000000, -0.0001129900000000, 0.0000431100000000 ] - [ 0.0082735900000000, 0.0016944000000000, 0.0000000000000000 ] - [ -0.0001004800000000, 0.0000991500000000, -0.0003366500000000 ] - [ 0.0001124900000000, -0.0000149800000000, 0.0000121000000000 ] - [ 0.0000030400000000, -0.0001511000000000, 0.0001828200000000 ] - [ 0.0001336200000000, -0.0007962600000000, -0.0011257300000000 ] - [ -0.0020791000000000, -0.0000261600000000, 0.0001567200000000 ] - [ 0.0029749700000000, 0.0013355400000000, 0.0022439900000000 ] - [ -0.0001422900000000, 0.0000659000000000, 0.0002210700000000 ] - [ 0.0003578700000000, 0.0000140300000000, -0.0002045900000000 ] - [ -0.0000144800000000, -0.0001206800000000, -0.0001766700000000 ] - [ 0.0005257000000000, 0.0003351500000000, -0.0001622700000000 ] - [ 0.0011228300000000, -0.0000653700000000, -0.0003387600000000 ] - [ 0.0001815600000000, -0.0000992700000000, 0.0001486700000000 ] - [ 0.0000527900000000, -0.0004441000000000, 0.0011665600000000 ] - [ -0.0000807700000000, 0.0001292700000000, 0.0000109200000000 ] - [ 0.0000354300000000, 0.0000926300000000, -0.0000727600000000 ] - [ -0.0001723900000000, -0.0003278300000000, -0.0001850100000000 ] - [ -0.0005448100000000, -0.0026913600000000, 0.0001216100000000 ] - [ 0.0017363200000000, 0.0019902500000000, -0.0005129100000000 ] - [ -0.0000311100000000, -0.0000292000000000, 0.0000024500000000 ] - [ -0.0000311100000000, -0.0000292000000000, -0.0000024500000000 ] - [ -0.0000537000000000, -0.0001129900000000, -0.0000431100000000 ] - [ -0.0002126200000000, 0.0000040300000000, 0.0001924800000000 ] - [ 0.0000206300000000, 0.0001068200000000, -0.0002335100000000 ] - [ 0.0015568700000000, -0.0010670700000000, 0.0015501800000000 ] - [ 0.0001449100000000, -0.0000498400000000, -0.0001805800000000 ] - [ 0.0015568700000000, -0.0010670700000000, -0.0015501800000000 ] - [ 0.0000527900000000, -0.0004441000000000, -0.0011665600000000 ] - [ 0.0000622300000000, 0.0000620300000000, 0.0002261100000000 ] - [ 0.0029800500000000, -0.0054975400000000, 0.0000000000000000 ] - [ -0.0001061400000000, -0.0000252600000000, -0.0002094300000000 ] - [ 0.0000071700000000, -0.0000062800000000, 0.0000000000000000 ] - [ -0.0001629300000000, 0.0012916100000000, 0.0008782800000000 ] - [ -0.0000144800000000, -0.0001206800000000, 0.0001766700000000 ] - [ -0.0002126200000000, 0.0000040300000000, -0.0001924800000000 ] - [ -0.0001040100000000, 0.0001156900000000, -0.0000409500000000 ] - [ 0.0000629000000000, 0.0003551000000000, -0.0010678400000000 ] - [ -0.0049992900000000, 0.0002487300000000, 0.0024465000000000 ] - [ -0.0000807700000000, 0.0001292700000000, -0.0000109200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000291400000000, -0.0000506100000000, 0.0036730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0497877100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012110200000000 ] - [ -0.0000584000000000, 0.0000000700000000, 0.0036730700000000 ] - [ 0.0000292600000000, 0.0000505400000000, 0.0036730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008126800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028998000000000 ] - [ 0.0001670000000000, 0.0020332900000000, 0.0000755500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022830100000000 ] - [ -0.0000295800000000, -0.0001050500000000, 0.0023808400000000 ] - [ 0.0004140500000000, 0.0023290600000000, -0.0058419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021405700000000 ] - [ -0.0004257100000000, 0.0002049300000000, 0.0024560700000000 ] - [ 0.0003903300000000, 0.0002662100000000, 0.0024560700000000 ] - [ 0.0077004800000000, 0.0003924200000000, 0.0103549800000000 ] - [ 0.0005135500000000, 0.0005574500000000, 0.0023075800000000 ] - [ -0.0041900800000000, 0.0064726000000000, 0.0103549800000000 ] - [ 0.0007937600000000, -0.0009839300000000, 0.0031545800000000 ] - [ -0.0011505200000000, 0.0012239500000000, 0.0002811600000000 ] - [ -0.0000979600000000, -0.0005759400000000, 0.0024033500000000 ] - [ -0.0078358100000000, 0.0000975600000000, 0.0104607900000000 ] - [ -0.0035103900000000, -0.0068650200000000, 0.0103549800000000 ] - [ 0.0008103400000000, -0.0000498300000000, 0.0029336000000000 ] - [ -0.0001802100000000, 0.0000919200000000, 0.0025023300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025618700000000 ] - [ -0.0006121400000000, -0.0011754500000000, 0.0025024100000000 ] - [ -0.0003620200000000, 0.0007266900000000, 0.0029336000000000 ] - [ 0.0001057600000000, 0.0000269100000000, 0.0023808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015182800000000 ] - [ -0.0012489900000000, -0.0001954500000000, 0.0031545800000000 ] - [ 0.0001096900000000, 0.0002740000000000, 0.0025369900000000 ] - [ -0.0018443700000000, -0.0008720200000000, 0.0000755500000000 ] - [ 0.0000105000000000, -0.0002020300000000, 0.0025023300000000 ] - [ 0.0018100000000000, -0.0015231100000000, -0.0058419300000000 ] - [ 0.0001697100000000, 0.0001101000000000, 0.0025023300000000 ] - [ -0.0000761900000000, 0.0000781400000000, 0.0023808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039642800000000 ] - [ 0.0001755500000000, -0.0003021600000000, 0.0023006700000000 ] - [ -0.0004354900000000, -0.0022962900000000, -0.0063089400000000 ] - [ -0.0003494500000000, -0.0000009500000000, 0.0023006700000000 ] - [ 0.0040023900000000, 0.0067372300000000, 0.0104607900000000 ] - [ 0.0004552300000000, 0.0011793800000000, 0.0031545800000000 ] - [ 0.0000353800000000, -0.0004711400000000, 0.0024560700000000 ] - [ -0.0007119000000000, 0.0011178600000000, 0.0025024100000000 ] - [ 0.0016773800000000, -0.0011612600000000, 0.0000755500000000 ] - [ -0.0004847100000000, -0.0016083600000000, 0.0002811600000000 ] - [ 0.0001824500000000, -0.0002320000000000, 0.0025369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026721200000000 ] - [ 0.0078592400000000, -0.0103142400000000, -0.0072081300000000 ] - [ 0.0050027800000000, 0.0119634200000000, -0.0072081300000000 ] - [ 0.0129067900000000, 0.0014777400000000, -0.0076947700000000 ] - [ -0.0004483200000000, -0.0006768600000000, 0.0029336000000000 ] - [ 0.0022063900000000, 0.0007710100000000, -0.0063089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046002000000000 ] - [ -0.0002921400000000, -0.0000420100000000, 0.0025369900000000 ] - [ -0.0007395400000000, 0.0001660300000000, 0.0023075800000000 ] - [ -0.0077331500000000, 0.0104387400000000, -0.0076947700000000 ] - [ 0.0001739000000000, 0.0003031100000000, 0.0023006700000000 ] - [ 0.0005477600000000, 0.0002031300000000, 0.0024033500000000 ] - [ 0.0002259900000000, -0.0007234800000000, 0.0023075800000000 ] - [ 0.0013240400000000, 0.0000575900000000, 0.0025024100000000 ] - [ -0.0051736400000000, -0.0119164700000000, -0.0076947700000000 ] - [ -0.0128620100000000, -0.0016491800000000, -0.0072081300000000 ] - [ 0.0038334200000000, -0.0068347900000000, 0.0104607900000000 ] - [ 0.0016352400000000, 0.0003844000000000, 0.0002811600000000 ] - [ -0.0017709100000000, 0.0015252900000000, -0.0063089400000000 ] - [ -0.0004498000000000, 0.0003728000000000, 0.0024033500000000 ] - [ -0.0022240500000000, -0.0008059500000000, -0.0058419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030103500000000 ] - [ -0.0001692400000000, -0.0000536100000000, -0.0020570400000000 ] - [ 0.0002017400000000, -0.0000466100000000, -0.0024487500000000 ] - [ 0.0015446600000000, 0.0005678100000000, 0.0022320000000000 ] - [ -0.0012338100000000, -0.0010083200000000, -0.0021762400000000 ] - [ 0.0042356400000000, 0.0001969900000000, 0.0004376600000000 ] - [ 0.0002235500000000, -0.0004644900000000, -0.0020736100000000 ] - [ 0.0019413400000000, 0.0038206500000000, 0.0009876800000000 ] - [ 0.0002190400000000, -0.0001229300000000, -0.0016311200000000 ] - [ 0.0001196900000000, 0.0001776700000000, 0.0128780500000000 ] - [ -0.0002137100000000, 0.0000148200000000, 0.0128780500000000 ] - [ -0.0004189000000000, -0.0015893100000000, -0.0026333300000000 ] - [ 0.0048755000000000, 0.0000316300000000, 0.0000118900000000 ] - [ 0.0000381900000000, 0.0001733700000000, -0.0020570400000000 ] - [ -0.0001764800000000, 0.0001178300000000, -0.0015683300000000 ] - [ -0.0016425900000000, -0.0003332400000000, -0.0022638600000000 ] - [ -0.0000138000000000, -0.0002117500000000, -0.0015683300000000 ] - [ -0.0042794500000000, -0.0002290700000000, 0.0009876800000000 ] - [ -0.0002563300000000, 0.0015726700000000, -0.0021762400000000 ] - [ 0.0001433800000000, 0.0000018500000000, -0.0015935100000000 ] - [ -0.0000605100000000, 0.0001980200000000, -0.0024487500000000 ] - [ -0.0001663900000000, 0.0002265400000000, -0.0010903900000000 ] - [ 0.0000159800000000, 0.0001507300000000, -0.0015775900000000 ] - [ 0.0000609000000000, 0.0001558800000000, -0.0007171800000000 ] - [ 0.0005327000000000, 0.0015891500000000, -0.0022638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058122800000000 ] - [ 0.0001045500000000, -0.0001306800000000, -0.0007171800000000 ] - [ -0.0001643600000000, 0.0002653800000000, 0.0073951300000000 ] - [ 0.0001841000000000, -0.0000396300000000, -0.0017400400000000 ] - [ -0.0002159800000000, -0.0001282300000000, -0.0016311200000000 ] - [ 0.0000940200000000, -0.0001924900000000, 0.0128780500000000 ] - [ -0.0001558900000000, 0.0000897100000000, -0.0018242900000000 ] - [ 0.0026687800000000, -0.0041039100000000, -0.0003858600000000 ] - [ -0.0001215000000000, 0.0002769300000000, -0.0021385800000000 ] - [ -0.0019472200000000, -0.0037666700000000, 0.0004376600000000 ] - [ -0.0001790800000000, -0.0002436900000000, -0.0021385800000000 ] - [ 0.0000459700000000, 0.0015680400000000, 0.0020848000000000 ] - [ 0.0005514600000000, -0.0015778700000000, -0.0019100000000000 ] - [ 0.0001042800000000, -0.0000662100000000, -0.0015634600000000 ] - [ -0.0001129900000000, -0.0002573700000000, -0.0010903900000000 ] - [ 0.0001432000000000, -0.0000758100000000, -0.0014759500000000 ] - [ -0.0022884200000000, 0.0035696800000000, 0.0004376600000000 ] - [ -0.0001385300000000, -0.0000615200000000, -0.0015775900000000 ] - [ -0.0024651400000000, 0.0042064900000000, 0.0000118900000000 ] - [ 0.0022197000000000, 0.0043631900000000, -0.0003858600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284800000000 ] - [ -0.0004736200000000, 0.0014755300000000, 0.0028039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026607600000000 ] - [ -0.0019101600000000, 0.0010243200000000, 0.0031004900000000 ] - [ 0.0015146600000000, -0.0003276000000000, 0.0028039300000000 ] - [ -0.0000732900000000, 0.0001232400000000, -0.0015935100000000 ] - [ 0.0001902800000000, 0.0000939200000000, -0.0015683300000000 ] - [ -0.0000700900000000, -0.0001250900000000, -0.0015935100000000 ] - [ 0.0010907500000000, 0.0012665200000000, -0.0019100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027122400000000 ] - [ -0.0001654500000000, -0.0000252000000000, -0.0007171800000000 ] - [ -0.0048884800000000, -0.0002592800000000, -0.0003858600000000 ] - [ 0.0000002600000000, -0.0001798600000000, -0.0018242900000000 ] - [ -0.0010410400000000, -0.0011479300000000, 0.0028039300000000 ] - [ -0.0002745200000000, 0.0004792200000000, -0.0019588100000000 ] - [ 0.0001225400000000, -0.0000892000000000, -0.0015775900000000 ] - [ 0.0023381100000000, -0.0035915700000000, 0.0009876800000000 ] - [ 0.0000052000000000, 0.0001234100000000, -0.0015634600000000 ] - [ -0.0011669300000000, 0.0011574300000000, -0.0026333300000000 ] - [ -0.0001372600000000, -0.0000861100000000, -0.0014759500000000 ] - [ -0.0001476400000000, -0.0002750300000000, 0.0073951300000000 ] - [ -0.0001412400000000, -0.0001514100000000, -0.0024487500000000 ] - [ 0.0001167500000000, 0.0000753700000000, -0.0014881900000000 ] - [ -0.0000577300000000, 0.0001792500000000, -0.0017400400000000 ] - [ 0.0011098900000000, -0.0012559100000000, -0.0022638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0054660300000000 ] - [ -0.0013809500000000, -0.0007442100000000, 0.0020848000000000 ] - [ -0.0000469100000000, 0.0001615400000000, -0.0016429900000000 ] - [ 0.0005522700000000, -0.0000018700000000, -0.0019588100000000 ] - [ 0.0001310500000000, -0.0001197600000000, -0.0020570400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004408200000000 ] - [ 0.0002793800000000, 0.0000308300000000, -0.0010903900000000 ] - [ -0.0001094800000000, -0.0000572000000000, -0.0015634600000000 ] - [ -0.0016422100000000, 0.0003113600000000, -0.0019100000000000 ] - [ -0.0001236500000000, 0.0000634300000000, -0.0014881900000000 ] - [ -0.0000030600000000, 0.0002511600000000, -0.0016311200000000 ] - [ -0.0002777500000000, -0.0004773400000000, -0.0019588100000000 ] - [ 0.0000679900000000, -0.0021664100000000, 0.0031004900000000 ] - [ 0.0018421700000000, 0.0011420900000000, 0.0031004900000000 ] - [ -0.0001263700000000, -0.0001396200000000, -0.0017400400000000 ] - [ 0.0001556400000000, 0.0000901500000000, -0.0018242900000000 ] - [ 0.0000068900000000, -0.0001387900000000, -0.0014881900000000 ] - [ -0.0005140400000000, 0.0000386500000000, -0.0020736100000000 ] - [ 0.0001906500000000, 0.0001233400000000, -0.0019827400000000 ] - [ -0.0012640700000000, 0.0010538100000000, 0.0022320000000000 ] - [ 0.0000114900000000, -0.0002267800000000, -0.0019827400000000 ] - [ 0.0013349800000000, -0.0008238400000000, 0.0020848000000000 ] - [ 0.0014901400000000, -0.0005643500000000, -0.0021762400000000 ] - [ 0.0001633500000000, -0.0000401500000000, -0.0016429900000000 ] - [ 0.0003120000000000, 0.0000096500000000, 0.0073951300000000 ] - [ -0.0002021400000000, 0.0001034400000000, -0.0019827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026226500000000 ] - [ -0.0002806000000000, -0.0016216200000000, 0.0022320000000000 ] - [ -0.0001164400000000, -0.0001213900000000, -0.0016429900000000 ] - [ 0.0003005800000000, -0.0000332400000000, -0.0021385800000000 ] - [ 0.0002904900000000, 0.0004258500000000, -0.0020736100000000 ] - [ 0.0015858300000000, 0.0004318800000000, -0.0026333300000000 ] - [ -0.0024103500000000, -0.0042381200000000, 0.0000118900000000 ] - [ -0.0000059500000000, 0.0001619300000000, -0.0014759500000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000568700000000, -0.0002967500000000, 0.0002803600000000 ] - [ 0.0004277100000000, 0.0000732500000000, -0.0000023300000000 ] - [ -0.0787999000000000, 0.0000000000000000, -0.0000919500000000 ] - [ 0.0002832700000000, 0.0000000000000000, -0.0005608600000000 ] - [ -0.0000568700000000, 0.0002967500000000, 0.0002803600000000 ] - [ 0.0004277100000000, -0.0000732500000000, -0.0000023300000000 ] - [ -0.0000338400000000, 0.0000000000000000, -0.0002019100000000 ] - [ 0.0008331000000000, 0.0000086100000000, 0.0001697200000000 ] - [ 0.0088256200000000, 0.0020609100000000, -0.0037557800000000 ] - [ -0.0028067400000000, 0.0000000000000000, -0.0004287500000000 ] - [ 0.0027149000000000, -0.0022515700000000, -0.0049503900000000 ] - [ -0.0002427100000000, -0.0000076200000000, 0.0005112200000000 ] - [ -0.0000642400000000, 0.0000000000000000, 0.0004217400000000 ] - [ 0.0039253600000000, 0.0011538600000000, 0.0003120700000000 ] - [ -0.0001523300000000, -0.0000136300000000, -0.0000322100000000 ] - [ 0.0000471700000000, 0.0001039100000000, -0.0000123500000000 ] - [ 0.0040613000000000, 0.0064740100000000, 0.0038802200000000 ] - [ 0.0000234700000000, -0.0000720400000000, -0.0003084200000000 ] - [ 0.0088256200000000, -0.0020609100000000, -0.0037557800000000 ] - [ -0.0007889700000000, 0.0175831300000000, 0.0017167600000000 ] - [ 0.0002430900000000, 0.0000800800000000, 0.0000994900000000 ] - [ 0.0005184800000000, 0.0027176900000000, 0.0002021600000000 ] - [ -0.0000737200000000, 0.0002993400000000, 0.0001272100000000 ] - [ -0.0001608800000000, -0.0019925100000000, -0.0004267700000000 ] - [ 0.0001464300000000, 0.0168544100000000, -0.0031441700000000 ] - [ -0.0001311700000000, -0.0002087700000000, 0.0000588400000000 ] - [ 0.0000383200000000, -0.0000243000000000, -0.0001684700000000 ] - [ -0.0000600500000000, 0.0000000000000000, -0.0003150200000000 ] - [ 0.0293385400000000, 0.0000000000000000, 0.0073482600000000 ] - [ -0.0045711200000000, 0.0016201600000000, -0.0013585600000000 ] - [ 0.0000116700000000, -0.0000004000000000, -0.0003129300000000 ] - [ -0.0007889700000000, -0.0175831300000000, 0.0017167600000000 ] - [ 0.0027149000000000, 0.0022515700000000, -0.0049503900000000 ] - [ 0.0040613000000000, -0.0064740100000000, 0.0038802200000000 ] - [ 0.0003438200000000, 0.0000000000000000, 0.0000306100000000 ] - [ -0.0001651500000000, 0.0000000000000000, -0.0003826800000000 ] - [ -0.0001311700000000, 0.0002087700000000, 0.0000588400000000 ] - [ 0.0025688600000000, 0.0056232400000000, 0.0064391100000000 ] - [ 0.0000116700000000, 0.0000004000000000, -0.0003129300000000 ] - [ 0.0000471700000000, -0.0001039100000000, -0.0000123500000000 ] - [ -0.0037889400000000, -0.0019910800000000, 0.0027249700000000 ] - [ -0.0001523300000000, 0.0000136300000000, -0.0000322100000000 ] - [ 0.0002430900000000, -0.0000800800000000, 0.0000994900000000 ] - [ 0.0292147900000000, 0.0000000000000000, -0.0024163800000000 ] - [ 0.0000626000000000, -0.0000789000000000, -0.0000767800000000 ] - [ 0.0000321700000000, 0.0000843100000000, -0.0003325200000000 ] - [ -0.0001608800000000, 0.0019925100000000, -0.0004267700000000 ] - [ -0.0000670000000000, 0.0002408400000000, 0.0000686100000000 ] - [ -0.0045711200000000, -0.0016201600000000, -0.0013585600000000 ] - [ 0.0000383200000000, 0.0000243000000000, -0.0001684700000000 ] - [ -0.0001754100000000, 0.0021188500000000, -0.0007376600000000 ] - [ 0.0032307200000000, 0.0000000000000000, 0.0023100900000000 ] - [ -0.0000050900000000, -0.0001511600000000, -0.0004935500000000 ] - [ 0.0001464300000000, -0.0168544100000000, -0.0031441700000000 ] - [ -0.0037889400000000, 0.0019910800000000, 0.0027249700000000 ] - [ 0.0039253600000000, -0.0011538600000000, 0.0003120700000000 ] - [ 0.0025688600000000, -0.0056232400000000, 0.0064391100000000 ] - [ 0.0000234700000000, 0.0000720400000000, -0.0003084200000000 ] - [ -0.0000050900000000, 0.0001511600000000, -0.0004935500000000 ] - [ 0.0000626000000000, 0.0000789000000000, -0.0000767800000000 ] - [ 0.0060452100000000, 0.0000000000000000, -0.0005364700000000 ] - [ -0.0000538200000000, 0.0000000000000000, -0.0003231100000000 ] - [ 0.0000321700000000, -0.0000843100000000, -0.0003325200000000 ] - [ -0.0000282900000000, 0.0000000000000000, 0.0001362800000000 ] - [ -0.0001754100000000, -0.0021188500000000, -0.0007376600000000 ] - [ -0.0000670000000000, -0.0002408400000000, 0.0000686100000000 ] - [ -0.0000737200000000, -0.0002993400000000, 0.0001272100000000 ] - [ -0.0003249800000000, 0.0000000000000000, -0.0060748000000000 ] - [ 0.0005184800000000, -0.0027176900000000, 0.0002021600000000 ] - [ -0.0002427100000000, 0.0000076200000000, 0.0005112200000000 ] - [ 0.0008331000000000, -0.0000086100000000, 0.0001697200000000 ] - [ -0.0001455800000000, 0.0000117500000000, -0.0001498600000000 ] - [ 0.0013485800000000, 0.0037033900000000, -0.0028398700000000 ] - [ -0.0000172100000000, 0.0004834200000000, -0.0000736200000000 ] - [ -0.0000772000000000, 0.0001489500000000, -0.0001372000000000 ] - [ -0.0000139400000000, -0.0000763300000000, -0.0003563600000000 ] - [ -0.0051483800000000, 0.0014909500000000, -0.0013998800000000 ] - [ 0.0009830600000000, 0.0025025600000000, -0.0011653400000000 ] - [ 0.0000583700000000, -0.0000983300000000, -0.0000359600000000 ] - [ 0.0001229500000000, -0.0001654500000000, 0.0003663100000000 ] - [ -0.0008336500000000, 0.0000000000000000, -0.0007312900000000 ] - [ 0.0000732100000000, -0.0000020900000000, -0.0001843200000000 ] - [ -0.0010291000000000, 0.0020533000000000, 0.0014265200000000 ] - [ 0.0001134900000000, 0.0000411400000000, -0.0002367300000000 ] - [ -0.0004790700000000, -0.0007591100000000, -0.0004168500000000 ] - [ -0.0015713700000000, -0.0054024400000000, -0.0012878500000000 ] - [ -0.0016948200000000, 0.0004362400000000, 0.0010248900000000 ] - [ 0.0009830600000000, -0.0025025600000000, -0.0011653400000000 ] - [ 0.0001079400000000, 0.0000000000000000, -0.0001219300000000 ] - [ 0.0008327600000000, 0.0000000000000000, 0.0024984300000000 ] - [ 0.0013485800000000, -0.0037033900000000, -0.0028398700000000 ] - [ -0.0000281800000000, 0.0000382500000000, -0.0001637000000000 ] - [ -0.0000699000000000, 0.0000000000000000, 0.0004486000000000 ] - [ -0.0015713700000000, 0.0054024400000000, -0.0012878500000000 ] - [ 0.0067031400000000, -0.0006293100000000, -0.0001854700000000 ] - [ -0.0041352300000000, 0.0000891000000000, -0.0001625500000000 ] - [ -0.0013542100000000, -0.0038380700000000, 0.0019944000000000 ] - [ 0.0004782700000000, 0.0006367800000000, -0.0005788600000000 ] - [ 0.0000274800000000, 0.0000210900000000, 0.0000480800000000 ] - [ -0.0001092000000000, 0.0000093200000000, -0.0000296000000000 ] - [ 0.0001229500000000, 0.0001654500000000, 0.0003663100000000 ] - [ 0.0054856600000000, -0.0002505400000000, -0.0001069300000000 ] - [ 0.0001077800000000, 0.0000555100000000, -0.0000223800000000 ] - [ 0.0000325000000000, -0.0000883000000000, -0.0000359800000000 ] - [ -0.0000139400000000, 0.0000763300000000, -0.0003563600000000 ] - [ 0.0000583700000000, 0.0000983300000000, -0.0000359600000000 ] - [ -0.0001849900000000, 0.0000468400000000, -0.0001589800000000 ] - [ -0.0085414100000000, 0.0000000000000000, -0.0003493500000000 ] - [ -0.0051483800000000, -0.0014909500000000, -0.0013998800000000 ] - [ -0.0000256000000000, -0.0000442100000000, -0.0002061800000000 ] - [ -0.0024606100000000, 0.0000000000000000, -0.0029237800000000 ] - [ -0.0000941900000000, 0.0000000000000000, -0.0000952300000000 ] - [ 0.0000337100000000, -0.0000487300000000, 0.0004279000000000 ] - [ -0.0000172100000000, -0.0004834200000000, -0.0000736200000000 ] - [ -0.0001849900000000, -0.0000468400000000, -0.0001589800000000 ] - [ -0.0000164600000000, 0.0000130800000000, 0.0001606800000000 ] - [ 0.0020975800000000, -0.0014788400000000, 0.0017293400000000 ] - [ -0.0001802000000000, 0.0000491500000000, -0.0000006900000000 ] - [ 0.0000273900000000, 0.0004412400000000, 0.0002444300000000 ] - [ 0.0020975800000000, 0.0014788400000000, 0.0017293400000000 ] - [ 0.0022445400000000, 0.0014123400000000, -0.0009744600000000 ] - [ 0.0002519100000000, 0.0006927400000000, 0.0000080300000000 ] - [ 0.0022445400000000, -0.0014123400000000, -0.0009744600000000 ] - [ 0.0001295600000000, 0.0052594100000000, 0.0003726300000000 ] - [ -0.0001802000000000, -0.0000491500000000, -0.0000006900000000 ] - [ 0.0067031400000000, 0.0006293100000000, -0.0001854700000000 ] - [ -0.0000166800000000, -0.0000807800000000, -0.0000114500000000 ] - [ 0.0052166300000000, 0.0000000000000000, 0.0003218300000000 ] - [ 0.0007027100000000, 0.0000000000000000, -0.0039532000000000 ] - [ -0.0001474200000000, 0.0002882600000000, -0.0002048400000000 ] - [ 0.0000337100000000, 0.0000487300000000, 0.0004279000000000 ] - [ -0.0032976300000000, 0.0000000000000000, 0.0031615300000000 ] - [ -0.0019547300000000, 0.0025491800000000, 0.0016970900000000 ] - [ -0.0000281800000000, -0.0000382500000000, -0.0001637000000000 ] - [ -0.0003212600000000, -0.0014708600000000, 0.0014804800000000 ] - [ 0.0004782700000000, -0.0006367800000000, -0.0005788600000000 ] - [ -0.0052400600000000, 0.0000000000000000, 0.0043386800000000 ] - [ 0.0001053900000000, 0.0000000000000000, -0.0000519100000000 ] - [ -0.0000236300000000, 0.0000000000000000, 0.0000306700000000 ] - [ -0.0013542100000000, 0.0038380700000000, 0.0019944000000000 ] - [ -0.0000164600000000, -0.0000130800000000, 0.0001606800000000 ] - [ 0.0001077800000000, -0.0000555100000000, -0.0000223800000000 ] - [ -0.0016948200000000, -0.0004362400000000, 0.0010248900000000 ] - [ 0.0003972200000000, 0.0000000000000000, -0.0001401600000000 ] - [ -0.0000189000000000, -0.0001113900000000, -0.0002363800000000 ] - [ -0.0041352300000000, -0.0000891000000000, -0.0001625500000000 ] - [ 0.0000732100000000, 0.0000020900000000, -0.0001843200000000 ] - [ 0.0001130300000000, -0.0025135900000000, -0.0002087900000000 ] - [ 0.0001295600000000, -0.0052594100000000, 0.0003726300000000 ] - [ -0.0000545500000000, 0.0001321500000000, 0.0000165100000000 ] - [ 0.0000325000000000, 0.0000883000000000, -0.0000359800000000 ] - [ -0.0001474200000000, -0.0002882600000000, -0.0002048400000000 ] - [ 0.0000273900000000, -0.0004412400000000, 0.0002444300000000 ] - [ 0.0004725300000000, 0.0000000000000000, -0.0000122400000000 ] - [ 0.0000274800000000, -0.0000210900000000, 0.0000480800000000 ] - [ 0.0054856600000000, 0.0002505400000000, -0.0001069300000000 ] - [ -0.0000545500000000, -0.0001321500000000, 0.0000165100000000 ] - [ -0.0019547300000000, -0.0025491800000000, 0.0016970900000000 ] - [ -0.0000189000000000, 0.0001113900000000, -0.0002363800000000 ] - [ -0.0010291000000000, -0.0020533000000000, 0.0014265200000000 ] - [ 0.0001134900000000, -0.0000411400000000, -0.0002367300000000 ] - [ -0.0000166800000000, 0.0000807800000000, -0.0000114500000000 ] - [ -0.0000772000000000, -0.0001489500000000, -0.0001372000000000 ] - [ 0.0002519100000000, -0.0006927400000000, 0.0000080300000000 ] - [ 0.0003530500000000, 0.0000000000000000, 0.0011563700000000 ] - [ -0.0001455800000000, -0.0000117500000000, -0.0001498600000000 ] - [ 0.0004422400000000, 0.0000000000000000, 0.0000007300000000 ] - [ -0.0030683700000000, 0.0000176300000000, -0.0011504700000000 ] - [ -0.0004790700000000, 0.0007591100000000, -0.0004168500000000 ] - [ -0.0001092000000000, -0.0000093200000000, -0.0000296000000000 ] - [ 0.0001130300000000, 0.0025135900000000, -0.0002087900000000 ] - [ -0.0000256000000000, 0.0000442100000000, -0.0002061800000000 ] - [ -0.0030683700000000, -0.0000176300000000, -0.0011504700000000 ] - [ -0.0003212600000000, 0.0014708600000000, 0.0014804800000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001149000000000, 0.0001948700000000, -0.0002810300000000 ] - [ -0.0004267300000000, -0.0000764800000000, -0.0000023300000000 ] - [ 0.0784328900000000, 0.0000000000000000, -0.0000862600000000 ] - [ -0.0003965300000000, 0.0000000000000000, 0.0005618600000000 ] - [ 0.0001149000000000, -0.0001948700000000, -0.0002810300000000 ] - [ -0.0004267300000000, 0.0000764800000000, -0.0000023300000000 ] - [ 0.0000338700000000, 0.0000000000000000, -0.0002018200000000 ] - [ -0.0008360600000000, 0.0000004700000000, 0.0001699100000000 ] - [ -0.0091034600000000, -0.0016062800000000, 0.0035427000000000 ] - [ 0.0027980900000000, 0.0000000000000000, -0.0004283100000000 ] - [ -0.0025235400000000, 0.0024733800000000, 0.0050399300000000 ] - [ 0.0002244200000000, 0.0000464300000000, -0.0000840700000000 ] - [ 0.0000624300000000, 0.0000000000000000, 0.0004212400000000 ] - [ -0.0039194500000000, -0.0011245800000000, 0.0003124100000000 ] - [ -0.0000912000000000, -0.0000104200000000, -0.0000485500000000 ] - [ 0.0000512500000000, 0.0001232300000000, -0.0000689000000000 ] - [ -0.0042813300000000, -0.0060230100000000, -0.0040926200000000 ] - [ 0.0000441600000000, -0.0000442600000000, -0.0003182300000000 ] - [ -0.0091034600000000, 0.0016062800000000, 0.0035427000000000 ] - [ 0.0007799200000000, -0.0173625700000000, -0.0010482000000000 ] - [ 0.0002775100000000, -0.0000109400000000, 0.0000982300000000 ] - [ -0.0007883200000000, -0.0031928100000000, -0.0002974700000000 ] - [ -0.0001279100000000, 0.0001858000000000, 0.0000696300000000 ] - [ 0.0007018800000000, 0.0018947500000000, 0.0002467400000000 ] - [ 0.0000069800000000, -0.0167859100000000, 0.0038153000000000 ] - [ -0.0001479000000000, -0.0002738900000000, 0.0000394700000000 ] - [ -0.0000408400000000, 0.0000268600000000, -0.0001686900000000 ] - [ -0.0000995400000000, 0.0000000000000000, -0.0003391000000000 ] - [ -0.0290711800000000, 0.0000000000000000, -0.0065715700000000 ] - [ 0.0043001000000000, -0.0015699400000000, 0.0014133700000000 ] - [ -0.0000096500000000, 0.0000008800000000, -0.0003132700000000 ] - [ 0.0007799200000000, 0.0173625700000000, -0.0010482000000000 ] - [ -0.0025235400000000, -0.0024733800000000, 0.0050399300000000 ] - [ -0.0042813300000000, 0.0060230100000000, -0.0040926200000000 ] - [ 0.0002145500000000, 0.0000000000000000, 0.0000689300000000 ] - [ 0.0002087200000000, 0.0000000000000000, 0.0008102400000000 ] - [ -0.0001479000000000, 0.0002738900000000, 0.0000394700000000 ] - [ -0.0024694900000000, -0.0058285900000000, -0.0063225800000000 ] - [ -0.0000096500000000, -0.0000008800000000, -0.0003132700000000 ] - [ 0.0000512500000000, -0.0001232300000000, -0.0000689000000000 ] - [ 0.0037946700000000, 0.0020139900000000, -0.0031243900000000 ] - [ -0.0000912000000000, 0.0000104200000000, -0.0000485500000000 ] - [ 0.0002775100000000, 0.0000109400000000, 0.0000982300000000 ] - [ -0.0297465900000000, 0.0000000000000000, 0.0031144300000000 ] - [ 0.0000810300000000, -0.0001169100000000, -0.0000046000000000 ] - [ 0.0000444600000000, 0.0000540200000000, -0.0003207200000000 ] - [ 0.0007018800000000, -0.0018947500000000, 0.0002467400000000 ] - [ -0.0002538900000000, 0.0001755000000000, 0.0001284100000000 ] - [ 0.0043001000000000, 0.0015699400000000, 0.0014133700000000 ] - [ -0.0000408400000000, -0.0000268600000000, -0.0001686900000000 ] - [ 0.0002542500000000, -0.0019609200000000, 0.0012992300000000 ] - [ -0.0034064000000000, 0.0000000000000000, -0.0017652000000000 ] - [ 0.0001004600000000, -0.0000134900000000, -0.0000723900000000 ] - [ 0.0000069800000000, 0.0167859100000000, 0.0038153000000000 ] - [ 0.0037946700000000, -0.0020139900000000, -0.0031243900000000 ] - [ -0.0039194500000000, 0.0011245800000000, 0.0003124100000000 ] - [ -0.0024694900000000, 0.0058285900000000, -0.0063225800000000 ] - [ 0.0000441600000000, 0.0000442600000000, -0.0003182300000000 ] - [ 0.0001004600000000, 0.0000134900000000, -0.0000723900000000 ] - [ 0.0000810300000000, 0.0001169100000000, -0.0000046000000000 ] - [ -0.0054987000000000, 0.0000000000000000, 0.0004632000000000 ] - [ -0.0000809500000000, 0.0000000000000000, -0.0003036300000000 ] - [ 0.0000444600000000, -0.0000540200000000, -0.0003207200000000 ] - [ -0.0001613800000000, 0.0000000000000000, -0.0007045500000000 ] - [ 0.0002542500000000, 0.0019609200000000, 0.0012992300000000 ] - [ -0.0002538900000000, -0.0001755000000000, 0.0001284100000000 ] - [ -0.0001279100000000, -0.0001858000000000, 0.0000696300000000 ] - [ 0.0003224400000000, 0.0000000000000000, 0.0056214900000000 ] - [ -0.0007883200000000, 0.0031928100000000, -0.0002974700000000 ] - [ 0.0002244200000000, -0.0000464300000000, -0.0000840700000000 ] - [ -0.0008360600000000, -0.0000004700000000, 0.0001699100000000 ] - [ -0.0000700200000000, 0.0000981100000000, -0.0002640700000000 ] - [ -0.0012676400000000, -0.0037974600000000, 0.0019610800000000 ] - [ 0.0001780600000000, -0.0006683600000000, 0.0001991400000000 ] - [ -0.0000704700000000, 0.0001071600000000, -0.0001271800000000 ] - [ -0.0000037100000000, 0.0000460300000000, -0.0001820900000000 ] - [ 0.0052377000000000, -0.0016622400000000, 0.0014511400000000 ] - [ -0.0010177600000000, -0.0024752200000000, 0.0017087900000000 ] - [ 0.0000516400000000, -0.0000810800000000, -0.0000315900000000 ] - [ 0.0000990500000000, 0.0005500400000000, -0.0003671700000000 ] - [ 0.0003823600000000, 0.0000000000000000, 0.0007356900000000 ] - [ 0.0000428400000000, -0.0000012100000000, -0.0001858700000000 ] - [ 0.0011025700000000, -0.0022662300000000, -0.0012866300000000 ] - [ 0.0000885000000000, 0.0000928900000000, -0.0001784000000000 ] - [ 0.0004977100000000, 0.0009925900000000, 0.0008316500000000 ] - [ 0.0012051900000000, 0.0053764200000000, 0.0016205000000000 ] - [ 0.0014766500000000, -0.0005541900000000, -0.0006213200000000 ] - [ -0.0010177600000000, 0.0024752200000000, 0.0017087900000000 ] - [ 0.0001877700000000, 0.0000000000000000, -0.0001425700000000 ] - [ -0.0001493500000000, 0.0000000000000000, -0.0021264500000000 ] - [ -0.0012676400000000, 0.0037974600000000, 0.0019610800000000 ] - [ -0.0000337600000000, 0.0000572400000000, -0.0002050700000000 ] - [ -0.0000578800000000, 0.0000000000000000, 0.0004220900000000 ] - [ 0.0012051900000000, -0.0053764200000000, 0.0016205000000000 ] - [ -0.0065803500000000, 0.0006523200000000, 0.0005442300000000 ] - [ 0.0041320700000000, -0.0000749300000000, -0.0001619400000000 ] - [ 0.0016163200000000, 0.0040403300000000, -0.0016437000000000 ] - [ -0.0008013400000000, -0.0000760100000000, 0.0005764300000000 ] - [ 0.0000025300000000, 0.0000298700000000, 0.0000369500000000 ] - [ -0.0001034600000000, -0.0000144500000000, -0.0000372200000000 ] - [ 0.0000990500000000, -0.0005500400000000, -0.0003671700000000 ] - [ -0.0054947900000000, 0.0002136000000000, 0.0001077000000000 ] - [ 0.0000514900000000, 0.0001217700000000, -0.0001068100000000 ] - [ 0.0000688200000000, -0.0000976000000000, -0.0000315500000000 ] - [ -0.0000037100000000, -0.0000460300000000, -0.0001820900000000 ] - [ 0.0000516400000000, 0.0000810800000000, -0.0000315900000000 ] - [ -0.0000459100000000, -0.0000954700000000, 0.0000310300000000 ] - [ 0.0088263500000000, 0.0000000000000000, 0.0006151100000000 ] - [ 0.0052377000000000, 0.0016622400000000, 0.0014511400000000 ] - [ -0.0000264900000000, -0.0000577300000000, -0.0001636000000000 ] - [ 0.0027239400000000, 0.0000000000000000, 0.0029362800000000 ] - [ 0.0001278800000000, 0.0000000000000000, -0.0004434900000000 ] - [ 0.0000273300000000, -0.0000595300000000, 0.0004425600000000 ] - [ 0.0001780600000000, 0.0006683600000000, 0.0001991400000000 ] - [ -0.0000459100000000, 0.0000954700000000, 0.0000310300000000 ] - [ 0.0000170600000000, -0.0000122600000000, 0.0001600600000000 ] - [ -0.0024774900000000, 0.0007934200000000, -0.0020633200000000 ] - [ 0.0001797200000000, -0.0000503500000000, -0.0000006800000000 ] - [ -0.0004336700000000, 0.0002557000000000, 0.0000738900000000 ] - [ -0.0024774900000000, -0.0007934200000000, -0.0020633200000000 ] - [ -0.0025766700000000, -0.0008044400000000, 0.0013384800000000 ] - [ -0.0000485900000000, -0.0008271000000000, 0.0004058000000000 ] - [ -0.0025766700000000, 0.0008044400000000, 0.0013384800000000 ] - [ -0.0002792800000000, -0.0050035700000000, -0.0001093000000000 ] - [ 0.0001797200000000, 0.0000503500000000, -0.0000006800000000 ] - [ -0.0065803500000000, -0.0006523200000000, 0.0005442300000000 ] - [ 0.0000907400000000, -0.0001455500000000, -0.0001167100000000 ] - [ -0.0049627400000000, 0.0000000000000000, -0.0001121700000000 ] - [ 0.0000636900000000, 0.0000000000000000, 0.0036317200000000 ] - [ -0.0001979600000000, 0.0003153300000000, -0.0001615800000000 ] - [ 0.0000273300000000, 0.0000595300000000, 0.0004425600000000 ] - [ 0.0033232400000000, 0.0000000000000000, -0.0025871400000000 ] - [ 0.0017277200000000, -0.0025606200000000, -0.0016424700000000 ] - [ -0.0000337600000000, -0.0000572400000000, -0.0002050700000000 ] - [ 0.0001802900000000, 0.0012328300000000, -0.0014489500000000 ] - [ -0.0008013400000000, 0.0000760100000000, 0.0005764300000000 ] - [ 0.0051352100000000, 0.0000000000000000, -0.0052661500000000 ] - [ 0.0001528900000000, 0.0000000000000000, 0.0000383800000000 ] - [ -0.0000337800000000, 0.0000000000000000, 0.0000537300000000 ] - [ 0.0016163200000000, -0.0040403300000000, -0.0016437000000000 ] - [ 0.0000170600000000, 0.0000122600000000, 0.0001600600000000 ] - [ 0.0000514900000000, -0.0001217700000000, -0.0001068100000000 ] - [ 0.0014766500000000, 0.0005541900000000, -0.0006213200000000 ] - [ 0.0002994000000000, 0.0000000000000000, -0.0002275100000000 ] - [ 0.0000361400000000, -0.0001294300000000, -0.0001805200000000 ] - [ 0.0041320700000000, 0.0000749300000000, -0.0001619400000000 ] - [ 0.0000428400000000, 0.0000012100000000, -0.0001858700000000 ] - [ -0.0000078100000000, 0.0023114900000000, 0.0002785900000000 ] - [ -0.0002792800000000, 0.0050035700000000, -0.0001093000000000 ] - [ -0.0000760600000000, 0.0000923600000000, -0.0000292400000000 ] - [ 0.0000688200000000, 0.0000976000000000, -0.0000315500000000 ] - [ -0.0001979600000000, -0.0003153300000000, -0.0001615800000000 ] - [ -0.0004336700000000, -0.0002557000000000, 0.0000738900000000 ] - [ 0.0003331500000000, 0.0000000000000000, 0.0003292800000000 ] - [ 0.0000025300000000, -0.0000298700000000, 0.0000369500000000 ] - [ -0.0054947900000000, -0.0002136000000000, 0.0001077000000000 ] - [ -0.0000760600000000, -0.0000923600000000, -0.0000292400000000 ] - [ 0.0017277200000000, 0.0025606200000000, -0.0016424700000000 ] - [ 0.0000361400000000, 0.0001294300000000, -0.0001805200000000 ] - [ 0.0011025700000000, 0.0022662300000000, -0.0012866300000000 ] - [ 0.0000885000000000, -0.0000928900000000, -0.0001784000000000 ] - [ 0.0000907400000000, 0.0001455500000000, -0.0001167100000000 ] - [ -0.0000704700000000, -0.0001071600000000, -0.0001271800000000 ] - [ -0.0000485900000000, 0.0008271000000000, 0.0004058000000000 ] - [ 0.0003058700000000, 0.0000000000000000, -0.0011542100000000 ] - [ -0.0000700200000000, -0.0000981100000000, -0.0002640700000000 ] - [ -0.0004429400000000, 0.0000000000000000, 0.0000007400000000 ] - [ 0.0028334600000000, -0.0000753100000000, 0.0012895600000000 ] - [ 0.0004977100000000, -0.0009925900000000, 0.0008316500000000 ] - [ -0.0001034600000000, 0.0000144500000000, -0.0000372200000000 ] - [ -0.0000078100000000, -0.0023114900000000, 0.0002785900000000 ] - [ -0.0000264900000000, 0.0000577300000000, -0.0001636000000000 ] - [ 0.0028334600000000, 0.0000753100000000, 0.0012895600000000 ] - [ 0.0001802900000000, -0.0012328300000000, -0.0014489500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002414500000000, -0.0004182100000000, 0.0027804700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0485367600000000 ] - [ -0.0004829100000000, 0.0000000000000000, 0.0027804700000000 ] - [ 0.0002414500000000, 0.0004182100000000, 0.0027804700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013933400000000 ] - [ -0.0016871000000000, -0.0008701300000000, -0.0043966400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053404900000000 ] - [ -0.0061193600000000, 0.0023151200000000, 0.0033395500000000 ] - [ 0.0000489100000000, -0.0000847100000000, 0.0026709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028365200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057304000000000 ] - [ -0.0003378700000000, 0.0000582500000000, 0.0018033700000000 ] - [ 0.0002193800000000, 0.0002634800000000, 0.0018033700000000 ] - [ 0.0015971000000000, 0.0010260100000000, -0.0043966400000000 ] - [ 0.0000294300000000, -0.0000509700000000, 0.0016859000000000 ] - [ -0.0016871000000000, 0.0008701300000000, -0.0043966400000000 ] - [ 0.0006670600000000, 0.0011553800000000, -0.0107008000000000 ] - [ 0.0002319800000000, 0.0000051300000000, 0.0021610300000000 ] - [ -0.0000824200000000, -0.0001427500000000, -0.0005052600000000 ] - [ -0.0001115500000000, 0.0002034700000000, 0.0021610300000000 ] - [ 0.0000900000000000, -0.0018961400000000, -0.0043966400000000 ] - [ -0.0040008000000000, -0.0069295900000000, -0.0124883100000000 ] - [ -0.0000532500000000, -0.0000922400000000, 0.0018473100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017141000000000 ] - [ -0.0001508800000000, 0.0000000000000000, 0.0015785400000000 ] - [ 0.0080016000000000, 0.0000000000000000, -0.0124883100000000 ] - [ 0.0010547300000000, -0.0064570800000000, 0.0033395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016715800000000 ] - [ 0.0006670600000000, -0.0011553800000000, -0.0107008000000000 ] - [ -0.0061193600000000, -0.0023151200000000, 0.0033395500000000 ] - [ 0.0015971000000000, -0.0010260100000000, -0.0043966400000000 ] - [ 0.0001065100000000, 0.0000000000000000, 0.0018473100000000 ] - [ -0.0000978200000000, 0.0000000000000000, 0.0026709800000000 ] - [ -0.0000532500000000, 0.0000922400000000, 0.0018473100000000 ] - [ 0.0050646300000000, 0.0041419600000000, 0.0033395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016715800000000 ] - [ 0.0002193800000000, -0.0002634800000000, 0.0018033700000000 ] - [ 0.0034164700000000, -0.0059175100000000, 0.0062783200000000 ] - [ -0.0003378700000000, -0.0000582500000000, 0.0018033700000000 ] - [ 0.0002319800000000, -0.0000051300000000, 0.0021610300000000 ] - [ -0.0013341200000000, 0.0000000000000000, -0.0107008000000000 ] - [ 0.0001184900000000, -0.0003217300000000, 0.0018033700000000 ] - [ 0.0000754400000000, 0.0001306600000000, 0.0015785400000000 ] - [ 0.0000900000000000, 0.0018961400000000, -0.0043966400000000 ] - [ -0.0001204400000000, 0.0001983400000000, 0.0021610300000000 ] - [ 0.0010547300000000, 0.0064570800000000, 0.0033395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017141000000000 ] - [ -0.0022621500000000, -0.0039181600000000, 0.0004610000000000 ] - [ 0.0045243000000000, 0.0000000000000000, 0.0004610000000000 ] - [ -0.0001163600000000, 0.0002015400000000, 0.0017240900000000 ] - [ -0.0040008000000000, 0.0069295900000000, -0.0124883100000000 ] - [ 0.0034164700000000, 0.0059175100000000, 0.0062783200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057304000000000 ] - [ 0.0050646300000000, -0.0041419600000000, 0.0033395500000000 ] - [ 0.0000294300000000, 0.0000509700000000, 0.0016859000000000 ] - [ -0.0001163600000000, -0.0002015400000000, 0.0017240900000000 ] - [ 0.0001184900000000, 0.0003217300000000, 0.0018033700000000 ] - [ 0.0001648400000000, 0.0000000000000000, -0.0005052600000000 ] - [ -0.0000588500000000, 0.0000000000000000, 0.0016859000000000 ] - [ 0.0000754400000000, -0.0001306600000000, 0.0015785400000000 ] - [ 0.0002327200000000, 0.0000000000000000, 0.0017240900000000 ] - [ -0.0022621500000000, 0.0039181600000000, 0.0004610000000000 ] - [ -0.0001204400000000, -0.0001983400000000, 0.0021610300000000 ] - [ -0.0001115500000000, -0.0002034700000000, 0.0021610300000000 ] - [ -0.0068329500000000, 0.0000000000000000, 0.0062783200000000 ] - [ -0.0000824200000000, 0.0001427500000000, -0.0005052600000000 ] - [ 0.0000489100000000, 0.0000847100000000, 0.0026709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013933400000000 ] - [ -0.0001474900000000, -0.0000087300000000, -0.0015285600000000 ] - [ -0.0018353600000000, 0.0031789300000000, 0.0017168100000000 ] - [ -0.0000997200000000, -0.0012697900000000, 0.0018193000000000 ] - [ -0.0001196100000000, 0.0002071700000000, -0.0014987000000000 ] - [ -0.0002256600000000, -0.0003908500000000, -0.0017172100000000 ] - [ -0.0020795400000000, 0.0015947700000000, 0.0030922600000000 ] - [ -0.0016634800000000, 0.0028812300000000, 0.0018691000000000 ] - [ 0.0000220900000000, -0.0000425800000000, -0.0013549200000000 ] - [ 0.0005217300000000, 0.0009036600000000, -0.0014737600000000 ] - [ -0.0010434600000000, 0.0000000000000000, -0.0014737600000000 ] - [ 0.0000871600000000, -0.0001971900000000, -0.0014532700000000 ] - [ 0.0011495300000000, -0.0005485300000000, 0.0018193000000000 ] - [ 0.0000661900000000, 0.0001321000000000, -0.0015285600000000 ] - [ -0.0005244100000000, -0.0001085400000000, -0.0001822600000000 ] - [ -0.0003576100000000, -0.0008683900000000, 0.0074611800000000 ] - [ 0.0003562000000000, -0.0003998900000000, -0.0001822600000000 ] - [ -0.0016634800000000, -0.0028812300000000, 0.0018691000000000 ] - [ 0.0002392100000000, 0.0000000000000000, -0.0014987000000000 ] - [ 0.0019609200000000, 0.0000000000000000, -0.0026467400000000 ] - [ -0.0018353600000000, -0.0031789300000000, 0.0017168100000000 ] - [ -0.0002143500000000, -0.0000231200000000, -0.0014532700000000 ] - [ -0.0000234300000000, 0.0000000000000000, -0.0010939200000000 ] - [ -0.0003576100000000, 0.0008683900000000, 0.0074611800000000 ] - [ -0.0005732400000000, 0.0007439000000000, 0.0074611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034865000000000 ] - [ 0.0009308600000000, -0.0001244900000000, 0.0074611800000000 ] - [ -0.0006645200000000, 0.0011509900000000, -0.0023225300000000 ] - [ -0.0000338400000000, -0.0000586100000000, -0.0013824100000000 ] - [ -0.0000479200000000, 0.0000021600000000, -0.0013549200000000 ] - [ 0.0005217300000000, -0.0009036600000000, -0.0014737600000000 ] - [ -0.0017245300000000, -0.0029869700000000, 0.0129065300000000 ] - [ -0.0000452400000000, 0.0003468700000000, -0.0013643800000000 ] - [ 0.0000258300000000, -0.0000404200000000, -0.0013549200000000 ] - [ -0.0002256600000000, 0.0003908500000000, -0.0017172100000000 ] - [ 0.0000220900000000, 0.0000425800000000, -0.0013549200000000 ] - [ -0.0002777800000000, 0.0002126100000000, -0.0013643800000000 ] - [ 0.0007560100000000, 0.0000000000000000, 0.0039609400000000 ] - [ -0.0020795400000000, -0.0015947700000000, 0.0030922600000000 ] - [ 0.0001272000000000, -0.0001740800000000, -0.0014532700000000 ] - [ -0.0018331000000000, 0.0000000000000000, -0.0010290800000000 ] - [ 0.0004513100000000, 0.0000000000000000, -0.0017172100000000 ] - [ 0.0000117200000000, -0.0000202900000000, -0.0010939200000000 ] - [ -0.0000997200000000, 0.0012697900000000, 0.0018193000000000 ] - [ -0.0002777800000000, -0.0002126100000000, -0.0013643800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013792700000000 ] - [ 0.0021920900000000, 0.0037968100000000, -0.0042528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016491200000000 ] - [ -0.0001209100000000, 0.0002094200000000, -0.0009799400000000 ] - [ 0.0021920900000000, -0.0037968100000000, -0.0042528400000000 ] - [ -0.0009804600000000, 0.0016982100000000, -0.0026467400000000 ] - [ 0.0001682100000000, 0.0005084200000000, -0.0001822600000000 ] - [ -0.0009804600000000, -0.0016982100000000, -0.0026467400000000 ] - [ -0.0003780100000000, 0.0006547200000000, 0.0039609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016491200000000 ] - [ -0.0005732400000000, -0.0007439000000000, 0.0074611800000000 ] - [ 0.0003230200000000, -0.0001342600000000, -0.0013643800000000 ] - [ 0.0034490600000000, 0.0000000000000000, 0.0129065300000000 ] - [ -0.0043841700000000, 0.0000000000000000, -0.0042528400000000 ] - [ -0.0002890000000000, 0.0005005600000000, -0.0016061100000000 ] - [ 0.0000117200000000, 0.0000202900000000, -0.0010939200000000 ] - [ 0.0033269600000000, 0.0000000000000000, 0.0018691000000000 ] - [ 0.0024208800000000, -0.0010035500000000, 0.0030922600000000 ] - [ -0.0002143500000000, 0.0000231200000000, -0.0014532700000000 ] - [ 0.0009165500000000, 0.0015875100000000, -0.0010290800000000 ] - [ -0.0006645200000000, -0.0011509900000000, -0.0023225300000000 ] - [ 0.0036707100000000, 0.0000000000000000, 0.0017168100000000 ] - [ 0.0001232700000000, 0.0000000000000000, -0.0011234800000000 ] - [ 0.0000676800000000, 0.0000000000000000, -0.0013824100000000 ] - [ 0.0009308600000000, 0.0001244900000000, 0.0074611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013792700000000 ] - [ -0.0000452400000000, -0.0003468700000000, -0.0013643800000000 ] - [ 0.0003562000000000, 0.0003998900000000, -0.0001822600000000 ] - [ 0.0005779900000000, 0.0000000000000000, -0.0016061100000000 ] - [ 0.0000813100000000, -0.0001233700000000, -0.0015285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034865000000000 ] - [ 0.0000871600000000, 0.0001971900000000, -0.0014532700000000 ] - [ -0.0003413400000000, 0.0025983200000000, 0.0030922600000000 ] - [ -0.0003780100000000, -0.0006547200000000, 0.0039609400000000 ] - [ -0.0000616400000000, 0.0001067600000000, -0.0011234800000000 ] - [ 0.0000258300000000, 0.0000404200000000, -0.0013549200000000 ] - [ -0.0002890000000000, -0.0005005600000000, -0.0016061100000000 ] - [ -0.0001209100000000, -0.0002094200000000, -0.0009799400000000 ] - [ 0.0002418200000000, 0.0000000000000000, -0.0009799400000000 ] - [ -0.0000338400000000, 0.0000586100000000, -0.0013824100000000 ] - [ -0.0017245300000000, 0.0029869700000000, 0.0129065300000000 ] - [ -0.0000616400000000, -0.0001067600000000, -0.0011234800000000 ] - [ 0.0024208800000000, 0.0010035500000000, 0.0030922600000000 ] - [ 0.0000813100000000, 0.0001233700000000, -0.0015285600000000 ] - [ 0.0011495300000000, 0.0005485300000000, 0.0018193000000000 ] - [ 0.0000661900000000, -0.0001321000000000, -0.0015285600000000 ] - [ 0.0003230200000000, 0.0001342600000000, -0.0013643800000000 ] - [ -0.0001196100000000, -0.0002071700000000, -0.0014987000000000 ] - [ 0.0001682100000000, -0.0005084200000000, -0.0001822600000000 ] - [ 0.0013290400000000, 0.0000000000000000, -0.0023225300000000 ] - [ -0.0001474900000000, 0.0000087300000000, -0.0015285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026449600000000 ] - [ -0.0010498000000000, 0.0007212600000000, 0.0018193000000000 ] - [ -0.0005244100000000, 0.0001085400000000, -0.0001822600000000 ] - [ -0.0000479200000000, -0.0000021600000000, -0.0013549200000000 ] - [ -0.0003413400000000, -0.0025983200000000, 0.0030922600000000 ] - [ 0.0001272000000000, 0.0001740800000000, -0.0014532700000000 ] - [ -0.0010498000000000, -0.0007212600000000, 0.0018193000000000 ] - [ 0.0009165500000000, -0.0015875100000000, -0.0010290800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001809600000000, 0.0003134400000000, -0.0027804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0478366300000000 ] - [ 0.0003619300000000, 0.0000000000000000, -0.0027804100000000 ] - [ -0.0001809600000000, -0.0003134400000000, -0.0027804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020058800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010619800000000 ] - [ 0.0013563900000000, 0.0012929600000000, 0.0042536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061380200000000 ] - [ 0.0062236000000000, -0.0020824200000000, -0.0032518700000000 ] - [ -0.0000705400000000, 0.0001221800000000, -0.0022499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063240000000000 ] - [ 0.0000941900000000, -0.0000839800000000, -0.0018841400000000 ] - [ -0.0001198200000000, -0.0000395800000000, -0.0018841400000000 ] - [ -0.0017979300000000, -0.0005281800000000, 0.0042536700000000 ] - [ 0.0000377900000000, -0.0000654500000000, -0.0023126900000000 ] - [ 0.0013563900000000, -0.0012929600000000, 0.0042536700000000 ] - [ -0.0006405200000000, -0.0011094100000000, 0.0113053300000000 ] - [ 0.0002894300000000, 0.0000627500000000, -0.0019642700000000 ] - [ -0.0001942200000000, -0.0003364000000000, 0.0003930900000000 ] - [ -0.0000903700000000, 0.0002820300000000, -0.0019642700000000 ] - [ 0.0004415500000000, 0.0018211500000000, 0.0042536700000000 ] - [ 0.0040920600000000, 0.0070876600000000, 0.0130144800000000 ] - [ -0.0002257100000000, -0.0003909400000000, -0.0017485200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020537300000000 ] - [ -0.0000079700000000, 0.0000000000000000, -0.0022320000000000 ] - [ -0.0081841300000000, 0.0000000000000000, 0.0130144800000000 ] - [ -0.0013083800000000, 0.0064310100000000, -0.0032518700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022978600000000 ] - [ -0.0006405200000000, 0.0011094100000000, 0.0113053300000000 ] - [ 0.0062236000000000, 0.0020824200000000, -0.0032518700000000 ] - [ -0.0017979300000000, 0.0005281800000000, 0.0042536700000000 ] - [ 0.0004514100000000, 0.0000000000000000, -0.0017485200000000 ] - [ 0.0001410800000000, 0.0000000000000000, -0.0022499100000000 ] - [ -0.0002257100000000, 0.0003909400000000, -0.0017485200000000 ] - [ -0.0049152300000000, -0.0043485900000000, -0.0032518700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022978600000000 ] - [ -0.0001198200000000, 0.0000395800000000, -0.0018841400000000 ] - [ -0.0034753200000000, 0.0060194400000000, -0.0067587700000000 ] - [ 0.0000941900000000, 0.0000839800000000, -0.0018841400000000 ] - [ 0.0002894300000000, -0.0000627500000000, -0.0019642700000000 ] - [ 0.0012810400000000, 0.0000000000000000, 0.0113053300000000 ] - [ 0.0000256300000000, 0.0001235600000000, -0.0018841400000000 ] - [ 0.0000039900000000, 0.0000069100000000, -0.0022320000000000 ] - [ 0.0004415500000000, -0.0018211500000000, 0.0042536700000000 ] - [ -0.0001990600000000, 0.0002192800000000, -0.0019642700000000 ] - [ -0.0013083800000000, -0.0064310100000000, -0.0032518700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020537300000000 ] - [ 0.0023754800000000, 0.0041144500000000, 0.0001206900000000 ] - [ -0.0047509600000000, 0.0000000000000000, 0.0001206900000000 ] - [ 0.0002127000000000, -0.0003684000000000, -0.0022910200000000 ] - [ 0.0040920600000000, -0.0070876600000000, 0.0130144800000000 ] - [ -0.0034753200000000, -0.0060194400000000, -0.0067587700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0063240000000000 ] - [ -0.0049152300000000, 0.0043485900000000, -0.0032518700000000 ] - [ 0.0000377900000000, 0.0000654500000000, -0.0023126900000000 ] - [ 0.0002127000000000, 0.0003684000000000, -0.0022910200000000 ] - [ 0.0000256300000000, -0.0001235600000000, -0.0018841400000000 ] - [ 0.0003884400000000, 0.0000000000000000, 0.0003930900000000 ] - [ -0.0000755700000000, 0.0000000000000000, -0.0023126900000000 ] - [ 0.0000039900000000, -0.0000069100000000, -0.0022320000000000 ] - [ -0.0004254000000000, 0.0000000000000000, -0.0022910200000000 ] - [ 0.0023754800000000, -0.0041144500000000, 0.0001206900000000 ] - [ -0.0001990600000000, -0.0002192800000000, -0.0019642700000000 ] - [ -0.0000903700000000, -0.0002820300000000, -0.0019642700000000 ] - [ 0.0069506500000000, 0.0000000000000000, -0.0067587700000000 ] - [ -0.0001942200000000, 0.0003364000000000, 0.0003930900000000 ] - [ -0.0000705400000000, -0.0001221800000000, -0.0022499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010619800000000 ] - [ -0.0000688300000000, 0.0001170800000000, 0.0011134900000000 ] - [ 0.0018871000000000, -0.0032685500000000, -0.0025593800000000 ] - [ 0.0002615900000000, 0.0011005800000000, -0.0017130800000000 ] - [ -0.0000280900000000, 0.0000486500000000, 0.0012345000000000 ] - [ 0.0002088900000000, 0.0003618100000000, 0.0011803000000000 ] - [ 0.0021756200000000, -0.0017737800000000, -0.0030056300000000 ] - [ 0.0016599800000000, -0.0028751700000000, -0.0013555100000000 ] - [ 0.0000881500000000, -0.0001376900000000, 0.0012874300000000 ] - [ -0.0003029900000000, -0.0005248000000000, 0.0014716000000000 ] - [ 0.0006059900000000, 0.0000000000000000, 0.0014716000000000 ] - [ 0.0000272900000000, 0.0001919900000000, 0.0010839200000000 ] - [ -0.0010839300000000, 0.0003237400000000, -0.0017130800000000 ] - [ 0.0001358100000000, 0.0000010700000000, 0.0011134900000000 ] - [ 0.0005358100000000, 0.0003472000000000, 0.0006045300000000 ] - [ 0.0002720400000000, 0.0009416500000000, -0.0070957100000000 ] - [ -0.0005685900000000, 0.0002904300000000, 0.0006045300000000 ] - [ 0.0016599800000000, 0.0028751700000000, -0.0013555100000000 ] - [ 0.0000561800000000, 0.0000000000000000, 0.0012345000000000 ] - [ -0.0012468800000000, 0.0000000000000000, 0.0030008700000000 ] - [ 0.0018871000000000, 0.0032685500000000, -0.0025593800000000 ] - [ 0.0001526300000000, 0.0001196300000000, 0.0010839200000000 ] - [ -0.0001017200000000, 0.0000000000000000, 0.0019641300000000 ] - [ 0.0002720400000000, -0.0009416500000000, -0.0070957100000000 ] - [ 0.0006794700000000, -0.0007064200000000, -0.0070957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038186200000000 ] - [ -0.0009515100000000, 0.0002352300000000, -0.0070957100000000 ] - [ 0.0003446100000000, -0.0005968900000000, 0.0023273100000000 ] - [ 0.0000632500000000, 0.0001095500000000, 0.0014668600000000 ] - [ -0.0001633200000000, -0.0000075000000000, 0.0012874300000000 ] - [ -0.0003029900000000, 0.0005248000000000, 0.0014716000000000 ] - [ 0.0015396200000000, 0.0026666900000000, -0.0125391100000000 ] - [ 0.0002040300000000, -0.0001709300000000, 0.0012348800000000 ] - [ 0.0000751700000000, -0.0001451900000000, 0.0012874300000000 ] - [ 0.0002088900000000, -0.0003618100000000, 0.0011803000000000 ] - [ 0.0000881500000000, 0.0001376900000000, 0.0012874300000000 ] - [ 0.0000460200000000, -0.0002621600000000, 0.0012348800000000 ] - [ -0.0004568200000000, 0.0000000000000000, -0.0037017900000000 ] - [ 0.0021756200000000, 0.0017737800000000, -0.0030056300000000 ] - [ -0.0001799200000000, 0.0000723700000000, 0.0010839200000000 ] - [ 0.0020902900000000, 0.0000000000000000, 0.0010616700000000 ] - [ -0.0004177800000000, 0.0000000000000000, 0.0011803000000000 ] - [ 0.0000508600000000, -0.0000880900000000, 0.0019641300000000 ] - [ 0.0002615900000000, -0.0011005800000000, -0.0017130800000000 ] - [ 0.0000460200000000, 0.0002621600000000, 0.0012348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016995300000000 ] - [ -0.0026145400000000, -0.0045285100000000, 0.0039428500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016524200000000 ] - [ -0.0002830000000000, 0.0004901600000000, 0.0012987100000000 ] - [ -0.0026145400000000, 0.0045285100000000, 0.0039428500000000 ] - [ 0.0006234400000000, -0.0010798300000000, 0.0030008700000000 ] - [ 0.0000327800000000, -0.0006376200000000, 0.0006045300000000 ] - [ 0.0006234400000000, 0.0010798300000000, 0.0030008700000000 ] - [ 0.0002284100000000, -0.0003956100000000, -0.0037017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016524200000000 ] - [ 0.0006794700000000, 0.0007064200000000, -0.0070957100000000 ] - [ -0.0002500400000000, -0.0000912300000000, 0.0012348800000000 ] - [ -0.0030792300000000, 0.0000000000000000, -0.0125391100000000 ] - [ 0.0052290700000000, 0.0000000000000000, 0.0039428500000000 ] - [ -0.0000594700000000, 0.0001030100000000, 0.0012380800000000 ] - [ 0.0000508600000000, 0.0000880900000000, 0.0019641300000000 ] - [ -0.0033199700000000, 0.0000000000000000, -0.0013555100000000 ] - [ -0.0026239500000000, 0.0009972500000000, -0.0030056300000000 ] - [ 0.0001526300000000, -0.0001196300000000, 0.0010839200000000 ] - [ -0.0010451400000000, -0.0018102400000000, 0.0010616700000000 ] - [ 0.0003446100000000, 0.0005968900000000, 0.0023273100000000 ] - [ -0.0037741900000000, 0.0000000000000000, -0.0025593800000000 ] - [ 0.0001355200000000, 0.0000000000000000, 0.0011103200000000 ] - [ -0.0001264900000000, 0.0000000000000000, 0.0014668600000000 ] - [ -0.0009515100000000, -0.0002352300000000, -0.0070957100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016995300000000 ] - [ 0.0002040300000000, 0.0001709300000000, 0.0012348800000000 ] - [ -0.0005685900000000, -0.0002904300000000, 0.0006045300000000 ] - [ 0.0001189400000000, 0.0000000000000000, 0.0012380800000000 ] - [ -0.0000669800000000, -0.0001181500000000, 0.0011134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038186200000000 ] - [ 0.0000272900000000, -0.0001919900000000, 0.0010839200000000 ] - [ 0.0004483300000000, -0.0027710300000000, -0.0030056300000000 ] - [ 0.0002284100000000, 0.0003956100000000, -0.0037017900000000 ] - [ -0.0000677600000000, 0.0001173700000000, 0.0011103200000000 ] - [ 0.0000751700000000, 0.0001451900000000, 0.0012874300000000 ] - [ -0.0000594700000000, -0.0001030100000000, 0.0012380800000000 ] - [ -0.0002830000000000, -0.0004901600000000, 0.0012987100000000 ] - [ 0.0005659900000000, 0.0000000000000000, 0.0012987100000000 ] - [ 0.0000632500000000, -0.0001095500000000, 0.0014668600000000 ] - [ 0.0015396200000000, -0.0026666900000000, -0.0125391100000000 ] - [ -0.0000677600000000, -0.0001173700000000, 0.0011103200000000 ] - [ -0.0026239500000000, -0.0009972500000000, -0.0030056300000000 ] - [ -0.0000669800000000, 0.0001181500000000, 0.0011134900000000 ] - [ -0.0010839300000000, -0.0003237400000000, -0.0017130800000000 ] - [ 0.0001358100000000, -0.0000010700000000, 0.0011134900000000 ] - [ -0.0002500400000000, 0.0000912300000000, 0.0012348800000000 ] - [ -0.0000280900000000, -0.0000486500000000, 0.0012345000000000 ] - [ 0.0000327800000000, 0.0006376200000000, 0.0006045300000000 ] - [ -0.0006892300000000, 0.0000000000000000, 0.0023273100000000 ] - [ -0.0000688300000000, -0.0001170800000000, 0.0011134900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026384900000000 ] - [ 0.0008223300000000, -0.0007768400000000, -0.0017130800000000 ] - [ 0.0005358100000000, -0.0003472000000000, 0.0006045300000000 ] - [ -0.0001633200000000, 0.0000075000000000, 0.0012874300000000 ] - [ 0.0004483300000000, 0.0027710300000000, -0.0030056300000000 ] - [ -0.0001799200000000, -0.0000723700000000, 0.0010839200000000 ] - [ 0.0008223300000000, 0.0007768400000000, -0.0017130800000000 ] - [ -0.0010451400000000, 0.0018102400000000, 0.0010616700000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007891800000000, 0.0060427100000000, 0.0062544000000000 ] - [ 0.0000260900000000, -0.0000052900000000, -0.0000010900000000 ] - [ 0.0008353400000000, -0.0000063500000000, 0.0001998900000000 ] - [ 0.0008842900000000, -0.0061980700000000, 0.0065207800000000 ] - [ 0.0114923300000000, 0.0001559000000000, -0.0127202300000000 ] - [ -0.0000391600000000, 0.0000014000000000, -0.0000010900000000 ] - [ 0.0000389700000000, 0.0000253700000000, -0.0002024400000000 ] - [ -0.2581059400000000, 0.0001885100000000, 0.0029229000000000 ] - [ -0.0006823800000000, 0.0001770700000000, 0.0003298700000000 ] - [ 0.0030006800000000, 0.0025345100000000, -0.0004195500000000 ] - [ 0.0137418000000000, -0.0099079000000000, -0.0114057400000000 ] - [ 0.0000024900000000, 0.0000179900000000, 0.0002025800000000 ] - [ 0.0007520100000000, 0.0009275900000000, 0.0004258800000000 ] - [ -0.0093572500000000, -0.0000848200000000, 0.0003496700000000 ] - [ 0.0008159900000000, -0.0000445100000000, -0.0006347500000000 ] - [ 0.0001871500000000, 0.0005712900000000, 0.0002491100000000 ] - [ 0.0000767400000000, -0.0001921400000000, 0.0000803300000000 ] - [ 0.0000918800000000, -0.0000514900000000, -0.0002624200000000 ] - [ -0.0000168300000000, -0.0000385100000000, -0.0001108200000000 ] - [ 0.0005195500000000, -0.0000828600000000, 0.0039438000000000 ] - [ 0.0002372400000000, 0.0000262700000000, 0.0000937700000000 ] - [ 0.0143432800000000, -0.0197074200000000, 0.0160951500000000 ] - [ -0.0000946500000000, 0.0002229400000000, 0.0000914600000000 ] - [ 0.0009435500000000, -0.0001390500000000, -0.0002696800000000 ] - [ 0.0002587400000000, -0.0017954100000000, 0.0017419800000000 ] - [ -0.0005174700000000, -0.0005082500000000, -0.0005895700000000 ] - [ 0.0003023500000000, -0.0000011100000000, -0.0001747400000000 ] - [ -0.0000877700000000, -0.0000159800000000, -0.0002498400000000 ] - [ 0.0000578700000000, 0.0017167900000000, 0.0016232500000000 ] - [ -0.0116969800000000, 0.0044243600000000, -0.0044263800000000 ] - [ -0.0001577000000000, 0.0000015100000000, -0.0003151800000000 ] - [ -0.0006315200000000, 0.0007582400000000, -0.0015925800000000 ] - [ 0.0023759400000000, -0.0055346500000000, 0.0005963400000000 ] - [ -0.0006377000000000, -0.0001935600000000, -0.0008623900000000 ] - [ -0.0001021300000000, 0.0001424900000000, 0.0002576900000000 ] - [ 0.0000263600000000, 0.0000091200000000, 0.0002221200000000 ] - [ -0.0001767200000000, 0.0001792100000000, 0.0004752000000000 ] - [ 0.0134948800000000, 0.0190317600000000, 0.0158716700000000 ] - [ 0.0001114800000000, -0.0000947300000000, -0.0003132500000000 ] - [ -0.0003612300000000, 0.0001514700000000, -0.0006780600000000 ] - [ 0.0001258400000000, -0.0000229100000000, -0.0002965800000000 ] - [ -0.0004896400000000, -0.0001506000000000, 0.0001572400000000 ] - [ 0.0002796700000000, -0.0000406800000000, 0.0000976800000000 ] - [ -0.0010209200000000, -0.0006595300000000, -0.0013647400000000 ] - [ 0.0001853100000000, -0.0005786800000000, 0.0002657400000000 ] - [ 0.0000572900000000, 0.0000598100000000, -0.0004810700000000 ] - [ -0.0001997200000000, 0.0000563400000000, 0.0002334800000000 ] - [ -0.0001864400000000, 0.0002145400000000, 0.0000893800000000 ] - [ 0.0115856000000000, -0.0001696900000000, -0.0011025400000000 ] - [ 0.0006878800000000, -0.0009023400000000, -0.0001645300000000 ] - [ 0.0001064800000000, 0.0000880100000000, 0.0004178700000000 ] - [ -0.0001472500000000, -0.0000736500000000, 0.0002220700000000 ] - [ 0.0000458200000000, -0.0000754600000000, -0.0002932500000000 ] - [ 0.0032956300000000, -0.0000394600000000, -0.0024366900000000 ] - [ -0.0000173800000000, -0.0000948900000000, -0.0001910500000000 ] - [ 0.0016460700000000, 0.0001841000000000, 0.0003105400000000 ] - [ 0.0024462000000000, 0.0054010000000000, 0.0005904800000000 ] - [ -0.0000171300000000, -0.0000065500000000, -0.0003403100000000 ] - [ 0.0000537700000000, 0.0000852100000000, -0.0002701900000000 ] - [ 0.0000410900000000, 0.0001889400000000, 0.0003948700000000 ] - [ -0.0118533900000000, -0.0049836700000000, -0.0046903600000000 ] - [ -0.0001253800000000, 0.0000670000000000, -0.0003398800000000 ] - [ 0.0000372600000000, -0.0000578600000000, -0.0002521000000000 ] - [ -0.0000976400000000, -0.0000019300000000, -0.0002885100000000 ] - [ -0.0000172900000000, -0.0000212700000000, 0.0002064500000000 ] - [ -0.0001594300000000, -0.0002093800000000, 0.0001051200000000 ] - [ -0.0001129000000000, -0.0002410100000000, 0.0001107100000000 ] - [ 0.0000575800000000, 0.0000651700000000, -0.0001562600000000 ] - [ 0.0135531000000000, 0.0111858800000000, -0.0116428800000000 ] - [ -0.0000107600000000, -0.0000227400000000, 0.0002133700000000 ] - [ 0.0028364400000000, -0.0023144400000000, 0.0001715200000000 ] - [ 0.0001398500000000, 0.0005380900000000, -0.0008413500000000 ] - [ -0.0011490900000000, -0.0032069100000000, 0.0034035000000000 ] - [ 0.0002394500000000, -0.0001206100000000, 0.0001229600000000 ] - [ -0.0000922100000000, 0.0001276800000000, -0.0001515000000000 ] - [ -0.0000045100000000, -0.0000086300000000, -0.0002661600000000 ] - [ 0.0007214100000000, -0.0016268600000000, -0.0004651000000000 ] - [ -0.0002444600000000, 0.0000441000000000, 0.0004874100000000 ] - [ 0.0001813500000000, -0.0000122400000000, 0.0000431200000000 ] - [ 0.0001026300000000, 0.0001900300000000, -0.0000375500000000 ] - [ -0.0002163300000000, 0.0000077500000000, 0.0000143100000000 ] - [ 0.0000146000000000, 0.0000016900000000, -0.0001709400000000 ] - [ -0.0000263600000000, -0.0002398900000000, 0.0001859200000000 ] - [ -0.0004271700000000, 0.0009716400000000, 0.0010148400000000 ] - [ 0.1147775400000000, 0.0015092300000000, 0.0327904100000000 ] - [ -0.0001495400000000, 0.0008460100000000, 0.0004313400000000 ] - [ 0.0484930900000000, -0.0431395400000000, -0.0179608400000000 ] - [ 0.0000558500000000, 0.0001510200000000, 0.0001448600000000 ] - [ 0.0001660700000000, -0.0000156400000000, -0.0001451400000000 ] - [ -0.0025978300000000, 0.0032948900000000, 0.0003091500000000 ] - [ -0.0065532400000000, 0.0004262900000000, -0.0085401700000000 ] - [ -0.0000095500000000, 0.0000256100000000, -0.0001451600000000 ] - [ -0.0000139700000000, -0.0000288000000000, 0.0002908000000000 ] - [ -0.0001494900000000, 0.0004261100000000, 0.0014914300000000 ] - [ -0.0013734600000000, 0.0001239200000000, -0.0002939800000000 ] - [ -0.0003485900000000, -0.0000977800000000, -0.0001581300000000 ] - [ 0.0002848800000000, -0.0004065300000000, -0.0007648100000000 ] - [ -0.0001834700000000, 0.0002918300000000, 0.0000359300000000 ] - [ 0.0000884000000000, 0.0001632900000000, -0.0000084100000000 ] - [ -0.0000974000000000, -0.0000006000000000, -0.0001705100000000 ] - [ 0.0001174400000000, -0.0001999900000000, 0.0000266800000000 ] - [ 0.0006790000000000, 0.0016995800000000, -0.0008362200000000 ] - [ 0.0000738500000000, 0.0000931800000000, -0.0000641500000000 ] - [ 0.0001230600000000, -0.0002119600000000, -0.0001149100000000 ] - [ -0.0000155300000000, 0.0000132900000000, -0.0002683600000000 ] - [ -0.0001698500000000, 0.0000849800000000, -0.0000650200000000 ] - [ -0.0001105200000000, -0.0000261500000000, -0.0000647400000000 ] - [ 0.0007027000000000, -0.0004188900000000, -0.0002711000000000 ] - [ 0.0062824000000000, -0.0037342900000000, -0.0029859800000000 ] - [ -0.0000360200000000, -0.0000527800000000, -0.0002086500000000 ] - [ 0.0030262600000000, -0.0082670900000000, -0.0022254900000000 ] - [ 0.0000225000000000, -0.0000072700000000, -0.0002710800000000 ] - [ 0.0000677200000000, -0.0000321300000000, 0.0002958500000000 ] - [ -0.0000433700000000, 0.0000983200000000, -0.0000391500000000 ] - [ -0.0001143200000000, 0.0000266800000000, -0.0000640200000000 ] - [ 0.0000248300000000, 0.0000025000000000, 0.0001610200000000 ] - [ -0.0002824800000000, -0.0003604500000000, -0.0002109500000000 ] - [ 0.0209716700000000, -0.0000039800000000, -0.0005646500000000 ] - [ -0.0002045000000000, 0.0003421800000000, 0.0001571900000000 ] - [ -0.0001918700000000, 0.0003347900000000, -0.0001596600000000 ] - [ -0.0002933300000000, -0.0045233400000000, 0.0001042800000000 ] - [ 0.0458185600000000, 0.0409771700000000, -0.0163814200000000 ] - [ -0.0087620100000000, -0.0035296400000000, 0.0001455600000000 ] - [ -0.0005499800000000, -0.0002109800000000, 0.0014466100000000 ] - [ -0.0011576400000000, 0.0010845800000000, -0.0000040100000000 ] - [ 0.0009588800000000, 0.0003954900000000, -0.0001707300000000 ] - [ 0.0000326800000000, -0.0001155400000000, -0.0000628200000000 ] - [ -0.0008083000000000, -0.0020239700000000, -0.0013261600000000 ] - [ 0.0003712200000000, 0.0000656000000000, -0.0001051100000000 ] - [ 0.0000673100000000, -0.0001681900000000, -0.0008232800000000 ] - [ 0.0001136400000000, 0.0000617600000000, 0.0007224900000000 ] - [ 0.0000506800000000, -0.0001625300000000, 0.0001762700000000 ] - [ -0.0011424200000000, -0.0001667700000000, 0.0069064400000000 ] - [ -0.0000268200000000, -0.0000708900000000, -0.0001906200000000 ] - [ 0.0025090700000000, 0.0084319100000000, -0.0022519900000000 ] - [ -0.0001551400000000, -0.0002592600000000, -0.0000129200000000 ] - [ -0.0008766700000000, 0.0032567800000000, 0.0037767500000000 ] - [ 0.0003455900000000, -0.0003754400000000, 0.0002204700000000 ] - [ -0.0000015800000000, -0.0001863200000000, 0.0001577200000000 ] - [ -0.0002268500000000, -0.0007162600000000, 0.0004171500000000 ] - [ -0.0000123000000000, 0.0000052200000000, 0.0001607100000000 ] - [ 0.0000835400000000, -0.0000856600000000, -0.0000637900000000 ] - [ -0.0000598100000000, 0.0049359100000000, 0.0002176300000000 ] - [ -0.0001890600000000, -0.0000418800000000, -0.0008376700000000 ] - [ -0.0004940400000000, -0.0000972200000000, -0.0008029100000000 ] - [ 0.0010234300000000, 0.0000453900000000, -0.0001598500000000 ] - [ 0.0000817200000000, 0.0000177400000000, -0.0001988300000000 ] - [ 0.0058102000000000, 0.0042336400000000, -0.0038014000000000 ] - [ 0.0000343100000000, 0.0003877700000000, -0.0007775400000000 ] - [ -0.0005135500000000, 0.0001014800000000, -0.0004677000000000 ] - [ 0.0001819700000000, 0.0000283900000000, 0.0000303200000000 ] - [ -0.0006949200000000, -0.0012328600000000, 0.0011035400000000 ] - [ -0.0002122800000000, -0.0003515300000000, 0.0001602600000000 ] - [ 0.0004008800000000, 0.0000020500000000, 0.0001615000000000 ] - [ -0.0002149900000000, -0.0000094600000000, -0.0000219800000000 ] - [ -0.0032477900000000, 0.0010610900000000, 0.0020609200000000 ] - [ 0.0001311800000000, 0.0002761700000000, 0.0002261600000000 ] - [ -0.0011800700000000, 0.0018279100000000, -0.0009729300000000 ] - [ 0.0014363400000000, 0.0001417300000000, -0.0002305600000000 ] - [ 0.0001653500000000, 0.0001220100000000, -0.0000766600000000 ] - [ 0.0003920700000000, 0.0005815000000000, -0.0001850200000000 ] - [ 0.0000453900000000, 0.0001145100000000, -0.0000623500000000 ] - [ -0.0000607900000000, -0.0001037100000000, -0.0000980300000000 ] - [ -0.0083734400000000, 0.0033563900000000, 0.0000221400000000 ] - [ 0.0003232500000000, -0.0000082700000000, -0.0000216000000000 ] - [ 0.0002228300000000, -0.0007284500000000, -0.0001814700000000 ] - [ -0.0012451500000000, -0.0011674000000000, -0.0000034100000000 ] - [ 0.0000643300000000, -0.0000084200000000, 0.0001485900000000 ] - [ -0.0028030200000000, -0.0034033200000000, 0.0003930600000000 ] - [ -0.0000840500000000, 0.0001987500000000, 0.0000787200000000 ] - [ -0.0030576300000000, -0.0012854800000000, 0.0015589700000000 ] - [ -0.0000223800000000, 0.0000825300000000, -0.0001913500000000 ] - [ -0.0000905100000000, 0.0000166500000000, 0.0000486800000000 ] - [ -0.0119857800000000, -0.0000266400000000, 0.0045726900000000 ]- atom: 8 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007690600000000, -0.0061347000000000, -0.0062497800000000 ] - [ -0.0000257900000000, 0.0000053200000000, -0.0000010600000000 ] - [ -0.0008331000000000, 0.0000019500000000, 0.0001999400000000 ] - [ -0.0010384000000000, 0.0061885400000000, -0.0065149300000000 ] - [ -0.0115221900000000, -0.0000551800000000, 0.0128200300000000 ] - [ 0.0000388800000000, -0.0000011800000000, -0.0000010500000000 ] - [ -0.0000389200000000, -0.0000258100000000, -0.0002024400000000 ] - [ 0.2658036900000000, 0.0001874100000000, 0.0029811700000000 ] - [ 0.0003611300000000, 0.0002378000000000, -0.0005292700000000 ] - [ -0.0029964100000000, -0.0025661100000000, -0.0004194400000000 ] - [ -0.0136177900000000, 0.0099530900000000, 0.0113776800000000 ] - [ -0.0000192900000000, 0.0000242900000000, 0.0002238900000000 ] - [ -0.0007562700000000, -0.0009373200000000, 0.0004256400000000 ] - [ 0.0093536200000000, 0.0000888300000000, 0.0003495200000000 ] - [ -0.0010656800000000, 0.0000189700000000, 0.0005596900000000 ] - [ -0.0000914000000000, -0.0003450400000000, -0.0003322100000000 ] - [ -0.0002764800000000, 0.0006776400000000, -0.0002798000000000 ] - [ -0.0000255000000000, -0.0000650000000000, -0.0003654100000000 ] - [ -0.0003040600000000, -0.0003773800000000, -0.0000875200000000 ] - [ -0.0004378700000000, 0.0002188500000000, -0.0032934300000000 ] - [ 0.0002836700000000, 0.0000410800000000, 0.0001025700000000 ] - [ -0.0147124300000000, 0.0192513700000000, -0.0162962500000000 ] - [ -0.0001071500000000, 0.0002618500000000, 0.0001051600000000 ] - [ -0.0004234400000000, 0.0000694100000000, 0.0000669800000000 ] - [ -0.0001908900000000, 0.0019089900000000, -0.0011174100000000 ] - [ 0.0002474600000000, 0.0000243600000000, 0.0006860300000000 ] - [ -0.0003110100000000, -0.0000010800000000, -0.0001746600000000 ] - [ -0.0000714200000000, 0.0000105500000000, -0.0004065800000000 ] - [ -0.0001909100000000, -0.0017128700000000, -0.0009973800000000 ] - [ 0.0115201700000000, -0.0044676600000000, 0.0045453000000000 ] - [ 0.0001593000000000, 0.0000025100000000, -0.0003150600000000 ] - [ 0.0007043400000000, -0.0008948500000000, 0.0022535600000000 ] - [ -0.0022597300000000, 0.0053594700000000, -0.0005274900000000 ] - [ 0.0004347800000000, -0.0002923400000000, 0.0006624300000000 ] - [ 0.0006630700000000, -0.0001358600000000, -0.0001641800000000 ] - [ 0.0000186100000000, -0.0000024400000000, 0.0002045100000000 ] - [ -0.0001138700000000, 0.0003060700000000, -0.0003786100000000 ] - [ -0.0134764500000000, -0.0192851200000000, -0.0158830900000000 ] - [ -0.0001088200000000, 0.0000991400000000, -0.0003131500000000 ] - [ 0.0004716500000000, -0.0003779300000000, 0.0005969200000000 ] - [ -0.0001424000000000, 0.0000653700000000, -0.0001340600000000 ] - [ 0.0002537000000000, 0.0001654400000000, -0.0002436500000000 ] - [ 0.0002404400000000, -0.0000301300000000, 0.0000993900000000 ] - [ 0.0008607600000000, 0.0006507600000000, 0.0020264900000000 ] - [ -0.0000465500000000, 0.0003830500000000, -0.0003476100000000 ] - [ 0.0000211800000000, 0.0000752500000000, -0.0001721300000000 ] - [ 0.0007200800000000, 0.0000120900000000, -0.0004324100000000 ] - [ -0.0001348600000000, 0.0002007600000000, 0.0001072900000000 ] - [ -0.0117502500000000, 0.0001408300000000, 0.0011310700000000 ] - [ -0.0006884700000000, 0.0009017500000000, -0.0001647900000000 ] - [ -0.0000110000000000, 0.0000765200000000, 0.0001465200000000 ] - [ -0.0000444200000000, 0.0000738300000000, 0.0003421200000000 ] - [ 0.0000502500000000, -0.0000897700000000, -0.0002744600000000 ] - [ -0.0032320100000000, -0.0000756300000000, 0.0030435000000000 ] - [ -0.0000029600000000, 0.0000595600000000, -0.0002363700000000 ] - [ -0.0016375300000000, -0.0001684200000000, 0.0003104700000000 ] - [ -0.0023732600000000, -0.0051911300000000, -0.0005188700000000 ] - [ 0.0000853400000000, 0.0001225400000000, -0.0002883000000000 ] - [ 0.0000417000000000, 0.0000801000000000, -0.0002977600000000 ] - [ 0.0000968000000000, 0.0000048900000000, -0.0004794300000000 ] - [ 0.0124698100000000, 0.0050554900000000, 0.0046319100000000 ] - [ -0.0000088600000000, -0.0000656200000000, -0.0002888900000000 ] - [ 0.0000372100000000, -0.0000826900000000, -0.0004043000000000 ] - [ -0.0000935800000000, 0.0000026500000000, -0.0002792900000000 ] - [ 0.0001131100000000, -0.0001441700000000, 0.0003575000000000 ] - [ -0.0001606400000000, -0.0002077200000000, 0.0000901400000000 ] - [ -0.0000887200000000, -0.0002448100000000, 0.0000844100000000 ] - [ -0.0000119200000000, -0.0000582600000000, -0.0002738500000000 ] - [ -0.0138577300000000, -0.0105435300000000, 0.0114264600000000 ] - [ -0.0000101400000000, -0.0000133600000000, 0.0002101700000000 ] - [ -0.0028294400000000, 0.0023373500000000, 0.0001716500000000 ] - [ -0.0003560300000000, -0.0004299600000000, 0.0004277800000000 ] - [ 0.0012329500000000, 0.0031133900000000, -0.0043114900000000 ] - [ -0.0000808600000000, -0.0000549400000000, 0.0000081500000000 ] - [ -0.0000547800000000, 0.0001283800000000, -0.0001120200000000 ] - [ -0.0000136500000000, -0.0000227400000000, -0.0002702200000000 ] - [ -0.0006240300000000, 0.0014355900000000, 0.0005364700000000 ] - [ 0.0002272100000000, -0.0000113600000000, 0.0000534600000000 ] - [ -0.0000724100000000, -0.0001677000000000, -0.0001071600000000 ] - [ 0.0001143800000000, 0.0001860400000000, 0.0000393000000000 ] - [ -0.0002304000000000, -0.0000103400000000, -0.0000117400000000 ] - [ 0.0001010000000000, -0.0000052200000000, -0.0001979400000000 ] - [ 0.0001011400000000, 0.0000127600000000, -0.0000565400000000 ] - [ 0.0006259900000000, -0.0008382900000000, -0.0014422900000000 ] - [ -0.1225240500000000, -0.0014211600000000, -0.0355423900000000 ] - [ 0.0000949200000000, -0.0007454700000000, -0.0000630500000000 ] - [ -0.0483765600000000, 0.0414163800000000, 0.0177055000000000 ] - [ -0.0000712200000000, -0.0001777800000000, 0.0003927500000000 ] - [ 0.0001292900000000, 0.0000158400000000, -0.0001181900000000 ] - [ 0.0033107300000000, -0.0032745100000000, 0.0000617500000000 ] - [ 0.0065917000000000, -0.0003175000000000, 0.0076364000000000 ] - [ -0.0000518200000000, 0.0000729500000000, -0.0002233400000000 ] - [ -0.0001122900000000, 0.0000238200000000, 0.0005835100000000 ] - [ 0.0001045900000000, -0.0005245700000000, -0.0011196700000000 ] - [ 0.0014842100000000, -0.0001277100000000, 0.0006686800000000 ] - [ 0.0003486700000000, 0.0000962800000000, -0.0001578200000000 ] - [ -0.0003474600000000, 0.0005050400000000, 0.0011356000000000 ] - [ -0.0001392000000000, 0.0002734200000000, -0.0000351600000000 ] - [ -0.0000584000000000, -0.0001106600000000, 0.0000952400000000 ] - [ -0.0001131400000000, -0.0000043600000000, 0.0001065600000000 ] - [ 0.0001038200000000, -0.0001882500000000, -0.0000241800000000 ] - [ -0.0006537000000000, -0.0016475500000000, 0.0007583400000000 ] - [ 0.0000871900000000, 0.0000853000000000, -0.0000640000000000 ] - [ -0.0000203100000000, 0.0000236100000000, 0.0000492200000000 ] - [ -0.0000011800000000, 0.0000153900000000, -0.0002697200000000 ] - [ 0.0002806600000000, 0.0000923000000000, -0.0000041700000000 ] - [ -0.0001201300000000, -0.0000221600000000, -0.0000615800000000 ] - [ -0.0004072400000000, 0.0004192000000000, 0.0005355300000000 ] - [ -0.0062085300000000, 0.0039201300000000, 0.0030626200000000 ] - [ -0.0000120900000000, -0.0000486100000000, -0.0001588200000000 ] - [ -0.0027826700000000, 0.0083077300000000, 0.0022592200000000 ] - [ 0.0000108200000000, 0.0000070600000000, -0.0002669900000000 ] - [ -0.0000044300000000, -0.0000773600000000, 0.0005785900000000 ] - [ 0.0002006900000000, 0.0000784500000000, 0.0001704700000000 ] - [ -0.0001164500000000, 0.0000219500000000, -0.0000646200000000 ] - [ -0.0000255100000000, -0.0000007200000000, 0.0001606200000000 ] - [ -0.0001221500000000, -0.0003398700000000, -0.0001074000000000 ] - [ -0.0210099600000000, 0.0000005700000000, -0.0005647200000000 ] - [ -0.0002054900000000, 0.0003523000000000, 0.0001614800000000 ] - [ -0.0002181400000000, 0.0003593000000000, -0.0001570000000000 ] - [ -0.0000498400000000, 0.0051650300000000, 0.0002655600000000 ] - [ -0.0454434000000000, -0.0397177800000000, 0.0162256500000000 ] - [ 0.0083938300000000, 0.0029359600000000, 0.0002301500000000 ] - [ 0.0004045800000000, 0.0004656700000000, -0.0011782100000000 ] - [ 0.0011585000000000, -0.0010967900000000, -0.0000039600000000 ] - [ -0.0008431800000000, -0.0003920800000000, 0.0005405700000000 ] - [ 0.0000408800000000, -0.0001084300000000, -0.0000635300000000 ] - [ 0.0007500200000000, 0.0020273900000000, 0.0012469900000000 ] - [ 0.0004348300000000, -0.0000734600000000, -0.0002115100000000 ] - [ -0.0004120600000000, 0.0007788100000000, 0.0004541200000000 ] - [ -0.0000563000000000, 0.0000428100000000, 0.0001481400000000 ] - [ -0.0000139700000000, 0.0001638700000000, 0.0003635000000000 ] - [ 0.0009653000000000, 0.0001587000000000, -0.0068244900000000 ] - [ -0.0000366700000000, -0.0000216400000000, -0.0001768300000000 ] - [ -0.0026544300000000, -0.0087078400000000, 0.0022876800000000 ] - [ -0.0001635900000000, -0.0002927300000000, 0.0000143200000000 ] - [ 0.0007691400000000, -0.0032759900000000, -0.0046861400000000 ] - [ -0.0000912200000000, 0.0003714600000000, -0.0002317300000000 ] - [ -0.0000567000000000, 0.0001882200000000, -0.0000726000000000 ] - [ 0.0001642400000000, 0.0006252400000000, -0.0000504900000000 ] - [ 0.0000141300000000, -0.0000051600000000, 0.0001603300000000 ] - [ 0.0000741400000000, -0.0000898300000000, -0.0000647400000000 ] - [ -0.0001547000000000, -0.0048576100000000, 0.0001977800000000 ] - [ 0.0008907700000000, 0.0000483000000000, 0.0004692300000000 ] - [ 0.0005134600000000, -0.0001446700000000, 0.0003866300000000 ] - [ -0.0010213300000000, -0.0000437600000000, -0.0001595300000000 ] - [ 0.0000350000000000, -0.0000141300000000, -0.0001712400000000 ] - [ -0.0057283200000000, -0.0044197700000000, 0.0038801600000000 ] - [ -0.0001833900000000, -0.0006431200000000, 0.0010413100000000 ] - [ 0.0003888100000000, 0.0001210300000000, 0.0004489700000000 ] - [ -0.0000838200000000, 0.0001552100000000, -0.0000956700000000 ] - [ 0.0003473400000000, 0.0006360200000000, -0.0014790500000000 ] - [ -0.0001913000000000, -0.0003474700000000, 0.0001605200000000 ] - [ 0.0004056000000000, -0.0000098800000000, 0.0001570600000000 ] - [ 0.0002456400000000, -0.0000385500000000, 0.0001053500000000 ] - [ 0.0032723400000000, -0.0010906200000000, -0.0021077000000000 ] - [ -0.0002658900000000, -0.0005003400000000, -0.0002363000000000 ] - [ 0.0009669400000000, -0.0018289100000000, 0.0010453000000000 ] - [ -0.0014391100000000, 0.0000993400000000, -0.0001768300000000 ] - [ -0.0000910400000000, 0.0001032500000000, 0.0002073600000000 ] - [ -0.0001756100000000, -0.0006991500000000, -0.0002057700000000 ] - [ 0.0000286700000000, 0.0001142500000000, -0.0000657200000000 ] - [ -0.0000873200000000, -0.0001522500000000, -0.0001652600000000 ] - [ 0.0085520100000000, -0.0032292400000000, 0.0004066600000000 ] - [ 0.0003274600000000, 0.0000114600000000, 0.0000221700000000 ] - [ -0.0004263400000000, 0.0006086300000000, -0.0002131500000000 ] - [ 0.0012453700000000, 0.0011766700000000, -0.0000033400000000 ] - [ -0.0002972100000000, -0.0000403900000000, -0.0000195800000000 ] - [ 0.0028338200000000, 0.0031470200000000, 0.0000270700000000 ] - [ -0.0001285900000000, -0.0001942700000000, -0.0001454700000000 ] - [ 0.0031623000000000, 0.0014423900000000, -0.0014617400000000 ] - [ -0.0000329300000000, 0.0000200800000000, -0.0001789200000000 ] - [ -0.0001406600000000, 0.0000322300000000, 0.0000825300000000 ] - [ 0.0117264300000000, 0.0002498400000000, -0.0044543900000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0055542300000000, 0.0097046600000000, -0.0087845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027278200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014319700000000 ] - [ 0.0056273600000000, -0.0096624400000000, -0.0087845100000000 ] - [ -0.0111816000000000, -0.0000422200000000, -0.0087845100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028377800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016788000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3257952400000000 ] - [ -0.0000246000000000, 0.0005215000000000, 0.0028274400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067163000000000 ] - [ -0.0100117700000000, 0.0056778400000000, 0.0007041300000000 ] - [ 0.0000423500000000, -0.0000670800000000, 0.0025062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024184400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0179714600000000 ] - [ 0.0003519800000000, -0.0000176000000000, 0.0008125100000000 ] - [ -0.0001912300000000, -0.0002960300000000, 0.0008125100000000 ] - [ 0.0002514700000000, 0.0000456800000000, 0.0021390100000000 ] - [ 0.0005278400000000, -0.0000285500000000, 0.0020352400000000 ] - [ -0.0001652900000000, 0.0001949400000000, 0.0021390100000000 ] - [ 0.0011436000000000, -0.0000238000000000, 0.0020444000000000 ] - [ 0.0002485700000000, -0.0000634100000000, 0.0026467900000000 ] - [ 0.0103009000000000, -0.0063535300000000, 0.0005871400000000 ] - [ -0.0002848000000000, 0.0002144900000000, 0.0025401800000000 ] - [ -0.0000861800000000, -0.0002406200000000, 0.0021390100000000 ] - [ 0.0016777000000000, -0.0030057500000000, 0.0031355000000000 ] - [ -0.0026571400000000, 0.0019570900000000, 0.0027427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0295866000000000 ] - [ -0.0001356500000000, -0.0001123400000000, 0.0019998900000000 ] - [ 0.0017642100000000, 0.0029558100000000, 0.0031355000000000 ] - [ 0.0000887300000000, -0.0115093700000000, 0.0007041300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030805000000000 ] - [ -0.0005924200000000, -0.0009784900000000, 0.0020444000000000 ] - [ 0.0001154100000000, -0.0001778700000000, -0.0020552100000000 ] - [ -0.0004393400000000, -0.0002820500000000, 0.0028274400000000 ] - [ -0.0003663200000000, -0.0032796900000000, 0.0027427500000000 ] - [ -0.0000792700000000, -0.0000031400000000, 0.0025062200000000 ] - [ 0.0030234600000000, 0.0013226100000000, 0.0027427500000000 ] - [ 0.0099230400000000, 0.0058315300000000, 0.0007041300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014955900000000 ] - [ -0.0023862400000000, -0.0023119000000000, 0.0026423600000000 ] - [ -0.0000993400000000, 0.0001227800000000, 0.0020469500000000 ] - [ -0.0008090400000000, 0.0032225000000000, 0.0026423600000000 ] - [ 0.0003281500000000, 0.0001394000000000, 0.0025401800000000 ] - [ -0.0005511900000000, 0.0010022900000000, 0.0020444000000000 ] - [ -0.0001607500000000, 0.0003136300000000, 0.0008125100000000 ] - [ -0.0000294700000000, 0.0001736500000000, 0.0019998900000000 ] - [ 0.0004639300000000, -0.0002394500000000, 0.0028274400000000 ] - [ -0.0000693700000000, 0.0002469700000000, 0.0026467900000000 ] - [ -0.0002117500000000, -0.0000110100000000, -0.0020552100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030906300000000 ] - [ 0.0002231100000000, 0.0001333200000000, 0.0027206500000000 ] - [ -0.0002270100000000, 0.0001265600000000, 0.0027206500000000 ] - [ 0.0000181800000000, -0.0000005300000000, 0.0021430700000000 ] - [ -0.0034419100000000, 0.0000499500000000, 0.0031355000000000 ] - [ -0.0000566600000000, -0.0001474200000000, 0.0020469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009446700000000 ] - [ 0.0000963400000000, 0.0001888900000000, -0.0020552100000000 ] - [ -0.0002392000000000, 0.0004714000000000, 0.0020352400000000 ] - [ -0.0000086400000000, 0.0000160100000000, 0.0021430700000000 ] - [ 0.0031952900000000, -0.0009106000000000, 0.0026423600000000 ] - [ 0.0003518700000000, 0.0120976100000000, 0.0005871400000000 ] - [ -0.0002886500000000, -0.0004428500000000, 0.0020352400000000 ] - [ 0.0001651100000000, -0.0000613000000000, 0.0019998900000000 ] - [ -0.0000095500000000, -0.0000154800000000, 0.0021430700000000 ] - [ 0.0000039000000000, -0.0002598700000000, 0.0027206500000000 ] - [ -0.0000433500000000, -0.0003538900000000, 0.0025401800000000 ] - [ -0.0001792000000000, -0.0001835600000000, 0.0026467900000000 ] - [ 0.0001560000000000, 0.0000246400000000, 0.0020469500000000 ] - [ -0.0106527700000000, -0.0057440800000000, 0.0005871400000000 ] - [ 0.0000369200000000, 0.0000702200000000, 0.0025062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061454900000000 ] - [ -0.0000958300000000, 0.0010014400000000, 0.0005543600000000 ] - [ 0.0008767600000000, 0.0015061000000000, 0.0001583800000000 ] - [ 0.0002970400000000, 0.0002671600000000, -0.0018163500000000 ] - [ -0.0002156100000000, 0.0001280100000000, -0.0017983300000000 ] - [ -0.0001928600000000, -0.0003581000000000, -0.0018257500000000 ] - [ 0.0000198300000000, -0.0013932300000000, 0.0004475300000000 ] - [ 0.0003054500000000, -0.0003133300000000, -0.0012775300000000 ] - [ 0.0003845900000000, -0.0006401200000000, -0.0023228000000000 ] - [ 0.0000857500000000, 0.0001988000000000, -0.0021914100000000 ] - [ -0.0002150400000000, -0.0000251400000000, -0.0021914100000000 ] - [ 0.0001450700000000, -0.0002637100000000, -0.0016362100000000 ] - [ -0.0001325100000000, -0.0000341700000000, -0.0015340800000000 ] - [ 0.0009151900000000, -0.0004177300000000, 0.0005543600000000 ] - [ 0.0364144600000000, 0.0008968400000000, 0.0356165600000000 ] - [ -0.0001867300000000, -0.0000853900000000, -0.0007883100000000 ] - [ -0.0189839100000000, 0.0310874300000000, 0.0356165600000000 ] - [ 0.0001186300000000, 0.0004211900000000, -0.0012775300000000 ] - [ 0.0002186600000000, 0.0001227200000000, -0.0017983300000000 ] - [ 0.0023971300000000, -0.0011966700000000, 0.0037561800000000 ] - [ -0.0017427000000000, 0.0000062500000000, 0.0001583800000000 ] - [ -0.0001464900000000, -0.0000165000000000, -0.0017242200000000 ] - [ -0.0005867900000000, 0.0010276400000000, -0.0015703700000000 ] - [ 0.0003150500000000, -0.0006034500000000, -0.0015495200000000 ] - [ 0.0000194100000000, 0.0002044000000000, -0.0007883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014369600000000 ] - [ -0.0006801300000000, 0.0000288900000000, -0.0015495200000000 ] - [ -0.0001553700000000, 0.0002750200000000, -0.0020683800000000 ] - [ -0.0001321300000000, -0.0004682500000000, -0.0012471000000000 ] - [ -0.0007466500000000, -0.0000130000000000, -0.0023228000000000 ] - [ 0.0001292900000000, -0.0001736600000000, -0.0021914100000000 ] - [ -0.0001561100000000, 0.0014526200000000, 0.0005762700000000 ] - [ -0.0000363200000000, 0.0003017600000000, -0.0017381300000000 ] - [ -0.0000891300000000, 0.0003459000000000, -0.0011986800000000 ] - [ -0.0002136900000000, 0.0003460700000000, -0.0018257500000000 ] - [ -0.0002549900000000, -0.0002501400000000, -0.0011986800000000 ] - [ -0.0002485600000000, 0.0002157200000000, -0.0017852200000000 ] - [ 0.0002248300000000, -0.0007925700000000, -0.0018291200000000 ] - [ -0.0027040200000000, -0.0050658900000000, -0.0037732700000000 ] - [ 0.0000875300000000, -0.0001186100000000, -0.0017242200000000 ] - [ -0.0016887000000000, -0.0030306900000000, 0.0034704100000000 ] - [ 0.0004065500000000, 0.0000120200000000, -0.0018257500000000 ] - [ -0.0005965600000000, -0.0010219900000000, -0.0015703700000000 ] - [ 0.0000958500000000, -0.0000976700000000, -0.0015340800000000 ] - [ -0.0002431800000000, -0.0001823300000000, -0.0017381300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019020300000000 ] - [ -0.0002612000000000, -0.0003829600000000, -0.0013290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1916155400000000 ] - [ -0.0001961200000000, 0.0003295300000000, -0.0010360300000000 ] - [ -0.0002010500000000, 0.0004176900000000, -0.0013290800000000 ] - [ -0.0001622200000000, 0.0026743100000000, 0.0037561800000000 ] - [ -0.0174305500000000, -0.0319842600000000, 0.0356165600000000 ] - [ -0.0022349100000000, -0.0014776400000000, 0.0037561800000000 ] - [ 0.0005739700000000, 0.0005909900000000, -0.0018291200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048393500000000 ] - [ 0.0003650800000000, 0.0005745700000000, -0.0015495200000000 ] - [ 0.0002794900000000, -0.0001194300000000, -0.0017381300000000 ] - [ -0.0011799500000000, -0.0008615100000000, 0.0005762700000000 ] - [ 0.0004622600000000, -0.0000347300000000, -0.0013290800000000 ] - [ -0.0002279000000000, -0.0006933500000000, 0.0006407400000000 ] - [ 0.0011833600000000, -0.0000056400000000, -0.0015703700000000 ] - [ -0.0004240800000000, -0.0001078600000000, -0.0012775300000000 ] - [ 0.0057392000000000, 0.0001912000000000, -0.0037732700000000 ] - [ -0.0003009200000000, 0.0000062200000000, -0.0016362100000000 ] - [ -0.0017803000000000, 0.0029778000000000, 0.0034704100000000 ] - [ -0.0001604800000000, -0.0002720600000000, -0.0020683800000000 ] - [ 0.0008659400000000, -0.0015123400000000, 0.0001583800000000 ] - [ 0.0011509600000000, 0.0017935200000000, -0.0012373600000000 ] - [ 0.0004715800000000, 0.0001197000000000, -0.0012471000000000 ] - [ 0.0001673100000000, -0.0001190200000000, -0.0007883100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016112200000000 ] - [ -0.0000625400000000, -0.0003231200000000, -0.0017852200000000 ] - [ -0.0001761300000000, -0.0021651300000000, 0.0036493700000000 ] - [ -0.0004865100000000, 0.0005440500000000, 0.0006407400000000 ] - [ -0.0008193600000000, -0.0005837100000000, 0.0005543600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032951300000000 ] - [ 0.0000589600000000, 0.0001351100000000, -0.0017242200000000 ] - [ -0.0030351800000000, 0.0048746900000000, -0.0037732700000000 ] - [ -0.0007988000000000, 0.0002015800000000, -0.0018291200000000 ] - [ -0.0021287200000000, 0.0001000000000000, -0.0012373600000000 ] - [ 0.0003620700000000, 0.0006531200000000, -0.0023228000000000 ] - [ 0.0007144100000000, 0.0001493100000000, 0.0006407400000000 ] - [ -0.0001873200000000, -0.0003346100000000, -0.0010360300000000 ] - [ 0.0003834500000000, 0.0000050800000000, -0.0010360300000000 ] - [ -0.0003394500000000, 0.0003485500000000, -0.0012471000000000 ] - [ 0.0013360600000000, -0.0005911100000000, 0.0005762700000000 ] - [ 0.0009777600000000, -0.0018935200000000, -0.0012373600000000 ] - [ -0.0012164900000000, 0.0006794400000000, 0.0004475300000000 ] - [ 0.0060274400000000, 0.0002183400000000, -0.0072352100000000 ] - [ -0.0003798900000000, 0.0001236700000000, -0.0018163500000000 ] - [ -0.0028246300000000, -0.0053290900000000, -0.0072352100000000 ] - [ 0.0003111000000000, 0.0001074000000000, -0.0017852200000000 ] - [ -0.0000030500000000, -0.0002507200000000, -0.0017983300000000 ] - [ -0.0017869900000000, 0.0012351000000000, 0.0036493700000000 ] - [ 0.0003158600000000, -0.0000029500000000, -0.0020683800000000 ] - [ -0.0032028100000000, 0.0051107400000000, -0.0072352100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048257100000000 ] - [ 0.0000828500000000, -0.0003908300000000, -0.0018163500000000 ] - [ 0.0019631300000000, 0.0009300300000000, 0.0036493700000000 ] - [ 0.0003441200000000, -0.0000957600000000, -0.0011986800000000 ] - [ 0.0011966600000000, 0.0007137900000000, 0.0004475300000000 ] - [ 0.0001558500000000, 0.0002574900000000, -0.0016362100000000 ] - [ 0.0000366600000000, 0.0001318400000000, -0.0015340800000000 ] - [ 0.0034690000000000, 0.0000528900000000, 0.0034704100000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0054830900000000, -0.0097836000000000, 0.0087419000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010227100000000 ] - [ -0.0057313000000000, 0.0096402900000000, 0.0087419000000000 ] - [ 0.0112143900000000, 0.0001433000000000, 0.0087419000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028455000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3127842900000000 ] - [ -0.0002981900000000, -0.0001097400000000, -0.0030364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058749000000000 ] - [ 0.0101783000000000, -0.0055304000000000, -0.0005100400000000 ] - [ -0.0000644700000000, 0.0001054200000000, -0.0020838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032514600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0176096800000000 ] - [ -0.0005926200000000, -0.0000080100000000, -0.0009001200000000 ] - [ 0.0002893700000000, 0.0005172300000000, -0.0009001200000000 ] - [ -0.0004558100000000, 0.0004430600000000, -0.0023388400000000 ] - [ -0.0004600100000000, -0.0000876100000000, -0.0026682000000000 ] - [ -0.0001558000000000, -0.0006162700000000, -0.0023388400000000 ] - [ -0.0010793600000000, 0.0001613400000000, -0.0013836300000000 ] - [ 0.0002720900000000, 0.0001321000000000, -0.0024557000000000 ] - [ -0.0106375900000000, 0.0058645300000000, -0.0005682600000000 ] - [ 0.0000838400000000, 0.0002708700000000, -0.0023491600000000 ] - [ 0.0006116100000000, 0.0001732100000000, -0.0023388400000000 ] - [ -0.0016348500000000, 0.0031685500000000, -0.0025265700000000 ] - [ 0.0023734800000000, -0.0024389400000000, -0.0026475600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0296937000000000 ] - [ -0.0000227100000000, 0.0001120900000000, -0.0026597700000000 ] - [ -0.0019266200000000, -0.0030000900000000, -0.0025265700000000 ] - [ -0.0002996900000000, 0.0115798600000000, -0.0005100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037113900000000 ] - [ 0.0006794000000000, 0.0008540800000000, -0.0013836300000000 ] - [ 0.0000249100000000, -0.0000154100000000, 0.0021803600000000 ] - [ 0.0002441300000000, -0.0002033700000000, -0.0030364200000000 ] - [ 0.0009254400000000, 0.0032749600000000, -0.0026475600000000 ] - [ 0.0001235300000000, 0.0000031300000000, -0.0020838700000000 ] - [ -0.0032989200000000, -0.0008360300000000, -0.0026475600000000 ] - [ -0.0098786100000000, -0.0060494700000000, -0.0005100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021282200000000 ] - [ 0.0024812000000000, 0.0020868200000000, -0.0027269600000000 ] - [ 0.0000780300000000, -0.0000852300000000, -0.0024804300000000 ] - [ 0.0005666400000000, -0.0031921900000000, -0.0027269600000000 ] - [ 0.0001926600000000, -0.0002080400000000, -0.0023491600000000 ] - [ 0.0003999500000000, -0.0010154200000000, -0.0013836300000000 ] - [ 0.0003032500000000, -0.0005092100000000, -0.0009001200000000 ] - [ 0.0001084300000000, -0.0000363700000000, -0.0026597700000000 ] - [ 0.0000540600000000, 0.0003131100000000, -0.0030364200000000 ] - [ -0.0002504400000000, 0.0001695900000000, -0.0024557000000000 ] - [ -0.0000258000000000, -0.0000138700000000, 0.0021803600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027429400000000 ] - [ -0.0001292900000000, 0.0000324900000000, -0.0021609200000000 ] - [ 0.0000365000000000, -0.0001282100000000, -0.0021609200000000 ] - [ 0.0000776500000000, -0.0001652900000000, -0.0027150400000000 ] - [ 0.0035614700000000, -0.0001684500000000, -0.0025265700000000 ] - [ 0.0000348000000000, 0.0001101900000000, -0.0024804300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003054400000000 ] - [ 0.0000008900000000, 0.0000292700000000, 0.0021803600000000 ] - [ 0.0003058700000000, -0.0003545700000000, -0.0026682000000000 ] - [ 0.0001043100000000, 0.0001498900000000, -0.0027150400000000 ] - [ -0.0030478400000000, 0.0011053700000000, -0.0027269600000000 ] - [ 0.0002399700000000, -0.0121446900000000, -0.0005682600000000 ] - [ 0.0001541300000000, 0.0004421800000000, -0.0026682000000000 ] - [ -0.0000857100000000, -0.0000757100000000, -0.0026597700000000 ] - [ -0.0001819700000000, 0.0000153900000000, -0.0027150400000000 ] - [ 0.0000927800000000, 0.0000957200000000, -0.0021609200000000 ] - [ -0.0002765000000000, -0.0000628200000000, -0.0023491600000000 ] - [ -0.0000216500000000, -0.0003016900000000, -0.0024557000000000 ] - [ -0.0001128300000000, -0.0000249600000000, -0.0024804300000000 ] - [ 0.0103976200000000, 0.0062801600000000, -0.0005682600000000 ] - [ -0.0000590600000000, -0.0001085400000000, -0.0020838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0064843500000000 ] - [ -0.0001211300000000, -0.0008921000000000, -0.0009633300000000 ] - [ -0.0008181900000000, -0.0016244000000000, -0.0010713100000000 ] - [ -0.0001402100000000, -0.0004462500000000, 0.0019515300000000 ] - [ 0.0000677700000000, 0.0001277400000000, 0.0015376800000000 ] - [ 0.0001760200000000, 0.0003289400000000, 0.0012915200000000 ] - [ 0.0000824400000000, 0.0012222400000000, -0.0004007800000000 ] - [ -0.0003250200000000, 0.0003442500000000, 0.0018189700000000 ] - [ -0.0002732600000000, 0.0004581200000000, 0.0022583300000000 ] - [ 0.0001356400000000, 0.0001839000000000, 0.0021973400000000 ] - [ -0.0002270900000000, 0.0000255200000000, 0.0021973400000000 ] - [ -0.0000300800000000, 0.0002587700000000, 0.0012698700000000 ] - [ 0.0002059300000000, -0.0001924500000000, 0.0016654800000000 ] - [ -0.0007120200000000, 0.0005509500000000, -0.0009633300000000 ] - [ -0.0369328700000000, -0.0006652700000000, -0.0349184900000000 ] - [ 0.0001342200000000, 0.0001867000000000, 0.0011546000000000 ] - [ 0.0190425800000000, -0.0316521700000000, -0.0349184900000000 ] - [ -0.0001356200000000, -0.0004536000000000, 0.0018189700000000 ] - [ 0.0000767400000000, -0.0001225600000000, 0.0015376800000000 ] - [ -0.0016815200000000, 0.0011826200000000, -0.0034007500000000 ] - [ 0.0018158700000000, 0.0001036300000000, -0.0010713100000000 ] - [ 0.0000849000000000, 0.0001136000000000, 0.0013576500000000 ] - [ 0.0004609400000000, -0.0010271900000000, 0.0024470600000000 ] - [ -0.0003741000000000, 0.0005113500000000, 0.0019262200000000 ] - [ 0.0000945800000000, -0.0002095900000000, 0.0011546000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011129900000000 ] - [ 0.0006298900000000, 0.0000683000000000, 0.0019262200000000 ] - [ -0.0001671100000000, 0.0002834800000000, 0.0020726700000000 ] - [ 0.0001601400000000, 0.0005165500000000, 0.0013364800000000 ] - [ 0.0005333700000000, 0.0000075900000000, 0.0022583300000000 ] - [ 0.0000914400000000, -0.0002094200000000, 0.0021973400000000 ] - [ 0.0001869800000000, -0.0014210100000000, -0.0006862100000000 ] - [ 0.0001950800000000, -0.0001254300000000, 0.0016138900000000 ] - [ 0.0001902200000000, -0.0005316700000000, 0.0011355200000000 ] - [ 0.0001968600000000, -0.0003169100000000, 0.0012915200000000 ] - [ 0.0003653300000000, 0.0004305700000000, 0.0011355200000000 ] - [ 0.0000163800000000, -0.0002648800000000, 0.0016610100000000 ] - [ 0.0000681400000000, 0.0008032700000000, 0.0021022000000000 ] - [ 0.0028528900000000, 0.0053420400000000, 0.0038626600000000 ] - [ -0.0001408300000000, 0.0000167300000000, 0.0013576500000000 ] - [ 0.0019383200000000, 0.0030119400000000, -0.0034964200000000 ] - [ -0.0003728800000000, -0.0000120300000000, 0.0012915200000000 ] - [ 0.0006591000000000, 0.0009127800000000, 0.0024470600000000 ] - [ 0.0000637100000000, 0.0002745600000000, 0.0016654800000000 ] - [ 0.0000110900000000, 0.0002316600000000, 0.0016138900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022264200000000 ] - [ -0.0001417400000000, -0.0003158900000000, 0.0010116600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1794407400000000 ] - [ -0.0002074300000000, 0.0003694500000000, 0.0013590300000000 ] - [ -0.0002027000000000, 0.0002807000000000, 0.0010116600000000 ] - [ -0.0001834200000000, -0.0020475500000000, -0.0034007500000000 ] - [ 0.0178902900000000, 0.0323174400000000, -0.0349184900000000 ] - [ 0.0018649400000000, 0.0008649300000000, -0.0034007500000000 ] - [ -0.0007297200000000, -0.0003426200000000, 0.0021022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048324400000000 ] - [ -0.0002558000000000, -0.0005796500000000, 0.0019262200000000 ] - [ -0.0002061700000000, -0.0001062300000000, 0.0016138900000000 ] - [ 0.0011371400000000, 0.0008724400000000, -0.0006862100000000 ] - [ 0.0003444400000000, 0.0000352000000000, 0.0010116600000000 ] - [ -0.0001206100000000, 0.0012947100000000, -0.0010016400000000 ] - [ -0.0011200400000000, 0.0001144100000000, 0.0024470600000000 ] - [ 0.0004606400000000, 0.0001093500000000, 0.0018189700000000 ] - [ -0.0060527900000000, -0.0002003400000000, 0.0038626600000000 ] - [ 0.0002391400000000, -0.0001033400000000, 0.0012698700000000 ] - [ 0.0016392500000000, -0.0031846000000000, -0.0034964200000000 ] - [ -0.0001619400000000, -0.0002864600000000, 0.0020726700000000 ] - [ -0.0009976800000000, 0.0015207800000000, -0.0010713100000000 ] - [ -0.0008899600000000, -0.0017902500000000, 0.0012277400000000 ] - [ -0.0005274100000000, -0.0001195900000000, 0.0013364800000000 ] - [ -0.0002288000000000, 0.0000228900000000, 0.0011546000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019362500000000 ] - [ 0.0002212000000000, 0.0001466200000000, 0.0016610100000000 ] - [ -0.0000385600000000, 0.0022510600000000, -0.0032453800000000 ] - [ 0.0011815600000000, -0.0005429100000000, -0.0010016400000000 ] - [ 0.0008331400000000, 0.0003411500000000, -0.0009633300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029953400000000 ] - [ 0.0000559300000000, -0.0001303300000000, 0.0013576500000000 ] - [ 0.0031998900000000, -0.0051417000000000, 0.0038626600000000 ] - [ 0.0006615800000000, -0.0004606500000000, 0.0021022000000000 ] - [ 0.0019953800000000, 0.0001244000000000, 0.0012277400000000 ] - [ -0.0002601200000000, -0.0004657100000000, 0.0022583300000000 ] - [ -0.0010609500000000, -0.0007518000000000, -0.0010016400000000 ] - [ -0.0002162400000000, -0.0003643700000000, 0.0013590300000000 ] - [ 0.0004236700000000, -0.0000050900000000, 0.0013590300000000 ] - [ 0.0003672800000000, -0.0003969600000000, 0.0013364800000000 ] - [ -0.0013241200000000, 0.0005485800000000, -0.0006862100000000 ] - [ -0.0011054300000000, 0.0016658500000000, 0.0012277400000000 ] - [ 0.0010172700000000, -0.0006825100000000, -0.0004007800000000 ] - [ -0.0060195500000000, 0.0000229400000000, 0.0068217600000000 ] - [ 0.0004565700000000, 0.0001017000000000, 0.0019515300000000 ] - [ 0.0030296400000000, 0.0052016200000000, 0.0068217600000000 ] - [ -0.0002375800000000, 0.0001182600000000, 0.0016610100000000 ] - [ -0.0001445100000000, -0.0000051800000000, 0.0015376800000000 ] - [ 0.0019687600000000, -0.0010921400000000, -0.0032453800000000 ] - [ 0.0003290500000000, 0.0000029800000000, 0.0020726700000000 ] - [ 0.0029899100000000, -0.0052245600000000, 0.0068217600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048182700000000 ] - [ -0.0003163600000000, 0.0003445500000000, 0.0019515300000000 ] - [ -0.0019302000000000, -0.0011589200000000, -0.0032453800000000 ] - [ -0.0005555500000000, 0.0001011000000000, 0.0011355200000000 ] - [ -0.0010997100000000, -0.0005397300000000, -0.0004007800000000 ] - [ -0.0002090600000000, -0.0001554300000000, 0.0012698700000000 ] - [ -0.0002696300000000, -0.0000821100000000, 0.0016654800000000 ] - [ -0.0035775700000000, 0.0001726700000000, -0.0034964200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000149900000000, 0.0000561700000000, -0.0001165200000000 ] - [ -0.0004640600000000, -0.0009616200000000, 0.0003250500000000 ] - [ 0.0089609200000000, 0.0034740500000000, -0.0013092700000000 ] - [ -0.0000646000000000, -0.0000150200000000, 0.0000278400000000 ] - [ 0.0000094400000000, 0.0000003500000000, -0.0004093500000000 ] - [ -0.0052822400000000, 0.0033481000000000, -0.0040047500000000 ] - [ 0.0000935500000000, 0.0000182400000000, -0.0002414200000000 ] - [ -0.0005255300000000, -0.0000589700000000, 0.0003056900000000 ] - [ -0.1744419800000000, -0.0206124900000000, -0.0110844300000000 ] - [ 0.0006614300000000, 0.0001870500000000, -0.0008226700000000 ] - [ 0.0011115800000000, -0.0000741000000000, 0.0014522700000000 ] - [ 0.0009470800000000, 0.0001506300000000, -0.0002057800000000 ] - [ 0.0000188600000000, 0.0000135300000000, 0.0002577500000000 ] - [ -0.0050016300000000, -0.0001206900000000, 0.0116250800000000 ] - [ -0.0000862100000000, -0.0000202900000000, -0.0001535500000000 ] - [ 0.0000355100000000, 0.0001151400000000, -0.0001416300000000 ] - [ 0.0023000200000000, -0.0054713500000000, 0.0005866700000000 ] - [ 0.0001040700000000, -0.0000340200000000, -0.0004462800000000 ] - [ -0.0157334400000000, 0.0009696200000000, -0.0083734000000000 ] - [ 0.0117206900000000, -0.0172323100000000, -0.0100372300000000 ] - [ 0.0000669400000000, 0.0000738300000000, -0.0000730400000000 ] - [ -0.0018016400000000, -0.0020572900000000, -0.0008103300000000 ] - [ -0.0000427800000000, -0.0001715300000000, -0.0000281600000000 ] - [ 0.0038681400000000, 0.0003910300000000, 0.0003600600000000 ] - [ -0.0016426000000000, -0.0014402200000000, -0.0000165600000000 ] - [ -0.0001565800000000, -0.0002701900000000, -0.0000656500000000 ] - [ -0.0000292700000000, 0.0000048500000000, -0.0002596600000000 ] - [ -0.0000872500000000, -0.0000225800000000, -0.0005470800000000 ] - [ -0.0187635300000000, 0.0159678800000000, -0.0110567000000000 ] - [ 0.0001336600000000, 0.0007705600000000, 0.0003464300000000 ] - [ -0.0000212400000000, 0.0000050600000000, -0.0004715100000000 ] - [ 0.0021298700000000, 0.0043188000000000, 0.0008367300000000 ] - [ 0.0006152500000000, -0.0010618100000000, 0.0004608200000000 ] - [ 0.0316238500000000, 0.0257536900000000, 0.0048670100000000 ] - [ 0.0002653400000000, -0.0000052500000000, -0.0000508000000000 ] - [ 0.0004117800000000, 0.0002035500000000, 0.0022265500000000 ] - [ -0.0001367200000000, 0.0002621800000000, -0.0000543800000000 ] - [ -0.0018279300000000, -0.0000367000000000, -0.0032205500000000 ] - [ -0.0000054400000000, -0.0000028100000000, -0.0004319100000000 ] - [ 0.0000235500000000, -0.0000985700000000, -0.0001553600000000 ] - [ 0.0106242600000000, 0.0001565800000000, -0.0011463200000000 ] - [ -0.0001057600000000, 0.0000182600000000, -0.0001435100000000 ] - [ 0.0004822700000000, -0.0000164900000000, 0.0000821300000000 ] - [ 0.0097933200000000, -0.0083728600000000, 0.0107864600000000 ] - [ 0.0000748300000000, -0.0000980200000000, -0.0001449000000000 ] - [ 0.0000155800000000, 0.0000407000000000, -0.0003763600000000 ] - [ -0.0162353400000000, 0.0018650500000000, -0.0084258100000000 ] - [ -0.0006553800000000, 0.0000609600000000, -0.0000442700000000 ] - [ 0.0023037400000000, -0.0000776400000000, -0.0009737800000000 ] - [ 0.0000015000000000, -0.0000196400000000, -0.0002857100000000 ] - [ 0.0110867100000000, -0.0092718700000000, 0.0106371500000000 ] - [ 0.0083325700000000, -0.0196472100000000, -0.0123425000000000 ] - [ 0.0001029700000000, 0.0005617100000000, -0.0003711300000000 ] - [ 0.0058718100000000, 0.0026960200000000, 0.0021515200000000 ] - [ 0.0021650000000000, -0.0023643200000000, 0.0002319000000000 ] - [ 0.0002517600000000, -0.0019176900000000, 0.0009898800000000 ] - [ -0.0013948300000000, 0.0019829200000000, -0.0007774800000000 ] - [ 0.0000442700000000, 0.0000183500000000, -0.0004333100000000 ] - [ -0.0000575900000000, 0.0000571600000000, 0.0014537400000000 ] - [ 0.0000890900000000, 0.0000894100000000, -0.0001460900000000 ] - [ -0.0008764100000000, 0.0005329300000000, 0.0010436600000000 ] - [ -0.0001283200000000, 0.0000024400000000, -0.0003937100000000 ] - [ 0.0000475000000000, -0.0000021700000000, -0.0004350900000000 ] - [ 0.0004343100000000, 0.0000449000000000, -0.0029125000000000 ] - [ 0.0020859700000000, 0.0046063700000000, -0.0001811100000000 ] - [ -0.0005748000000000, -0.0000952400000000, -0.0000011600000000 ] - [ 0.0000834800000000, -0.0000647800000000, -0.0002592000000000 ] - [ 0.0113298500000000, 0.0091719800000000, 0.0126605600000000 ] - [ 0.0004942800000000, 0.0013135200000000, 0.0006508500000000 ] - [ 0.0006071400000000, -0.0002391100000000, 0.0000360900000000 ] - [ 0.0001443900000000, -0.0004189900000000, 0.0001642000000000 ] - [ -0.0000930300000000, 0.0000781600000000, -0.0001415600000000 ] - [ -0.0002441000000000, -0.0012706000000000, -0.0004255900000000 ] - [ 0.0022365300000000, -0.0070577500000000, 0.0031165500000000 ] - [ -0.0001171700000000, 0.0000909600000000, -0.0000177800000000 ] - [ -0.0000137900000000, 0.0001074300000000, -0.0002234700000000 ] - [ 0.0022251700000000, 0.0007468500000000, -0.0022119700000000 ] - [ -0.0072826000000000, -0.0035174400000000, 0.0000479100000000 ] - [ 0.0000681400000000, -0.0000963300000000, 0.0000479200000000 ] - [ -0.0006925800000000, 0.0012700500000000, -0.0035123700000000 ] - [ 0.0000868900000000, 0.0033912800000000, 0.0060875700000000 ] - [ -0.0000125900000000, 0.0000121000000000, -0.0001745700000000 ] - [ 0.0001303100000000, -0.0041540900000000, 0.0002828500000000 ] - [ 0.0000901200000000, 0.0000844700000000, -0.0001114800000000 ] - [ 0.0007732100000000, 0.0002526200000000, 0.0006657300000000 ] - [ -0.0023884600000000, 0.0033246100000000, -0.0004322700000000 ] - [ 0.0004591600000000, -0.0000494200000000, -0.0000954500000000 ] - [ 0.0003129600000000, 0.0040670300000000, -0.0000631900000000 ] - [ 0.0002984600000000, 0.0000155300000000, -0.0000320300000000 ] - [ -0.0001496500000000, 0.0000010300000000, -0.0001522500000000 ] - [ -0.0015617600000000, 0.0028472400000000, 0.0051302300000000 ] - [ 0.0000140500000000, 0.0000850200000000, -0.0001762900000000 ] - [ -0.0000620100000000, 0.0000032200000000, 0.0005373300000000 ] - [ -0.0084745200000000, -0.0007790100000000, -0.0056242100000000 ] - [ -0.0072197000000000, 0.0026116800000000, 0.0000519300000000 ] - [ 0.0001608100000000, 0.0030205400000000, -0.0001136100000000 ] - [ 0.0281021200000000, -0.0013706600000000, -0.0051386500000000 ] - [ -0.0026899800000000, 0.0001595100000000, 0.0005508000000000 ] - [ 0.0000050400000000, 0.0000270600000000, 0.0001274400000000 ] - [ -0.0001155600000000, -0.0000117600000000, 0.0000591400000000 ] - [ -0.0003944800000000, -0.0013414000000000, 0.0004128400000000 ] - [ -0.0005166500000000, -0.0005623100000000, 0.0000067900000000 ] - [ -0.0001216300000000, 0.0003942800000000, -0.0004889100000000 ] - [ 0.0000674200000000, -0.0000923600000000, 0.0000398800000000 ] - [ -0.0002111900000000, -0.0000909100000000, -0.0001212400000000 ] - [ 0.0000441800000000, 0.0000964200000000, 0.0000433800000000 ] - [ 0.0000520800000000, -0.0003575800000000, 0.0007002900000000 ] - [ 0.0228276600000000, 0.0029224900000000, -0.0003972900000000 ] - [ 0.0060565100000000, -0.0001732600000000, 0.0006431700000000 ] - [ -0.0000990500000000, -0.0000632200000000, -0.0000135200000000 ] - [ 0.0010846600000000, -0.0001454200000000, 0.0004216100000000 ] - [ 0.0005520300000000, 0.0000068500000000, -0.0008118400000000 ] - [ 0.0000280600000000, -0.0000688400000000, 0.0005169200000000 ] - [ -0.0024693300000000, 0.0030148100000000, 0.0000240700000000 ] - [ 0.0001060900000000, 0.0005780000000000, 0.0007498600000000 ] - [ 0.0001024900000000, -0.0000559500000000, 0.0003480600000000 ] - [ -0.0083452200000000, -0.0000334100000000, -0.0038559800000000 ] - [ 0.0001138700000000, -0.0000055300000000, 0.0000652600000000 ] - [ -0.0006614300000000, -0.0001624200000000, -0.0001819000000000 ] - [ -0.0028067000000000, -0.0026209800000000, -0.0007475300000000 ] - [ -0.0005103500000000, -0.0002273700000000, 0.0006562600000000 ] - [ 0.0002542000000000, -0.0003532400000000, -0.0000932200000000 ] - [ -0.0007863700000000, -0.0004559700000000, 0.0010735000000000 ] - [ -0.0030108400000000, -0.0026280800000000, -0.0006568500000000 ] - [ -0.0000285700000000, 0.0001010300000000, 0.0001194300000000 ] - [ 0.0007280500000000, -0.0040778700000000, -0.0004762100000000 ] - [ 0.0000610900000000, -0.0002291100000000, -0.0000255500000000 ] - [ 0.0000997700000000, -0.0034243700000000, 0.0051338800000000 ] - [ -0.0068433400000000, 0.0034466600000000, 0.0009082800000000 ] - [ -0.0001638500000000, 0.0002788700000000, -0.0001042600000000 ] - [ 0.0000322000000000, 0.0000606300000000, 0.0005129600000000 ] - [ 0.0304107300000000, 0.0162541300000000, 0.0163421100000000 ] - [ -0.0016041200000000, -0.0005649900000000, -0.0029887800000000 ] - [ -0.0000116900000000, -0.0000840900000000, -0.0001759900000000 ] - [ 0.0000540900000000, -0.0002333300000000, -0.0001465900000000 ] - [ -0.0007321600000000, 0.0003882100000000, -0.0000735700000000 ] - [ -0.0005123800000000, 0.0006086400000000, -0.0028989800000000 ] - [ 0.0001419500000000, -0.0000046500000000, 0.0000638500000000 ] - [ -0.0000298600000000, -0.0000035200000000, 0.0001135000000000 ] - [ 0.0021921600000000, -0.0048442200000000, 0.0023056500000000 ] - [ 0.0000277400000000, 0.0001284200000000, 0.0002696600000000 ] - [ -0.0000344000000000, -0.0003033800000000, 0.0002703700000000 ] - [ 0.0000429100000000, 0.0003977800000000, -0.0001645800000000 ] - [ 0.0003098200000000, 0.0000021000000000, -0.0001097300000000 ] - [ -0.0000023700000000, -0.0001208600000000, -0.0001329800000000 ] - [ 0.0217220000000000, -0.0001364900000000, -0.0008130600000000 ] - [ 0.0000628100000000, -0.0000539500000000, -0.0001067900000000 ] - [ 0.0022816900000000, -0.0010850600000000, -0.0018402100000000 ] - [ 0.0022120800000000, 0.0061158800000000, 0.0015139400000000 ] - [ -0.0000794900000000, 0.0001096100000000, 0.0000540600000000 ] - [ 0.0000748200000000, 0.0000959000000000, 0.0000482300000000 ] - [ -0.0001798400000000, -0.0003016900000000, -0.0000760900000000 ] - [ -0.0009417700000000, -0.0002349300000000, -0.0003616600000000 ] - [ -0.0003518800000000, 0.0000428800000000, 0.0005955800000000 ] - [ -0.0000099400000000, -0.0000302600000000, 0.0001236800000000 ] - [ -0.0024190300000000, -0.0000727300000000, -0.0005436000000000 ] - [ -0.0000631700000000, -0.0001063600000000, 0.0000578500000000 ] - [ -0.0001947300000000, 0.0011466400000000, 0.0001652900000000 ] - [ 0.0000351100000000, 0.0001217300000000, -0.0001153700000000 ] - [ 0.0276061200000000, -0.0101022900000000, 0.0114085000000000 ] - [ 0.0001057100000000, -0.0000654300000000, -0.0001352700000000 ] - [ 0.0006990400000000, 0.0001825600000000, -0.0000763100000000 ] - [ -0.0000340400000000, -0.0001015400000000, -0.0000912400000000 ] - [ -0.0003351700000000, 0.0008139100000000, 0.0010225000000000 ] - [ -0.0002666100000000, -0.0007304100000000, -0.0044535100000000 ] - [ -0.0000942500000000, -0.0000677600000000, -0.0001491400000000 ] - [ -0.0001234300000000, -0.0000575400000000, 0.0002061900000000 ] - [ 0.0249960400000000, 0.0015573700000000, -0.0025456400000000 ] - [ 0.0000480000000000, -0.0000864500000000, 0.0000434000000000 ] - [ -0.0001064200000000, 0.0000179300000000, 0.0000490500000000 ] - [ -0.0010330800000000, 0.0003744800000000, 0.0000824600000000 ] - [ -0.0000841300000000, 0.0000866500000000, -0.0000435900000000 ] - [ 0.0023908200000000, 0.0062715200000000, 0.0010128700000000 ] - [ -0.0006965000000000, 0.0001260300000000, -0.0003510400000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000433100000000, -0.0001562400000000, 0.0001165900000000 ] - [ 0.0004616900000000, 0.0009629900000000, -0.0003263400000000 ] - [ -0.0089683100000000, -0.0034888000000000, 0.0017350100000000 ] - [ -0.0000515200000000, 0.0000154100000000, -0.0000277000000000 ] - [ 0.0000501000000000, 0.0001024600000000, 0.0004095900000000 ] - [ 0.0052585300000000, -0.0033513800000000, 0.0040188800000000 ] - [ -0.0000932500000000, -0.0000182400000000, -0.0001623100000000 ] - [ 0.0005179300000000, 0.0000567400000000, 0.0000318100000000 ] - [ 0.1726325200000000, 0.0207288400000000, 0.0109303800000000 ] - [ -0.0006628900000000, -0.0001909200000000, -0.0000204600000000 ] - [ -0.0009688600000000, 0.0002688800000000, -0.0013667500000000 ] - [ -0.0009609200000000, -0.0001096300000000, 0.0006256800000000 ] - [ -0.0000206800000000, -0.0000166900000000, 0.0005865800000000 ] - [ 0.0049932000000000, 0.0001272700000000, -0.0110322200000000 ] - [ -0.0001622100000000, -0.0000054800000000, 0.0000734600000000 ] - [ 0.0000600600000000, 0.0001114000000000, 0.0000602300000000 ] - [ -0.0024942700000000, 0.0059524000000000, -0.0007799400000000 ] - [ -0.0000358300000000, -0.0000824600000000, -0.0001802300000000 ] - [ 0.0154010600000000, -0.0012602800000000, 0.0081757100000000 ] - [ -0.0116943500000000, 0.0174098300000000, 0.0107943800000000 ] - [ 0.0004537400000000, -0.0000069300000000, 0.0002717700000000 ] - [ 0.0015247000000000, 0.0015750100000000, 0.0007116400000000 ] - [ -0.0001590700000000, 0.0006551900000000, 0.0002261900000000 ] - [ -0.0033491200000000, -0.0004381100000000, -0.0005588400000000 ] - [ 0.0017153600000000, 0.0015556200000000, 0.0006462600000000 ] - [ -0.0001217800000000, -0.0002120500000000, 0.0001631200000000 ] - [ 0.0000223900000000, -0.0000069500000000, -0.0000782000000000 ] - [ -0.0000723400000000, 0.0000170200000000, -0.0001065200000000 ] - [ 0.0187366100000000, -0.0159585700000000, 0.0116486200000000 ] - [ -0.0003717100000000, -0.0007502700000000, -0.0002663500000000 ] - [ 0.0000223400000000, -0.0000010600000000, -0.0001535600000000 ] - [ -0.0020666900000000, -0.0044669700000000, -0.0001787800000000 ] - [ -0.0004788300000000, 0.0008669800000000, -0.0003800800000000 ] - [ -0.0314532500000000, -0.0259042800000000, -0.0050567500000000 ] - [ 0.0002928900000000, 0.0000045300000000, 0.0001504400000000 ] - [ -0.0003655700000000, -0.0001966500000000, -0.0017967600000000 ] - [ -0.0001430700000000, 0.0002209800000000, 0.0001540400000000 ] - [ 0.0019328400000000, -0.0001907300000000, 0.0033001200000000 ] - [ 0.0000082500000000, 0.0000060400000000, -0.0001932200000000 ] - [ 0.0000784100000000, -0.0001294800000000, 0.0000752400000000 ] - [ -0.0106887400000000, -0.0001133200000000, 0.0007062000000000 ] - [ -0.0001331300000000, 0.0000037300000000, 0.0000632500000000 ] - [ 0.0000389000000000, -0.0000536800000000, 0.0001160300000000 ] - [ -0.0099721900000000, 0.0082693200000000, -0.0100479300000000 ] - [ 0.0000636800000000, -0.0000979000000000, 0.0000645600000000 ] - [ 0.0000627400000000, 0.0000946100000000, -0.0002752100000000 ] - [ 0.0167263700000000, -0.0019261500000000, 0.0082233600000000 ] - [ 0.0003331900000000, 0.0003544400000000, 0.0002432800000000 ] - [ -0.0025492100000000, 0.0000547900000000, 0.0010581600000000 ] - [ 0.0000002500000000, 0.0000128000000000, -0.0000521400000000 ] - [ -0.0109563100000000, 0.0095377400000000, -0.0101520400000000 ] - [ -0.0084599500000000, 0.0195974800000000, 0.0128060400000000 ] - [ -0.0000076400000000, -0.0007260800000000, -0.0001956500000000 ] - [ -0.0057999500000000, -0.0027834800000000, -0.0014983000000000 ] - [ -0.0021837800000000, 0.0023152700000000, -0.0006554600000000 ] - [ -0.0002470000000000, 0.0019370500000000, -0.0003680400000000 ] - [ 0.0014954700000000, -0.0017579400000000, 0.0008584000000000 ] - [ 0.0000230900000000, 0.0000980000000000, -0.0001928700000000 ] - [ 0.0001541100000000, 0.0001087300000000, -0.0020173100000000 ] - [ 0.0000593400000000, 0.0001065600000000, 0.0000646000000000 ] - [ 0.0014325300000000, -0.0005359800000000, -0.0011487200000000 ] - [ -0.0000067300000000, -0.0000016300000000, -0.0002325300000000 ] - [ 0.0000273500000000, -0.0001386000000000, -0.0002182900000000 ] - [ -0.0006259000000000, -0.0000433400000000, 0.0023402000000000 ] - [ -0.0019764600000000, -0.0047546400000000, 0.0007420300000000 ] - [ 0.0002539900000000, -0.0003216300000000, 0.0001980000000000 ] - [ -0.0002860100000000, -0.0004205600000000, 0.0004558400000000 ] - [ -0.0112518900000000, -0.0092765600000000, -0.0131831400000000 ] - [ -0.0007755700000000, -0.0008289600000000, -0.0007495300000000 ] - [ -0.0006264000000000, 0.0002017600000000, 0.0003873200000000 ] - [ -0.0001429300000000, 0.0004128400000000, 0.0001732800000000 ] - [ -0.0001222500000000, 0.0000343200000000, -0.0002702300000000 ] - [ 0.0003066100000000, 0.0011606200000000, -0.0004446200000000 ] - [ -0.0020685100000000, 0.0068480500000000, -0.0029846700000000 ] - [ -0.0000300000000000, 0.0001646900000000, -0.0002468100000000 ] - [ -0.0000046600000000, -0.0001382500000000, -0.0003145500000000 ] - [ -0.0021332000000000, -0.0009399000000000, 0.0022902900000000 ] - [ 0.0072673300000000, 0.0035435000000000, 0.0005016100000000 ] - [ 0.0000418700000000, -0.0000831500000000, -0.0001154200000000 ] - [ 0.0008925400000000, -0.0008965800000000, 0.0034983400000000 ] - [ -0.0005360600000000, -0.0033902100000000, -0.0060697100000000 ] - [ 0.0001273900000000, -0.0000154300000000, -0.0001950000000000 ] - [ -0.0000543600000000, 0.0039009600000000, -0.0001500500000000 ] - [ 0.0001091900000000, 0.0000527300000000, -0.0003065200000000 ] - [ -0.0007545000000000, -0.0000122600000000, -0.0002475900000000 ] - [ 0.0023440400000000, -0.0032200500000000, 0.0007969300000000 ] - [ -0.0006735500000000, -0.0000576500000000, 0.0005113600000000 ] - [ -0.0003313600000000, -0.0040718600000000, 0.0006040600000000 ] - [ -0.0000028500000000, -0.0000152600000000, -0.0002328800000000 ] - [ 0.0008476100000000, 0.0000049200000000, 0.0005181800000000 ] - [ 0.0016237600000000, -0.0027329700000000, -0.0059953300000000 ] - [ -0.0000746100000000, 0.0000129900000000, -0.0001936500000000 ] - [ -0.0000654700000000, -0.0000057200000000, 0.0003323100000000 ] - [ 0.0083876200000000, 0.0006671300000000, 0.0059463900000000 ] - [ 0.0073354700000000, -0.0026225000000000, 0.0003057900000000 ] - [ -0.0001579200000000, -0.0030357800000000, -0.0002121300000000 ] - [ -0.0299364200000000, 0.0015252100000000, 0.0070856700000000 ] - [ 0.0023756500000000, 0.0004052100000000, -0.0005407200000000 ] - [ 0.0000250300000000, 0.0000250300000000, -0.0000423400000000 ] - [ -0.0000972500000000, 0.0000067900000000, -0.0001264800000000 ] - [ 0.0006153200000000, 0.0009511300000000, -0.0004101800000000 ] - [ 0.0005478100000000, 0.0006181500000000, -0.0000942300000000 ] - [ 0.0002818000000000, -0.0002150500000000, 0.0003574600000000 ] - [ 0.0000347700000000, -0.0000945000000000, -0.0001072300000000 ] - [ 0.0001943600000000, 0.0001188700000000, -0.0004163800000000 ] - [ 0.0000649500000000, 0.0000807900000000, -0.0001121700000000 ] - [ -0.0002817700000000, 0.0003077000000000, -0.0008283500000000 ] - [ -0.0223098700000000, -0.0031419400000000, 0.0008540300000000 ] - [ -0.0059742300000000, 0.0003581200000000, -0.0005768100000000 ] - [ 0.0000507600000000, -0.0000375000000000, -0.0003550100000000 ] - [ -0.0008268400000000, 0.0001447400000000, -0.0004073200000000 ] - [ -0.0005175300000000, -0.0000074700000000, 0.0002707600000000 ] - [ 0.0000334400000000, -0.0000428700000000, 0.0003527600000000 ] - [ 0.0026138500000000, -0.0028430700000000, 0.0001107700000000 ] - [ -0.0003362600000000, -0.0005284000000000, -0.0008788900000000 ] - [ -0.0001029300000000, 0.0000575700000000, -0.0000281400000000 ] - [ 0.0079742000000000, -0.0006693400000000, 0.0035800300000000 ] - [ -0.0001144900000000, 0.0000045600000000, -0.0000653700000000 ] - [ 0.0002502600000000, 0.0008557400000000, 0.0004981200000000 ] - [ 0.0023792600000000, 0.0033157900000000, 0.0004321200000000 ] - [ 0.0001657300000000, 0.0008334100000000, -0.0002900100000000 ] - [ -0.0000479000000000, 0.0002233000000000, 0.0005061100000000 ] - [ 0.0004380200000000, -0.0001448000000000, -0.0007125900000000 ] - [ 0.0028758600000000, 0.0028720200000000, 0.0009157000000000 ] - [ 0.0000280900000000, -0.0001022300000000, -0.0001195000000000 ] - [ -0.0006124300000000, 0.0040943200000000, 0.0008450600000000 ] - [ 0.0000125500000000, 0.0000046600000000, -0.0001024700000000 ] - [ -0.0001583800000000, 0.0034193500000000, -0.0052186900000000 ] - [ 0.0076586800000000, -0.0034562800000000, -0.0012164800000000 ] - [ -0.0001801400000000, 0.0003273700000000, -0.0002628100000000 ] - [ 0.0000280700000000, 0.0000437500000000, 0.0003562400000000 ] - [ -0.0303787100000000, -0.0167295800000000, -0.0161266000000000 ] - [ 0.0014032700000000, 0.0005504500000000, 0.0030578700000000 ] - [ -0.0000514300000000, -0.0000083500000000, -0.0001929100000000 ] - [ -0.0001852500000000, 0.0000068900000000, 0.0001592100000000 ] - [ 0.0004119100000000, -0.0009377600000000, 0.0000735500000000 ] - [ 0.0003976300000000, -0.0006026500000000, 0.0020326100000000 ] - [ 0.0001161300000000, 0.0000030300000000, -0.0000763900000000 ] - [ -0.0000270300000000, 0.0000045500000000, -0.0000294100000000 ] - [ -0.0022666200000000, 0.0047652400000000, -0.0019312800000000 ] - [ -0.0000259100000000, -0.0001279500000000, 0.0000505800000000 ] - [ 0.0001925300000000, 0.0001282100000000, -0.0004015400000000 ] - [ -0.0002570800000000, -0.0002844000000000, 0.0005780900000000 ] - [ 0.0003872100000000, 0.0000031000000000, -0.0002573900000000 ] - [ 0.0000168200000000, -0.0001197000000000, -0.0002824800000000 ] - [ -0.0214225300000000, 0.0005175700000000, 0.0007929400000000 ] - [ 0.0000532800000000, 0.0000572900000000, -0.0002649400000000 ] - [ -0.0021777800000000, 0.0009092800000000, 0.0019115400000000 ] - [ -0.0023724200000000, -0.0063852500000000, -0.0012432600000000 ] - [ -0.0000509700000000, 0.0001129900000000, -0.0000668500000000 ] - [ 0.0000241300000000, 0.0000873900000000, -0.0001169400000000 ] - [ -0.0001672700000000, -0.0002995100000000, -0.0002889800000000 ] - [ 0.0005348500000000, -0.0004637800000000, 0.0006801400000000 ] - [ 0.0011572300000000, -0.0000493100000000, -0.0002768000000000 ] - [ 0.0000392900000000, -0.0000185000000000, -0.0000394800000000 ] - [ 0.0024437700000000, 0.0000208500000000, 0.0004462000000000 ] - [ -0.0000674200000000, -0.0001198700000000, -0.0000691200000000 ] - [ -0.0000145500000000, -0.0011435000000000, -0.0000988000000000 ] - [ -0.0000158200000000, 0.0001194900000000, -0.0003023900000000 ] - [ -0.0275455900000000, 0.0106518400000000, -0.0115365000000000 ] - [ 0.0000993400000000, -0.0000647700000000, -0.0002765500000000 ] - [ -0.0006242900000000, 0.0000462700000000, -0.0000550200000000 ] - [ -0.0001136800000000, -0.0001541500000000, -0.0001733900000000 ] - [ 0.0005325400000000, -0.0006772500000000, -0.0006052700000000 ] - [ 0.0009041500000000, 0.0007407300000000, 0.0044387100000000 ] - [ -0.0001213700000000, -0.0000398900000000, -0.0002662500000000 ] - [ 0.0001222700000000, 0.0000557100000000, -0.0002064500000000 ] - [ -0.0228614300000000, -0.0015874700000000, 0.0012444800000000 ] - [ -0.0000339000000000, -0.0001550500000000, 0.0003731700000000 ] - [ -0.0001037700000000, -0.0000124000000000, -0.0001165300000000 ] - [ 0.0011426000000000, -0.0002018300000000, -0.0000173700000000 ] - [ 0.0000288500000000, 0.0000158400000000, -0.0003278100000000 ] - [ -0.0026093200000000, -0.0061930900000000, -0.0008874900000000 ] - [ 0.0005675600000000, 0.0000967200000000, 0.0003622100000000 ]- atom: 9 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0001273900000000, -0.0000168100000000, -0.0000138400000000 ] - [ -0.0008863300000000, 0.0029026200000000, 0.0014062800000000 ] - [ -0.0028844000000000, -0.0021632600000000, 0.0000248900000000 ] - [ -0.0000932800000000, -0.0000464600000000, -0.0002459500000000 ] - [ 0.0000195200000000, 0.0000435500000000, 0.0001695000000000 ] - [ 0.0055664300000000, -0.0034521700000000, -0.0037460000000000 ] - [ -0.0000185000000000, -0.0000305100000000, -0.0001728700000000 ] - [ 0.0002309400000000, -0.0003967000000000, 0.0003735100000000 ] - [ 0.0693060600000000, -0.2050648700000000, 0.0049149500000000 ] - [ -0.0003899500000000, -0.0001124800000000, -0.0003282800000000 ] - [ -0.0005399900000000, -0.0019568500000000, -0.0005571300000000 ] - [ -0.0004445700000000, -0.0003536200000000, 0.0003601100000000 ] - [ -0.0000148700000000, -0.0000114100000000, 0.0004142100000000 ] - [ 0.0025037700000000, -0.0032145300000000, 0.0103262600000000 ] - [ -0.0001374200000000, -0.0000110000000000, -0.0000532500000000 ] - [ 0.0000576800000000, 0.0001136700000000, -0.0000516300000000 ] - [ -0.0067166100000000, 0.0111583000000000, -0.0008430900000000 ] - [ 0.0000042400000000, -0.0000755300000000, -0.0003390500000000 ] - [ 0.0065782300000000, 0.0378534900000000, 0.0029930700000000 ] - [ -0.0131981400000000, 0.0068871000000000, 0.0120704100000000 ] - [ 0.0003562500000000, 0.0002627600000000, -0.0001854400000000 ] - [ -0.0006821800000000, 0.0006985100000000, 0.0013682600000000 ] - [ -0.0002123800000000, 0.0007539400000000, 0.0000654500000000 ] - [ -0.0022284700000000, 0.0026951500000000, -0.0002271300000000 ] - [ -0.0005542500000000, 0.0057856600000000, 0.0020903600000000 ] - [ -0.0001474000000000, -0.0002270100000000, 0.0000322700000000 ] - [ 0.0000154100000000, -0.0000169400000000, -0.0001566800000000 ] - [ -0.0001035900000000, -0.0000330600000000, -0.0002799700000000 ] - [ 0.0227624000000000, -0.0094785800000000, -0.0139776500000000 ] - [ 0.0006004600000000, 0.0009805000000000, 0.0006829900000000 ] - [ 0.0000096700000000, -0.0000176700000000, -0.0003743200000000 ] - [ 0.0036085000000000, 0.0041382700000000, 0.0001408700000000 ] - [ -0.0011303100000000, 0.0016420500000000, -0.0007264900000000 ] - [ 0.0053251300000000, -0.0161293300000000, -0.0084726200000000 ] - [ 0.0002932800000000, -0.0000133100000000, 0.0000269900000000 ] - [ 0.0004663200000000, -0.0004011000000000, 0.0010626300000000 ] - [ -0.0001370300000000, 0.0002499500000000, 0.0000328000000000 ] - [ 0.0011663500000000, -0.0009415800000000, 0.0015259800000000 ] - [ -0.0000089100000000, 0.0000238800000000, -0.0003210800000000 ] - [ 0.0000589200000000, -0.0001378900000000, -0.0000483500000000 ] - [ -0.0053466200000000, -0.0006208600000000, 0.0002365900000000 ] - [ -0.0001110400000000, 0.0000258300000000, -0.0000575700000000 ] - [ -0.0000257700000000, 0.0000552600000000, 0.0000161900000000 ] - [ -0.0203017800000000, 0.0013429700000000, -0.0103156300000000 ] - [ 0.0000545700000000, -0.0000754600000000, -0.0000636200000000 ] - [ 0.0000172200000000, 0.0000238800000000, -0.0004417900000000 ] - [ 0.0113375100000000, 0.0379214500000000, 0.0048440800000000 ] - [ -0.0000407600000000, -0.0003100400000000, 0.0000457300000000 ] - [ -0.0013608900000000, 0.0000480900000000, 0.0006080900000000 ] - [ 0.0000012800000000, 0.0000194600000000, -0.0002359900000000 ] - [ -0.0213490100000000, 0.0048753500000000, -0.0124755100000000 ] - [ -0.0136375300000000, 0.0074686700000000, 0.0122514600000000 ] - [ 0.0002194400000000, 0.0003378300000000, -0.0001702900000000 ] - [ -0.0011207000000000, -0.0022296500000000, -0.0002652000000000 ] - [ 0.0007157700000000, 0.0036077100000000, -0.0011191900000000 ] - [ -0.0014951200000000, 0.0048564300000000, -0.0018354700000000 ] - [ 0.0023628700000000, -0.0005618700000000, -0.0008519900000000 ] - [ 0.0000259400000000, 0.0001343800000000, -0.0003580700000000 ] - [ -0.0003319400000000, -0.0008250500000000, -0.0030796800000000 ] - [ 0.0000652200000000, 0.0000763000000000, -0.0000641500000000 ] - [ 0.0010077200000000, -0.0016926700000000, -0.0027344700000000 ] - [ -0.0000343300000000, -0.0000484800000000, -0.0002864500000000 ] - [ 0.0000842600000000, -0.0000150500000000, -0.0003426500000000 ] - [ -0.0005270400000000, -0.0003325100000000, 0.0019280600000000 ] - [ 0.0030589600000000, 0.0038395400000000, 0.0001688100000000 ] - [ -0.0000509900000000, -0.0000765800000000, 0.0003842200000000 ] - [ -0.0000032500000000, -0.0004098100000000, 0.0000162900000000 ] - [ 0.0097786400000000, -0.0073850300000000, 0.0043235600000000 ] - [ 0.0003120100000000, 0.0010429000000000, 0.0002471600000000 ] - [ 0.0000013200000000, 0.0004407600000000, 0.0002416600000000 ] - [ -0.0002180500000000, 0.0006590100000000, -0.0001792900000000 ] - [ -0.0001072900000000, 0.0000456900000000, -0.0001679300000000 ] - [ -0.0010251800000000, -0.0008037300000000, -0.0000515300000000 ] - [ -0.0073774100000000, -0.0015922800000000, 0.0028110700000000 ] - [ -0.0001074700000000, 0.0001090500000000, -0.0001147300000000 ] - [ -0.0000324200000000, -0.0003241200000000, -0.0002023000000000 ] - [ -0.0021875200000000, -0.0021153300000000, 0.0056016400000000 ] - [ 0.0033673800000000, 0.0023327500000000, 0.0007792600000000 ] - [ 0.0000489500000000, -0.0000980300000000, -0.0000041800000000 ] - [ 0.0035069100000000, -0.0008869600000000, 0.0067678600000000 ] - [ 0.0005302700000000, -0.0005433100000000, -0.0045736800000000 ] - [ 0.0001026700000000, 0.0000324400000000, -0.0001133100000000 ] - [ -0.0008610300000000, -0.0043782800000000, -0.0005245300000000 ] - [ 0.0001152400000000, 0.0000414700000000, -0.0002003000000000 ] - [ -0.0003398200000000, 0.0005717500000000, -0.0001877300000000 ] - [ 0.0057104100000000, -0.0055837700000000, 0.0007547900000000 ] - [ -0.0003376200000000, 0.0005642600000000, 0.0005310300000000 ] - [ 0.0012443000000000, -0.0081724800000000, 0.0011846500000000 ] - [ 0.0001682400000000, 0.0000590400000000, -0.0002265700000000 ] - [ 0.0010542000000000, 0.0000074500000000, 0.0007837900000000 ] - [ 0.0010382200000000, -0.0004966900000000, -0.0033460700000000 ] - [ -0.0000424600000000, 0.0001728600000000, -0.0001382700000000 ] - [ -0.0000584500000000, 0.0000032900000000, 0.0004382700000000 ] - [ 0.0038546200000000, 0.0055382600000000, 0.0027425000000000 ] - [ 0.0041106100000000, -0.0009653700000000, -0.0002609900000000 ] - [ 0.0013330500000000, -0.0066937400000000, -0.0000184200000000 ] - [ -0.0162055500000000, 0.0219544700000000, 0.0022672500000000 ] - [ 0.0011240500000000, 0.0006653400000000, -0.0003314700000000 ] - [ 0.0000236100000000, 0.0000119200000000, 0.0000512300000000 ] - [ -0.0001156000000000, 0.0000050900000000, -0.0000144500000000 ] - [ -0.0006732700000000, -0.0009957900000000, 0.0000348500000000 ] - [ 0.0007953900000000, -0.0007340900000000, -0.0001447600000000 ] - [ 0.0005639600000000, -0.0004074400000000, 0.0006674000000000 ] - [ 0.0000502400000000, -0.0000989000000000, -0.0000330500000000 ] - [ 0.0000207900000000, 0.0001010000000000, -0.0003030500000000 ] - [ 0.0000577400000000, 0.0000789600000000, -0.0000195800000000 ] - [ -0.0003188000000000, 0.0006854400000000, -0.0001950800000000 ] - [ -0.0068997800000000, 0.0098049300000000, 0.0063292900000000 ] - [ -0.0029942200000000, 0.0050294200000000, 0.0002105700000000 ] - [ -0.0000256900000000, -0.0000128300000000, -0.0001934500000000 ] - [ -0.0005142500000000, 0.0006232200000000, 0.0002204200000000 ] - [ 0.0000424400000000, 0.0001685500000000, -0.0006860200000000 ] - [ 0.0000201900000000, -0.0000658700000000, 0.0004441900000000 ] - [ 0.0065351300000000, -0.0050977100000000, -0.0005044700000000 ] - [ -0.0001354100000000, -0.0003804400000000, -0.0007186200000000 ] - [ -0.0001013700000000, 0.0000694900000000, 0.0002701300000000 ] - [ 0.0040663700000000, 0.0055880300000000, 0.0014261200000000 ] - [ -0.0000687000000000, 0.0000745800000000, -0.0000344100000000 ] - [ -0.0004310700000000, 0.0000790700000000, -0.0000668200000000 ] - [ -0.0040606000000000, -0.0021415600000000, -0.0009672100000000 ] - [ -0.0001612300000000, 0.0004092600000000, 0.0000111800000000 ] - [ -0.0002218300000000, -0.0001470300000000, -0.0000635600000000 ] - [ 0.0000501600000000, 0.0000202200000000, -0.0002496200000000 ] - [ -0.0028749800000000, -0.0010911100000000, 0.0003128800000000 ] - [ 0.0000253000000000, -0.0001312400000000, 0.0001130700000000 ] - [ -0.0018300500000000, -0.0034361700000000, -0.0008419600000000 ] - [ -0.0000102500000000, -0.0002821900000000, -0.0001866300000000 ] - [ -0.0007112000000000, 0.0029982400000000, -0.0023530400000000 ] - [ 0.0042601900000000, -0.0011503600000000, -0.0007156700000000 ] - [ -0.0001723600000000, 0.0003031900000000, -0.0001737800000000 ] - [ 0.0000326700000000, 0.0000574100000000, 0.0004594000000000 ] - [ 0.0003600200000000, 0.0445750800000000, 0.0147300200000000 ] - [ -0.0020431600000000, 0.0009097200000000, -0.0016487100000000 ] - [ -0.0000575800000000, -0.0000722200000000, -0.0002470100000000 ] - [ 0.0002238000000000, -0.0006167500000000, -0.0003779600000000 ] - [ -0.0002654000000000, -0.0015257000000000, 0.0002221400000000 ] - [ 0.0023134000000000, 0.0003841900000000, 0.0037708800000000 ] - [ 0.0001202000000000, 0.0000092100000000, 0.0000062500000000 ] - [ -0.0000294600000000, 0.0000160600000000, 0.0000482900000000 ] - [ -0.0072385500000000, -0.0035008500000000, 0.0036710000000000 ] - [ 0.0000358600000000, -0.0001641600000000, 0.0001620000000000 ] - [ -0.0000527500000000, -0.0003371400000000, 0.0001987300000000 ] - [ 0.0001467400000000, -0.0004560000000000, 0.0010301600000000 ] - [ 0.0003716800000000, 0.0000024800000000, -0.0001555800000000 ] - [ -0.0000075500000000, -0.0001251800000000, -0.0001904800000000 ] - [ -0.0113108100000000, 0.0170826200000000, -0.0014326600000000 ] - [ 0.0000392700000000, -0.0000574400000000, -0.0001286100000000 ] - [ 0.0000720800000000, -0.0015274800000000, -0.0026020500000000 ] - [ 0.0031040000000000, -0.0084591800000000, -0.0040717300000000 ] - [ -0.0000615600000000, 0.0001139700000000, 0.0000017100000000 ] - [ 0.0000410400000000, 0.0001149900000000, -0.0000219400000000 ] - [ -0.0001650700000000, -0.0002823000000000, -0.0001883100000000 ] - [ -0.0000255200000000, 0.0005842700000000, 0.0002700500000000 ] - [ 0.0009074500000000, -0.0000160100000000, -0.0001621100000000 ] - [ 0.0000240200000000, -0.0000117500000000, 0.0000559200000000 ] - [ 0.0010204000000000, 0.0005072900000000, 0.0001795900000000 ] - [ -0.0000605700000000, -0.0001268500000000, 0.0000004300000000 ] - [ 0.0012381900000000, -0.0019663900000000, -0.0003336300000000 ] - [ -0.0000034700000000, 0.0001261500000000, -0.0002180000000000 ] - [ -0.0255685500000000, 0.0508934900000000, -0.0246628000000000 ] - [ 0.0000961600000000, -0.0000710900000000, -0.0001984900000000 ] - [ -0.0003167000000000, 0.0003297600000000, 0.0006737800000000 ] - [ -0.0000759600000000, -0.0001919900000000, -0.0000062900000000 ] - [ 0.0003963300000000, -0.0004363500000000, -0.0002271100000000 ] - [ -0.0015642400000000, 0.0014448900000000, -0.0037680900000000 ] - [ -0.0001212200000000, -0.0000277600000000, -0.0001832400000000 ] - [ 0.0000901600000000, 0.0000337000000000, 0.0000088100000000 ] - [ -0.0107328400000000, 0.0190743200000000, 0.0028979500000000 ] - [ -0.0003048800000000, -0.0006661200000000, 0.0007341400000000 ] - [ -0.0000961100000000, -0.0000204600000000, -0.0000167400000000 ] - [ 0.0000922300000000, -0.0010029100000000, -0.0000143500000000 ] - [ 0.0000307100000000, -0.0000153400000000, -0.0002334100000000 ] - [ 0.0051410800000000, -0.0081098100000000, -0.0030430000000000 ] - [ -0.0002295800000000, 0.0001263100000000, -0.0002110200000000 ]- atom: 9 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0000691900000000, -0.0000832700000000, 0.0000146100000000 ] - [ 0.0008805000000000, -0.0029033300000000, -0.0014218100000000 ] - [ 0.0029039000000000, 0.0021756100000000, 0.0003765500000000 ] - [ -0.0000227700000000, 0.0000475600000000, 0.0002473700000000 ] - [ 0.0000398000000000, 0.0000589000000000, -0.0001690400000000 ] - [ -0.0055642400000000, 0.0034331900000000, 0.0037670900000000 ] - [ 0.0000186400000000, 0.0000303500000000, -0.0002305000000000 ] - [ -0.0002380900000000, 0.0003944000000000, -0.0000360100000000 ] - [ -0.0684253900000000, 0.2042499400000000, -0.0030705600000000 ] - [ 0.0003897800000000, 0.0001099500000000, -0.0005159500000000 ] - [ 0.0006882900000000, 0.0021585600000000, 0.0006394200000000 ] - [ 0.0004284900000000, 0.0003957000000000, 0.0000671300000000 ] - [ 0.0000130600000000, 0.0000082700000000, 0.0004307100000000 ] - [ -0.0025036400000000, 0.0032089600000000, -0.0097464600000000 ] - [ -0.0001110900000000, -0.0000148100000000, -0.0000263100000000 ] - [ 0.0000378500000000, 0.0001130000000000, -0.0000292100000000 ] - [ 0.0065222300000000, -0.0106772400000000, 0.0006500600000000 ] - [ 0.0000639000000000, -0.0000411300000000, -0.0002869300000000 ] - [ -0.0070592900000000, -0.0387012000000000, -0.0032145100000000 ] - [ 0.0131919300000000, -0.0068087700000000, -0.0113043000000000 ] - [ 0.0001649600000000, -0.0001960500000000, 0.0003842900000000 ] - [ 0.0004048000000000, -0.0011876700000000, -0.0014641400000000 ] - [ 0.0000106800000000, -0.0002689200000000, 0.0001322700000000 ] - [ 0.0027268200000000, -0.0027776300000000, 0.0000310500000000 ] - [ 0.0006484400000000, -0.0056539000000000, -0.0014343700000000 ] - [ -0.0001308600000000, -0.0002552100000000, 0.0000656800000000 ] - [ -0.0000223400000000, 0.0000148800000000, -0.0001804100000000 ] - [ -0.0000559900000000, 0.0000276900000000, -0.0003730400000000 ] - [ -0.0229607200000000, 0.0095752900000000, 0.0145917100000000 ] - [ -0.0008377000000000, -0.0009592000000000, -0.0006017900000000 ] - [ -0.0000085200000000, 0.0000216900000000, -0.0002501600000000 ] - [ -0.0035405600000000, -0.0042962200000000, 0.0005170500000000 ] - [ 0.0012722400000000, -0.0018365600000000, 0.0008121900000000 ] - [ -0.0056557500000000, 0.0155917900000000, 0.0082670900000000 ] - [ 0.0002648700000000, 0.0000126400000000, 0.0000732100000000 ] - [ -0.0004204100000000, 0.0004084700000000, -0.0006321100000000 ] - [ -0.0001427300000000, 0.0002330900000000, 0.0000673700000000 ] - [ -0.0010656200000000, 0.0007131400000000, -0.0014533600000000 ] - [ 0.0000116600000000, -0.0000206800000000, -0.0003036400000000 ] - [ 0.0000430700000000, -0.0000902300000000, -0.0000312200000000 ] - [ 0.0053025600000000, 0.0006647000000000, -0.0006652300000000 ] - [ -0.0001278800000000, -0.0000038200000000, -0.0000221600000000 ] - [ 0.0005455600000000, -0.0001266800000000, 0.0001819000000000 ] - [ 0.0202104900000000, -0.0013799100000000, 0.0110568700000000 ] - [ 0.0000840500000000, -0.0001204500000000, -0.0000161100000000 ] - [ 0.0000611100000000, 0.0001112800000000, -0.0002096000000000 ] - [ -0.0106451700000000, -0.0374616300000000, -0.0050362200000000 ] - [ -0.0002808500000000, 0.0007251600000000, 0.0001538500000000 ] - [ 0.0011156100000000, -0.0000754500000000, -0.0005281900000000 ] - [ 0.0000004900000000, -0.0000263800000000, -0.0001008300000000 ] - [ 0.0213882700000000, -0.0046456200000000, 0.0129245000000000 ] - [ 0.0135444100000000, -0.0074035800000000, -0.0117977900000000 ] - [ -0.0001245300000000, -0.0005028000000000, -0.0003962000000000 ] - [ 0.0011851200000000, 0.0021194600000000, 0.0008989600000000 ] - [ -0.0007205700000000, -0.0036329000000000, 0.0006870000000000 ] - [ 0.0014944400000000, -0.0048480100000000, 0.0024708900000000 ] - [ -0.0022701200000000, 0.0007913300000000, 0.0009344700000000 ] - [ 0.0000414900000000, -0.0000178200000000, -0.0002678100000000 ] - [ 0.0004272800000000, 0.0009868600000000, 0.0025089000000000 ] - [ 0.0000832700000000, 0.0001197500000000, -0.0000167100000000 ] - [ -0.0004535200000000, 0.0016969600000000, 0.0026380200000000 ] - [ -0.0001007500000000, 0.0000493400000000, -0.0003393800000000 ] - [ -0.0000093400000000, -0.0001258100000000, -0.0003103500000000 ] - [ 0.0003351700000000, 0.0003339400000000, -0.0024935500000000 ] - [ -0.0029631900000000, -0.0039908700000000, 0.0003903400000000 ] - [ -0.0002693400000000, -0.0003395700000000, -0.0001872000000000 ] - [ -0.0001986800000000, -0.0000760000000000, 0.0001815500000000 ] - [ -0.0096685300000000, 0.0073903700000000, -0.0047093400000000 ] - [ -0.0005939200000000, -0.0005621100000000, -0.0003472600000000 ] - [ -0.0000211100000000, -0.0004757000000000, 0.0001807500000000 ] - [ 0.0002190800000000, -0.0006672100000000, 0.0005186800000000 ] - [ -0.0001080300000000, 0.0000667100000000, -0.0002445700000000 ] - [ 0.0010876500000000, 0.0006952400000000, -0.0008195100000000 ] - [ 0.0075092400000000, 0.0014141000000000, -0.0026837000000000 ] - [ -0.0000396000000000, 0.0001468100000000, -0.0001501200000000 ] - [ 0.0000137600000000, 0.0002927000000000, -0.0003353500000000 ] - [ 0.0022854800000000, 0.0019284300000000, -0.0055378000000000 ] - [ -0.0033662900000000, -0.0022889100000000, -0.0002337600000000 ] - [ 0.0000609000000000, -0.0000811100000000, -0.0000638400000000 ] - [ -0.0032965300000000, 0.0012597200000000, -0.0067664900000000 ] - [ -0.0009793000000000, 0.0005229400000000, 0.0045726900000000 ] - [ 0.0000123600000000, -0.0000356400000000, -0.0002563100000000 ] - [ 0.0009522600000000, 0.0041430900000000, 0.0006618200000000 ] - [ 0.0000840000000000, 0.0000959100000000, -0.0002182200000000 ] - [ 0.0003599500000000, -0.0003314400000000, 0.0006055300000000 ] - [ -0.0057734400000000, 0.0056758600000000, -0.0004012900000000 ] - [ 0.0001239900000000, -0.0006729900000000, -0.0001149000000000 ] - [ -0.0012743300000000, 0.0081445000000000, -0.0006291800000000 ] - [ 0.0001271100000000, -0.0000589000000000, -0.0000385800000000 ] - [ -0.0003588500000000, -0.0000031400000000, -0.0004191200000000 ] - [ -0.0009798000000000, 0.0006196500000000, 0.0024896800000000 ] - [ -0.0000181300000000, -0.0000749700000000, -0.0002318100000000 ] - [ -0.0000689900000000, -0.0000058600000000, 0.0004304700000000 ] - [ -0.0039162500000000, -0.0056620400000000, -0.0023730600000000 ] - [ -0.0039963700000000, 0.0009777000000000, 0.0006239600000000 ] - [ -0.0013214300000000, 0.0066991500000000, -0.0003185500000000 ] - [ 0.0158199300000000, -0.0218300100000000, -0.0016456600000000 ] - [ -0.0014420500000000, -0.0000985300000000, 0.0003304200000000 ] - [ 0.0000063700000000, 0.0000400400000000, 0.0000334100000000 ] - [ -0.0000968300000000, -0.0000101100000000, -0.0000535100000000 ] - [ 0.0008969400000000, 0.0006070700000000, -0.0000325600000000 ] - [ -0.0007698600000000, 0.0007850700000000, 0.0000572900000000 ] - [ -0.0004030900000000, 0.0005869400000000, -0.0007962400000000 ] - [ 0.0000517100000000, -0.0000877200000000, -0.0000348500000000 ] - [ -0.0000374700000000, -0.0000716900000000, -0.0002368900000000 ] - [ 0.0000513200000000, 0.0000978900000000, -0.0000497900000000 ] - [ 0.0000882100000000, -0.0007341900000000, 0.0000658900000000 ] - [ 0.0079476300000000, -0.0111530000000000, -0.0050598600000000 ] - [ 0.0031022600000000, -0.0048669800000000, -0.0001410600000000 ] - [ -0.0000224800000000, -0.0000879300000000, -0.0001756100000000 ] - [ 0.0007746100000000, -0.0006258100000000, -0.0002059800000000 ] - [ -0.0000081400000000, -0.0001693700000000, 0.0001447000000000 ] - [ 0.0000412900000000, -0.0000457800000000, 0.0004245700000000 ] - [ -0.0063667500000000, 0.0052806000000000, 0.0006485800000000 ] - [ -0.0000955800000000, 0.0004278000000000, 0.0005882300000000 ] - [ 0.0001006900000000, -0.0000676600000000, 0.0000497800000000 ] - [ -0.0044531400000000, -0.0062636200000000, -0.0017350700000000 ] - [ 0.0000680900000000, -0.0000756100000000, 0.0000338600000000 ] - [ 0.0000199100000000, 0.0006138800000000, 0.0003833300000000 ] - [ 0.0036318300000000, 0.0028242400000000, 0.0006488000000000 ] - [ -0.0001839400000000, 0.0001957800000000, 0.0003554700000000 ] - [ 0.0004271900000000, 0.0000179400000000, 0.0004765800000000 ] - [ -0.0003979200000000, -0.0006212500000000, 0.0006129300000000 ] - [ 0.0027414300000000, 0.0013538300000000, -0.0000493300000000 ] - [ -0.0000257000000000, 0.0001304000000000, -0.0001140800000000 ] - [ 0.0019299100000000, 0.0034488000000000, 0.0012063900000000 ] - [ 0.0000847800000000, 0.0000578000000000, 0.0000595400000000 ] - [ 0.0006562500000000, -0.0030093200000000, 0.0022768200000000 ] - [ -0.0034447000000000, 0.0011204700000000, 0.0004021700000000 ] - [ -0.0001716800000000, 0.0003031100000000, -0.0001937600000000 ] - [ 0.0000276000000000, 0.0000469800000000, 0.0004089700000000 ] - [ -0.0009687700000000, -0.0453738200000000, -0.0148189200000000 ] - [ 0.0018388500000000, -0.0009199900000000, 0.0017231700000000 ] - [ -0.0000055900000000, -0.0000203300000000, -0.0001219200000000 ] - [ -0.0003568900000000, 0.0003903700000000, 0.0003896600000000 ] - [ -0.0000575200000000, 0.0009707900000000, -0.0002185300000000 ] - [ -0.0024397700000000, -0.0003846900000000, -0.0046473200000000 ] - [ 0.0001379400000000, -0.0000108400000000, -0.0000191200000000 ] - [ -0.0000271900000000, -0.0000150500000000, 0.0000353500000000 ] - [ 0.0072070800000000, 0.0034187100000000, -0.0033042400000000 ] - [ -0.0000340200000000, 0.0001642700000000, 0.0001585700000000 ] - [ 0.0002109100000000, 0.0001623000000000, -0.0003301500000000 ] - [ -0.0003609100000000, 0.0005690300000000, -0.0006199800000000 ] - [ 0.0003253900000000, 0.0000027100000000, -0.0002119700000000 ] - [ 0.0000221500000000, -0.0001153800000000, -0.0002256400000000 ] - [ 0.0114200900000000, -0.0168485200000000, 0.0012629200000000 ] - [ 0.0000766800000000, 0.0000608900000000, -0.0002431600000000 ] - [ 0.0000247100000000, 0.0013562600000000, 0.0026713600000000 ] - [ -0.0032456600000000, 0.0081662800000000, 0.0043009400000000 ] - [ -0.0000688900000000, 0.0001086500000000, -0.0000147700000000 ] - [ 0.0000575900000000, 0.0000679700000000, -0.0000474000000000 ] - [ -0.0001820300000000, -0.0003189300000000, -0.0001771800000000 ] - [ -0.0003789400000000, -0.0012822900000000, 0.0000477300000000 ] - [ -0.0001010700000000, 0.0000076400000000, 0.0004791800000000 ] - [ 0.0000052900000000, -0.0000368600000000, 0.0000278000000000 ] - [ -0.0009940100000000, -0.0005560900000000, -0.0002651000000000 ] - [ -0.0000700500000000, -0.0000993800000000, -0.0000120100000000 ] - [ -0.0014474300000000, 0.0019685300000000, 0.0003880200000000 ] - [ 0.0000228600000000, 0.0001151000000000, -0.0002002500000000 ] - [ 0.0241979700000000, -0.0475465500000000, 0.0223122000000000 ] - [ 0.0001088300000000, -0.0000591900000000, -0.0002139200000000 ] - [ 0.0003898200000000, -0.0001004300000000, -0.0008045800000000 ] - [ -0.0000718100000000, -0.0000634900000000, -0.0002581100000000 ] - [ -0.0001985600000000, 0.0005758400000000, 0.0006447100000000 ] - [ 0.0022112600000000, -0.0014381100000000, 0.0037559600000000 ] - [ -0.0000944100000000, -0.0000798800000000, -0.0002328300000000 ] - [ -0.0000916100000000, -0.0000357200000000, -0.0000092800000000 ] - [ 0.0109473600000000, -0.0191517900000000, -0.0030737500000000 ] - [ 0.0003198400000000, 0.0004262300000000, -0.0003188900000000 ] - [ -0.0001136900000000, 0.0000260500000000, -0.0000513100000000 ] - [ 0.0000193000000000, 0.0011829800000000, 0.0000804300000000 ] - [ -0.0000858500000000, 0.0001176100000000, -0.0001382100000000 ] - [ -0.0053991100000000, 0.0081955200000000, 0.0032030800000000 ] - [ 0.0000999700000000, 0.0000981400000000, 0.0002241500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000208700000000, -0.0000903900000000, 0.0031754400000000 ] - [ 0.0000612700000000, 0.0008894700000000, 0.0001829600000000 ] - [ -0.0036482500000000, -0.0024948000000000, -0.0041290400000000 ] - [ 0.0000573400000000, -0.0000754600000000, 0.0033294900000000 ] - [ -0.0000945200000000, 0.0001272200000000, 0.0033903400000000 ] - [ -0.0032159600000000, -0.0050077200000000, 0.0103670500000000 ] - [ 0.0000295100000000, 0.0000161600000000, 0.0018601400000000 ] - [ 0.0004276300000000, 0.0006340400000000, 0.0031031300000000 ] - [ -0.0105483400000000, -0.0015327800000000, -0.1878914600000000 ] - [ -0.0002959000000000, -0.0001578600000000, 0.0018765600000000 ] - [ 0.0012284000000000, 0.0001501200000000, 0.0016480500000000 ] - [ 0.0003085300000000, -0.0002027700000000, 0.0018183400000000 ] - [ -0.0000037900000000, -0.0000125200000000, 0.0028505100000000 ] - [ 0.0062373900000000, 0.0088084100000000, 0.0148566200000000 ] - [ -0.0003751300000000, 0.0000210600000000, 0.0021445700000000 ] - [ 0.0001942500000000, 0.0003003700000000, 0.0021419600000000 ] - [ -0.0000371300000000, -0.0005833200000000, -0.0118854800000000 ] - [ 0.0000121500000000, -0.0000662000000000, 0.0020425800000000 ] - [ -0.0084396200000000, 0.0010396700000000, -0.0277754500000000 ] - [ -0.0105484500000000, 0.0146154200000000, 0.0009496900000000 ] - [ 0.0003422800000000, -0.0004264400000000, 0.0026883900000000 ] - [ -0.0006575100000000, 0.0012154400000000, 0.0018487700000000 ] - [ -0.0002617600000000, 0.0001879400000000, 0.0024424400000000 ] - [ 0.0001304200000000, 0.0004221500000000, -0.0112593900000000 ] - [ -0.0006362900000000, 0.0010165600000000, -0.0016471200000000 ] - [ -0.0000274800000000, -0.0000472600000000, 0.0022173900000000 ] - [ 0.0000054800000000, 0.0000090400000000, 0.0023820600000000 ] - [ -0.0002386900000000, 0.0000443800000000, 0.0019784900000000 ] - [ -0.0110436300000000, -0.0240306300000000, 0.0236307100000000 ] - [ 0.0004022100000000, 0.0007288800000000, 0.0013684100000000 ] - [ -0.0000083500000000, -0.0000076100000000, 0.0021390500000000 ] - [ 0.0010130500000000, 0.0002858800000000, -0.0024350300000000 ] - [ 0.0005076800000000, -0.0007406200000000, 0.0012699800000000 ] - [ 0.0032312800000000, -0.0079268500000000, -0.0274191100000000 ] - [ 0.0000641400000000, -0.0000005700000000, 0.0022297300000000 ] - [ 0.0005849300000000, 0.0002097800000000, 0.0036208900000000 ] - [ -0.0000311800000000, 0.0000556600000000, 0.0022038300000000 ] - [ -0.0025762200000000, 0.0001806100000000, 0.0048411800000000 ] - [ -0.0000042700000000, 0.0000100700000000, 0.0020422600000000 ] - [ 0.0002053600000000, -0.0003134900000000, 0.0021687900000000 ] - [ 0.0000341200000000, -0.0012813100000000, -0.0021571600000000 ] - [ -0.0003675100000000, -0.0000212500000000, 0.0021405500000000 ] - [ 0.0003432300000000, 0.0000320800000000, 0.0023624100000000 ] - [ 0.0143668000000000, -0.0024818000000000, 0.0007435700000000 ] - [ 0.0001656900000000, -0.0003289300000000, 0.0021410100000000 ] - [ 0.0001540600000000, 0.0001066000000000, 0.0019881300000000 ] - [ -0.0081125500000000, -0.0009186100000000, -0.0274199300000000 ] - [ -0.0000169900000000, 0.0003532600000000, 0.0029094900000000 ] - [ -0.0014041400000000, 0.0002613500000000, 0.0015122700000000 ] - [ -0.0000066400000000, -0.0000069100000000, 0.0022750800000000 ] - [ 0.0141385900000000, -0.0064282900000000, 0.0038257800000000 ] - [ -0.0107982300000000, 0.0125583500000000, 0.0037537500000000 ] - [ -0.0003114400000000, 0.0001024800000000, 0.0010801800000000 ] - [ 0.0007437700000000, 0.0005290900000000, -0.0014820900000000 ] - [ 0.0006106200000000, 0.0010328500000000, -0.0022416500000000 ] - [ 0.0003354300000000, -0.0024133800000000, -0.0011809400000000 ] - [ -0.0007048100000000, -0.0017885700000000, 0.0019693900000000 ] - [ 0.0000401300000000, 0.0000256100000000, 0.0020464400000000 ] - [ 0.0004497800000000, -0.0002072800000000, 0.0025514600000000 ] - [ 0.0001728200000000, 0.0003336600000000, 0.0021488300000000 ] - [ 0.0022112600000000, -0.0024313500000000, 0.0041134700000000 ] - [ -0.0000348900000000, 0.0000456100000000, 0.0021147000000000 ] - [ 0.0000573600000000, -0.0001614800000000, 0.0019360500000000 ] - [ -0.0005799900000000, 0.0003048300000000, 0.0028185900000000 ] - [ -0.0001991800000000, 0.0014174700000000, -0.0017022100000000 ] - [ -0.0000600500000000, 0.0000628800000000, 0.0025403500000000 ] - [ -0.0005571900000000, -0.0003078000000000, 0.0026877300000000 ] - [ 0.0148705800000000, 0.0066011000000000, 0.0061914900000000 ] - [ 0.0002599300000000, 0.0009245900000000, 0.0011464900000000 ] - [ 0.0001788000000000, 0.0002793500000000, 0.0015009400000000 ] - [ -0.0000108900000000, -0.0002053400000000, 0.0024076000000000 ] - [ -0.0001770700000000, -0.0000592900000000, -0.0018183300000000 ] - [ -0.0000042300000000, 0.0001369600000000, -0.0002037000000000 ] - [ 0.0017332200000000, 0.0018617300000000, 0.0080162000000000 ] - [ -0.0000435000000000, 0.0002054900000000, -0.0017202600000000 ] - [ -0.0001963500000000, -0.0001407300000000, -0.0015265400000000 ] - [ 0.0005591900000000, 0.0028882900000000, -0.0017662100000000 ] - [ 0.0023687000000000, 0.0028321500000000, 0.0054442300000000 ] - [ 0.0000101500000000, -0.0000249700000000, -0.0016283600000000 ] - [ -0.0020076600000000, 0.0014621200000000, -0.0029170900000000 ] - [ 0.0013073600000000, -0.0022131700000000, -0.0034167200000000 ] - [ 0.0000575100000000, -0.0002291800000000, -0.0016522000000000 ] - [ 0.0009674500000000, -0.0036043300000000, 0.0045793500000000 ] - [ 0.0000353800000000, 0.0001816400000000, -0.0018264800000000 ] - [ 0.0000568700000000, -0.0006236300000000, -0.0021203400000000 ] - [ -0.0019577200000000, 0.0024316800000000, 0.0039569700000000 ] - [ -0.0009120600000000, -0.0003034700000000, -0.0020168400000000 ] - [ -0.0005660900000000, 0.0030653100000000, 0.0049737600000000 ] - [ 0.0002607300000000, -0.0000695200000000, -0.0018526900000000 ] - [ -0.0000827300000000, 0.0000713100000000, -0.0012058000000000 ] - [ 0.0020035500000000, -0.0021555500000000, -0.0036760000000000 ] - [ -0.0003108400000000, -0.0000700000000000, -0.0017869500000000 ] - [ -0.0000284700000000, -0.0000042500000000, -0.0013903600000000 ] - [ -0.0031123400000000, -0.0006723900000000, 0.0061319200000000 ] - [ 0.0040470400000000, -0.0030248000000000, 0.0040883800000000 ] - [ -0.0001266500000000, 0.0030664100000000, 0.0059193400000000 ] - [ -0.0084546700000000, -0.0016471300000000, 0.0294607000000000 ] - [ -0.0000964200000000, 0.0005820100000000, -0.0004984500000000 ] - [ -0.0000507400000000, -0.0000752400000000, -0.0016347900000000 ] - [ -0.0000265000000000, 0.0000064800000000, -0.0016237700000000 ] - [ 0.0004873700000000, -0.0000264300000000, 0.0002281500000000 ] - [ -0.0000051500000000, -0.0000936200000000, -0.0000240300000000 ] - [ -0.0002642000000000, 0.0005223600000000, -0.0016733900000000 ] - [ 0.0000204300000000, -0.0000426200000000, -0.0016218600000000 ] - [ -0.0000900200000000, 0.0003653200000000, -0.0015738200000000 ] - [ 0.0000214200000000, 0.0000352900000000, -0.0016060000000000 ] - [ -0.0000401800000000, 0.0000907500000000, -0.0021654600000000 ] - [ -0.0008855000000000, 0.0051677800000000, 0.0206113600000000 ] - [ -0.0002595800000000, 0.0010590500000000, -0.0079230700000000 ] - [ 0.0002604100000000, -0.0001803500000000, -0.0017105000000000 ] - [ 0.0004896400000000, 0.0009012100000000, -0.0022485600000000 ] - [ 0.0004589500000000, -0.0001718700000000, -0.0021858400000000 ] - [ 0.0000160700000000, -0.0000356100000000, -0.0013783800000000 ] - [ -0.0035129300000000, 0.0027610200000000, 0.0050456700000000 ] - [ -0.0002473700000000, -0.0005387200000000, -0.0017273100000000 ] - [ 0.0000312300000000, 0.0000489900000000, -0.0018354400000000 ] - [ -0.0062464000000000, 0.0000865800000000, 0.0012806000000000 ] - [ -0.0000733100000000, -0.0001003000000000, -0.0025209200000000 ] - [ -0.0006035800000000, -0.0001678100000000, -0.0009674200000000 ] - [ -0.0031113700000000, -0.0022807400000000, 0.0008675700000000 ] - [ 0.0002358900000000, 0.0006220100000000, -0.0011917400000000 ] - [ -0.0000654600000000, -0.0002610700000000, -0.0010849600000000 ] - [ 0.0004310900000000, -0.0001850300000000, -0.0015052300000000 ] - [ -0.0025565200000000, -0.0010625400000000, 0.0045751600000000 ] - [ 0.0000208800000000, 0.0000229500000000, -0.0023314200000000 ] - [ 0.0001411000000000, -0.0026758200000000, 0.0035145100000000 ] - [ 0.0003111500000000, -0.0002407400000000, -0.0012907600000000 ] - [ 0.0017422900000000, 0.0027232800000000, -0.0029003200000000 ] - [ 0.0032360200000000, -0.0021399300000000, 0.0009666200000000 ] - [ -0.0002587900000000, 0.0004583700000000, -0.0017745000000000 ] - [ 0.0000088700000000, 0.0000352300000000, -0.0013953000000000 ] - [ 0.0158871900000000, 0.0226820300000000, 0.0408921200000000 ] - [ -0.0025564500000000, -0.0006477300000000, -0.0011931400000000 ] - [ -0.0002774900000000, -0.0000227700000000, -0.0016743700000000 ] - [ 0.0000771000000000, -0.0005143000000000, -0.0008936000000000 ] - [ -0.0002170600000000, -0.0003086400000000, -0.0001539900000000 ] - [ -0.0022242600000000, 0.0005663000000000, -0.0022115900000000 ] - [ 0.0001552400000000, 0.0000052300000000, -0.0013600400000000 ] - [ 0.0000893900000000, -0.0000092100000000, -0.0016511400000000 ] - [ 0.0018303100000000, 0.0041058800000000, 0.0071159100000000 ] - [ -0.0000380200000000, -0.0000182700000000, -0.0016503500000000 ] - [ 0.0002615300000000, 0.0001384500000000, -0.0018996300000000 ] - [ -0.0003190200000000, 0.0005221000000000, -0.0012510600000000 ] - [ 0.0005121800000000, 0.0000022600000000, -0.0017924800000000 ] - [ 0.0001556700000000, -0.0001187300000000, -0.0018038000000000 ] - [ 0.0004882700000000, 0.0001898800000000, 0.0286219200000000 ] - [ 0.0000498100000000, 0.0002918600000000, -0.0016962000000000 ] - [ 0.0005313200000000, -0.0028186700000000, -0.0013975100000000 ] - [ 0.0008346800000000, -0.0038853000000000, 0.0077731000000000 ] - [ -0.0000769000000000, 0.0001294500000000, -0.0013319700000000 ] - [ 0.0000191500000000, 0.0000244700000000, -0.0016497400000000 ] - [ -0.0002515900000000, -0.0004387700000000, -0.0017965000000000 ] - [ -0.0006953900000000, -0.0001946700000000, -0.0011546700000000 ] - [ 0.0007095500000000, -0.0000849100000000, -0.0008398800000000 ] - [ -0.0000381000000000, 0.0000809600000000, -0.0016385900000000 ] - [ 0.0001191400000000, -0.0000109400000000, 0.0000866800000000 ] - [ -0.0000811000000000, -0.0001377300000000, -0.0013324500000000 ] - [ -0.0000465700000000, -0.0000850200000000, 0.0006108500000000 ] - [ 0.0001617100000000, 0.0001193000000000, -0.0018478700000000 ] - [ 0.0132257000000000, -0.0183300100000000, 0.0402462200000000 ] - [ 0.0000189900000000, -0.0002122200000000, -0.0018270200000000 ] - [ 0.0001163000000000, 0.0002346900000000, -0.0021413800000000 ] - [ -0.0001468900000000, -0.0001089600000000, -0.0017551600000000 ] - [ 0.0004837500000000, -0.0004770600000000, -0.0012938200000000 ] - [ -0.0017458800000000, -0.0013307700000000, -0.0043119000000000 ] - [ -0.0001896000000000, 0.0000805800000000, -0.0018407900000000 ] - [ 0.0000368700000000, 0.0000418100000000, -0.0023194800000000 ] - [ -0.0013888200000000, 0.0028119300000000, 0.0257013800000000 ] - [ 0.0000530400000000, 0.0003481900000000, -0.0010622100000000 ] - [ -0.0000461600000000, 0.0000016300000000, -0.0016077200000000 ] - [ 0.0000628000000000, -0.0000681100000000, 0.0004921600000000 ] - [ 0.0001858000000000, 0.0001848900000000, -0.0016479600000000 ] - [ 0.0013743600000000, -0.0045468700000000, 0.0074965000000000 ] - [ -0.0003862500000000, -0.0000030500000000, -0.0008406400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000372800000000, -0.0000099800000000, -0.0031757500000000 ] - [ -0.0000615500000000, -0.0008930600000000, -0.0001733700000000 ] - [ 0.0036511800000000, 0.0024973700000000, 0.0045208300000000 ] - [ -0.0001722700000000, 0.0000752800000000, -0.0033286500000000 ] - [ 0.0001527100000000, -0.0000240900000000, -0.0033894700000000 ] - [ 0.0032509900000000, 0.0050651900000000, -0.0104478300000000 ] - [ -0.0000296100000000, -0.0000162600000000, -0.0022634200000000 ] - [ -0.0004314400000000, -0.0006307300000000, -0.0027617300000000 ] - [ 0.0115145600000000, 0.0020538900000000, 0.1867748300000000 ] - [ 0.0002927200000000, 0.0001543200000000, -0.0027225000000000 ] - [ -0.0010742800000000, 0.0000480500000000, -0.0015723900000000 ] - [ -0.0003257900000000, 0.0002462300000000, -0.0013862400000000 ] - [ 0.0000019400000000, 0.0000093200000000, -0.0020055900000000 ] - [ -0.0061467600000000, -0.0086659600000000, -0.0141638600000000 ] - [ 0.0001266800000000, -0.0000467600000000, -0.0022239200000000 ] - [ -0.0000988100000000, -0.0000740200000000, -0.0022226400000000 ] - [ -0.0001626700000000, 0.0010678200000000, 0.0116811200000000 ] - [ 0.0000562500000000, -0.0000503200000000, -0.0026683100000000 ] - [ 0.0081089800000000, -0.0013463300000000, 0.0275543500000000 ] - [ 0.0105664000000000, -0.0144688500000000, -0.0003035700000000 ] - [ 0.0001770300000000, 0.0004951900000000, -0.0024910500000000 ] - [ 0.0003761200000000, -0.0016917800000000, -0.0019514800000000 ] - [ 0.0000597900000000, 0.0002963000000000, -0.0022436100000000 ] - [ 0.0003885500000000, -0.0004903900000000, 0.0110553400000000 ] - [ 0.0007075200000000, -0.0008948200000000, 0.0022632400000000 ] - [ -0.0002509700000000, -0.0004348400000000, -0.0021191700000000 ] - [ -0.0000122800000000, -0.0000110700000000, -0.0027185000000000 ] - [ 0.0000795400000000, -0.0000501700000000, -0.0026316300000000 ] - [ 0.0107531200000000, 0.0237182600000000, -0.0227579000000000 ] - [ -0.0006400100000000, -0.0007046200000000, -0.0012928300000000 ] - [ 0.0000095700000000, 0.0000117100000000, -0.0027639800000000 ] - [ -0.0009472600000000, -0.0004395200000000, 0.0030801800000000 ] - [ -0.0003673200000000, 0.0005434000000000, -0.0011943900000000 ] - [ -0.0035367600000000, 0.0073900200000000, 0.0272216900000000 ] - [ 0.0004942600000000, -0.0000002600000000, -0.0021293200000000 ] - [ -0.0005450300000000, -0.0002014800000000, -0.0032032200000000 ] - [ -0.0002484900000000, 0.0004275500000000, -0.0021035100000000 ] - [ 0.0026463200000000, -0.0004063400000000, -0.0047475000000000 ] - [ 0.0000071200000000, -0.0000069700000000, -0.0026666400000000 ] - [ -0.0001036000000000, 0.0000855100000000, -0.0022481300000000 ] - [ -0.0000677900000000, 0.0013208700000000, 0.0017383400000000 ] - [ 0.0001287000000000, 0.0000433500000000, -0.0022201700000000 ] - [ 0.0001775700000000, -0.0001031000000000, -0.0021629700000000 ] - [ -0.0145046300000000, 0.0024352500000000, -0.0001024500000000 ] - [ -0.0000271800000000, 0.0001330500000000, -0.0022205800000000 ] - [ -0.0000762700000000, 0.0000290800000000, -0.0026394200000000 ] - [ 0.0086271700000000, 0.0008767600000000, 0.0272207600000000 ] - [ -0.0003048800000000, 0.0000621100000000, -0.0027129300000000 ] - [ 0.0011523600000000, -0.0002867000000000, -0.0014364800000000 ] - [ 0.0000083600000000, -0.0000000500000000, -0.0026124400000000 ] - [ -0.0140753000000000, 0.0066479700000000, -0.0032378500000000 ] - [ 0.0106868100000000, -0.0125726000000000, -0.0031672400000000 ] - [ 0.0004089100000000, -0.0002679100000000, -0.0016431800000000 ] - [ -0.0006748800000000, -0.0006412100000000, 0.0021008800000000 ] - [ -0.0006284900000000, -0.0010660900000000, 0.0018293400000000 ] - [ -0.0003292400000000, 0.0024220300000000, 0.0017936900000000 ] - [ 0.0007990400000000, 0.0020061100000000, -0.0018929000000000 ] - [ 0.0000269400000000, 0.0000909900000000, -0.0026720700000000 ] - [ -0.0003573100000000, 0.0003740900000000, -0.0031166700000000 ] - [ -0.0000243400000000, -0.0001377500000000, -0.0022295500000000 ] - [ -0.0016347200000000, 0.0024020200000000, -0.0041998300000000 ] - [ -0.0001002400000000, -0.0000450100000000, -0.0027408100000000 ] - [ 0.0000177900000000, 0.0000206100000000, -0.0025892800000000 ] - [ 0.0003919800000000, -0.0003055200000000, -0.0033893300000000 ] - [ 0.0003018700000000, -0.0015678200000000, 0.0022803700000000 ] - [ -0.0002595100000000, -0.0004819300000000, -0.0023438800000000 ] - [ 0.0003578500000000, -0.0001780700000000, -0.0024917200000000 ] - [ -0.0148966100000000, -0.0066736600000000, -0.0065861200000000 ] - [ -0.0005389100000000, -0.0004412900000000, -0.0012514000000000 ] - [ -0.0002012000000000, -0.0003160700000000, -0.0010718500000000 ] - [ 0.0000126300000000, 0.0001969000000000, -0.0020715600000000 ] - [ -0.0000381700000000, 0.0001718500000000, 0.0014064500000000 ] - [ 0.0000668200000000, -0.0002449100000000, -0.0006589500000000 ] - [ -0.0015797400000000, -0.0020474500000000, -0.0078878200000000 ] - [ -0.0001043300000000, 0.0000503700000000, 0.0014552700000000 ] - [ 0.0001784100000000, 0.0001081300000000, 0.0009864800000000 ] - [ -0.0004686500000000, -0.0030647600000000, 0.0018498600000000 ] - [ -0.0023779800000000, -0.0027943200000000, -0.0049003200000000 ] - [ 0.0000996400000000, -0.0001541400000000, 0.0015603300000000 ] - [ 0.0022268900000000, -0.0010934200000000, 0.0029019400000000 ] - [ -0.0017708400000000, 0.0022145800000000, 0.0034173500000000 ] - [ 0.0000573200000000, 0.0002258400000000, 0.0012820500000000 ] - [ -0.0008906000000000, 0.0033576800000000, -0.0044497000000000 ] - [ 0.0001639400000000, -0.0000444600000000, 0.0014085200000000 ] - [ -0.0000339800000000, 0.0008565700000000, 0.0025322400000000 ] - [ 0.0019063600000000, -0.0023329200000000, -0.0035849100000000 ] - [ 0.0006888900000000, 0.0001952800000000, 0.0024272600000000 ] - [ 0.0005510500000000, -0.0030788400000000, -0.0044320000000000 ] - [ 0.0000342000000000, 0.0000702000000000, 0.0015881400000000 ] - [ 0.0007789000000000, -0.0000658600000000, 0.0015736100000000 ] - [ -0.0019317500000000, 0.0022654400000000, 0.0028197100000000 ] - [ 0.0002509000000000, 0.0001677900000000, 0.0014175500000000 ] - [ -0.0000991000000000, 0.0000017600000000, 0.0022587200000000 ] - [ 0.0030580400000000, 0.0005689200000000, -0.0057593600000000 ] - [ -0.0039317400000000, 0.0030219900000000, -0.0037148600000000 ] - [ 0.0001278900000000, -0.0030687400000000, -0.0062379300000000 ] - [ 0.0070573500000000, 0.0017394100000000, -0.0279664100000000 ] - [ -0.0002257800000000, -0.0000141500000000, 0.0004887100000000 ] - [ 0.0000809000000000, 0.0001273300000000, 0.0017192300000000 ] - [ -0.0001858700000000, -0.0000114500000000, 0.0015557900000000 ] - [ -0.0002686000000000, -0.0003654500000000, -0.0002351300000000 ] - [ 0.0000345300000000, 0.0001441500000000, -0.0000541600000000 ] - [ 0.0004256100000000, -0.0003436800000000, 0.0015414400000000 ] - [ 0.0000814800000000, -0.0001436200000000, 0.0015539000000000 ] - [ 0.0000719000000000, -0.0003358500000000, 0.0010319900000000 ] - [ 0.0000874200000000, 0.0001415000000000, 0.0015364900000000 ] - [ -0.0001919100000000, -0.0001385700000000, 0.0020390300000000 ] - [ 0.0015179700000000, -0.0057627600000000, -0.0197322800000000 ] - [ 0.0003604000000000, -0.0008641400000000, 0.0079396900000000 ] - [ -0.0003092500000000, 0.0000797400000000, 0.0013416700000000 ] - [ -0.0002246600000000, -0.0008916300000000, 0.0022539400000000 ] - [ -0.0004251800000000, 0.0001721000000000, 0.0016477200000000 ] - [ 0.0000453800000000, -0.0000761100000000, 0.0022468600000000 ] - [ 0.0036611000000000, -0.0025800400000000, -0.0049142900000000 ] - [ 0.0000162900000000, 0.0005888300000000, 0.0015963100000000 ] - [ -0.0000318200000000, -0.0000473100000000, 0.0021565400000000 ] - [ 0.0058480600000000, -0.0007856400000000, -0.0016088000000000 ] - [ 0.0000721700000000, 0.0000985500000000, 0.0025195100000000 ] - [ 0.0001966200000000, 0.0008639600000000, 0.0012841000000000 ] - [ 0.0026852900000000, 0.0029664600000000, -0.0011940900000000 ] - [ -0.0005785600000000, -0.0000141300000000, 0.0015595700000000 ] - [ 0.0002697300000000, 0.0001296800000000, 0.0014997900000000 ] - [ -0.0007755200000000, -0.0004169300000000, 0.0018681200000000 ] - [ 0.0024179400000000, 0.0013205400000000, -0.0043077700000000 ] - [ -0.0000213400000000, -0.0000237400000000, 0.0023316800000000 ] - [ -0.0000280900000000, 0.0026906900000000, -0.0031418500000000 ] - [ -0.0002383100000000, 0.0000174200000000, 0.0011610300000000 ] - [ -0.0017848200000000, -0.0027207000000000, 0.0028245100000000 ] - [ -0.0024189900000000, 0.0021211900000000, -0.0012876200000000 ] - [ -0.0000853000000000, 0.0001480600000000, 0.0014076500000000 ] - [ 0.0000515200000000, 0.0000691300000000, 0.0022631800000000 ] - [ -0.0164409900000000, -0.0238193300000000, -0.0407905400000000 ] - [ 0.0023428900000000, 0.0006315400000000, 0.0012740200000000 ] - [ 0.0002146300000000, -0.0000690700000000, 0.0013055700000000 ] - [ -0.0002083800000000, 0.0002853900000000, 0.0009086500000000 ] - [ -0.0001037900000000, -0.0002459200000000, 0.0001447100000000 ] - [ 0.0020937800000000, -0.0005589500000000, 0.0013523900000000 ] - [ 0.0001029000000000, -0.0000067600000000, 0.0013471800000000 ] - [ -0.0001462700000000, 0.0000103000000000, 0.0017346000000000 ] - [ -0.0018873600000000, -0.0041822100000000, -0.0067405600000000 ] - [ 0.0000397800000000, 0.0000187900000000, 0.0019704500000000 ] - [ -0.0001053200000000, -0.0003162000000000, 0.0017707500000000 ] - [ 0.0001024500000000, -0.0004068500000000, 0.0016652300000000 ] - [ 0.0001849700000000, 0.0000029300000000, 0.0014255600000000 ] - [ -0.0001411900000000, -0.0001217600000000, 0.0013883800000000 ] - [ -0.0000708300000000, 0.0004479900000000, -0.0283482800000000 ] - [ 0.0000665400000000, -0.0002889300000000, 0.0013247200000000 ] - [ -0.0004302900000000, 0.0026303600000000, 0.0014742500000000 ] - [ -0.0009813600000000, 0.0036179900000000, -0.0075011300000000 ] - [ -0.0000535900000000, 0.0000931300000000, 0.0013192300000000 ] - [ 0.0000795100000000, 0.0001583300000000, 0.0015804700000000 ] - [ -0.0000955500000000, -0.0001625300000000, 0.0014315800000000 ] - [ 0.0002942000000000, -0.0005063600000000, 0.0014721500000000 ] - [ 0.0000946800000000, 0.0000770100000000, 0.0011549800000000 ] - [ 0.0000674800000000, -0.0001298600000000, 0.0017220500000000 ] - [ -0.0000916800000000, -0.0000376100000000, -0.0001652700000000 ] - [ -0.0000495000000000, -0.0000885700000000, 0.0013212700000000 ] - [ -0.0001625000000000, 0.0000877200000000, -0.0005383400000000 ] - [ -0.0001422400000000, 0.0001218900000000, 0.0014299500000000 ] - [ -0.0137865800000000, 0.0198145500000000, -0.0408281200000000 ] - [ 0.0001858800000000, 0.0000818000000000, 0.0014151100000000 ] - [ -0.0000402000000000, -0.0000068500000000, 0.0020121600000000 ] - [ -0.0000003600000000, -0.0001470500000000, 0.0014903300000000 ] - [ -0.0002848600000000, 0.0006133700000000, 0.0017128100000000 ] - [ 0.0024142500000000, 0.0013511300000000, 0.0043122600000000 ] - [ -0.0000261400000000, -0.0001881100000000, 0.0014251700000000 ] - [ -0.0000377600000000, -0.0000435800000000, 0.0023198200000000 ] - [ 0.0018997600000000, -0.0028947800000000, -0.0260834800000000 ] - [ -0.0000382000000000, -0.0005861700000000, 0.0014804700000000 ] - [ -0.0001634500000000, 0.0000038400000000, 0.0015395100000000 ] - [ 0.0000460600000000, 0.0002446100000000, -0.0004179000000000 ] - [ -0.0002409600000000, -0.0000827200000000, 0.0012760000000000 ] - [ -0.0016057200000000, 0.0045980900000000, -0.0073703100000000 ] - [ 0.0002551300000000, 0.0002267200000000, 0.0008562700000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009225400000000, -0.0063223700000000, 0.0067545400000000 ] - [ 0.0000230800000000, 0.0000062100000000, -0.0000011600000000 ] - [ -0.0028029900000000, 0.0000000000000000, 0.0002057600000000 ] - [ 0.0116628500000000, 0.0000000000000000, -0.0134533700000000 ] - [ 0.0009225400000000, 0.0063223700000000, 0.0067545400000000 ] - [ 0.0000230800000000, -0.0000062100000000, -0.0000011600000000 ] - [ -0.0000625100000000, 0.0000000000000000, -0.0002031900000000 ] - [ 0.0029999300000000, -0.0025349800000000, 0.0001713100000000 ] - [ 0.0005020200000000, 0.0001405200000000, -0.0003948600000000 ] - [ -0.2759937300000000, 0.0000000000000000, 0.0023083000000000 ] - [ 0.0144426500000000, -0.0202839200000000, 0.0167612100000000 ] - [ -0.0000198700000000, 0.0000169800000000, 0.0002195600000000 ] - [ 0.0004474500000000, 0.0000000000000000, 0.0004181400000000 ] - [ 0.0014441300000000, 0.0002001800000000, 0.0003107000000000 ] - [ -0.0004970800000000, -0.0001530700000000, 0.0001769000000000 ] - [ 0.0000344300000000, 0.0002140300000000, 0.0003841800000000 ] - [ 0.0001035000000000, 0.0006963600000000, 0.0001831600000000 ] - [ -0.0000193300000000, -0.0001309800000000, -0.0003356100000000 ] - [ 0.0005020200000000, -0.0001405200000000, -0.0003948600000000 ] - [ -0.0006039800000000, 0.0009173000000000, -0.0014092400000000 ] - [ 0.0002586400000000, 0.0000318700000000, 0.0001059900000000 ] - [ 0.0022478300000000, 0.0050129700000000, 0.0003646100000000 ] - [ -0.0000933100000000, 0.0002648500000000, 0.0000865600000000 ] - [ 0.0003584800000000, -0.0001717900000000, -0.0000875300000000 ] - [ 0.0003033900000000, 0.0018251000000000, 0.0016998000000000 ] - [ -0.0000137000000000, 0.0002289800000000, 0.0003688800000000 ] - [ 0.0007516300000000, -0.0009281400000000, -0.0001648800000000 ] - [ -0.0000473600000000, 0.0000000000000000, -0.0004852200000000 ] - [ 0.0032638300000000, 0.0000000000000000, -0.0024734500000000 ] - [ -0.0124124000000000, -0.0044423400000000, -0.0048011300000000 ] - [ 0.0001147400000000, -0.0001017000000000, -0.0003130900000000 ] - [ -0.0006039800000000, -0.0009173000000000, -0.0014092400000000 ] - [ 0.0144426500000000, 0.0202839200000000, 0.0167612100000000 ] - [ 0.0001035000000000, -0.0006963600000000, 0.0001831600000000 ] - [ 0.0012194800000000, 0.0000000000000000, -0.0005885200000000 ] - [ 0.0000160800000000, 0.0000000000000000, 0.0001970900000000 ] - [ -0.0000137000000000, -0.0002289800000000, 0.0003688800000000 ] - [ 0.0148671100000000, 0.0106748100000000, -0.0119253400000000 ] - [ 0.0001147400000000, 0.0001017000000000, -0.0003130900000000 ] - [ 0.0000344300000000, -0.0002140300000000, 0.0003841800000000 ] - [ -0.0001012100000000, 0.0000165900000000, -0.0001486900000000 ] - [ -0.0004970800000000, 0.0001530700000000, 0.0001769000000000 ] - [ 0.0002586400000000, -0.0000318700000000, 0.0001059900000000 ] - [ 0.0007463100000000, 0.0000000000000000, 0.0038037500000000 ] - [ -0.0003248400000000, 0.0002024100000000, -0.0006870800000000 ] - [ 0.0000361000000000, 0.0000886900000000, -0.0002488800000000 ] - [ 0.0003584800000000, 0.0001717900000000, -0.0000875300000000 ] - [ -0.0001407200000000, 0.0002034400000000, 0.0001005300000000 ] - [ -0.0124124000000000, 0.0044423400000000, -0.0048011300000000 ] - [ 0.0007516300000000, 0.0009281400000000, -0.0001648800000000 ] - [ -0.0000201000000000, 0.0001499000000000, 0.0002236200000000 ] - [ -0.0000464400000000, 0.0000000000000000, 0.0004001500000000 ] - [ 0.0000465100000000, -0.0000848800000000, -0.0002890800000000 ] - [ 0.0003033900000000, -0.0018251000000000, 0.0016998000000000 ] - [ -0.0001012100000000, -0.0000165900000000, -0.0001486900000000 ] - [ 0.0014441300000000, -0.0002001800000000, 0.0003107000000000 ] - [ 0.0148671100000000, -0.0106748100000000, -0.0119253400000000 ] - [ -0.0000193300000000, 0.0001309800000000, -0.0003356100000000 ] - [ 0.0000465100000000, 0.0000848800000000, -0.0002890800000000 ] - [ -0.0003248400000000, -0.0002024100000000, -0.0006870800000000 ] - [ 0.0118341300000000, 0.0000000000000000, -0.0009104400000000 ] - [ 0.0000037500000000, 0.0000000000000000, -0.0002714300000000 ] - [ 0.0000361000000000, -0.0000886900000000, -0.0002488800000000 ] - [ -0.0000927800000000, 0.0000000000000000, -0.0002751000000000 ] - [ -0.0000201000000000, -0.0001499000000000, 0.0002236200000000 ] - [ -0.0001407200000000, -0.0002034400000000, 0.0001005300000000 ] - [ -0.0000933100000000, -0.0002648500000000, 0.0000865600000000 ] - [ -0.0000650300000000, 0.0000000000000000, -0.0003446300000000 ] - [ 0.0022478300000000, -0.0050129700000000, 0.0003646100000000 ] - [ -0.0000198700000000, -0.0000169800000000, 0.0002195600000000 ] - [ 0.0029999300000000, 0.0025349800000000, 0.0001713100000000 ] - [ -0.0006322200000000, -0.0009072800000000, 0.0010818500000000 ] - [ -0.0009198400000000, 0.0032465900000000, 0.0035868600000000 ] - [ 0.0000928500000000, -0.0000961200000000, 0.0000406300000000 ] - [ -0.0000627500000000, 0.0001535400000000, -0.0001377200000000 ] - [ -0.0000041700000000, -0.0000228600000000, -0.0002703800000000 ] - [ -0.0034463000000000, 0.0012415900000000, 0.0013904800000000 ] - [ 0.0000558100000000, 0.0001551100000000, 0.0001970900000000 ] - [ 0.0001152500000000, -0.0002127000000000, -0.0001251500000000 ] - [ 0.0001179500000000, 0.0001801900000000, 0.0000154500000000 ] - [ -0.0002341200000000, 0.0000000000000000, -0.0000273800000000 ] - [ 0.0000761600000000, 0.0000096100000000, -0.0002014000000000 ] - [ -0.0000381100000000, 0.0000226700000000, 0.0002004300000000 ] - [ 0.0003590600000000, -0.0004201200000000, -0.0008556700000000 ] - [ -0.0029700100000000, -0.0030367600000000, 0.0003846200000000 ] - [ 0.0000043700000000, -0.0005537000000000, -0.0008091400000000 ] - [ -0.0087169900000000, 0.0035308100000000, 0.0000573000000000 ] - [ 0.0000558100000000, -0.0001551100000000, 0.0001970900000000 ] - [ 0.0001141500000000, 0.0000000000000000, -0.0001194500000000 ] - [ 0.1219978900000000, 0.0000000000000000, 0.0345453100000000 ] - [ -0.0009198400000000, -0.0032465900000000, 0.0035868600000000 ] - [ -0.0000536900000000, 0.0000503400000000, -0.0002060400000000 ] - [ -0.0000002600000000, 0.0000000000000000, 0.0007345500000000 ] - [ 0.0000043700000000, 0.0005537000000000, -0.0008091400000000 ] - [ 0.0008225200000000, 0.0003500600000000, -0.0001244000000000 ] - [ -0.0003709100000000, 0.0001414500000000, -0.0001582200000000 ] - [ -0.0004594600000000, -0.0004638800000000, 0.0014903600000000 ] - [ -0.0001448100000000, 0.0002838200000000, -0.0000174200000000 ] - [ 0.0001372600000000, -0.0000557400000000, 0.0001185500000000 ] - [ -0.0000974300000000, 0.0001992100000000, 0.0000658700000000 ] - [ 0.0001179500000000, -0.0001801900000000, 0.0000154500000000 ] - [ 0.0050739100000000, -0.0044225700000000, -0.0036446900000000 ] - [ 0.0000811800000000, 0.0000857200000000, -0.0000646100000000 ] - [ -0.0001959800000000, -0.0000877700000000, -0.0000414400000000 ] - [ -0.0000041700000000, 0.0000228600000000, -0.0002703800000000 ] - [ 0.0001152500000000, 0.0002127000000000, -0.0001251500000000 ] - [ -0.0001215100000000, -0.0000198700000000, -0.0000628100000000 ] - [ -0.0010295900000000, 0.0000000000000000, -0.0001971700000000 ] - [ -0.0034463000000000, -0.0012415900000000, 0.0013904800000000 ] - [ -0.0000167500000000, -0.0000190700000000, -0.0001454300000000 ] - [ -0.0112864200000000, 0.0000000000000000, 0.0042159500000000 ] - [ 0.0000070800000000, 0.0000000000000000, -0.0002659000000000 ] - [ 0.0000722000000000, -0.0000688500000000, 0.0002873000000000 ] - [ 0.0000928500000000, 0.0000961200000000, 0.0000406300000000 ] - [ -0.0001215100000000, 0.0000198700000000, -0.0000628100000000 ] - [ -0.0000144800000000, 0.0000052500000000, 0.0001606900000000 ] - [ -0.0001243500000000, -0.0003597800000000, -0.0001296600000000 ] - [ -0.0012244100000000, 0.0011537300000000, -0.0000036300000000 ] - [ -0.0001946000000000, 0.0003504700000000, 0.0001612100000000 ] - [ -0.0001243500000000, 0.0003597800000000, -0.0001296600000000 ] - [ 0.0490394400000000, -0.0447151800000000, -0.0180900200000000 ] - [ 0.0001427100000000, 0.0049966400000000, 0.0001883100000000 ] - [ 0.0490394400000000, 0.0447151800000000, -0.0180900200000000 ] - [ -0.0001428400000000, 0.0007660900000000, 0.0002972700000000 ] - [ -0.0012244100000000, -0.0011537300000000, -0.0000036300000000 ] - [ 0.0008225200000000, -0.0003500600000000, -0.0001244000000000 ] - [ 0.0000325600000000, -0.0001102600000000, -0.0000647500000000 ] - [ -0.0026614400000000, 0.0000000000000000, 0.0071886800000000 ] - [ 0.0004625300000000, 0.0000000000000000, -0.0002160200000000 ] - [ 0.0001379800000000, -0.0004065800000000, -0.0001714400000000 ] - [ 0.0000722000000000, 0.0000688500000000, 0.0002873000000000 ] - [ -0.0001610000000000, 0.0000000000000000, 0.0004156400000000 ] - [ -0.0011826300000000, 0.0017582300000000, -0.0008870100000000 ] - [ -0.0000536900000000, -0.0000503400000000, -0.0002060400000000 ] - [ 0.0022084400000000, -0.0079671600000000, -0.0020650200000000 ] - [ -0.0001448100000000, -0.0002838200000000, -0.0000174200000000 ] - [ -0.0067633800000000, 0.0000000000000000, -0.0085303600000000 ] - [ -0.0003734800000000, 0.0000000000000000, -0.0004292200000000 ] - [ -0.0000436400000000, 0.0000000000000000, -0.0001058300000000 ] - [ -0.0004594600000000, 0.0004638800000000, 0.0014903600000000 ] - [ -0.0000144800000000, -0.0000052500000000, 0.0001606900000000 ] - [ 0.0000811800000000, -0.0000857200000000, -0.0000646100000000 ] - [ -0.0087169900000000, -0.0035308100000000, 0.0000573000000000 ] - [ 0.0018595500000000, 0.0000000000000000, -0.0001805700000000 ] - [ -0.0005329900000000, -0.0001687200000000, -0.0008526600000000 ] - [ -0.0003709100000000, -0.0001414500000000, -0.0001582200000000 ] - [ 0.0000761600000000, -0.0000096100000000, -0.0002014000000000 ] - [ 0.0004432600000000, -0.0019641800000000, -0.0003848100000000 ] - [ -0.0001428400000000, -0.0007660900000000, 0.0002972700000000 ] - [ 0.0001316600000000, 0.0005193900000000, 0.0002054200000000 ] - [ -0.0001959800000000, 0.0000877700000000, -0.0000414400000000 ] - [ 0.0001379800000000, 0.0004065800000000, -0.0001714400000000 ] - [ -0.0001946000000000, -0.0003504700000000, 0.0001612100000000 ] - [ 0.0004081900000000, 0.0000000000000000, 0.0001560600000000 ] - [ 0.0001372600000000, 0.0000557400000000, 0.0001185500000000 ] - [ 0.0050739100000000, 0.0044225700000000, -0.0036446900000000 ] - [ 0.0001316600000000, -0.0005193900000000, 0.0002054200000000 ] - [ -0.0011826300000000, -0.0017582300000000, -0.0008870100000000 ] - [ -0.0005329900000000, 0.0001687200000000, -0.0008526600000000 ] - [ -0.0000381100000000, -0.0000226700000000, 0.0002004300000000 ] - [ 0.0003590600000000, 0.0004201200000000, -0.0008556700000000 ] - [ 0.0000325600000000, 0.0001102600000000, -0.0000647500000000 ] - [ -0.0000627500000000, -0.0001535400000000, -0.0001377200000000 ] - [ 0.0001427100000000, -0.0049966400000000, 0.0001883100000000 ] - [ 0.0003340000000000, 0.0000000000000000, 0.0000363100000000 ] - [ -0.0006322200000000, 0.0009072800000000, 0.0010818500000000 ] - [ 0.0224263400000000, 0.0000000000000000, -0.0005025900000000 ] - [ -0.0002572800000000, -0.0000194500000000, -0.0000440800000000 ] - [ -0.0029700100000000, 0.0030367600000000, 0.0003846200000000 ] - [ -0.0000974300000000, -0.0001992100000000, 0.0000658700000000 ] - [ 0.0004432600000000, 0.0019641800000000, -0.0003848100000000 ] - [ -0.0000167500000000, 0.0000190700000000, -0.0001454300000000 ] - [ -0.0002572800000000, 0.0000194500000000, -0.0000440800000000 ] - [ 0.0022084400000000, 0.0079671600000000, -0.0020650200000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009025600000000, 0.0062108100000000, -0.0067493300000000 ] - [ -0.0000230200000000, -0.0000063900000000, -0.0000011400000000 ] - [ 0.0027994600000000, 0.0000000000000000, 0.0002056900000000 ] - [ -0.0118713800000000, 0.0000000000000000, 0.0135547900000000 ] - [ -0.0009025600000000, -0.0062108100000000, -0.0067493300000000 ] - [ -0.0000230200000000, 0.0000063900000000, -0.0000011400000000 ] - [ 0.0000626700000000, 0.0000000000000000, -0.0002030900000000 ] - [ -0.0029970800000000, 0.0025656900000000, 0.0001709300000000 ] - [ -0.0008222800000000, 0.0002762900000000, 0.0001939700000000 ] - [ 0.2840941000000000, 0.0000000000000000, 0.0023667700000000 ] - [ -0.0143889700000000, 0.0205118500000000, -0.0167779700000000 ] - [ 0.0000012900000000, 0.0000218300000000, 0.0002037700000000 ] - [ -0.0004506300000000, 0.0000000000000000, 0.0004187400000000 ] - [ -0.0014369000000000, -0.0001883900000000, 0.0003107800000000 ] - [ 0.0002564400000000, 0.0001223400000000, -0.0002629600000000 ] - [ 0.0000539700000000, 0.0000111300000000, -0.0004679500000000 ] - [ -0.0003033700000000, -0.0002111400000000, -0.0003813500000000 ] - [ 0.0000877500000000, 0.0000141300000000, -0.0002929100000000 ] - [ -0.0008222800000000, -0.0002762900000000, 0.0001939700000000 ] - [ 0.0006792400000000, -0.0007754500000000, 0.0020693600000000 ] - [ 0.0002618300000000, 0.0000375300000000, 0.0000896100000000 ] - [ -0.0025498400000000, -0.0055136500000000, -0.0004726600000000 ] - [ -0.0001081800000000, 0.0002203600000000, 0.0001083900000000 ] - [ 0.0001612100000000, 0.0001010100000000, -0.0001112400000000 ] - [ -0.0002364400000000, -0.0017084800000000, -0.0010762800000000 ] - [ -0.0002653000000000, -0.0007121200000000, -0.0002716400000000 ] - [ -0.0007565600000000, 0.0009367700000000, -0.0001646300000000 ] - [ -0.0001117500000000, 0.0000000000000000, -0.0001695600000000 ] - [ -0.0033959700000000, 0.0000000000000000, 0.0030784300000000 ] - [ 0.0122273400000000, 0.0045396100000000, 0.0049257500000000 ] - [ -0.0001129700000000, 0.0001033500000000, -0.0003131300000000 ] - [ 0.0006792400000000, 0.0007754500000000, 0.0020693600000000 ] - [ -0.0143889700000000, -0.0205118500000000, -0.0167779700000000 ] - [ -0.0003033700000000, 0.0002111400000000, -0.0003813500000000 ] - [ -0.0006622700000000, 0.0000000000000000, 0.0006932500000000 ] - [ 0.0000282800000000, 0.0000000000000000, 0.0002276600000000 ] - [ -0.0002653000000000, 0.0007121200000000, -0.0002716400000000 ] - [ -0.0147801400000000, -0.0107448200000000, 0.0118867500000000 ] - [ -0.0001129700000000, -0.0001033500000000, -0.0003131300000000 ] - [ 0.0000539700000000, -0.0000111300000000, -0.0004679500000000 ] - [ 0.0000829100000000, 0.0000219400000000, -0.0002782900000000 ] - [ 0.0002564400000000, -0.0001223400000000, -0.0002629600000000 ] - [ 0.0002618300000000, -0.0000375300000000, 0.0000896100000000 ] - [ -0.0009027900000000, 0.0000000000000000, -0.0031533600000000 ] - [ 0.0004759800000000, -0.0003969300000000, 0.0006053600000000 ] - [ 0.0000402500000000, 0.0000493700000000, -0.0004066800000000 ] - [ 0.0001612100000000, -0.0001010100000000, -0.0001112400000000 ] - [ -0.0001802200000000, 0.0002128200000000, 0.0000946500000000 ] - [ 0.0122273400000000, -0.0045396100000000, 0.0049257500000000 ] - [ -0.0007565600000000, -0.0009367700000000, -0.0001646300000000 ] - [ 0.0001152400000000, 0.0000150300000000, 0.0003416200000000 ] - [ -0.0001443200000000, 0.0000000000000000, 0.0001650200000000 ] - [ 0.0000491100000000, -0.0000801000000000, -0.0002800200000000 ] - [ -0.0002364400000000, 0.0017084800000000, -0.0010762800000000 ] - [ 0.0000829100000000, -0.0000219400000000, -0.0002782900000000 ] - [ -0.0014369000000000, 0.0001883900000000, 0.0003107800000000 ] - [ -0.0147801400000000, 0.0107448200000000, 0.0118867500000000 ] - [ 0.0000877500000000, -0.0000141300000000, -0.0002929100000000 ] - [ 0.0000491100000000, 0.0000801000000000, -0.0002800200000000 ] - [ 0.0004759800000000, 0.0003969300000000, 0.0006053600000000 ] - [ -0.0111968300000000, 0.0000000000000000, 0.0007635700000000 ] - [ -0.0001400900000000, 0.0000000000000000, -0.0003563000000000 ] - [ 0.0000402500000000, -0.0000493700000000, -0.0004066800000000 ] - [ -0.0000980600000000, 0.0000000000000000, -0.0002939700000000 ] - [ 0.0001152400000000, -0.0000150300000000, 0.0003416200000000 ] - [ -0.0001802200000000, -0.0002128200000000, 0.0000946500000000 ] - [ -0.0001081800000000, -0.0002203600000000, 0.0001083900000000 ] - [ 0.0001093100000000, 0.0000000000000000, -0.0000843000000000 ] - [ -0.0025498400000000, 0.0055136500000000, -0.0004726600000000 ] - [ 0.0000012900000000, -0.0000218300000000, 0.0002037700000000 ] - [ -0.0029970800000000, -0.0025656900000000, 0.0001709300000000 ] - [ 0.0004160900000000, 0.0010208500000000, -0.0015038300000000 ] - [ 0.0010005800000000, -0.0033701700000000, -0.0044926700000000 ] - [ 0.0000652700000000, -0.0000800300000000, 0.0000909300000000 ] - [ -0.0000847200000000, 0.0001020500000000, -0.0001252000000000 ] - [ -0.0000130900000000, -0.0000067900000000, -0.0002669100000000 ] - [ 0.0035394100000000, -0.0014079900000000, -0.0012960600000000 ] - [ -0.0000720300000000, -0.0001258300000000, 0.0003418100000000 ] - [ -0.0000054600000000, 0.0000333300000000, 0.0000584800000000 ] - [ 0.0001014400000000, 0.0002022500000000, -0.0000133100000000 ] - [ -0.0002130100000000, 0.0000000000000000, 0.0000300800000000 ] - [ 0.0000392400000000, -0.0000123500000000, -0.0001674000000000 ] - [ 0.0001120900000000, -0.0002482100000000, -0.0000695500000000 ] - [ -0.0001580000000000, 0.0005586000000000, 0.0004402800000000 ] - [ 0.0030027400000000, 0.0032604800000000, 0.0000345600000000 ] - [ -0.0000573800000000, 0.0006548300000000, 0.0011778000000000 ] - [ 0.0084820800000000, -0.0036470600000000, 0.0003685500000000 ] - [ -0.0000720300000000, 0.0001258300000000, 0.0003418100000000 ] - [ 0.0001812800000000, 0.0000000000000000, -0.0001442000000000 ] - [ -0.1295068500000000, 0.0000000000000000, -0.0373661300000000 ] - [ 0.0010005800000000, 0.0033701700000000, -0.0044926700000000 ] - [ -0.0000072200000000, 0.0000448700000000, -0.0001616000000000 ] - [ -0.0001299300000000, 0.0000000000000000, 0.0001357500000000 ] - [ -0.0000573800000000, -0.0006548300000000, 0.0011778000000000 ] - [ -0.0007080800000000, -0.0003528400000000, 0.0004949300000000 ] - [ 0.0003704000000000, -0.0001398100000000, -0.0001585200000000 ] - [ 0.0004003600000000, 0.0005549800000000, -0.0011166100000000 ] - [ -0.0001763000000000, 0.0002756000000000, 0.0000184600000000 ] - [ -0.0001087200000000, 0.0001061200000000, -0.0000309900000000 ] - [ -0.0001157800000000, -0.0002053500000000, -0.0001326500000000 ] - [ 0.0001014400000000, -0.0002022500000000, -0.0000133100000000 ] - [ -0.0050660100000000, 0.0044843700000000, 0.0035717400000000 ] - [ 0.0000785300000000, 0.0000909100000000, -0.0000639500000000 ] - [ 0.0002980400000000, -0.0000969100000000, -0.0000272200000000 ] - [ -0.0000130900000000, 0.0000067900000000, -0.0002669100000000 ] - [ -0.0000054600000000, -0.0000333300000000, 0.0000584800000000 ] - [ -0.0001091400000000, -0.0000290500000000, -0.0000650500000000 ] - [ 0.0013219800000000, 0.0000000000000000, 0.0004648300000000 ] - [ 0.0035394100000000, 0.0014079900000000, -0.0012960600000000 ] - [ -0.0000356700000000, -0.0000822600000000, -0.0002233500000000 ] - [ 0.0114301400000000, 0.0000000000000000, -0.0041078700000000 ] - [ 0.0000259500000000, 0.0000000000000000, -0.0002722200000000 ] - [ -0.0000098400000000, -0.0000415000000000, 0.0005860900000000 ] - [ 0.0000652700000000, 0.0000800300000000, 0.0000909300000000 ] - [ -0.0001091400000000, 0.0000290500000000, -0.0000650500000000 ] - [ 0.0000150400000000, -0.0000046600000000, 0.0001609000000000 ] - [ -0.0002824600000000, -0.0003373700000000, -0.0001875300000000 ] - [ 0.0012251500000000, -0.0011643500000000, -0.0000035600000000 ] - [ -0.0002120700000000, 0.0003461900000000, 0.0001581500000000 ] - [ -0.0002824600000000, 0.0003373700000000, -0.0001875300000000 ] - [ -0.0491238700000000, 0.0437397800000000, 0.0178366100000000 ] - [ 0.0000585700000000, -0.0051661100000000, 0.0002280400000000 ] - [ -0.0491238700000000, -0.0437397800000000, 0.0178366100000000 ] - [ -0.0000038500000000, -0.0005114400000000, -0.0000339900000000 ] - [ 0.0012251500000000, 0.0011643500000000, -0.0000035600000000 ] - [ -0.0007080800000000, 0.0003528400000000, 0.0004949300000000 ] - [ 0.0000407200000000, -0.0001162100000000, -0.0000626900000000 ] - [ 0.0026244800000000, 0.0000000000000000, -0.0072432200000000 ] - [ 0.0003432900000000, 0.0000000000000000, -0.0001002800000000 ] - [ -0.0004720900000000, 0.0009985100000000, -0.0001737400000000 ] - [ -0.0000098400000000, 0.0000415000000000, 0.0005860900000000 ] - [ 0.0001976400000000, 0.0000000000000000, 0.0001254400000000 ] - [ 0.0009685000000000, -0.0017682400000000, 0.0009580400000000 ] - [ -0.0000072200000000, -0.0000448700000000, -0.0001616000000000 ] - [ -0.0023521300000000, 0.0077805800000000, 0.0020971200000000 ] - [ -0.0001763000000000, -0.0002756000000000, 0.0000184600000000 ] - [ 0.0066172800000000, 0.0000000000000000, 0.0076296700000000 ] - [ 0.0006365500000000, 0.0000000000000000, 0.0004118400000000 ] - [ -0.0000103400000000, 0.0000000000000000, 0.0001923200000000 ] - [ 0.0004003600000000, -0.0005549800000000, -0.0011166100000000 ] - [ 0.0000150400000000, 0.0000046600000000, 0.0001609000000000 ] - [ 0.0000785300000000, -0.0000909100000000, -0.0000639500000000 ] - [ 0.0084820800000000, 0.0036470600000000, 0.0003685500000000 ] - [ -0.0011837300000000, 0.0000000000000000, -0.0001766500000000 ] - [ 0.0005552200000000, -0.0000709200000000, 0.0004363600000000 ] - [ 0.0003704000000000, 0.0001398100000000, -0.0001585200000000 ] - [ 0.0000392400000000, 0.0000123500000000, -0.0001674000000000 ] - [ -0.0003371400000000, 0.0017842400000000, 0.0004572000000000 ] - [ -0.0000038500000000, 0.0005114400000000, -0.0000339900000000 ] - [ -0.0002657400000000, -0.0002931900000000, -0.0002156200000000 ] - [ 0.0002980400000000, 0.0000969100000000, -0.0000272200000000 ] - [ -0.0004720900000000, -0.0009985100000000, -0.0001737400000000 ] - [ -0.0002120700000000, -0.0003461900000000, 0.0001581500000000 ] - [ 0.0003981600000000, 0.0000000000000000, 0.0001619400000000 ] - [ -0.0001087200000000, -0.0001061200000000, -0.0000309900000000 ] - [ -0.0050660100000000, -0.0044843700000000, 0.0035717400000000 ] - [ -0.0002657400000000, 0.0002931900000000, -0.0002156200000000 ] - [ 0.0009685000000000, 0.0017682400000000, 0.0009580400000000 ] - [ 0.0005552200000000, 0.0000709200000000, 0.0004363600000000 ] - [ 0.0001120900000000, 0.0002482100000000, -0.0000695500000000 ] - [ -0.0001580000000000, -0.0005586000000000, 0.0004402800000000 ] - [ 0.0000407200000000, 0.0001162100000000, -0.0000626900000000 ] - [ -0.0000847200000000, -0.0001020500000000, -0.0001252000000000 ] - [ 0.0000585700000000, 0.0051661100000000, 0.0002280400000000 ] - [ 0.0003175600000000, 0.0000000000000000, -0.0000355000000000 ] - [ 0.0004160900000000, -0.0010208500000000, -0.0015038300000000 ] - [ -0.0224623900000000, 0.0000000000000000, -0.0005026900000000 ] - [ 0.0000246500000000, -0.0000301500000000, 0.0001749700000000 ] - [ 0.0030027400000000, -0.0032604800000000, 0.0000345600000000 ] - [ -0.0001157800000000, 0.0002053500000000, -0.0001326500000000 ] - [ -0.0003371400000000, -0.0017842400000000, 0.0004572000000000 ] - [ -0.0000356700000000, 0.0000822600000000, -0.0002233500000000 ] - [ 0.0000246500000000, 0.0000301500000000, 0.0001749700000000 ] - [ -0.0023521300000000, -0.0077805800000000, 0.0020971200000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0058649700000000, -0.0101584300000000, -0.0086577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059116600000000 ] - [ -0.0117299400000000, 0.0000000000000000, -0.0086577300000000 ] - [ 0.0058649700000000, 0.0101584300000000, -0.0086577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061263500000000 ] - [ -0.0005594900000000, 0.0000854700000000, 0.0021981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2919765800000000 ] - [ 0.0110276600000000, -0.0062488600000000, 0.0006362500000000 ] - [ 0.0000304700000000, -0.0000527800000000, 0.0025051500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0291050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008505000000000 ] - [ -0.0008994000000000, 0.0032074900000000, 0.0027317100000000 ] - [ 0.0032274700000000, -0.0008248400000000, 0.0027317100000000 ] - [ 0.0002057200000000, 0.0005272700000000, 0.0021981800000000 ] - [ -0.0002111500000000, 0.0003657200000000, 0.0020091300000000 ] - [ -0.0005594900000000, -0.0000854700000000, 0.0021981800000000 ] - [ -0.0004816500000000, -0.0008342400000000, 0.0018866700000000 ] - [ 0.0002688300000000, -0.0001599900000000, 0.0025248800000000 ] - [ -0.0001188100000000, -0.0002057800000000, -0.0022577700000000 ] - [ -0.0002729700000000, 0.0001528100000000, 0.0025248800000000 ] - [ 0.0003537600000000, -0.0004417900000000, 0.0021981800000000 ] - [ 0.0015245300000000, 0.0026405700000000, 0.0030419900000000 ] - [ -0.0003257000000000, -0.0005641400000000, 0.0009088800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030087100000000 ] - [ -0.0002834200000000, 0.0000000000000000, 0.0019477100000000 ] - [ -0.0030490700000000, 0.0000000000000000, 0.0030419900000000 ] - [ -0.0001021500000000, 0.0126746700000000, 0.0006362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014913200000000 ] - [ -0.0004816500000000, 0.0008342400000000, 0.0018866700000000 ] - [ 0.0110276600000000, 0.0062488600000000, 0.0006362500000000 ] - [ 0.0002057200000000, -0.0005272700000000, 0.0021981800000000 ] - [ 0.0006514100000000, 0.0000000000000000, 0.0009088800000000 ] - [ -0.0000609400000000, 0.0000000000000000, 0.0025051500000000 ] - [ -0.0003257000000000, 0.0005641400000000, 0.0009088800000000 ] - [ -0.0109255100000000, -0.0064258000000000, 0.0006362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014913200000000 ] - [ 0.0032274700000000, 0.0008248400000000, 0.0027317100000000 ] - [ -0.0000076900000000, 0.0000133300000000, 0.0021291600000000 ] - [ -0.0008994000000000, -0.0032074900000000, 0.0027317100000000 ] - [ 0.0002688300000000, 0.0001599900000000, 0.0025248800000000 ] - [ 0.0009632900000000, 0.0000000000000000, 0.0018866700000000 ] - [ -0.0023280600000000, -0.0023826500000000, 0.0027317100000000 ] - [ 0.0001417100000000, 0.0002454500000000, 0.0019477100000000 ] - [ 0.0003537600000000, 0.0004417900000000, 0.0021981800000000 ] - [ 0.0000041400000000, 0.0003128100000000, 0.0025248800000000 ] - [ -0.0001021500000000, -0.0126746700000000, 0.0006362500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030087100000000 ] - [ 0.0000427700000000, 0.0000740900000000, 0.0026557700000000 ] - [ -0.0000855500000000, 0.0000000000000000, 0.0026557700000000 ] - [ 0.0000106600000000, -0.0000184700000000, 0.0021056000000000 ] - [ 0.0015245300000000, -0.0026405700000000, 0.0030419900000000 ] - [ -0.0000076900000000, -0.0000133300000000, 0.0021291600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008505000000000 ] - [ -0.0109255100000000, 0.0064258000000000, 0.0006362500000000 ] - [ -0.0002111500000000, -0.0003657200000000, 0.0020091300000000 ] - [ 0.0000106600000000, 0.0000184700000000, 0.0021056000000000 ] - [ -0.0023280600000000, 0.0023826500000000, 0.0027317100000000 ] - [ 0.0002376200000000, 0.0000000000000000, -0.0022577700000000 ] - [ 0.0004223000000000, 0.0000000000000000, 0.0020091300000000 ] - [ 0.0001417100000000, -0.0002454500000000, 0.0019477100000000 ] - [ -0.0000213300000000, 0.0000000000000000, 0.0021056000000000 ] - [ 0.0000427700000000, -0.0000740900000000, 0.0026557700000000 ] - [ 0.0000041400000000, -0.0003128100000000, 0.0025248800000000 ] - [ -0.0002729700000000, -0.0001528100000000, 0.0025248800000000 ] - [ 0.0000153900000000, 0.0000000000000000, 0.0021291600000000 ] - [ -0.0001188100000000, 0.0002057800000000, -0.0022577700000000 ] - [ 0.0000304700000000, 0.0000527800000000, 0.0025051500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061263500000000 ] - [ 0.0007819300000000, 0.0005270000000000, 0.0005210000000000 ] - [ 0.0008506100000000, -0.0014732900000000, 0.0002173000000000 ] - [ 0.0002254400000000, 0.0000342700000000, -0.0015386400000000 ] - [ -0.0001282000000000, 0.0002220500000000, -0.0016809100000000 ] - [ -0.0001931700000000, -0.0003345700000000, -0.0018073800000000 ] - [ 0.0012349200000000, -0.0008332400000000, 0.0005018600000000 ] - [ 0.0001290000000000, -0.0002234300000000, -0.0012184900000000 ] - [ -0.0001151800000000, 0.0003222500000000, -0.0011820700000000 ] - [ 0.0001166600000000, 0.0002020600000000, -0.0021448500000000 ] - [ -0.0002333200000000, 0.0000000000000000, -0.0021448500000000 ] - [ 0.0000763500000000, -0.0003737000000000, -0.0017010700000000 ] - [ -0.0001424000000000, -0.0001781000000000, -0.0015386400000000 ] - [ 0.0000654300000000, -0.0009406700000000, 0.0005210000000000 ] - [ 0.0019774400000000, 0.0012350600000000, 0.0036743300000000 ] - [ -0.0010280400000000, -0.0002934500000000, -0.0014979800000000 ] - [ -0.0020583100000000, 0.0010949800000000, 0.0036743300000000 ] - [ 0.0001290000000000, 0.0002234300000000, -0.0012184900000000 ] - [ 0.0002564000000000, 0.0000000000000000, -0.0016809100000000 ] - [ 0.0374317700000000, 0.0000000000000000, 0.0351686700000000 ] - [ 0.0008506100000000, 0.0014732900000000, 0.0002173000000000 ] - [ -0.0003618100000000, -0.0001207300000000, -0.0017010700000000 ] - [ 0.0010609900000000, 0.0000000000000000, -0.0015694200000000 ] - [ -0.0010280400000000, 0.0002934500000000, -0.0014979800000000 ] - [ 0.0002598800000000, 0.0010370300000000, -0.0014979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014678600000000 ] - [ 0.0007681500000000, 0.0007435800000000, -0.0014979800000000 ] - [ -0.0001693300000000, 0.0002932900000000, -0.0020629700000000 ] - [ 0.0003172400000000, 0.0005494800000000, -0.0022505800000000 ] - [ 0.0003366700000000, -0.0000613800000000, -0.0011820700000000 ] - [ 0.0001166600000000, -0.0002020600000000, -0.0021448500000000 ] - [ -0.0027153900000000, -0.0047031900000000, -0.0037150600000000 ] - [ -0.0000514500000000, 0.0002907400000000, -0.0017215700000000 ] - [ -0.0002214900000000, 0.0002608800000000, -0.0011820700000000 ] - [ -0.0001931700000000, 0.0003345700000000, -0.0018073800000000 ] - [ -0.0001151800000000, -0.0003222500000000, -0.0011820700000000 ] - [ -0.0002260600000000, 0.0001899300000000, -0.0017215700000000 ] - [ 0.0001498100000000, 0.0000000000000000, -0.0009739300000000 ] - [ 0.0012349200000000, 0.0008332400000000, 0.0005018600000000 ] - [ 0.0002854600000000, -0.0002529700000000, -0.0017010700000000 ] - [ 0.0033573400000000, 0.0000000000000000, 0.0034499800000000 ] - [ 0.0003863300000000, 0.0000000000000000, -0.0018073800000000 ] - [ -0.0005304900000000, 0.0009188400000000, -0.0015694200000000 ] - [ 0.0002254400000000, -0.0000342700000000, -0.0015386400000000 ] - [ -0.0002260600000000, -0.0001899300000000, -0.0017215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016010900000000 ] - [ -0.0001685700000000, -0.0002919600000000, -0.0014170800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047841900000000 ] - [ -0.0001978400000000, 0.0003426700000000, -0.0010396500000000 ] - [ -0.0001685700000000, 0.0002919600000000, -0.0014170800000000 ] - [ -0.0187158800000000, 0.0324168600000000, 0.0351686700000000 ] - [ 0.0000808700000000, -0.0023300400000000, 0.0036743300000000 ] - [ -0.0187158800000000, -0.0324168600000000, 0.0351686700000000 ] - [ -0.0000749100000000, 0.0001297400000000, -0.0009739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047841900000000 ] - [ 0.0002598800000000, -0.0010370300000000, -0.0014979800000000 ] - [ 0.0002775100000000, -0.0001008100000000, -0.0017215700000000 ] - [ 0.0054307700000000, 0.0000000000000000, -0.0037150600000000 ] - [ 0.0003371300000000, 0.0000000000000000, -0.0014170800000000 ] - [ -0.0032401900000000, 0.0056121800000000, -0.0071060100000000 ] - [ -0.0005304900000000, -0.0009188400000000, -0.0015694200000000 ] - [ -0.0002579900000000, 0.0000000000000000, -0.0012184900000000 ] - [ -0.0013390700000000, 0.0006528500000000, 0.0005018600000000 ] - [ -0.0003618100000000, 0.0001207300000000, -0.0017010700000000 ] - [ -0.0016786700000000, -0.0029075400000000, 0.0034499800000000 ] - [ -0.0001693300000000, -0.0002932900000000, -0.0020629700000000 ] - [ -0.0017012100000000, 0.0000000000000000, 0.0002173000000000 ] - [ -0.0017627300000000, 0.0000000000000000, -0.0011766000000000 ] - [ -0.0006344800000000, 0.0000000000000000, -0.0022505800000000 ] - [ 0.0007681500000000, -0.0007435800000000, -0.0014979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016010900000000 ] - [ -0.0000514500000000, -0.0002907400000000, -0.0017215700000000 ] - [ -0.0020583100000000, -0.0010949800000000, 0.0036743300000000 ] - [ 0.0064803800000000, 0.0000000000000000, -0.0071060100000000 ] - [ -0.0008473600000000, 0.0004136700000000, 0.0005210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014678600000000 ] - [ 0.0000763500000000, 0.0003737000000000, -0.0017010700000000 ] - [ 0.0001041500000000, -0.0014860900000000, 0.0005018600000000 ] - [ -0.0000749100000000, -0.0001297400000000, -0.0009739300000000 ] - [ 0.0008813600000000, -0.0015265700000000, -0.0011766000000000 ] - [ -0.0002214900000000, -0.0002608800000000, -0.0011820700000000 ] - [ -0.0032401900000000, -0.0056121800000000, -0.0071060100000000 ] - [ -0.0001978400000000, -0.0003426700000000, -0.0010396500000000 ] - [ 0.0003956800000000, 0.0000000000000000, -0.0010396500000000 ] - [ 0.0003172400000000, -0.0005494800000000, -0.0022505800000000 ] - [ -0.0027153900000000, 0.0047031900000000, -0.0037150600000000 ] - [ 0.0008813600000000, 0.0015265700000000, -0.0011766000000000 ] - [ -0.0013390700000000, -0.0006528500000000, 0.0005018600000000 ] - [ -0.0008473600000000, -0.0004136700000000, 0.0005210000000000 ] - [ -0.0001424000000000, 0.0001781000000000, -0.0015386400000000 ] - [ 0.0000654300000000, 0.0009406700000000, 0.0005210000000000 ] - [ 0.0002775100000000, 0.0001008100000000, -0.0017215700000000 ] - [ -0.0001282000000000, -0.0002220500000000, -0.0016809100000000 ] - [ 0.0000808700000000, 0.0023300400000000, 0.0036743300000000 ] - [ 0.0003386600000000, 0.0000000000000000, -0.0020629700000000 ] - [ 0.0007819300000000, -0.0005270000000000, 0.0005210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1717772600000000 ] - [ -0.0000830400000000, -0.0002123700000000, -0.0015386400000000 ] - [ 0.0019774400000000, -0.0012350600000000, 0.0036743300000000 ] - [ 0.0003366700000000, 0.0000613800000000, -0.0011820700000000 ] - [ 0.0001041500000000, 0.0014860900000000, 0.0005018600000000 ] - [ 0.0002854600000000, 0.0002529700000000, -0.0017010700000000 ] - [ -0.0000830400000000, 0.0002123700000000, -0.0015386400000000 ] - [ -0.0016786700000000, 0.0029075400000000, 0.0034499800000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0057917100000000, 0.0100315400000000, 0.0086136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055685300000000 ] - [ 0.0115834200000000, 0.0000000000000000, 0.0086136900000000 ] - [ -0.0057917100000000, -0.0100315400000000, 0.0086136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0064650900000000 ] - [ 0.0002434800000000, 0.0003317500000000, -0.0023999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2783448600000000 ] - [ -0.0109466500000000, 0.0064447700000000, -0.0004348800000000 ] - [ -0.0000524600000000, 0.0000908600000000, -0.0020824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0280443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002101800000000 ] - [ 0.0006568400000000, -0.0032282800000000, -0.0028167400000000 ] - [ -0.0031241900000000, 0.0010453000000000, -0.0028167400000000 ] - [ -0.0004090500000000, -0.0000449800000000, -0.0023999100000000 ] - [ 0.0002778600000000, -0.0004812800000000, -0.0026413400000000 ] - [ 0.0002434800000000, -0.0003317500000000, -0.0023999100000000 ] - [ 0.0005670100000000, 0.0009820900000000, -0.0012255500000000 ] - [ 0.0002519000000000, 0.0002287500000000, -0.0023327200000000 ] - [ -0.0001642200000000, -0.0002844400000000, 0.0022033900000000 ] - [ 0.0000721500000000, 0.0003325200000000, -0.0023327200000000 ] - [ 0.0001655600000000, 0.0003767400000000, -0.0023999100000000 ] - [ -0.0014777500000000, -0.0025595300000000, -0.0024321300000000 ] - [ 0.0000452900000000, 0.0000784500000000, -0.0008173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026609300000000 ] - [ 0.0001250200000000, 0.0000000000000000, -0.0026069800000000 ] - [ 0.0029554900000000, 0.0000000000000000, -0.0024321300000000 ] - [ -0.0001080100000000, -0.0127024600000000, -0.0004348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021240800000000 ] - [ 0.0005670100000000, -0.0009820900000000, -0.0012255500000000 ] - [ -0.0109466500000000, -0.0064447700000000, -0.0004348800000000 ] - [ -0.0004090500000000, 0.0000449800000000, -0.0023999100000000 ] - [ -0.0000905800000000, 0.0000000000000000, -0.0008173800000000 ] - [ 0.0001049200000000, 0.0000000000000000, -0.0020824400000000 ] - [ 0.0000452900000000, -0.0000784500000000, -0.0008173800000000 ] - [ 0.0110546600000000, 0.0062576900000000, -0.0004348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021240800000000 ] - [ -0.0031241900000000, -0.0010453000000000, -0.0028167400000000 ] - [ -0.0000146900000000, 0.0000254400000000, -0.0025639100000000 ] - [ 0.0006568400000000, 0.0032282800000000, -0.0028167400000000 ] - [ 0.0002519000000000, -0.0002287500000000, -0.0023327200000000 ] - [ -0.0011340200000000, 0.0000000000000000, -0.0012255500000000 ] - [ 0.0024673500000000, 0.0021829800000000, -0.0028167400000000 ] - [ -0.0000625100000000, -0.0001082700000000, -0.0026069800000000 ] - [ 0.0001655600000000, -0.0003767400000000, -0.0023999100000000 ] - [ -0.0003240500000000, 0.0001037800000000, -0.0023327200000000 ] - [ -0.0001080100000000, 0.0127024600000000, -0.0004348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026609300000000 ] - [ 0.0000532600000000, 0.0000922500000000, -0.0020958700000000 ] - [ -0.0001065200000000, 0.0000000000000000, -0.0020958700000000 ] - [ 0.0000849600000000, -0.0001471600000000, -0.0026766600000000 ] - [ -0.0014777500000000, 0.0025595300000000, -0.0024321300000000 ] - [ -0.0000146900000000, -0.0000254400000000, -0.0025639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002101800000000 ] - [ 0.0110546600000000, -0.0062576900000000, -0.0004348800000000 ] - [ 0.0002778600000000, 0.0004812800000000, -0.0026413400000000 ] - [ 0.0000849600000000, 0.0001471600000000, -0.0026766600000000 ] - [ 0.0024673500000000, -0.0021829800000000, -0.0028167400000000 ] - [ 0.0003284400000000, 0.0000000000000000, 0.0022033900000000 ] - [ -0.0005557300000000, 0.0000000000000000, -0.0026413400000000 ] - [ -0.0000625100000000, 0.0001082700000000, -0.0026069800000000 ] - [ -0.0001699300000000, 0.0000000000000000, -0.0026766600000000 ] - [ 0.0000532600000000, -0.0000922500000000, -0.0020958700000000 ] - [ -0.0003240500000000, -0.0001037800000000, -0.0023327200000000 ] - [ 0.0000721500000000, -0.0003325200000000, -0.0023327200000000 ] - [ 0.0000293800000000, 0.0000000000000000, -0.0025639100000000 ] - [ -0.0001642200000000, 0.0002844400000000, 0.0022033900000000 ] - [ -0.0000524600000000, -0.0000908600000000, -0.0020824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0064650900000000 ] - [ -0.0009971100000000, -0.0004190600000000, -0.0009296200000000 ] - [ -0.0007922100000000, 0.0013721400000000, -0.0011289700000000 ] - [ -0.0000675700000000, -0.0002102600000000, 0.0016704200000000 ] - [ -0.0000196900000000, 0.0000341100000000, 0.0014203500000000 ] - [ 0.0001765600000000, 0.0003058000000000, 0.0012730800000000 ] - [ -0.0011479800000000, 0.0006546800000000, -0.0004549500000000 ] - [ -0.0001459300000000, 0.0002527700000000, 0.0017592900000000 ] - [ 0.0002257900000000, -0.0005033100000000, 0.0011192300000000 ] - [ 0.0001042800000000, 0.0001806100000000, 0.0021504000000000 ] - [ -0.0002085500000000, 0.0000000000000000, 0.0021504000000000 ] - [ 0.0000384700000000, 0.0003687900000000, 0.0013345900000000 ] - [ 0.0002158700000000, -0.0000466200000000, 0.0016704200000000 ] - [ 0.0001356400000000, 0.0010730600000000, -0.0009296200000000 ] - [ -0.0019425900000000, -0.0009812300000000, -0.0032703800000000 ] - [ 0.0009859800000000, 0.0003976200000000, 0.0018736800000000 ] - [ 0.0018210600000000, -0.0011917200000000, -0.0032703800000000 ] - [ -0.0001459300000000, -0.0002527700000000, 0.0017592900000000 ] - [ 0.0000393800000000, 0.0000000000000000, 0.0014203500000000 ] - [ -0.0371569900000000, 0.0000000000000000, -0.0344610200000000 ] - [ -0.0007922100000000, -0.0013721400000000, -0.0011289700000000 ] - [ 0.0003001400000000, 0.0002177100000000, 0.0013345900000000 ] - [ -0.0011860600000000, 0.0000000000000000, 0.0024467900000000 ] - [ 0.0009859800000000, -0.0003976200000000, 0.0018736800000000 ] - [ -0.0001486400000000, -0.0010527000000000, 0.0018736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011461000000000 ] - [ -0.0008373400000000, -0.0006550700000000, 0.0018736800000000 ] - [ -0.0001529700000000, 0.0002649500000000, 0.0020673400000000 ] - [ -0.0002877700000000, -0.0004984400000000, 0.0023385700000000 ] - [ -0.0005487700000000, 0.0000561200000000, 0.0011192300000000 ] - [ 0.0001042800000000, -0.0001806100000000, 0.0021504000000000 ] - [ 0.0027906400000000, 0.0048335300000000, 0.0036489900000000 ] - [ 0.0002102300000000, -0.0001144500000000, 0.0015970700000000 ] - [ 0.0003229800000000, -0.0004471900000000, 0.0011192300000000 ] - [ 0.0001765600000000, -0.0003058000000000, 0.0012730800000000 ] - [ 0.0002257900000000, 0.0005033100000000, 0.0011192300000000 ] - [ -0.0000060000000000, -0.0002392900000000, 0.0015970700000000 ] - [ 0.0001445600000000, 0.0000000000000000, 0.0012357100000000 ] - [ -0.0011479800000000, -0.0006546800000000, -0.0004549500000000 ] - [ -0.0003386200000000, 0.0001510800000000, 0.0013345900000000 ] - [ -0.0030767900000000, 0.0000000000000000, -0.0034756900000000 ] - [ -0.0003531100000000, 0.0000000000000000, 0.0012730800000000 ] - [ 0.0005930300000000, -0.0010271600000000, 0.0024467900000000 ] - [ -0.0000675700000000, 0.0002102600000000, 0.0016704200000000 ] - [ -0.0000060000000000, 0.0002392900000000, 0.0015970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019246400000000 ] - [ -0.0002356000000000, -0.0004080700000000, 0.0011021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047770200000000 ] - [ -0.0002057200000000, 0.0003563100000000, 0.0013613800000000 ] - [ -0.0002356000000000, 0.0004080700000000, 0.0011021000000000 ] - [ 0.0185785000000000, -0.0321789000000000, -0.0344610200000000 ] - [ 0.0001215300000000, 0.0021729500000000, -0.0032703800000000 ] - [ 0.0185785000000000, 0.0321789000000000, -0.0344610200000000 ] - [ -0.0000722800000000, 0.0001251900000000, 0.0012357100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047770200000000 ] - [ -0.0001486400000000, 0.0010527000000000, 0.0018736800000000 ] - [ -0.0002042300000000, -0.0001248400000000, 0.0015970700000000 ] - [ -0.0055812800000000, 0.0000000000000000, 0.0036489900000000 ] - [ 0.0004712000000000, 0.0000000000000000, 0.0011021000000000 ] - [ 0.0028950700000000, -0.0050144100000000, 0.0067393500000000 ] - [ 0.0005930300000000, 0.0010271600000000, 0.0024467900000000 ] - [ 0.0002918700000000, 0.0000000000000000, 0.0017592900000000 ] - [ 0.0011409600000000, -0.0006668400000000, -0.0004549500000000 ] - [ 0.0003001400000000, -0.0002177100000000, 0.0013345900000000 ] - [ 0.0015384000000000, 0.0026645800000000, -0.0034756900000000 ] - [ -0.0001529700000000, -0.0002649500000000, 0.0020673400000000 ] - [ 0.0015844100000000, 0.0000000000000000, -0.0011289700000000 ] - [ 0.0020181300000000, 0.0000000000000000, 0.0011656200000000 ] - [ 0.0005755500000000, 0.0000000000000000, 0.0023385700000000 ] - [ -0.0008373400000000, 0.0006550700000000, 0.0018736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019246400000000 ] - [ 0.0002102300000000, 0.0001144500000000, 0.0015970700000000 ] - [ 0.0018210600000000, 0.0011917200000000, -0.0032703800000000 ] - [ -0.0057901400000000, 0.0000000000000000, 0.0067393500000000 ] - [ 0.0008614700000000, -0.0006539900000000, -0.0009296200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011461000000000 ] - [ 0.0000384700000000, -0.0003687900000000, 0.0013345900000000 ] - [ 0.0000070200000000, 0.0013215200000000, -0.0004549500000000 ] - [ -0.0000722800000000, -0.0001251900000000, 0.0012357100000000 ] - [ -0.0010090700000000, 0.0017477600000000, 0.0011656200000000 ] - [ 0.0003229800000000, 0.0004471900000000, 0.0011192300000000 ] - [ 0.0028950700000000, 0.0050144100000000, 0.0067393500000000 ] - [ -0.0002057200000000, -0.0003563100000000, 0.0013613800000000 ] - [ 0.0004114300000000, 0.0000000000000000, 0.0013613800000000 ] - [ -0.0002877700000000, 0.0004984400000000, 0.0023385700000000 ] - [ 0.0027906400000000, -0.0048335300000000, 0.0036489900000000 ] - [ -0.0010090700000000, -0.0017477600000000, 0.0011656200000000 ] - [ 0.0011409600000000, 0.0006668400000000, -0.0004549500000000 ] - [ 0.0008614700000000, 0.0006539900000000, -0.0009296200000000 ] - [ 0.0002158700000000, 0.0000466200000000, 0.0016704200000000 ] - [ 0.0001356400000000, -0.0010730600000000, -0.0009296200000000 ] - [ -0.0002042300000000, 0.0001248400000000, 0.0015970700000000 ] - [ -0.0000196900000000, -0.0000341100000000, 0.0014203500000000 ] - [ 0.0001215300000000, -0.0021729500000000, -0.0032703800000000 ] - [ 0.0003059400000000, 0.0000000000000000, 0.0020673400000000 ] - [ -0.0009971100000000, 0.0004190600000000, -0.0009296200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1605567600000000 ] - [ -0.0001483100000000, 0.0001636400000000, 0.0016704200000000 ] - [ -0.0019425900000000, 0.0009812300000000, -0.0032703800000000 ] - [ -0.0005487700000000, -0.0000561200000000, 0.0011192300000000 ] - [ 0.0000070200000000, -0.0013215200000000, -0.0004549500000000 ] - [ -0.0003386200000000, -0.0001510800000000, 0.0013345900000000 ] - [ -0.0001483100000000, -0.0001636400000000, 0.0016704200000000 ] - [ 0.0015384000000000, -0.0026645800000000, -0.0034756900000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006877700000000, -0.0009159000000000, 0.0004536500000000 ] - [ -0.0000160000000000, 0.0000918800000000, -0.0001014600000000 ] - [ 0.0026171100000000, -0.0056678300000000, -0.0059800800000000 ] - [ -0.0062845800000000, 0.0036763000000000, -0.0047733200000000 ] - [ 0.0031439400000000, 0.0009853000000000, 0.0018853600000000 ] - [ 0.0000053100000000, -0.0000145500000000, 0.0000371800000000 ] - [ -0.0000096600000000, -0.0000138800000000, -0.0002480100000000 ] - [ 0.0136328200000000, -0.0190276300000000, -0.0098720000000000 ] - [ 0.0008827700000000, 0.0000997300000000, 0.0010500400000000 ] - [ 0.0144138700000000, -0.0110215300000000, 0.0106290700000000 ] - [ -0.2203135800000000, -0.0382108300000000, 0.0212635300000000 ] - [ -0.0000195300000000, 0.0000117500000000, 0.0000791800000000 ] - [ -0.0004018600000000, -0.0001256900000000, 0.0028188900000000 ] - [ 0.0107012100000000, -0.0076367400000000, 0.0105682100000000 ] - [ -0.0001871100000000, 0.0001446700000000, 0.0002627200000000 ] - [ 0.0003486400000000, 0.0001741200000000, 0.0000385000000000 ] - [ 0.0004899400000000, 0.0012376900000000, 0.0003033100000000 ] - [ -0.0000379000000000, -0.0000570800000000, -0.0003666700000000 ] - [ 0.0003879500000000, 0.0008620600000000, 0.0003384500000000 ] - [ 0.0047554600000000, 0.0009896300000000, -0.0013800300000000 ] - [ 0.0002690700000000, 0.0000293700000000, 0.0000030100000000 ] - [ 0.0030930600000000, -0.0005027100000000, 0.0001497600000000 ] - [ -0.0000933600000000, 0.0002524600000000, 0.0000032000000000 ] - [ -0.0014849800000000, 0.0016621000000000, -0.0013660100000000 ] - [ -0.0012594600000000, -0.0008166700000000, 0.0001150500000000 ] - [ 0.0001731200000000, -0.0003669600000000, -0.0000440900000000 ] - [ -0.0000295300000000, -0.0000417600000000, -0.0032879300000000 ] - [ -0.0000906700000000, -0.0000002800000000, -0.0004703900000000 ] - [ 0.0045572800000000, 0.0023898100000000, 0.0026918200000000 ] - [ 0.0021647600000000, -0.0052761400000000, 0.0002193200000000 ] - [ -0.0000031400000000, -0.0000292600000000, -0.0005237800000000 ] - [ -0.0001067000000000, -0.0022550300000000, 0.0015431800000000 ] - [ -0.0163850800000000, -0.0010014200000000, -0.0088973000000000 ] - [ -0.0011316800000000, 0.0001702500000000, 0.0009554900000000 ] - [ 0.0004739500000000, 0.0002154200000000, -0.0003369100000000 ] - [ 0.0000356000000000, -0.0000066800000000, 0.0001032900000000 ] - [ -0.0005425600000000, 0.0002786400000000, -0.0000239500000000 ] - [ 0.0127196500000000, -0.0008098500000000, -0.0012375400000000 ] - [ 0.0000220200000000, 0.0000806100000000, -0.0003917000000000 ] - [ 0.0006022600000000, 0.0000192800000000, -0.0000595800000000 ] - [ -0.0002860500000000, -0.0000037800000000, -0.0006795400000000 ] - [ -0.0001565800000000, -0.0004625500000000, -0.0001009900000000 ] - [ 0.0002554200000000, -0.0000291400000000, 0.0000105500000000 ] - [ -0.0029211200000000, 0.0000028600000000, 0.0116320500000000 ] - [ -0.0001359100000000, -0.0000541600000000, -0.0002283300000000 ] - [ 0.0000601300000000, 0.0000690200000000, -0.0003818400000000 ] - [ 0.0007419200000000, -0.0008574300000000, 0.0002615600000000 ] - [ -0.0001458700000000, 0.0002057600000000, 0.0000006800000000 ] - [ 0.0357302000000000, 0.0306165200000000, 0.0033907400000000 ] - [ 0.0001166500000000, 0.0004419900000000, 0.0000627100000000 ] - [ 0.0005821900000000, 0.0000999800000000, -0.0000137200000000 ] - [ -0.0003980500000000, -0.0000064100000000, 0.0004823500000000 ] - [ 0.0000470800000000, -0.0000969400000000, -0.0003706700000000 ] - [ -0.0187095500000000, 0.0141171500000000, -0.0122111100000000 ] - [ -0.0002741600000000, -0.0002922900000000, -0.0003967100000000 ] - [ 0.0022610000000000, 0.0052245700000000, 0.0003784300000000 ] - [ 0.0027800300000000, 0.0012244800000000, -0.0004663100000000 ] - [ 0.0000411700000000, 0.0000216200000000, -0.0004105100000000 ] - [ 0.0000608300000000, 0.0000926800000000, -0.0004069500000000 ] - [ -0.0004504000000000, -0.0000501500000000, -0.0002213700000000 ] - [ 0.0303453700000000, 0.0277774000000000, 0.0044327400000000 ] - [ 0.0000072100000000, 0.0000269800000000, -0.0004215600000000 ] - [ 0.0000267800000000, -0.0000685300000000, -0.0004022900000000 ] - [ -0.0001226600000000, 0.0000043600000000, -0.0003423400000000 ] - [ 0.0000799200000000, -0.0003488500000000, 0.0003132700000000 ] - [ -0.0001542900000000, -0.0001948200000000, 0.0000020100000000 ] - [ -0.0001176800000000, -0.0002522100000000, 0.0000029800000000 ] - [ 0.0005344800000000, -0.0000527300000000, -0.0004471300000000 ] - [ -0.0169112900000000, -0.0001357100000000, -0.0080016300000000 ] - [ -0.0000170600000000, -0.0000266800000000, 0.0001152600000000 ] - [ 0.0023111700000000, 0.0052338900000000, 0.0002180600000000 ] - [ -0.0003486000000000, -0.0002419800000000, 0.0001331000000000 ] - [ 0.0007182100000000, 0.0029295600000000, -0.0001010200000000 ] - [ 0.0002401000000000, 0.0001978400000000, -0.0002575300000000 ] - [ -0.0000564800000000, 0.0001334800000000, -0.0000750100000000 ] - [ -0.0000024100000000, -0.0000021600000000, -0.0002060500000000 ] - [ -0.0025417200000000, -0.0033613200000000, -0.0006862100000000 ] - [ 0.0006928600000000, -0.0000368500000000, 0.0004294000000000 ] - [ 0.0000190400000000, -0.0000473800000000, 0.0000972400000000 ] - [ 0.0000130300000000, 0.0001833400000000, 0.0001328300000000 ] - [ -0.0001803700000000, -0.0000177800000000, -0.0000050600000000 ] - [ 0.0000524000000000, 0.0000042900000000, -0.0001440000000000 ] - [ 0.0001192400000000, -0.0000933800000000, -0.0000296900000000 ] - [ 0.0000578000000000, -0.0001178900000000, -0.0004320600000000 ] - [ -0.0078974200000000, 0.0029266300000000, -0.0004848400000000 ] - [ 0.0017628900000000, -0.0016882400000000, -0.0020847200000000 ] - [ 0.0438340200000000, 0.0012281500000000, -0.0147076600000000 ] - [ 0.0000980600000000, -0.0001383800000000, 0.0000633100000000 ] - [ 0.0001371600000000, -0.0000085800000000, -0.0000507400000000 ] - [ 0.0288527800000000, -0.0091321800000000, 0.0099244300000000 ] - [ -0.0065200600000000, -0.0020868800000000, -0.0001772300000000 ] - [ -0.0000496100000000, 0.0000530600000000, -0.0001300400000000 ] - [ 0.0000440200000000, -0.0000736200000000, 0.0006216600000000 ] - [ 0.0059887400000000, 0.0006350400000000, 0.0006322800000000 ] - [ -0.0016637600000000, -0.0035749500000000, 0.0055729700000000 ] - [ -0.0002848900000000, -0.0013925000000000, 0.0001695600000000 ] - [ -0.0027251800000000, 0.0004732600000000, -0.0003276100000000 ] - [ -0.0001142400000000, 0.0002798900000000, 0.0001594900000000 ] - [ 0.0000761000000000, 0.0000511000000000, 0.0000681900000000 ] - [ 0.0000401700000000, 0.0000274400000000, 0.0000750800000000 ] - [ 0.0001213400000000, -0.0001454400000000, 0.0000535600000000 ] - [ 0.0019467100000000, 0.0034928600000000, 0.0019228100000000 ] - [ 0.0000848600000000, 0.0000718800000000, 0.0000004000000000 ] - [ -0.0000082000000000, -0.0001368800000000, 0.0000734800000000 ] - [ 0.0000101100000000, -0.0000020400000000, -0.0001980500000000 ] - [ 0.0000746900000000, 0.0000579400000000, -0.0000650100000000 ] - [ -0.0001042100000000, -0.0000329900000000, -0.0000144400000000 ] - [ -0.0011207400000000, -0.0005189400000000, -0.0023711400000000 ] - [ -0.0086690700000000, -0.0008940000000000, -0.0045209900000000 ] - [ -0.0000062600000000, -0.0000381900000000, -0.0001225200000000 ] - [ -0.0074517700000000, -0.0031850300000000, -0.0004241900000000 ] - [ -0.0000089900000000, -0.0000009900000000, -0.0002038600000000 ] - [ 0.0000613000000000, 0.0000940700000000, 0.0004874200000000 ] - [ -0.0002592000000000, -0.0004138000000000, 0.0007126000000000 ] - [ -0.0001123900000000, 0.0000217300000000, -0.0000082200000000 ] - [ 0.0000011300000000, 0.0000062700000000, 0.0002469800000000 ] - [ -0.0004402000000000, -0.0003711200000000, 0.0002031400000000 ] - [ -0.0017193600000000, 0.0035975400000000, 0.0062358300000000 ] - [ -0.0002069800000000, 0.0003561300000000, 0.0002053200000000 ] - [ -0.0003498500000000, 0.0006326000000000, 0.0001549900000000 ] - [ -0.0027925700000000, 0.0033454300000000, 0.0005428700000000 ] - [ 0.0026283900000000, 0.0064690700000000, 0.0012423500000000 ] - [ -0.0106511500000000, -0.0001670200000000, -0.0029380300000000 ] - [ 0.0025423000000000, 0.0008103500000000, -0.0018772800000000 ] - [ -0.0004816900000000, -0.0013858100000000, -0.0000869100000000 ] - [ -0.0000638100000000, 0.0014234500000000, 0.0001776900000000 ] - [ 0.0000301100000000, -0.0001116700000000, -0.0000030000000000 ] - [ -0.0050121100000000, 0.0007954800000000, -0.0003375600000000 ] - [ 0.0007307000000000, 0.0000616500000000, -0.0000330400000000 ] - [ -0.0003610300000000, 0.0007548000000000, -0.0007874400000000 ] - [ -0.0001389800000000, -0.0000016400000000, 0.0004398200000000 ] - [ -0.0005337800000000, -0.0000191900000000, -0.0001340000000000 ] - [ 0.0200742400000000, 0.0074356100000000, -0.0043458100000000 ] - [ -0.0000347800000000, -0.0000457000000000, -0.0001292700000000 ] - [ 0.0000849100000000, 0.0035459200000000, 0.0004557600000000 ] - [ -0.0001258100000000, -0.0002346700000000, 0.0000764700000000 ] - [ 0.0196471100000000, -0.0022067300000000, -0.0021449200000000 ] - [ -0.0002011200000000, -0.0001353700000000, 0.0001557600000000 ] - [ -0.0001597100000000, 0.0000083400000000, 0.0000359800000000 ] - [ -0.0011831100000000, 0.0001582700000000, -0.0000302200000000 ] - [ -0.0000030100000000, -0.0000131900000000, 0.0002253200000000 ] - [ 0.0000900200000000, -0.0000715300000000, -0.0000106600000000 ] - [ 0.0018734900000000, -0.0069802700000000, 0.0029340900000000 ] - [ 0.0013179300000000, 0.0001379200000000, -0.0001004400000000 ] - [ 0.0000111200000000, -0.0001906600000000, -0.0002650200000000 ] - [ -0.0006106100000000, 0.0004101000000000, -0.0025907200000000 ] - [ 0.0000631100000000, 0.0000050700000000, -0.0001272400000000 ] - [ -0.0023049600000000, 0.0027353200000000, -0.0001538000000000 ] - [ -0.0009521900000000, -0.0007705700000000, 0.0000958300000000 ] - [ 0.0002752600000000, 0.0001012800000000, -0.0002686600000000 ] - [ -0.0000277700000000, 0.0000639200000000, 0.0001387800000000 ] - [ -0.0004213400000000, -0.0005798600000000, -0.0008691900000000 ] - [ -0.0002109900000000, -0.0003451600000000, 0.0002185500000000 ] - [ 0.0004222200000000, 0.0000077900000000, 0.0002073300000000 ] - [ 0.0000901900000000, 0.0000156900000000, -0.0000082800000000 ] - [ 0.0418651800000000, -0.0002147700000000, -0.0132143700000000 ] - [ -0.0000745200000000, 0.0000225500000000, 0.0000385600000000 ] - [ 0.0000875600000000, -0.0032510700000000, 0.0000702300000000 ] - [ -0.0008831700000000, 0.0000941300000000, 0.0003562700000000 ] - [ -0.0004241100000000, 0.0001386800000000, -0.0002713500000000 ] - [ 0.0005266200000000, 0.0005527000000000, 0.0005182100000000 ] - [ 0.0000088300000000, 0.0001151000000000, 0.0000002200000000 ] - [ -0.0000849700000000, -0.0001306600000000, -0.0000672900000000 ] - [ -0.0026518700000000, -0.0029662100000000, -0.0004242800000000 ] - [ 0.0002306900000000, 0.0000164700000000, 0.0000728300000000 ] - [ 0.0001697100000000, -0.0004280900000000, 0.0005931600000000 ] - [ -0.0012595700000000, 0.0010248000000000, -0.0039853400000000 ] - [ 0.0003203300000000, -0.0000618200000000, -0.0002192000000000 ] - [ 0.0002081700000000, -0.0047222400000000, 0.0004035700000000 ] - [ -0.0001199400000000, -0.0000561500000000, 0.0000219000000000 ] - [ 0.0020292300000000, -0.0086655500000000, 0.0031859400000000 ] - [ -0.0000236600000000, 0.0000326300000000, -0.0001223200000000 ] - [ -0.0000964500000000, -0.0002655500000000, -0.0001929500000000 ] - [ 0.0327710100000000, 0.0122384700000000, 0.0110311100000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007491300000000, 0.0008128700000000, -0.0004502500000000 ] - [ 0.0000162800000000, -0.0000920100000000, 0.0001018900000000 ] - [ -0.0026214300000000, 0.0056677800000000, 0.0063620200000000 ] - [ 0.0061975000000000, -0.0036624900000000, 0.0047399200000000 ] - [ -0.0030865500000000, -0.0008742700000000, -0.0018626600000000 ] - [ -0.0000053500000000, 0.0000148600000000, -0.0000368700000000 ] - [ 0.0000096000000000, 0.0000139200000000, -0.0001553700000000 ] - [ -0.0137276000000000, 0.0190654400000000, 0.0103187400000000 ] - [ -0.0011980000000000, 0.0003169700000000, -0.0012529500000000 ] - [ -0.0144177600000000, 0.0108691200000000, -0.0113463900000000 ] - [ 0.2216786000000000, 0.0380999600000000, -0.0216907400000000 ] - [ 0.0000027800000000, 0.0000302800000000, 0.0003484700000000 ] - [ 0.0003988000000000, 0.0001225600000000, -0.0019758600000000 ] - [ -0.0106877100000000, 0.0077398100000000, -0.0100313000000000 ] - [ -0.0000632200000000, -0.0001709000000000, -0.0003423600000000 ] - [ -0.0002533000000000, 0.0000521800000000, -0.0001197500000000 ] - [ -0.0006905700000000, -0.0007499500000000, -0.0005004900000000 ] - [ 0.0001061300000000, -0.0000598400000000, -0.0002595800000000 ] - [ -0.0007064600000000, -0.0012806600000000, -0.0005367800000000 ] - [ -0.0046891700000000, -0.0008515500000000, 0.0020201600000000 ] - [ 0.0002517900000000, 0.0000381500000000, 0.0001955000000000 ] - [ -0.0033685100000000, 0.0000449500000000, -0.0002526300000000 ] - [ -0.0001086300000000, 0.0002324000000000, 0.0001953100000000 ] - [ 0.0020035600000000, -0.0017335500000000, 0.0011681200000000 ] - [ 0.0013239300000000, 0.0009382500000000, 0.0005043000000000 ] - [ -0.0004512700000000, -0.0001137500000000, 0.0001430100000000 ] - [ 0.0000261900000000, 0.0000389500000000, 0.0029556300000000 ] - [ -0.0000681600000000, -0.0000052300000000, -0.0001830400000000 ] - [ -0.0046939600000000, -0.0024170500000000, -0.0020964700000000 ] - [ -0.0024115600000000, 0.0053066100000000, -0.0001451800000000 ] - [ 0.0000047300000000, 0.0000331900000000, -0.0001012300000000 ] - [ 0.0001761600000000, 0.0020984000000000, -0.0008860300000000 ] - [ 0.0165348500000000, 0.0009539600000000, 0.0089851400000000 ] - [ 0.0009323200000000, -0.0006555800000000, -0.0011475300000000 ] - [ 0.0000856700000000, -0.0002164900000000, 0.0004355800000000 ] - [ 0.0000089900000000, 0.0000133100000000, 0.0003242400000000 ] - [ 0.0002632600000000, 0.0002038200000000, 0.0001231800000000 ] - [ -0.0125963800000000, 0.0005811800000000, 0.0013029000000000 ] - [ -0.0000193100000000, -0.0000772800000000, -0.0002334400000000 ] - [ -0.0005006500000000, -0.0002486900000000, -0.0000191700000000 ] - [ 0.0002684200000000, 0.0000465700000000, 0.0002532500000000 ] - [ -0.0000823000000000, 0.0004850900000000, 0.0000207600000000 ] - [ 0.0002649200000000, -0.0000417800000000, 0.0001882500000000 ] - [ 0.0027759800000000, -0.0000110400000000, -0.0109450600000000 ] - [ 0.0002740800000000, -0.0001408300000000, 0.0001469800000000 ] - [ 0.0000177300000000, 0.0000659900000000, -0.0002692800000000 ] - [ -0.0002187500000000, 0.0009264100000000, -0.0004590000000000 ] - [ -0.0001756800000000, 0.0002094500000000, 0.0001981000000000 ] - [ -0.0355388100000000, -0.0301507000000000, -0.0033329400000000 ] - [ -0.0001151200000000, -0.0004472500000000, -0.0004007000000000 ] - [ -0.0004878900000000, 0.0000652800000000, 0.0005803500000000 ] - [ 0.0002074700000000, 0.0000069100000000, 0.0000850000000000 ] - [ 0.0000489300000000, -0.0000681200000000, -0.0001955100000000 ] - [ 0.0187008900000000, -0.0142624300000000, 0.0128740900000000 ] - [ 0.0002540200000000, 0.0002578100000000, -0.0000265300000000 ] - [ -0.0022465200000000, -0.0052098200000000, 0.0002395200000000 ] - [ -0.0026826100000000, -0.0010240800000000, 0.0005462300000000 ] - [ 0.0000262700000000, 0.0000954000000000, -0.0002153900000000 ] - [ 0.0000344300000000, 0.0000725100000000, -0.0001596000000000 ] - [ 0.0005989900000000, 0.0002460400000000, 0.0001387000000000 ] - [ -0.0301080000000000, -0.0281244500000000, -0.0045309800000000 ] - [ -0.0001425000000000, -0.0000263900000000, -0.0002044900000000 ] - [ 0.0000479900000000, -0.0000719700000000, -0.0002508900000000 ] - [ -0.0000682400000000, -0.0000037400000000, -0.0002239500000000 ] - [ 0.0000157700000000, 0.0001830400000000, 0.0002538300000000 ] - [ -0.0001657700000000, -0.0002225400000000, 0.0001951900000000 ] - [ -0.0000836600000000, -0.0002337000000000, 0.0001942100000000 ] - [ -0.0004904600000000, 0.0000589900000000, 0.0000192800000000 ] - [ 0.0166499800000000, 0.0004823900000000, 0.0078950000000000 ] - [ -0.0000037400000000, -0.0000091200000000, 0.0003094000000000 ] - [ -0.0023244000000000, -0.0052520100000000, 0.0001271200000000 ] - [ 0.0001330200000000, 0.0003532000000000, -0.0005441400000000 ] - [ -0.0006560500000000, -0.0030234200000000, -0.0007600700000000 ] - [ -0.0000821900000000, -0.0003729200000000, 0.0003867000000000 ] - [ -0.0000907500000000, 0.0001222200000000, -0.0001893500000000 ] - [ -0.0000157800000000, -0.0000293600000000, -0.0003313700000000 ] - [ 0.0026232900000000, 0.0031839800000000, 0.0007626200000000 ] - [ -0.0007093700000000, 0.0000689400000000, 0.0001075000000000 ] - [ 0.0000908200000000, -0.0001325500000000, -0.0001654000000000 ] - [ 0.0002043200000000, 0.0001929300000000, -0.0001330200000000 ] - [ -0.0002668800000000, 0.0000151800000000, 0.0000056000000000 ] - [ 0.0000628900000000, -0.0000078800000000, -0.0002252700000000 ] - [ -0.0000452400000000, -0.0001319100000000, 0.0001571200000000 ] - [ 0.0001430300000000, 0.0002536500000000, 0.0000110600000000 ] - [ 0.0079081500000000, -0.0026981900000000, 0.0008919100000000 ] - [ -0.0018120900000000, 0.0017851600000000, 0.0024488500000000 ] - [ -0.0473133500000000, -0.0014189300000000, 0.0172185600000000 ] - [ -0.0001135000000000, 0.0001108000000000, 0.0004730400000000 ] - [ 0.0001578500000000, 0.0000089700000000, -0.0002136900000000 ] - [ -0.0280453100000000, 0.0087139000000000, -0.0092388600000000 ] - [ 0.0065855900000000, 0.0021803700000000, -0.0006697800000000 ] - [ -0.0000111800000000, 0.0000449300000000, -0.0002393400000000 ] - [ -0.0001716600000000, 0.0000711400000000, 0.0002480600000000 ] - [ -0.0060212600000000, -0.0007333100000000, -0.0002640700000000 ] - [ 0.0017818100000000, 0.0035825600000000, -0.0052135100000000 ] - [ 0.0002853200000000, 0.0013941300000000, -0.0004894800000000 ] - [ 0.0026684400000000, -0.0003769300000000, 0.0007125900000000 ] - [ -0.0002085500000000, 0.0002857700000000, -0.0001609800000000 ] - [ -0.0000457900000000, 0.0000009900000000, 0.0000166500000000 ] - [ -0.0002531400000000, -0.0000322000000000, -0.0001425300000000 ] - [ 0.0001000900000000, -0.0002431000000000, -0.0000532000000000 ] - [ -0.0019059900000000, -0.0034354000000000, -0.0020113800000000 ] - [ 0.0000763100000000, 0.0001065300000000, -0.0001297500000000 ] - [ 0.0001101200000000, -0.0000498300000000, -0.0001411200000000 ] - [ -0.0000269500000000, 0.0000308500000000, -0.0003410200000000 ] - [ 0.0000348800000000, 0.0001195800000000, -0.0000041800000000 ] - [ -0.0001265600000000, -0.0000153100000000, -0.0001132400000000 ] - [ 0.0014041500000000, 0.0005258300000000, 0.0026348200000000 ] - [ 0.0088053200000000, 0.0010880200000000, 0.0046256300000000 ] - [ -0.0000419600000000, -0.0000628300000000, -0.0002458000000000 ] - [ 0.0077028600000000, 0.0031965300000000, 0.0004306000000000 ] - [ 0.0000424400000000, 0.0000008000000000, -0.0003351400000000 ] - [ 0.0000001500000000, -0.0002057900000000, 0.0003818700000000 ] - [ 0.0004183400000000, 0.0005909600000000, -0.0005842200000000 ] - [ -0.0001183900000000, 0.0000270100000000, -0.0001216400000000 ] - [ -0.0000019000000000, -0.0000044900000000, 0.0000734900000000 ] - [ 0.0000366800000000, -0.0003293100000000, -0.0005219800000000 ] - [ 0.0017216100000000, -0.0035944200000000, -0.0062475000000000 ] - [ -0.0002029300000000, 0.0003383400000000, 0.0001120400000000 ] - [ -0.0000593500000000, 0.0000611900000000, -0.0004732200000000 ] - [ 0.0024648500000000, -0.0027324800000000, -0.0001814600000000 ] - [ -0.0024316500000000, -0.0066278000000000, -0.0008227700000000 ] - [ 0.0102377600000000, -0.0004346300000000, 0.0032743800000000 ] - [ -0.0026817600000000, -0.0005514500000000, 0.0021356300000000 ] - [ 0.0004834300000000, 0.0013850300000000, 0.0000850300000000 ] - [ 0.0001784100000000, -0.0014199800000000, 0.0001925200000000 ] - [ 0.0000433700000000, -0.0001123200000000, -0.0001246300000000 ] - [ 0.0049542700000000, -0.0007766500000000, 0.0002659500000000 ] - [ 0.0000752100000000, -0.0000697800000000, -0.0002851400000000 ] - [ 0.0000172900000000, -0.0001489100000000, 0.0004193000000000 ] - [ 0.0001996200000000, 0.0001061000000000, 0.0004282300000000 ] - [ 0.0005693400000000, 0.0000213700000000, 0.0006740800000000 ] - [ -0.0205315700000000, -0.0072753400000000, 0.0042614800000000 ] - [ -0.0000287000000000, -0.0000465900000000, -0.0002391600000000 ] - [ -0.0002152300000000, -0.0037978100000000, -0.0004454900000000 ] - [ -0.0001932100000000, -0.0003179300000000, -0.0000770200000000 ] - [ -0.0200257500000000, 0.0019108300000000, 0.0010520900000000 ] - [ 0.0004585900000000, 0.0001343800000000, -0.0001704900000000 ] - [ 0.0001025800000000, -0.0000070900000000, 0.0000476000000000 ] - [ 0.0011195200000000, -0.0002456900000000, 0.0004030300000000 ] - [ 0.0000048500000000, 0.0000134200000000, 0.0000952900000000 ] - [ 0.0000676300000000, -0.0001039400000000, -0.0001192300000000 ] - [ -0.0021004100000000, 0.0071196400000000, -0.0025178100000000 ] - [ -0.0006204700000000, -0.0001329200000000, -0.0002668800000000 ] - [ 0.0000032000000000, -0.0000497100000000, -0.0001514600000000 ] - [ 0.0005989800000000, -0.0004163300000000, 0.0022637300000000 ] - [ 0.0000531500000000, -0.0000015500000000, -0.0002439800000000 ] - [ 0.0024008900000000, -0.0029222300000000, 0.0002294700000000 ] - [ 0.0008041500000000, 0.0005114700000000, 0.0001714700000000 ] - [ -0.0004051900000000, 0.0001217600000000, 0.0002559000000000 ] - [ 0.0001263700000000, 0.0001196900000000, -0.0002082000000000 ] - [ 0.0000757200000000, -0.0000194600000000, 0.0005020200000000 ] - [ -0.0001922900000000, -0.0003538300000000, 0.0001010000000000 ] - [ 0.0003841700000000, -0.0000156500000000, 0.0001099500000000 ] - [ -0.0000602300000000, -0.0000647800000000, 0.0000924300000000 ] - [ -0.0395497700000000, 0.0005092700000000, 0.0111913200000000 ] - [ -0.0000560700000000, -0.0002499700000000, -0.0000512100000000 ] - [ -0.0002984200000000, 0.0032411300000000, 0.0000003900000000 ] - [ 0.0009014800000000, 0.0001474900000000, -0.0007780600000000 ] - [ 0.0004965100000000, 0.0000856000000000, 0.0004012300000000 ] - [ -0.0003222400000000, -0.0006831300000000, -0.0009312700000000 ] - [ 0.0000652300000000, 0.0001136900000000, -0.0001295900000000 ] - [ -0.0000625600000000, -0.0001250300000000, -0.0001968300000000 ] - [ 0.0028627900000000, 0.0030889500000000, 0.0008366400000000 ] - [ 0.0004208200000000, -0.0000132100000000, -0.0000738000000000 ] - [ -0.0003868100000000, 0.0003225600000000, -0.0010082900000000 ] - [ 0.0012791700000000, -0.0010148700000000, 0.0039879700000000 ] - [ -0.0005543200000000, 0.0000120400000000, 0.0003463300000000 ] - [ -0.0001947900000000, 0.0045056300000000, 0.0000095500000000 ] - [ -0.0000902000000000, 0.0000612200000000, -0.0000898600000000 ] - [ -0.0019127800000000, 0.0088143000000000, -0.0031207800000000 ] - [ -0.0000313300000000, 0.0000698600000000, -0.0002488600000000 ] - [ -0.0001352100000000, 0.0003155300000000, 0.0003226000000000 ] - [ -0.0327758600000000, -0.0115379000000000, -0.0107177900000000 ]- atom: 11 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0008585900000000, 0.0031660900000000, 0.0018293500000000 ] - [ 0.0000875200000000, 0.0000397500000000, -0.0001261500000000 ] - [ -0.0033535400000000, 0.0009855300000000, 0.0051814700000000 ] - [ 0.0064154700000000, -0.0035289300000000, -0.0053046900000000 ] - [ -0.0003672100000000, -0.0011234100000000, 0.0004987500000000 ] - [ -0.0000323800000000, -0.0000499500000000, -0.0003416400000000 ] - [ -0.0000116600000000, -0.0000094700000000, -0.0003719600000000 ] - [ -0.0154969900000000, 0.0066209400000000, 0.0101234300000000 ] - [ -0.0008292300000000, -0.0018841800000000, -0.0006318800000000 ] - [ -0.0248297800000000, 0.0027255100000000, -0.0113461700000000 ] - [ 0.0770520000000000, -0.1796920100000000, -0.0083692600000000 ] - [ -0.0000072000000000, 0.0000092200000000, 0.0000781800000000 ] - [ -0.0000613200000000, -0.0000459000000000, -0.0027519800000000 ] - [ -0.0203485900000000, 0.0002790900000000, -0.0094698200000000 ] - [ 0.0001335000000000, -0.0003551600000000, -0.0001657600000000 ] - [ -0.0002236400000000, 0.0003038300000000, -0.0001968000000000 ] - [ 0.0004965200000000, 0.0013652400000000, 0.0007769000000000 ] - [ 0.0000662400000000, -0.0001168700000000, -0.0004210900000000 ] - [ 0.0004030900000000, 0.0005133400000000, 0.0002386100000000 ] - [ -0.0013855900000000, -0.0001952000000000, 0.0008054100000000 ] - [ 0.0002433600000000, 0.0000586000000000, -0.0000528900000000 ] - [ -0.0009822100000000, 0.0027024600000000, 0.0000266500000000 ] - [ -0.0000839900000000, 0.0002618200000000, -0.0000558700000000 ] - [ 0.0025801200000000, -0.0003686700000000, -0.0008512800000000 ] - [ -0.0007689800000000, 0.0054282000000000, 0.0020878600000000 ] - [ -0.0002418000000000, 0.0000436000000000, 0.0000794200000000 ] - [ 0.0000906000000000, -0.0004282800000000, 0.0022630000000000 ] - [ -0.0000613000000000, -0.0000210500000000, -0.0005304600000000 ] - [ -0.0000841600000000, -0.0019677600000000, -0.0003739000000000 ] - [ -0.0068927700000000, 0.0107219300000000, -0.0004301800000000 ] - [ -0.0000062500000000, -0.0000506900000000, -0.0003708900000000 ] - [ -0.0007501700000000, 0.0053690300000000, -0.0025294700000000 ] - [ 0.0090725700000000, 0.0408091900000000, 0.0053290500000000 ] - [ 0.0006660300000000, -0.0019767000000000, -0.0027117900000000 ] - [ 0.0004683800000000, -0.0001780200000000, -0.0002357100000000 ] - [ 0.0000309700000000, 0.0000056200000000, 0.0000996900000000 ] - [ 0.0000130100000000, 0.0002974200000000, 0.0003128900000000 ] - [ -0.0058308400000000, -0.0006852100000000, 0.0009695300000000 ] - [ 0.0000660500000000, 0.0000650200000000, -0.0004549400000000 ] - [ -0.0003529300000000, -0.0003756300000000, -0.0001641000000000 ] - [ 0.0001943400000000, -0.0002756200000000, -0.0003119000000000 ] - [ -0.0002669800000000, 0.0005621100000000, -0.0001249200000000 ] - [ 0.0002702000000000, -0.0000437100000000, -0.0000472600000000 ] - [ 0.0019997100000000, -0.0033758800000000, 0.0110842100000000 ] - [ 0.0001335800000000, 0.0002347700000000, -0.0005265800000000 ] - [ 0.0000371000000000, 0.0000600700000000, -0.0004532200000000 ] - [ -0.0009407100000000, 0.0016329600000000, -0.0009834700000000 ] - [ -0.0001755300000000, 0.0001826600000000, -0.0000555900000000 ] - [ 0.0084246600000000, -0.0148462900000000, -0.0077355700000000 ] - [ 0.0003599900000000, 0.0003646500000000, 0.0000701400000000 ] - [ -0.0002600100000000, 0.0001177500000000, 0.0001892300000000 ] - [ -0.0000133000000000, -0.0003978200000000, 0.0003198100000000 ] - [ 0.0000423100000000, -0.0000548500000000, -0.0004816200000000 ] - [ 0.0211643500000000, -0.0079444100000000, -0.0116968200000000 ] - [ -0.0001408200000000, 0.0000633800000000, -0.0000578500000000 ] - [ 0.0031451400000000, 0.0040242100000000, 0.0002988600000000 ] - [ -0.0014345000000000, 0.0024090800000000, 0.0005885400000000 ] - [ 0.0000138900000000, 0.0001434200000000, -0.0004794700000000 ] - [ 0.0000430300000000, 0.0000808500000000, -0.0004281700000000 ] - [ 0.0002080300000000, -0.0005008200000000, -0.0003091500000000 ] - [ 0.0085562100000000, -0.0147773800000000, -0.0085673800000000 ] - [ -0.0000982700000000, -0.0000158600000000, -0.0004703800000000 ] - [ 0.0000287300000000, -0.0000454600000000, -0.0004312900000000 ] - [ -0.0000937500000000, -0.0000124600000000, -0.0004079200000000 ] - [ -0.0000143800000000, 0.0003669900000000, -0.0002026700000000 ] - [ -0.0001626600000000, -0.0001932700000000, -0.0000533500000000 ] - [ -0.0000813100000000, -0.0002634700000000, -0.0000560300000000 ] - [ -0.0000528700000000, 0.0000237200000000, -0.0001826700000000 ] - [ 0.0075746100000000, 0.0409711500000000, 0.0035455000000000 ] - [ -0.0000247000000000, -0.0000220500000000, 0.0001089700000000 ] - [ 0.0035564100000000, 0.0048233400000000, 0.0002209300000000 ] - [ -0.0002786800000000, -0.0003708000000000, 0.0002326400000000 ] - [ 0.0008417700000000, -0.0070216100000000, -0.0007183000000000 ] - [ 0.0002395700000000, -0.0005549800000000, 0.0009138500000000 ] - [ -0.0000734800000000, 0.0001243200000000, -0.0000475700000000 ] - [ 0.0000059000000000, -0.0000078700000000, -0.0001839300000000 ] - [ -0.0036461000000000, -0.0015167600000000, 0.0001533700000000 ] - [ -0.0004913200000000, 0.0006091800000000, 0.0007852800000000 ] - [ 0.0001308800000000, -0.0001940000000000, -0.0000264700000000 ] - [ 0.0001792700000000, 0.0001679400000000, 0.0001478300000000 ] - [ -0.0002446700000000, 0.0000782000000000, 0.0000960700000000 ] - [ 0.0000553300000000, 0.0000278300000000, -0.0000998500000000 ] - [ -0.0002392200000000, -0.0006345200000000, 0.0005611000000000 ] - [ 0.0000284300000000, 0.0000349500000000, -0.0002481600000000 ] - [ 0.0039676600000000, -0.0006018800000000, 0.0002903000000000 ] - [ -0.0000503000000000, -0.0016423900000000, -0.0025958100000000 ] - [ -0.0222252600000000, 0.0201786500000000, 0.0098403600000000 ] - [ 0.0003652200000000, -0.0004316700000000, 0.0000274800000000 ] - [ 0.0001310300000000, 0.0000076900000000, -0.0000266400000000 ] - [ -0.0222950700000000, 0.0420633900000000, -0.0168495500000000 ] - [ 0.0022613800000000, 0.0013066000000000, -0.0003878400000000 ] - [ -0.0000100300000000, 0.0000688600000000, -0.0000893200000000 ] - [ -0.0001874300000000, 0.0000701700000000, 0.0006836600000000 ] - [ -0.0023911900000000, 0.0056460500000000, 0.0002161400000000 ] - [ -0.0001123300000000, 0.0022897900000000, -0.0017033200000000 ] - [ -0.0010394900000000, -0.0007387000000000, -0.0000493100000000 ] - [ 0.0010341400000000, 0.0004688400000000, 0.0003861000000000 ] - [ -0.0001984200000000, 0.0003456000000000, 0.0001575400000000 ] - [ 0.0000377600000000, -0.0000655400000000, 0.0002629800000000 ] - [ -0.0001063000000000, 0.0000870300000000, -0.0000373700000000 ] - [ 0.0000898600000000, -0.0002583900000000, 0.0002646300000000 ] - [ 0.0034519300000000, -0.0077487100000000, -0.0045828200000000 ] - [ 0.0000895600000000, 0.0000726000000000, 0.0000386600000000 ] - [ -0.0000050600000000, -0.0001343600000000, 0.0000704900000000 ] - [ -0.0000021300000000, 0.0000017700000000, -0.0001747100000000 ] - [ 0.0000193500000000, 0.0000906100000000, -0.0000363600000000 ] - [ -0.0001149200000000, -0.0000185000000000, 0.0000457400000000 ] - [ -0.0017417000000000, 0.0009800400000000, -0.0015201300000000 ] - [ 0.0037160500000000, 0.0052425100000000, 0.0019525900000000 ] - [ -0.0000447100000000, -0.0000118700000000, -0.0000845400000000 ] - [ 0.0033549700000000, 0.0022369300000000, 0.0003358200000000 ] - [ -0.0000039900000000, 0.0000021100000000, -0.0001822800000000 ] - [ 0.0000620200000000, -0.0002291200000000, 0.0004815300000000 ] - [ 0.0000700400000000, 0.0001052300000000, -0.0000976900000000 ] - [ -0.0001129000000000, 0.0000352000000000, 0.0000352900000000 ] - [ 0.0000050300000000, 0.0000073900000000, 0.0002609200000000 ] - [ -0.0001472200000000, -0.0002134200000000, -0.0002326800000000 ] - [ 0.0015202700000000, -0.0005927800000000, -0.0040174400000000 ] - [ -0.0001915000000000, 0.0003295100000000, 0.0002282300000000 ] - [ -0.0000899200000000, 0.0001047800000000, -0.0001992200000000 ] - [ 0.0063104100000000, -0.0049544200000000, -0.0007691600000000 ] - [ 0.0051844100000000, -0.0085278700000000, -0.0028771000000000 ] - [ 0.0046159000000000, 0.0051538100000000, 0.0008285700000000 ] - [ -0.0027800600000000, -0.0014365300000000, 0.0054588500000000 ] - [ -0.0010177300000000, -0.0011782700000000, -0.0001233600000000 ] - [ 0.0016122200000000, -0.0021352400000000, -0.0001240100000000 ] - [ 0.0000066800000000, -0.0001210900000000, 0.0000485900000000 ] - [ 0.0022872300000000, 0.0000116700000000, -0.0003251000000000 ] - [ 0.0003164800000000, 0.0002173100000000, -0.0002410900000000 ] - [ 0.0002813700000000, -0.0005143900000000, 0.0004164000000000 ] - [ 0.0001514900000000, 0.0001443000000000, 0.0005257200000000 ] - [ -0.0001823100000000, 0.0000392800000000, 0.0000352400000000 ] - [ -0.0038235700000000, 0.0018267800000000, 0.0116406500000000 ] - [ -0.0000213800000000, -0.0000713700000000, -0.0000909500000000 ] - [ 0.0009410100000000, -0.0080334600000000, -0.0005781500000000 ] - [ -0.0001370100000000, -0.0002949500000000, 0.0000433900000000 ] - [ -0.0127847900000000, 0.0155788200000000, -0.0030109400000000 ] - [ 0.0002192400000000, 0.0000757900000000, 0.0000604400000000 ] - [ 0.0000213100000000, -0.0000040800000000, 0.0002131900000000 ] - [ -0.0002545400000000, -0.0011630900000000, 0.0002337400000000 ] - [ -0.0000106500000000, -0.0000101500000000, 0.0002724500000000 ] - [ 0.0000916800000000, -0.0000802400000000, 0.0000595700000000 ] - [ -0.0074643600000000, -0.0021496900000000, 0.0027935700000000 ] - [ -0.0000916300000000, 0.0000513200000000, 0.0007174300000000 ] - [ -0.0001246200000000, -0.0002651400000000, -0.0004020900000000 ] - [ 0.0025346100000000, 0.0006943200000000, 0.0043516300000000 ] - [ 0.0000703600000000, -0.0000375600000000, -0.0000948600000000 ] - [ 0.0057454900000000, -0.0053907900000000, -0.0004956100000000 ] - [ 0.0007209400000000, -0.0008989900000000, 0.0000992600000000 ] - [ -0.0002334600000000, 0.0004003000000000, -0.0002720700000000 ] - [ 0.0000282800000000, 0.0001645200000000, 0.0000274200000000 ] - [ 0.0001602300000000, 0.0004206700000000, 0.0005756600000000 ] - [ -0.0002070100000000, -0.0003398900000000, 0.0002302000000000 ] - [ 0.0004041100000000, 0.0000091400000000, 0.0002249800000000 ] - [ -0.0000325300000000, 0.0001295100000000, 0.0001648500000000 ] - [ -0.0203255200000000, 0.0199874700000000, 0.0078665200000000 ] - [ 0.0000027900000000, -0.0004875300000000, 0.0001760800000000 ] - [ -0.0013083000000000, -0.0034132700000000, -0.0005825800000000 ] - [ 0.0004809600000000, 0.0001921400000000, -0.0007894300000000 ] - [ 0.0007240300000000, 0.0000989000000000, 0.0007508900000000 ] - [ -0.0000000400000000, -0.0004216400000000, -0.0008685500000000 ] - [ 0.0000358000000000, 0.0001152700000000, 0.0000481600000000 ] - [ -0.0000594100000000, -0.0001358000000000, -0.0000353300000000 ] - [ -0.0041416200000000, -0.0020947100000000, 0.0002898000000000 ] - [ 0.0003364500000000, -0.0000028300000000, 0.0000589400000000 ] - [ -0.0004913300000000, 0.0008951600000000, -0.0000663200000000 ] - [ 0.0041351300000000, 0.0003432000000000, 0.0063614300000000 ] - [ -0.0002727800000000, 0.0005815400000000, 0.0004663700000000 ] - [ -0.0012451700000000, -0.0041254500000000, -0.0003058900000000 ] - [ -0.0001183100000000, -0.0000783000000000, 0.0001102000000000 ] - [ -0.0067444000000000, -0.0006132500000000, 0.0034273500000000 ] - [ -0.0000469300000000, 0.0000322900000000, -0.0000709100000000 ] - [ -0.0003976300000000, 0.0000005600000000, -0.0002516800000000 ] - [ -0.0047323700000000, 0.0400099400000000, 0.0147158900000000 ]- atom: 11 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0009247800000000, -0.0032663300000000, -0.0018112100000000 ] - [ -0.0000870700000000, -0.0000398300000000, 0.0001255600000000 ] - [ 0.0033571600000000, -0.0009576600000000, -0.0047979600000000 ] - [ -0.0065323500000000, 0.0035598400000000, 0.0052702700000000 ] - [ 0.0004221300000000, 0.0012279300000000, -0.0004954300000000 ] - [ 0.0000322100000000, 0.0000498500000000, 0.0003404000000000 ] - [ 0.0000116300000000, 0.0000096700000000, -0.0000323800000000 ] - [ 0.0153830900000000, -0.0066944600000000, -0.0096796000000000 ] - [ 0.0005079300000000, 0.0022939000000000, 0.0004316600000000 ] - [ 0.0249166400000000, -0.0027875900000000, 0.0106345700000000 ] - [ -0.0778508200000000, 0.1815922500000000, 0.0060835400000000 ] - [ -0.0000095200000000, 0.0000330300000000, 0.0003494600000000 ] - [ 0.0000572500000000, 0.0000452200000000, 0.0036002200000000 ] - [ 0.0202754600000000, -0.0002518600000000, 0.0100141400000000 ] - [ -0.0003828900000000, 0.0003296100000000, 0.0000843300000000 ] - [ 0.0003204200000000, -0.0000766800000000, 0.0001157000000000 ] - [ -0.0006993000000000, -0.0008786400000000, -0.0009754000000000 ] - [ 0.0000019200000000, 0.0000002100000000, -0.0002064800000000 ] - [ -0.0007202200000000, -0.0009292800000000, -0.0004353200000000 ] - [ 0.0014485100000000, 0.0003247000000000, -0.0001492000000000 ] - [ 0.0002773300000000, 0.0000086700000000, 0.0002504300000000 ] - [ 0.0006816100000000, -0.0031978600000000, -0.0001230300000000 ] - [ -0.0001181500000000, 0.0002229000000000, 0.0002534400000000 ] - [ -0.0020530000000000, 0.0002938000000000, 0.0006532100000000 ] - [ 0.0008109300000000, -0.0053239700000000, -0.0014944200000000 ] - [ -0.0000367300000000, -0.0005260500000000, 0.0000173500000000 ] - [ -0.0000966200000000, 0.0004252600000000, -0.0026035600000000 ] - [ -0.0000978600000000, 0.0000155800000000, -0.0001242900000000 ] - [ -0.0000450500000000, 0.0019633500000000, 0.0009933500000000 ] - [ 0.0066498000000000, -0.0106910800000000, 0.0005089300000000 ] - [ 0.0000075900000000, 0.0000544900000000, -0.0002555200000000 ] - [ 0.0008272900000000, -0.0055148000000000, 0.0031738500000000 ] - [ -0.0090820000000000, -0.0414629600000000, -0.0052390100000000 ] - [ -0.0008626300000000, 0.0014832300000000, 0.0025110300000000 ] - [ 0.0000909700000000, 0.0001773900000000, 0.0003333700000000 ] - [ 0.0000138000000000, 0.0000011600000000, 0.0003279000000000 ] - [ -0.0002922900000000, 0.0001841300000000, -0.0002139600000000 ] - [ 0.0059419400000000, 0.0004579900000000, -0.0008899200000000 ] - [ -0.0000631400000000, -0.0000617900000000, -0.0001713900000000 ] - [ 0.0004552900000000, 0.0001479200000000, 0.0000831000000000 ] - [ -0.0002111100000000, 0.0003186200000000, -0.0001157900000000 ] - [ 0.0000273500000000, -0.0005410600000000, 0.0000448100000000 ] - [ 0.0002501700000000, -0.0000270300000000, 0.0002451400000000 ] - [ -0.0021579600000000, 0.0033777300000000, -0.0103886200000000 ] - [ 0.0000040200000000, -0.0004297900000000, 0.0004445300000000 ] - [ 0.0000408800000000, 0.0000751100000000, -0.0001996000000000 ] - [ 0.0014579600000000, -0.0015645200000000, 0.0007796100000000 ] - [ -0.0001458300000000, 0.0002326600000000, 0.0002534100000000 ] - [ -0.0088371700000000, 0.0147365900000000, 0.0078074000000000 ] - [ -0.0003570500000000, -0.0003710800000000, -0.0004096300000000 ] - [ 0.0003534100000000, 0.0000470700000000, 0.0003768700000000 ] - [ -0.0001780100000000, 0.0003983400000000, 0.0002464200000000 ] - [ 0.0000539000000000, -0.0001102700000000, -0.0000851900000000 ] - [ -0.0210148200000000, 0.0077109100000000, 0.0123459400000000 ] - [ 0.0001204000000000, -0.0000972300000000, -0.0003682700000000 ] - [ -0.0031378300000000, -0.0040051900000000, 0.0003219300000000 ] - [ 0.0015539100000000, -0.0021727700000000, -0.0005062500000000 ] - [ 0.0000532400000000, -0.0000269500000000, -0.0001476500000000 ] - [ 0.0000523100000000, 0.0000844200000000, -0.0001387900000000 ] - [ -0.0000597800000000, 0.0006969600000000, 0.0002255100000000 ] - [ -0.0078695500000000, 0.0148575100000000, 0.0084770700000000 ] - [ -0.0000365000000000, 0.0000167000000000, -0.0001569400000000 ] - [ 0.0000461300000000, -0.0000952400000000, -0.0002229800000000 ] - [ -0.0000974100000000, 0.0000131100000000, -0.0001587400000000 ] - [ 0.0001111100000000, -0.0005315900000000, 0.0007666300000000 ] - [ -0.0001571600000000, -0.0002241400000000, 0.0002496600000000 ] - [ -0.0001201800000000, -0.0002223600000000, 0.0002522700000000 ] - [ 0.0000978200000000, -0.0000164300000000, -0.0002460000000000 ] - [ -0.0076788100000000, -0.0399684300000000, -0.0036098600000000 ] - [ 0.0000038000000000, -0.0000139200000000, 0.0003154900000000 ] - [ -0.0035604800000000, -0.0048507500000000, 0.0001248500000000 ] - [ 0.0000627400000000, 0.0004828200000000, -0.0006429000000000 ] - [ -0.0007908900000000, 0.0069072000000000, -0.0001348800000000 ] - [ -0.0000821800000000, 0.0003799700000000, -0.0007805400000000 ] - [ -0.0000739900000000, 0.0001317600000000, -0.0002166700000000 ] - [ -0.0000240400000000, -0.0000235600000000, -0.0003530300000000 ] - [ 0.0037306300000000, 0.0013220400000000, -0.0000844100000000 ] - [ 0.0004728900000000, -0.0005751700000000, -0.0002472600000000 ] - [ -0.0000203200000000, 0.0000137000000000, -0.0000401700000000 ] - [ 0.0000381100000000, 0.0002080300000000, -0.0001471800000000 ] - [ -0.0002021300000000, -0.0000807300000000, -0.0000947700000000 ] - [ 0.0000602100000000, -0.0000313900000000, -0.0002692000000000 ] - [ 0.0003123800000000, 0.0004077700000000, -0.0004320700000000 ] - [ 0.0001714400000000, 0.0001020200000000, -0.0001699200000000 ] - [ -0.0039537600000000, 0.0008574000000000, 0.0001203200000000 ] - [ 0.0000083500000000, 0.0017342800000000, 0.0029614300000000 ] - [ 0.0215000400000000, -0.0203762000000000, -0.0090573800000000 ] - [ -0.0003789300000000, 0.0004037100000000, 0.0005104800000000 ] - [ 0.0001644100000000, -0.0000073500000000, -0.0002376000000000 ] - [ 0.0245193400000000, -0.0450898700000000, 0.0194654000000000 ] - [ -0.0021783900000000, -0.0011936200000000, -0.0004779300000000 ] - [ -0.0000508900000000, 0.0000293900000000, -0.0002798300000000 ] - [ 0.0000598800000000, -0.0000727500000000, 0.0001880800000000 ] - [ 0.0023287800000000, -0.0057245700000000, 0.0001453100000000 ] - [ 0.0002321900000000, -0.0022778700000000, 0.0020567000000000 ] - [ 0.0010403400000000, 0.0007397600000000, -0.0002707300000000 ] - [ -0.0010924700000000, -0.0003709100000000, -0.0000133000000000 ] - [ -0.0001242000000000, 0.0002195600000000, -0.0001582400000000 ] - [ -0.0000072600000000, 0.0001174900000000, -0.0001772800000000 ] - [ -0.0001077900000000, -0.0000916000000000, -0.0000287300000000 ] - [ 0.0001311500000000, -0.0001299000000000, -0.0002628100000000 ] - [ -0.0034269000000000, 0.0078540600000000, 0.0045321000000000 ] - [ 0.0000715500000000, 0.0001059000000000, -0.0001675100000000 ] - [ 0.0001074600000000, -0.0000534400000000, -0.0001368200000000 ] - [ -0.0000147100000000, 0.0000270400000000, -0.0003639700000000 ] - [ 0.0000903100000000, 0.0000880000000000, -0.0000314200000000 ] - [ -0.0001158500000000, -0.0000297100000000, -0.0001729000000000 ] - [ 0.0020298100000000, -0.0009767400000000, 0.0017794300000000 ] - [ -0.0036078800000000, -0.0050375700000000, -0.0018920600000000 ] - [ -0.0000037000000000, -0.0000893900000000, -0.0002836300000000 ] - [ -0.0031175600000000, -0.0022473900000000, -0.0003288200000000 ] - [ 0.0000374300000000, -0.0000023000000000, -0.0003563800000000 ] - [ -0.0000005600000000, 0.0001176700000000, 0.0003892000000000 ] - [ 0.0000895100000000, 0.0000727300000000, 0.0002259400000000 ] - [ -0.0001178900000000, 0.0000134700000000, -0.0001647000000000 ] - [ -0.0000057400000000, -0.0000056000000000, 0.0000594400000000 ] - [ -0.0002566500000000, -0.0004872300000000, -0.0000868500000000 ] - [ -0.0015222100000000, 0.0006138200000000, 0.0040216900000000 ] - [ -0.0002184800000000, 0.0003649300000000, 0.0000899300000000 ] - [ -0.0003198100000000, 0.0005881300000000, -0.0001182900000000 ] - [ -0.0066613200000000, 0.0055524900000000, 0.0011215400000000 ] - [ -0.0049536200000000, 0.0083561600000000, 0.0032627500000000 ] - [ -0.0049817000000000, -0.0057816300000000, -0.0004602300000000 ] - [ 0.0026302600000000, 0.0016907300000000, -0.0051852900000000 ] - [ 0.0010172600000000, 0.0011797800000000, 0.0001223800000000 ] - [ -0.0014983100000000, 0.0021417000000000, 0.0005055200000000 ] - [ 0.0000667200000000, -0.0001028900000000, -0.0001756400000000 ] - [ -0.0023490600000000, -0.0000145300000000, 0.0002432900000000 ] - [ 0.0004895100000000, -0.0002256700000000, -0.0000767700000000 ] - [ -0.0006247800000000, 0.0011199700000000, -0.0007868400000000 ] - [ -0.0000911200000000, -0.0000398500000000, 0.0003450800000000 ] - [ 0.0002180100000000, -0.0000381700000000, 0.0005038700000000 ] - [ 0.0030297900000000, -0.0008587000000000, -0.0122147700000000 ] - [ -0.0000422200000000, -0.0000212100000000, -0.0002773400000000 ] - [ -0.0010567100000000, 0.0078051000000000, 0.0005801300000000 ] - [ -0.0001816100000000, -0.0002571700000000, -0.0000428300000000 ] - [ 0.0125494900000000, -0.0158820900000000, 0.0019600600000000 ] - [ 0.0000378900000000, -0.0000778500000000, -0.0000731500000000 ] - [ -0.0000784300000000, 0.0000048800000000, -0.0001284500000000 ] - [ 0.0001875700000000, 0.0010673800000000, 0.0001382400000000 ] - [ 0.0000124900000000, 0.0000104400000000, 0.0000480300000000 ] - [ 0.0000659700000000, -0.0000952900000000, -0.0001888500000000 ] - [ 0.0072782600000000, 0.0022663200000000, -0.0023783200000000 ] - [ 0.0007908200000000, -0.0000462700000000, -0.0010839200000000 ] - [ 0.0001370100000000, 0.0000252000000000, -0.0000149200000000 ] - [ -0.0025327500000000, -0.0006932100000000, -0.0046627200000000 ] - [ 0.0000463100000000, 0.0000411200000000, -0.0002762600000000 ] - [ -0.0056253600000000, 0.0052206000000000, 0.0005746900000000 ] - [ -0.0008632600000000, 0.0006441300000000, 0.0001690900000000 ] - [ 0.0001030500000000, -0.0001772400000000, 0.0002608100000000 ] - [ 0.0000710500000000, 0.0000196000000000, -0.0000951000000000 ] - [ -0.0005069200000000, -0.0010221200000000, -0.0009415900000000 ] - [ -0.0001965100000000, -0.0003591600000000, 0.0000900200000000 ] - [ 0.0004024100000000, -0.0000170300000000, 0.0000930200000000 ] - [ 0.0000621200000000, -0.0001782500000000, -0.0000793600000000 ] - [ 0.0204752200000000, -0.0199498300000000, -0.0080879300000000 ] - [ -0.0001326900000000, 0.0002611600000000, -0.0001878700000000 ] - [ 0.0011153900000000, 0.0034117000000000, 0.0006545400000000 ] - [ -0.0004624800000000, 0.0000492800000000, 0.0003721000000000 ] - [ -0.0006485400000000, 0.0001269400000000, -0.0006190900000000 ] - [ 0.0002059400000000, 0.0002936500000000, 0.0004563800000000 ] - [ 0.0000383300000000, 0.0001135200000000, -0.0001770200000000 ] - [ -0.0000882900000000, -0.0001201500000000, -0.0002285500000000 ] - [ 0.0043618900000000, 0.0022409600000000, 0.0001229100000000 ] - [ 0.0003142600000000, 0.0000059400000000, -0.0000593800000000 ] - [ 0.0002754500000000, -0.0010027800000000, -0.0003477000000000 ] - [ -0.0041333600000000, -0.0003395600000000, -0.0063728000000000 ] - [ 0.0000377800000000, -0.0006293100000000, -0.0003390000000000 ] - [ 0.0012422200000000, 0.0038974400000000, 0.0007139900000000 ] - [ -0.0000926000000000, 0.0000836200000000, -0.0001767200000000 ] - [ 0.0068244100000000, 0.0007978000000000, -0.0033668500000000 ] - [ -0.0000082100000000, 0.0000704800000000, -0.0003001300000000 ] - [ 0.0001668600000000, 0.0000487800000000, 0.0003816500000000 ] - [ 0.0051194900000000, -0.0390828700000000, -0.0141608900000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001654500000000, 0.0007919700000000, 0.0002040800000000 ] - [ -0.0000087100000000, -0.0000064000000000, 0.0023412900000000 ] - [ -0.0049792100000000, 0.0044805500000000, 0.0034960600000000 ] - [ -0.0042998500000000, -0.0070557500000000, 0.0141400900000000 ] - [ 0.0008529800000000, 0.0006496800000000, 0.0002034500000000 ] - [ 0.0000996200000000, -0.0000752000000000, 0.0024966500000000 ] - [ 0.0000365300000000, -0.0000117400000000, 0.0016420000000000 ] - [ -0.0114206000000000, 0.0117535300000000, 0.0007595400000000 ] - [ 0.0012450300000000, 0.0003298900000000, 0.0015132100000000 ] - [ 0.0167795800000000, -0.0040935500000000, 0.0000943500000000 ] - [ 0.0210386400000000, 0.0041056100000000, -0.1774147900000000 ] - [ 0.0000091200000000, -0.0000393700000000, 0.0023171400000000 ] - [ 0.0006473200000000, -0.0001208800000000, 0.0031961300000000 ] - [ 0.0151596400000000, -0.0017677200000000, 0.0000287500000000 ] - [ 0.0000548100000000, 0.0002342100000000, 0.0017701700000000 ] - [ 0.0002037200000000, 0.0001117700000000, 0.0016199500000000 ] - [ 0.0003472100000000, 0.0011564300000000, 0.0013776200000000 ] - [ 0.0000607500000000, 0.0000221700000000, 0.0018222600000000 ] - [ 0.0002600000000000, 0.0004361900000000, 0.0011359500000000 ] - [ -0.0022956200000000, -0.0007550700000000, -0.0008845600000000 ] - [ 0.0002779000000000, -0.0000958900000000, 0.0022799600000000 ] - [ -0.0002197100000000, -0.0001437900000000, -0.0091754100000000 ] - [ -0.0002279600000000, 0.0001843800000000, 0.0022838900000000 ] - [ -0.0006300300000000, -0.0014926300000000, 0.0018346600000000 ] - [ -0.0005470000000000, 0.0013960500000000, -0.0022133300000000 ] - [ -0.0002046400000000, -0.0001487900000000, 0.0016778100000000 ] - [ -0.0004417700000000, 0.0004842700000000, 0.0025158000000000 ] - [ -0.0001846900000000, -0.0000154000000000, 0.0017886300000000 ] - [ 0.0013690300000000, 0.0001053400000000, -0.0020620300000000 ] - [ 0.0002197800000000, -0.0012562700000000, -0.0098120300000000 ] - [ -0.0000806400000000, 0.0000768800000000, 0.0018118400000000 ] - [ 0.0001756100000000, -0.0032124000000000, -0.0005871500000000 ] - [ -0.0088703100000000, -0.0009745500000000, -0.0261243700000000 ] - [ 0.0016599700000000, -0.0029675700000000, 0.0046848300000000 ] - [ -0.0003624000000000, -0.0001222700000000, 0.0022445600000000 ] - [ -0.0000750500000000, 0.0000117200000000, 0.0022049000000000 ] - [ -0.0000555800000000, 0.0005302300000000, 0.0018340400000000 ] - [ -0.0004176000000000, -0.0000526300000000, -0.0098131900000000 ] - [ -0.0000307300000000, -0.0000558400000000, 0.0017454600000000 ] - [ 0.0001355600000000, -0.0002330800000000, 0.0017196200000000 ] - [ -0.0005253300000000, 0.0002288300000000, 0.0023329200000000 ] - [ -0.0002628900000000, -0.0000487300000000, 0.0017194900000000 ] - [ 0.0002714600000000, 0.0000877300000000, 0.0022821000000000 ] - [ 0.0058894100000000, 0.0084028800000000, 0.0144313400000000 ] - [ 0.0002578100000000, -0.0007680700000000, 0.0021806100000000 ] - [ 0.0000925200000000, 0.0001461000000000, 0.0016267500000000 ] - [ 0.0009017900000000, -0.0006886300000000, 0.0012337800000000 ] - [ -0.0000555500000000, 0.0002958600000000, 0.0022889400000000 ] - [ 0.0042154300000000, -0.0064830400000000, -0.0278058500000000 ] - [ -0.0003067500000000, -0.0005177300000000, 0.0006840500000000 ] - [ -0.0000557500000000, 0.0000416200000000, 0.0021848100000000 ] - [ 0.0000649100000000, 0.0005716200000000, 0.0027975800000000 ] - [ 0.0000078000000000, -0.0000309400000000, 0.0018356200000000 ] - [ -0.0124631600000000, -0.0215632500000000, 0.0229227000000000 ] - [ -0.0001438200000000, 0.0003046300000000, 0.0017230100000000 ] - [ 0.0003600800000000, 0.0008418400000000, -0.0023893200000000 ] - [ 0.0005965400000000, -0.0001561800000000, -0.0089957700000000 ] - [ 0.0000331500000000, 0.0000064900000000, 0.0017595300000000 ] - [ -0.0000000600000000, 0.0000069200000000, 0.0018158700000000 ] - [ 0.0002542600000000, 0.0005107200000000, 0.0023956600000000 ] - [ 0.0033783000000000, -0.0081831100000000, -0.0260442700000000 ] - [ -0.0000944200000000, -0.0000137300000000, 0.0017606100000000 ] - [ 0.0000804800000000, -0.0001375800000000, 0.0016278900000000 ] - [ -0.0000159800000000, 0.0000091500000000, 0.0019036400000000 ] - [ 0.0000616200000000, -0.0003641600000000, 0.0022599900000000 ] - [ -0.0000554100000000, -0.0002966500000000, 0.0022798300000000 ] - [ -0.0002246900000000, -0.0001811400000000, 0.0023074200000000 ] - [ -0.0000768500000000, 0.0000591600000000, 0.0015876400000000 ] - [ -0.0078299900000000, 0.0015855000000000, -0.0255717400000000 ] - [ 0.0000172600000000, 0.0000731300000000, 0.0022360200000000 ] - [ 0.0005578400000000, 0.0009537000000000, -0.0019543400000000 ] - [ 0.0002985000000000, 0.0007651200000000, -0.0021096200000000 ] - [ -0.0001420900000000, 0.0038285900000000, 0.0053433000000000 ] - [ -0.0000705000000000, 0.0004804300000000, -0.0013361900000000 ] - [ -0.0001154800000000, 0.0001701500000000, -0.0015719300000000 ] - [ -0.0001807500000000, -0.0003071700000000, -0.0016345800000000 ] - [ -0.0032462000000000, -0.0013406400000000, 0.0040763200000000 ] - [ 0.0007176100000000, 0.0003954900000000, -0.0019018100000000 ] - [ 0.0000283200000000, -0.0000254900000000, -0.0013571900000000 ] - [ 0.0001103000000000, 0.0002085000000000, -0.0018432800000000 ] - [ -0.0002623900000000, -0.0000961400000000, -0.0020140700000000 ] - [ 0.0000657900000000, -0.0002404400000000, -0.0015078100000000 ] - [ -0.0000247200000000, 0.0003184000000000, -0.0011034300000000 ] - [ -0.0000056600000000, 0.0001670700000000, -0.0010137700000000 ] - [ 0.0037022700000000, -0.0016192700000000, 0.0043968800000000 ] - [ 0.0005082200000000, -0.0031882700000000, -0.0011688100000000 ] - [ -0.0146657200000000, 0.0022001700000000, 0.0333702200000000 ] - [ 0.0002005900000000, -0.0000882500000000, -0.0007197700000000 ] - [ 0.0002348300000000, 0.0000041300000000, -0.0015844900000000 ] - [ 0.0114326500000000, -0.0149820700000000, 0.0359670300000000 ] - [ 0.0035001300000000, 0.0013687400000000, 0.0049482000000000 ] - [ -0.0002195900000000, -0.0000520500000000, -0.0014974800000000 ] - [ 0.0000032300000000, 0.0000512100000000, -0.0013783300000000 ] - [ -0.0011134300000000, 0.0007936600000000, -0.0076486900000000 ] - [ 0.0023515400000000, 0.0022285800000000, -0.0016879800000000 ] - [ -0.0000535100000000, 0.0000767700000000, 0.0001242600000000 ] - [ 0.0001418000000000, -0.0000259300000000, 0.0009001300000000 ] - [ -0.0000955600000000, 0.0002698600000000, -0.0019993400000000 ] - [ -0.0000952500000000, 0.0000492300000000, -0.0014450600000000 ] - [ -0.0000245600000000, -0.0001144200000000, -0.0015219200000000 ] - [ 0.0001270300000000, -0.0001490600000000, -0.0018843300000000 ] - [ 0.0013863200000000, -0.0015529600000000, 0.0073710600000000 ] - [ -0.0000304100000000, 0.0002842500000000, -0.0015396500000000 ] - [ 0.0001464400000000, -0.0000062600000000, -0.0014111800000000 ] - [ -0.0001824500000000, 0.0003164300000000, -0.0016662400000000 ] - [ -0.0000493200000000, -0.0000898600000000, -0.0013797500000000 ] - [ -0.0002297500000000, 0.0001748300000000, -0.0015718300000000 ] - [ -0.0023554800000000, -0.0006404100000000, -0.0009712900000000 ] - [ -0.0034025800000000, -0.0002265900000000, 0.0071943400000000 ] - [ 0.0001579300000000, -0.0001978200000000, -0.0015485100000000 ] - [ 0.0031593100000000, 0.0018375100000000, 0.0047496900000000 ] - [ 0.0003518200000000, -0.0000029300000000, -0.0016299100000000 ] - [ -0.0000375000000000, -0.0000521400000000, -0.0010507200000000 ] - [ 0.0004310300000000, 0.0002466200000000, -0.0011269200000000 ] - [ -0.0002306400000000, -0.0001843600000000, -0.0015634300000000 ] - [ 0.0000108500000000, -0.0000050700000000, -0.0015023700000000 ] - [ 0.0000567400000000, -0.0003694800000000, -0.0011640400000000 ] - [ 0.0021090000000000, -0.0021131800000000, -0.0025782200000000 ] - [ -0.0001905400000000, 0.0003368100000000, -0.0008889500000000 ] - [ -0.0000909000000000, 0.0002579700000000, -0.0011309700000000 ] - [ -0.0036760500000000, 0.0026409700000000, 0.0041832900000000 ] - [ 0.0015738800000000, -0.0042531200000000, 0.0070422100000000 ] - [ -0.0044261200000000, -0.0016015800000000, 0.0071738200000000 ] - [ 0.0008731300000000, 0.0029863000000000, -0.0018456100000000 ] - [ 0.0000961300000000, 0.0001649200000000, 0.0003967300000000 ] - [ -0.0003042200000000, 0.0001670600000000, 0.0008469300000000 ] - [ 0.0002619100000000, -0.0001059100000000, -0.0015411600000000 ] - [ 0.0010354900000000, -0.0005329600000000, 0.0047614000000000 ] - [ 0.0005420200000000, -0.0003557500000000, -0.0015119500000000 ] - [ -0.0005103400000000, 0.0007672500000000, -0.0014547200000000 ] - [ 0.0000322500000000, -0.0000206500000000, -0.0010505300000000 ] - [ -0.0006074000000000, -0.0000801900000000, -0.0007828300000000 ] - [ -0.0042792200000000, 0.0111066500000000, 0.0142060800000000 ] - [ -0.0002259700000000, 0.0000524200000000, -0.0014937000000000 ] - [ 0.0000597600000000, 0.0031863700000000, 0.0048051500000000 ] - [ -0.0001447900000000, -0.0003516100000000, -0.0017871900000000 ] - [ -0.0014617100000000, -0.0024278900000000, 0.0260255400000000 ] - [ 0.0003590300000000, 0.0000840400000000, -0.0010415600000000 ] - [ 0.0000962600000000, 0.0000090700000000, -0.0013699200000000 ] - [ 0.0000895700000000, -0.0000173100000000, 0.0008476200000000 ] - [ 0.0000016500000000, 0.0000004400000000, -0.0014871800000000 ] - [ -0.0000328800000000, -0.0002728200000000, -0.0015558900000000 ] - [ 0.0014722300000000, 0.0024462500000000, 0.0079243100000000 ] - [ 0.0000865400000000, 0.0000892100000000, -0.0022599100000000 ] - [ 0.0001428000000000, -0.0001464200000000, -0.0010132200000000 ] - [ -0.0024517300000000, 0.0004986000000000, -0.0021606400000000 ] - [ 0.0000691200000000, 0.0002342900000000, -0.0014976700000000 ] - [ -0.0028680100000000, 0.0017702700000000, 0.0044585500000000 ] - [ -0.0000288900000000, -0.0003167800000000, 0.0005942300000000 ] - [ -0.0002547300000000, -0.0002148100000000, -0.0015020300000000 ] - [ 0.0001594700000000, 0.0000391300000000, -0.0014500800000000 ] - [ -0.0005590300000000, -0.0007342400000000, -0.0014221800000000 ] - [ -0.0001611800000000, -0.0003425400000000, -0.0009020200000000 ] - [ 0.0003947900000000, -0.0000281400000000, -0.0009224600000000 ] - [ -0.0001403800000000, 0.0000158600000000, -0.0015558600000000 ] - [ -0.0148979300000000, 0.0016626600000000, 0.0397744100000000 ] - [ -0.0000965800000000, 0.0000872200000000, -0.0010385500000000 ] - [ 0.0003265800000000, -0.0024489200000000, 0.0040213100000000 ] - [ 0.0005214600000000, 0.0000648600000000, -0.0014654500000000 ] - [ -0.0005463100000000, 0.0001749400000000, -0.0011950000000000 ] - [ -0.0000501300000000, -0.0005629700000000, -0.0014397700000000 ] - [ 0.0002515500000000, 0.0001118500000000, -0.0015501400000000 ] - [ -0.0001106200000000, -0.0001754200000000, -0.0015566200000000 ] - [ -0.0030356200000000, -0.0010709000000000, 0.0039545800000000 ] - [ 0.0003410500000000, -0.0000128700000000, -0.0017542600000000 ] - [ 0.0001210200000000, -0.0002788600000000, -0.0022546200000000 ] - [ -0.0030017100000000, 0.0007461900000000, -0.0027342000000000 ] - [ -0.0008520900000000, -0.0003507000000000, -0.0021969300000000 ] - [ 0.0004404200000000, -0.0033452200000000, 0.0040350300000000 ] - [ -0.0000663400000000, 0.0001150900000000, -0.0014030200000000 ] - [ 0.0013235700000000, 0.0042403400000000, 0.0087708900000000 ] - [ 0.0001511000000000, 0.0002099300000000, -0.0015286800000000 ] - [ -0.0002139400000000, -0.0001096900000000, -0.0011364400000000 ] - [ 0.0096877200000000, 0.0204688000000000, 0.0431380000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001059300000000, -0.0008899600000000, -0.0002166000000000 ] - [ 0.0000091400000000, 0.0000063700000000, -0.0023402600000000 ] - [ 0.0050107100000000, -0.0044876100000000, -0.0030952600000000 ] - [ 0.0041317000000000, 0.0069641300000000, -0.0140150900000000 ] - [ -0.0007911700000000, -0.0005443100000000, -0.0002149400000000 ] - [ -0.0001007000000000, 0.0000762500000000, -0.0024971800000000 ] - [ -0.0000362000000000, 0.0000116900000000, -0.0020454600000000 ] - [ 0.0113622600000000, -0.0117599000000000, -0.0004550600000000 ] - [ -0.0015737900000000, 0.0000841800000000, -0.0017063700000000 ] - [ -0.0167593200000000, 0.0040382600000000, -0.0009774900000000 ] - [ -0.0218553500000000, -0.0039051800000000, 0.1783628100000000 ] - [ -0.0000254800000000, 0.0000813300000000, -0.0018894000000000 ] - [ -0.0006448600000000, 0.0001171200000000, -0.0023519200000000 ] - [ -0.0151851900000000, 0.0018109100000000, 0.0006099100000000 ] - [ -0.0003002800000000, -0.0002593600000000, -0.0018508300000000 ] - [ -0.0001086500000000, 0.0001140700000000, -0.0017029800000000 ] - [ -0.0005486500000000, -0.0006727300000000, -0.0015702900000000 ] - [ 0.0000075200000000, -0.0001382900000000, -0.0024484700000000 ] - [ -0.0005807000000000, -0.0008551600000000, -0.0013275500000000 ] - [ 0.0023688300000000, 0.0008867300000000, 0.0015504600000000 ] - [ 0.0002428300000000, 0.0001631900000000, -0.0020817200000000 ] - [ -0.0000605200000000, -0.0003388500000000, 0.0090815100000000 ] - [ 0.0000257800000000, 0.0003001100000000, -0.0020855400000000 ] - [ 0.0011565400000000, 0.0014280600000000, -0.0020266700000000 ] - [ 0.0006110200000000, -0.0012826000000000, 0.0028472300000000 ] - [ -0.0000739600000000, -0.0003341200000000, -0.0015817500000000 ] - [ 0.0004323500000000, -0.0004831700000000, -0.0028535900000000 ] - [ 0.0000254100000000, 0.0000097700000000, -0.0024417600000000 ] - [ -0.0015041300000000, -0.0001092300000000, 0.0026972200000000 ] - [ -0.0004606300000000, 0.0012836300000000, 0.0099005300000000 ] - [ 0.0000812500000000, -0.0000724100000000, -0.0024375500000000 ] - [ -0.0001066400000000, 0.0030667000000000, 0.0012536200000000 ] - [ 0.0090119700000000, 0.0009047300000000, 0.0262130500000000 ] - [ -0.0018818800000000, 0.0025176700000000, -0.0049029900000000 ] - [ 0.0009179500000000, 0.0001220800000000, -0.0021435400000000 ] - [ 0.0001197900000000, -0.0000051300000000, -0.0017760600000000 ] - [ -0.0002252400000000, -0.0000441800000000, -0.0017348800000000 ] - [ 0.0005212200000000, -0.0001734800000000, 0.0098994100000000 ] - [ 0.0000333500000000, 0.0000586500000000, -0.0023710200000000 ] - [ -0.0000340600000000, 0.0000055100000000, -0.0018011100000000 ] - [ 0.0005135800000000, -0.0001879800000000, -0.0027654500000000 ] - [ 0.0000247100000000, 0.0000704600000000, -0.0018012200000000 ] - [ 0.0002489800000000, -0.0001582600000000, -0.0020834800000000 ] - [ -0.0061357500000000, -0.0085515600000000, -0.0138315900000000 ] - [ -0.0001176300000000, 0.0005698600000000, -0.0022595100000000 ] - [ -0.0000144000000000, -0.0000109800000000, -0.0022791700000000 ] - [ -0.0003829400000000, 0.0007606100000000, -0.0014266000000000 ] - [ -0.0002659400000000, 0.0001195000000000, -0.0020904000000000 ] - [ -0.0046031400000000, 0.0063731200000000, 0.0279000200000000 ] - [ 0.0003065100000000, 0.0005075800000000, -0.0010285800000000 ] - [ 0.0001510300000000, 0.0001239000000000, -0.0016167100000000 ] - [ -0.0002578300000000, -0.0005770000000000, -0.0022349200000000 ] - [ 0.0000882900000000, -0.0001340100000000, -0.0024010900000000 ] - [ 0.0127318900000000, 0.0217399700000000, -0.0225458700000000 ] - [ 0.0001250100000000, -0.0003424800000000, -0.0021463400000000 ] - [ -0.0003480100000000, -0.0008235900000000, 0.0030227000000000 ] - [ -0.0004982400000000, 0.0003808000000000, 0.0090831400000000 ] - [ 0.0000343000000000, 0.0001096800000000, -0.0023860300000000 ] - [ 0.0000954400000000, 0.0001583900000000, -0.0023814300000000 ] - [ -0.0001057900000000, -0.0003142500000000, -0.0024743200000000 ] - [ -0.0027119500000000, 0.0082453100000000, 0.0259469100000000 ] - [ -0.0000408300000000, 0.0000145500000000, -0.0023872500000000 ] - [ -0.0000057000000000, -0.0000029300000000, -0.0022820300000000 ] - [ -0.0001750500000000, -0.0000085700000000, -0.0024698100000000 ] - [ 0.0000341500000000, 0.0002006600000000, -0.0016928600000000 ] - [ -0.0002645500000000, -0.0001208900000000, -0.0020827700000000 ] - [ 0.0000230000000000, -0.0003044300000000, -0.0021104100000000 ] - [ 0.0001221900000000, -0.0000529700000000, -0.0020140700000000 ] - [ 0.0075626400000000, -0.0012274400000000, 0.0255001800000000 ] - [ -0.0000378700000000, -0.0001091700000000, -0.0018104600000000 ] - [ -0.0005660500000000, -0.0009762600000000, 0.0022812400000000 ] - [ -0.0005110500000000, -0.0006479300000000, 0.0016936200000000 ] - [ 0.0002042900000000, -0.0039376000000000, -0.0062160100000000 ] - [ 0.0002305000000000, -0.0006581800000000, 0.0014651800000000 ] - [ -0.0000320900000000, 0.0000859100000000, 0.0013070900000000 ] - [ 0.0001625500000000, 0.0002757000000000, 0.0010967600000000 ] - [ 0.0033354300000000, 0.0011491100000000, -0.0040108900000000 ] - [ -0.0007418400000000, -0.0003723700000000, 0.0024478800000000 ] - [ 0.0000821600000000, -0.0001548700000000, 0.0012908800000000 ] - [ 0.0001067700000000, 0.0001672700000000, 0.0018423500000000 ] - [ -0.0001840900000000, 0.0000944400000000, 0.0020156800000000 ] - [ 0.0000498100000000, 0.0002366900000000, 0.0011380900000000 ] - [ 0.0000980300000000, -0.0005466700000000, 0.0012289400000000 ] - [ 0.0002045600000000, -0.0000295600000000, 0.0005982300000000 ] - [ -0.0036927000000000, 0.0018658400000000, -0.0039790500000000 ] - [ -0.0005563100000000, 0.0032986700000000, 0.0015250300000000 ] - [ 0.0134090500000000, -0.0022970200000000, -0.0324327600000000 ] - [ -0.0002155300000000, 0.0000624100000000, 0.0012537400000000 ] - [ 0.0000610600000000, -0.0000037500000000, 0.0013195000000000 ] - [ -0.0101713300000000, 0.0139367800000000, -0.0350057400000000 ] - [ -0.0034290700000000, -0.0012578800000000, -0.0058196600000000 ] - [ 0.0001585900000000, 0.0001504800000000, 0.0011277800000000 ] - [ -0.0001306100000000, -0.0000537200000000, 0.0022482700000000 ] - [ 0.0010736400000000, -0.0009095400000000, 0.0080794800000000 ] - [ -0.0022464300000000, -0.0022246300000000, 0.0020390800000000 ] - [ 0.0000541400000000, -0.0000763200000000, -0.0004508700000000 ] - [ -0.0002001500000000, 0.0001245100000000, -0.0005328600000000 ] - [ -0.0002276400000000, 0.0002954900000000, 0.0019996400000000 ] - [ 0.0001249800000000, 0.0000035900000000, 0.0015306400000000 ] - [ -0.0001888800000000, 0.0001088500000000, 0.0014545500000000 ] - [ 0.0000940900000000, -0.0002395700000000, 0.0018845700000000 ] - [ -0.0013547000000000, 0.0016143900000000, -0.0074630300000000 ] - [ 0.0001913600000000, -0.0001057400000000, 0.0014098200000000 ] - [ -0.0000428000000000, -0.0001814300000000, 0.0013442100000000 ] - [ 0.0001655700000000, -0.0002877300000000, 0.0011270100000000 ] - [ 0.0001585500000000, 0.0002672300000000, 0.0013114200000000 ] - [ -0.0000009100000000, -0.0002230500000000, 0.0014439100000000 ] - [ 0.0026549200000000, 0.0006506200000000, 0.0012245900000000 ] - [ 0.0035108200000000, 0.0004137400000000, -0.0071335900000000 ] - [ -0.0002063800000000, 0.0000961300000000, 0.0011794600000000 ] - [ -0.0029103800000000, -0.0018441800000000, -0.0047396700000000 ] - [ -0.0003181900000000, 0.0000027600000000, 0.0010903600000000 ] - [ 0.0000989300000000, -0.0000595900000000, 0.0019227100000000 ] - [ -0.0002736700000000, -0.0000709000000000, 0.0012531600000000 ] - [ -0.0000001000000000, 0.0002331000000000, 0.0014332400000000 ] - [ -0.0000114400000000, 0.0000067600000000, 0.0018217900000000 ] - [ -0.0004628500000000, -0.0003306000000000, 0.0008442400000000 ] - [ -0.0020962800000000, 0.0021133800000000, 0.0025891800000000 ] - [ -0.0002194800000000, 0.0003576200000000, 0.0012060500000000 ] - [ -0.0003191800000000, 0.0004358700000000, 0.0008119800000000 ] - [ 0.0033438900000000, -0.0020393900000000, -0.0038162300000000 ] - [ -0.0013681300000000, 0.0041237500000000, -0.0066246600000000 ] - [ 0.0040772200000000, 0.0010013000000000, -0.0068030000000000 ] - [ -0.0010129600000000, -0.0027451500000000, 0.0020973900000000 ] - [ -0.0000938300000000, -0.0001614900000000, -0.0003873000000000 ] - [ 0.0004205600000000, -0.0001646900000000, -0.0004818700000000 ] - [ -0.0001883000000000, -0.0001180800000000, 0.0014131100000000 ] - [ -0.0010933600000000, 0.0005338400000000, -0.0048520900000000 ] - [ 0.0002620300000000, 0.0003512600000000, 0.0011970600000000 ] - [ 0.0001654600000000, -0.0001601000000000, 0.0010883100000000 ] - [ 0.0000280100000000, 0.0001249400000000, 0.0019220400000000 ] - [ 0.0006446900000000, 0.0000821400000000, 0.0013196900000000 ] - [ 0.0038292500000000, -0.0107105100000000, -0.0146649100000000 ] - [ 0.0001623400000000, -0.0001451200000000, 0.0011248900000000 ] - [ -0.0001915000000000, -0.0034265700000000, -0.0047956500000000 ] - [ -0.0001740900000000, -0.0001996600000000, 0.0017864800000000 ] - [ 0.0009589700000000, 0.0017918500000000, -0.0275040200000000 ] - [ -0.0000995800000000, -0.0000855900000000, 0.0010293400000000 ] - [ -0.0001529800000000, -0.0000080300000000, 0.0014549800000000 ] - [ -0.0001529900000000, -0.0000755200000000, -0.0004835200000000 ] - [ 0.0000002000000000, -0.0000001700000000, 0.0018066600000000 ] - [ 0.0001904000000000, 0.0000971500000000, 0.0014257300000000 ] - [ -0.0016834700000000, -0.0023248200000000, -0.0075063400000000 ] - [ 0.0006073600000000, -0.0000829300000000, 0.0018892100000000 ] - [ -0.0001279000000000, -0.0000941800000000, 0.0006003900000000 ] - [ 0.0024584800000000, -0.0005082000000000, 0.0018303500000000 ] - [ 0.0000476700000000, -0.0002306300000000, 0.0011261100000000 ] - [ 0.0029773200000000, -0.0019511800000000, -0.0043950300000000 ] - [ -0.0001180500000000, 0.0000613000000000, -0.0003347900000000 ] - [ 0.0001232500000000, 0.0004352300000000, 0.0014858600000000 ] - [ -0.0000590600000000, 0.0001450200000000, 0.0013818400000000 ] - [ 0.0002105800000000, 0.0001329300000000, 0.0010584000000000 ] - [ -0.0002426400000000, -0.0003564200000000, 0.0012213300000000 ] - [ 0.0004115400000000, 0.0000205300000000, 0.0012397000000000 ] - [ 0.0001690800000000, -0.0000647200000000, 0.0016397000000000 ] - [ 0.0164205300000000, -0.0015153200000000, -0.0409564100000000 ] - [ -0.0000345800000000, -0.0003123100000000, 0.0010277000000000 ] - [ -0.0005357800000000, 0.0024442500000000, -0.0039581600000000 ] - [ -0.0005010900000000, 0.0001761800000000, 0.0010489800000000 ] - [ 0.0006216600000000, 0.0000495600000000, 0.0013228600000000 ] - [ 0.0002556400000000, 0.0004314500000000, 0.0010298600000000 ] - [ -0.0001772000000000, 0.0001168600000000, 0.0014203500000000 ] - [ -0.0000372700000000, -0.0000806400000000, 0.0012921500000000 ] - [ 0.0032506100000000, 0.0012139100000000, -0.0035362400000000 ] - [ 0.0003096200000000, 0.0000162400000000, 0.0017524600000000 ] - [ -0.0003342800000000, 0.0001693100000000, 0.0018365500000000 ] - [ 0.0029944600000000, -0.0007345600000000, 0.0027452000000000 ] - [ 0.0006280500000000, 0.0003024300000000, 0.0023322000000000 ] - [ -0.0004286000000000, 0.0031262700000000, -0.0036192500000000 ] - [ -0.0001452300000000, -0.0001088400000000, 0.0013359600000000 ] - [ -0.0012257200000000, -0.0040796000000000, -0.0087062800000000 ] - [ -0.0002063800000000, -0.0001066700000000, 0.0011569000000000 ] - [ -0.0000160400000000, 0.0001616800000000, 0.0012641700000000 ] - [ -0.0092898800000000, -0.0192198700000000, -0.0426983700000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000306200000000, -0.0000718000000000, 0.0000683500000000 ] - [ -0.0008018400000000, 0.0015909300000000, 0.0004228900000000 ] - [ -0.0002344600000000, -0.0000268600000000, 0.0002609000000000 ] - [ -0.0000575000000000, 0.0000116500000000, 0.0000945500000000 ] - [ 0.0000226800000000, 0.0000571900000000, 0.0000295500000000 ] - [ 0.0061989300000000, -0.0014822600000000, -0.0021978600000000 ] - [ -0.0038025600000000, -0.0019979000000000, -0.0036359200000000 ] - [ 0.0000074900000000, -0.0000026800000000, 0.0002219800000000 ] - [ 0.0007939700000000, 0.0002538600000000, 0.0002213700000000 ] - [ -0.0000114200000000, -0.0000040200000000, -0.0003809400000000 ] - [ 0.0000629700000000, 0.0000929300000000, 0.0000581800000000 ] - [ -0.2524142600000000, 0.0246074800000000, 0.0032742600000000 ] - [ -0.0000930100000000, -0.0000043800000000, 0.0004194600000000 ] - [ 0.0000598000000000, 0.0000072300000000, 0.0003462400000000 ] - [ -0.0004413100000000, -0.0000154400000000, -0.0001185700000000 ] - [ 0.0001017900000000, -0.0002069600000000, -0.0001388900000000 ] - [ -0.0000526200000000, 0.0008958600000000, -0.0000620000000000 ] - [ -0.0027046100000000, -0.0009455600000000, 0.0020038000000000 ] - [ 0.0004561500000000, -0.0005797400000000, 0.0000936600000000 ] - [ -0.0000279200000000, 0.0001387200000000, 0.0005418800000000 ] - [ 0.0030320800000000, 0.0020373100000000, -0.0005021300000000 ] - [ -0.0001372400000000, -0.0002268800000000, 0.0000002600000000 ] - [ 0.0021360400000000, 0.0052543600000000, -0.0010071200000000 ] - [ -0.0003144500000000, -0.0003932200000000, -0.0002056900000000 ] - [ 0.0000213300000000, 0.0001632300000000, 0.0003453200000000 ] - [ -0.0000591200000000, -0.0000670300000000, -0.0000312900000000 ] - [ 0.0001309100000000, -0.0000052900000000, -0.0000796200000000 ] - [ 0.0014160100000000, 0.0019290700000000, 0.0019061500000000 ] - [ 0.0000205500000000, -0.0000469800000000, 0.0004787900000000 ] - [ -0.0001149700000000, 0.0000161000000000, 0.0000817400000000 ] - [ 0.0011712600000000, 0.0000458400000000, 0.0003014100000000 ] - [ 0.0000322600000000, -0.0002066100000000, 0.0003725800000000 ] - [ 0.0000627300000000, -0.0000772200000000, 0.0000679100000000 ] - [ 0.0001434600000000, -0.0005289200000000, -0.0005592100000000 ] - [ 0.0006846400000000, -0.0000293200000000, 0.0001653200000000 ] - [ 0.0218008200000000, -0.0251796100000000, 0.0024299500000000 ] - [ -0.0003451100000000, -0.0000264600000000, 0.0003854300000000 ] - [ 0.0000543800000000, -0.0001112600000000, 0.0001057600000000 ] - [ 0.0000036900000000, 0.0000988700000000, -0.0004615200000000 ] - [ 0.0001846400000000, -0.0000696200000000, -0.0003878100000000 ] - [ -0.0024825100000000, 0.0004410500000000, -0.0016453900000000 ] - [ 0.0000688300000000, -0.0001199300000000, -0.0000411500000000 ] - [ -0.0110344000000000, -0.0038678700000000, 0.0018142400000000 ] - [ 0.0000440200000000, 0.0000527900000000, 0.0001809300000000 ] - [ -0.0001945400000000, 0.0002053700000000, 0.0000946100000000 ] - [ 0.0000358200000000, 0.0017977700000000, -0.0035438900000000 ] - [ 0.0006519300000000, 0.0003872800000000, 0.0000657300000000 ] - [ 0.0104536800000000, 0.0002114500000000, 0.0000236900000000 ] - [ -0.0001477600000000, -0.0000152900000000, 0.0000840200000000 ] - [ -0.0000064500000000, 0.0000337700000000, -0.0001223600000000 ] - [ -0.0009904800000000, 0.0001337400000000, 0.0050889600000000 ] - [ 0.0004100300000000, 0.0003036500000000, -0.0032993100000000 ] - [ 0.0027944600000000, -0.0067667100000000, -0.0007526400000000 ] - [ -0.0000882800000000, -0.0001131700000000, 0.0002523500000000 ] - [ -0.0013918300000000, 0.0005637200000000, -0.0012857600000000 ] - [ 0.0000124700000000, -0.0000077200000000, 0.0003613100000000 ] - [ 0.0000454600000000, 0.0000940200000000, 0.0000970700000000 ] - [ -0.0000341500000000, 0.0008767700000000, -0.0000453500000000 ] - [ 0.0259781200000000, 0.0284429000000000, 0.0003191500000000 ] - [ -0.0002024000000000, 0.0001721800000000, 0.0004791200000000 ] - [ 0.0003133300000000, -0.0000010000000000, -0.0000067200000000 ] - [ 0.0013400400000000, -0.0011452100000000, -0.0012645700000000 ] - [ 0.0004024400000000, -0.0020242200000000, -0.0000047300000000 ] - [ 0.0221185200000000, 0.0174746000000000, 0.0002111900000000 ] - [ -0.0000180400000000, -0.0012888200000000, -0.0001341800000000 ] - [ 0.0020108900000000, -0.0023033700000000, -0.0005214000000000 ] - [ 0.0120213200000000, -0.0089429100000000, 0.0132199200000000 ] - [ -0.0010462200000000, -0.0007572100000000, 0.0051977800000000 ] - [ -0.0001458600000000, 0.0002279600000000, -0.0000204300000000 ] - [ -0.0108344900000000, 0.0064236800000000, -0.0014060300000000 ] - [ 0.0000005400000000, -0.0000001300000000, 0.0002164700000000 ] - [ -0.0001722100000000, -0.0000472200000000, -0.0003261500000000 ] - [ 0.0000356500000000, -0.0000299400000000, -0.0004732800000000 ] - [ -0.0001251500000000, 0.0001013200000000, 0.0003141700000000 ] - [ -0.0010314600000000, 0.0027455600000000, -0.0033866600000000 ] - [ -0.0004623400000000, -0.0043311400000000, -0.0011495100000000 ] - [ 0.0000325400000000, -0.0000964800000000, -0.0000128600000000 ] - [ -0.0003889300000000, 0.0003387000000000, 0.0011750900000000 ] - [ -0.0002445500000000, -0.0000028600000000, -0.0000546700000000 ] - [ -0.0029625700000000, -0.0047605900000000, -0.0068282200000000 ] - [ -0.0039145000000000, -0.0021989300000000, 0.0039526300000000 ] - [ 0.0049021000000000, -0.0014764700000000, -0.0000037400000000 ] - [ 0.0000294400000000, 0.0002793100000000, 0.0000143000000000 ] - [ 0.0001715500000000, -0.0000010200000000, -0.0001816700000000 ] - [ -0.0000017500000000, 0.0001181500000000, 0.0001728100000000 ] - [ -0.0000040200000000, -0.0000556100000000, 0.0002963400000000 ] - [ -0.0001164700000000, -0.0000541400000000, 0.0001788400000000 ] - [ -0.0000949900000000, -0.0005358000000000, 0.0004774100000000 ] - [ -0.0022585300000000, -0.0006995000000000, -0.0003941400000000 ] - [ 0.0003535600000000, 0.0000013300000000, 0.0001568300000000 ] - [ 0.0000480100000000, 0.0000371200000000, -0.0005083500000000 ] - [ -0.0019630500000000, 0.0002873700000000, 0.0026529700000000 ] - [ -0.0002509400000000, -0.0003627600000000, -0.0003680500000000 ] - [ -0.0000180100000000, -0.0000583400000000, 0.0004121800000000 ] - [ 0.0002580400000000, 0.0000057100000000, 0.0001068300000000 ] - [ -0.0000158600000000, -0.0001605400000000, -0.0001998100000000 ] - [ -0.0000097100000000, 0.0000399800000000, -0.0000832000000000 ] - [ 0.0232119000000000, -0.0090726400000000, -0.0332937100000000 ] - [ 0.0003646400000000, 0.0003685900000000, 0.0002346700000000 ] - [ -0.0002118400000000, 0.0002395500000000, -0.0010124000000000 ] - [ -0.0002194700000000, 0.0019551400000000, 0.0007572200000000 ] - [ 0.0000347700000000, 0.0000271300000000, -0.0000609200000000 ] - [ 0.0019455900000000, -0.0087377100000000, 0.0041054100000000 ] - [ -0.0001835700000000, -0.0001281000000000, 0.0000011200000000 ] - [ 0.0456754600000000, -0.0410321100000000, 0.0361681300000000 ] - [ 0.0005443300000000, 0.0000110500000000, 0.0000033700000000 ] - [ -0.0119417200000000, -0.0002257300000000, -0.0045359300000000 ] - [ -0.0001615000000000, -0.0000120000000000, 0.0000558200000000 ] - [ 0.0000144300000000, 0.0000945900000000, -0.0000182300000000 ] - [ -0.0002349400000000, -0.0009080100000000, -0.0048733300000000 ] - [ 0.0001237000000000, 0.0000008600000000, -0.0000237100000000 ] - [ -0.0083257100000000, 0.0033317800000000, 0.0026658300000000 ] - [ -0.0000154000000000, 0.0003489000000000, 0.0001915800000000 ] - [ 0.0007986100000000, -0.0003539000000000, -0.0008049600000000 ] - [ -0.0027196400000000, -0.0030997300000000, -0.0011400300000000 ] - [ -0.0024657800000000, 0.0008733400000000, -0.0006998200000000 ] - [ 0.0028919500000000, -0.0011199500000000, -0.0005926400000000 ] - [ -0.0000260300000000, 0.0000036200000000, -0.0000603800000000 ] - [ 0.0027049400000000, 0.0087584500000000, 0.0002100800000000 ] - [ 0.0009141200000000, 0.0013729000000000, -0.0006653600000000 ] - [ -0.0001665500000000, 0.0003062600000000, 0.0001515500000000 ] - [ 0.0001003600000000, -0.0000565200000000, 0.0001765300000000 ] - [ -0.0001618600000000, -0.0002959200000000, 0.0001500300000000 ] - [ -0.0000743000000000, 0.0002846500000000, 0.0002656200000000 ] - [ 0.0000017900000000, -0.0000134700000000, -0.0000493100000000 ] - [ 0.0000560300000000, 0.0000351200000000, 0.0001696600000000 ] - [ 0.0002981000000000, 0.0041877900000000, 0.0000682500000000 ] - [ -0.0000180100000000, 0.0000144400000000, -0.0001082100000000 ] - [ 0.0009715900000000, -0.0006600100000000, 0.0012588100000000 ] - [ -0.0001580600000000, 0.0003959200000000, -0.0001785000000000 ] - [ 0.0002325700000000, -0.0001580100000000, 0.0009056000000000 ] - [ -0.0008329800000000, 0.0000271000000000, -0.0011189800000000 ] - [ -0.0001231600000000, 0.0000127800000000, 0.0000421500000000 ] - [ -0.0002483900000000, 0.0011404400000000, 0.0003996400000000 ] - [ -0.0000656500000000, -0.0001174800000000, -0.0000167100000000 ] - [ 0.0015827200000000, -0.0028852400000000, 0.0020966000000000 ] - [ -0.0000859900000000, -0.0000125100000000, -0.0004289500000000 ] - [ 0.0000243300000000, 0.0000159300000000, 0.0000830500000000 ] - [ -0.0001340500000000, 0.0002514600000000, 0.0005729100000000 ] - [ -0.0000063600000000, 0.0000637500000000, 0.0000258900000000 ] - [ 0.0005979300000000, -0.0008773900000000, 0.0007665200000000 ] - [ -0.0031768400000000, 0.0027820700000000, -0.0002320500000000 ] - [ -0.0001135100000000, 0.0000511700000000, 0.0001769000000000 ] - [ 0.0004536500000000, -0.0000348400000000, -0.0002787400000000 ] - [ 0.0000331700000000, -0.0000916300000000, -0.0002478900000000 ] - [ -0.0002699900000000, 0.0000667100000000, -0.0001766400000000 ] - [ -0.0002088900000000, 0.0006080900000000, -0.0004501700000000 ] - [ 0.0000391600000000, -0.0000944000000000, -0.0000044000000000 ] - [ -0.0001067900000000, -0.0002703700000000, 0.0000087900000000 ] - [ 0.0000623800000000, 0.0001124700000000, -0.0001103900000000 ] - [ -0.0006290900000000, 0.0000932200000000, 0.0002685700000000 ] - [ -0.0000615000000000, -0.0003052900000000, -0.0001266700000000 ] - [ 0.1066411500000000, -0.0087412900000000, -0.0181933000000000 ] - [ 0.0397021700000000, 0.0286287800000000, 0.0071857300000000 ] - [ 0.0007848100000000, -0.0000950300000000, -0.0001358400000000 ] - [ 0.0000540200000000, -0.0000206800000000, -0.0000569000000000 ] - [ -0.0000419500000000, -0.0000747000000000, 0.0000499700000000 ] - [ -0.0001080100000000, -0.0000263200000000, 0.0000098200000000 ] - [ -0.0000670700000000, 0.0001039500000000, -0.0001608800000000 ] - [ -0.0009532400000000, 0.0001027000000000, -0.0009594400000000 ] - [ 0.0000160400000000, 0.0000133100000000, -0.0003330100000000 ] - [ -0.0087071900000000, -0.0032474200000000, 0.0027940500000000 ] - [ -0.0008477100000000, -0.0013663500000000, 0.0006899400000000 ] - [ 0.0001067900000000, 0.0000577800000000, 0.0001776200000000 ] - [ -0.0044574500000000, 0.0047869700000000, -0.0064391900000000 ] - [ -0.0002487500000000, -0.0000605700000000, -0.0003576600000000 ] - [ 0.0000189700000000, 0.0000042100000000, -0.0000367200000000 ] - [ -0.0007381400000000, 0.0003534900000000, 0.0009289700000000 ] - [ 0.0000051600000000, -0.0001163500000000, 0.0001757400000000 ] - [ -0.0000727900000000, -0.0002772000000000, -0.0001107800000000 ] - [ 0.0000755100000000, 0.0000893100000000, 0.0000126600000000 ] - [ 0.0000196300000000, -0.0013544200000000, -0.0012207800000000 ] - [ -0.0005499900000000, -0.0006127700000000, 0.0008407200000000 ] - [ -0.0000596500000000, 0.0001134300000000, -0.0000137800000000 ]- atom: 12 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000276400000000, -0.0000283600000000, -0.0000677100000000 ] - [ 0.0007887800000000, -0.0016155200000000, -0.0004270800000000 ] - [ 0.0002330400000000, 0.0000274400000000, 0.0001412500000000 ] - [ -0.0000583000000000, -0.0000111100000000, -0.0000940400000000 ] - [ 0.0000364700000000, 0.0000455700000000, -0.0000290100000000 ] - [ -0.0062233700000000, 0.0015101700000000, 0.0022333700000000 ] - [ 0.0037817100000000, 0.0020072300000000, 0.0032557900000000 ] - [ -0.0000142500000000, 0.0000008000000000, 0.0001153700000000 ] - [ -0.0011141400000000, 0.0001607300000000, -0.0004132400000000 ] - [ 0.0000097100000000, 0.0000010100000000, -0.0004637900000000 ] - [ 0.0000852200000000, 0.0001030900000000, 0.0000232800000000 ] - [ 0.2437012300000000, -0.0234743300000000, 0.0006397800000000 ] - [ 0.0000911700000000, 0.0000011600000000, 0.0004261500000000 ] - [ -0.0000573900000000, -0.0000019700000000, 0.0002808700000000 ] - [ 0.0001919300000000, -0.0000101700000000, 0.0000402200000000 ] - [ -0.0000082100000000, 0.0004327400000000, 0.0000580300000000 ] - [ -0.0001463300000000, -0.0004116700000000, -0.0001340400000000 ] - [ 0.0027731300000000, 0.0008352900000000, -0.0026127300000000 ] - [ -0.0007772700000000, 0.0001583800000000, -0.0002866000000000 ] - [ 0.0001048900000000, -0.0000018900000000, 0.0001116300000000 ] - [ -0.0025199400000000, -0.0019471700000000, 0.0006962800000000 ] - [ -0.0001412500000000, -0.0002552500000000, -0.0000983700000000 ] - [ -0.0023162000000000, -0.0047499400000000, 0.0011957800000000 ] - [ 0.0008303200000000, 0.0003161200000000, 0.0000028300000000 ] - [ 0.0000455600000000, -0.0000468600000000, 0.0002810800000000 ] - [ -0.0002205600000000, -0.0004150000000000, 0.0001288600000000 ] - [ -0.0001373200000000, 0.0000034500000000, -0.0002573500000000 ] - [ -0.0015590800000000, -0.0019400100000000, -0.0025691600000000 ] - [ -0.0001555400000000, 0.0000472900000000, 0.0001489400000000 ] - [ -0.0001229900000000, 0.0000064800000000, -0.0000011500000000 ] - [ -0.0011655900000000, -0.0000404400000000, -0.0009379600000000 ] - [ 0.0000429300000000, 0.0000647000000000, 0.0002818600000000 ] - [ 0.0000758400000000, -0.0001176100000000, 0.0000126100000000 ] - [ -0.0003340800000000, 0.0000441400000000, 0.0003618300000000 ] - [ -0.0001251500000000, 0.0000279200000000, -0.0000670200000000 ] - [ -0.0215948000000000, 0.0251289100000000, -0.0020454000000000 ] - [ 0.0000658700000000, 0.0005099800000000, -0.0002832300000000 ] - [ 0.0000472000000000, -0.0001167600000000, -0.0000249100000000 ] - [ -0.0000013300000000, -0.0000998900000000, -0.0001643300000000 ] - [ -0.0000850000000000, -0.0001588200000000, 0.0003072100000000 ] - [ 0.0024736100000000, -0.0004150700000000, 0.0011909200000000 ] - [ -0.0003060200000000, 0.0001434200000000, -0.0000387100000000 ] - [ 0.0114852300000000, 0.0037232500000000, -0.0015726900000000 ] - [ -0.0002013200000000, -0.0000579900000000, 0.0004736300000000 ] - [ 0.0003336600000000, -0.0004010400000000, -0.0001741400000000 ] - [ 0.0000324400000000, -0.0016596500000000, 0.0028862500000000 ] - [ -0.0001303500000000, -0.0003140000000000, -0.0002601300000000 ] - [ -0.0108597100000000, 0.0002034400000000, 0.0001254300000000 ] - [ -0.0001007900000000, -0.0000106100000000, -0.0000034800000000 ] - [ 0.0000080200000000, -0.0000411600000000, -0.0002142300000000 ] - [ 0.0010652900000000, 0.0000249300000000, -0.0044928700000000 ] - [ -0.0005733100000000, -0.0003012000000000, 0.0038972400000000 ] - [ -0.0026704400000000, 0.0065886100000000, 0.0001823600000000 ] - [ 0.0001560900000000, -0.0000031700000000, 0.0003724700000000 ] - [ 0.0013682000000000, -0.0005856500000000, 0.0008487300000000 ] - [ -0.0000089400000000, 0.0000114900000000, 0.0002648300000000 ] - [ 0.0000501400000000, 0.0001319700000000, -0.0000152500000000 ] - [ 0.0001005500000000, -0.0007553900000000, -0.0005798200000000 ] - [ -0.0256409100000000, -0.0281555200000000, -0.0009265000000000 ] - [ 0.0003520000000000, 0.0000241900000000, -0.0005594700000000 ] - [ 0.0002453200000000, 0.0000001400000000, -0.0000930800000000 ] - [ -0.0014826500000000, 0.0011418800000000, 0.0006305200000000 ] - [ -0.0003213100000000, 0.0018741600000000, -0.0006489000000000 ] - [ -0.0224201400000000, -0.0177866000000000, -0.0007931600000000 ] - [ 0.0001145200000000, 0.0011221000000000, 0.0007026300000000 ] - [ -0.0023378200000000, 0.0018656900000000, 0.0007178600000000 ] - [ -0.0121726800000000, 0.0085747300000000, -0.0131600600000000 ] - [ 0.0010733500000000, 0.0007622100000000, -0.0055997400000000 ] - [ -0.0001339600000000, 0.0002551600000000, -0.0000796600000000 ] - [ 0.0107568300000000, -0.0063646100000000, 0.0018276100000000 ] - [ 0.0000012200000000, -0.0000069400000000, 0.0001208300000000 ] - [ -0.0000435200000000, 0.0001593300000000, -0.0000855000000000 ] - [ 0.0000265600000000, -0.0000794000000000, -0.0003968400000000 ] - [ 0.0002801100000000, -0.0002782200000000, -0.0001867600000000 ] - [ 0.0008602400000000, -0.0024648600000000, 0.0030789800000000 ] - [ 0.0004448200000000, 0.0042631200000000, 0.0006024300000000 ] - [ 0.0000687300000000, -0.0000916800000000, 0.0000791600000000 ] - [ 0.0003608500000000, -0.0002987900000000, -0.0006115100000000 ] - [ 0.0003551000000000, -0.0001796500000000, -0.0000097900000000 ] - [ 0.0031695000000000, 0.0051131200000000, 0.0067938200000000 ] - [ 0.0034638100000000, 0.0022332400000000, -0.0039834900000000 ] - [ -0.0047652900000000, 0.0014737500000000, -0.0003727300000000 ] - [ 0.0000446000000000, -0.0005020000000000, 0.0001135700000000 ] - [ 0.0000278900000000, 0.0001387100000000, -0.0002366900000000 ] - [ 0.0000214700000000, 0.0001218300000000, 0.0002438000000000 ] - [ -0.0000529200000000, 0.0001566200000000, 0.0000735400000000 ] - [ -0.0000985900000000, -0.0000529200000000, 0.0002366100000000 ] - [ 0.0000785300000000, 0.0005045600000000, 0.0000625600000000 ] - [ 0.0025586800000000, 0.0007139300000000, 0.0001480800000000 ] - [ 0.0003433600000000, 0.0000037000000000, 0.0002090300000000 ] - [ 0.0000139900000000, 0.0000694800000000, -0.0003615700000000 ] - [ 0.0019096200000000, -0.0001891400000000, -0.0030152900000000 ] - [ 0.0001212100000000, 0.0003598000000000, 0.0012376300000000 ] - [ -0.0000326800000000, -0.0000432600000000, -0.0000423200000000 ] - [ -0.0001412600000000, -0.0000080600000000, 0.0002658300000000 ] - [ 0.0000175900000000, 0.0001621900000000, -0.0001221900000000 ] - [ -0.0000486800000000, 0.0000584400000000, 0.0004527800000000 ] - [ -0.0229830600000000, 0.0094416400000000, 0.0324446400000000 ] - [ -0.0003347300000000, -0.0003171200000000, -0.0001511200000000 ] - [ -0.0000048400000000, -0.0002460600000000, 0.0009439500000000 ] - [ 0.0004327300000000, -0.0023423900000000, -0.0007573600000000 ] - [ -0.0000041900000000, 0.0000257500000000, -0.0000242200000000 ] - [ -0.0017690900000000, 0.0088750500000000, -0.0042113000000000 ] - [ 0.0002875300000000, -0.0000570700000000, -0.0000653100000000 ] - [ -0.0455009400000000, 0.0420522600000000, -0.0375046000000000 ] - [ -0.0004336900000000, 0.0001674300000000, -0.0000748200000000 ] - [ 0.0118398600000000, 0.0001863600000000, 0.0045027400000000 ] - [ 0.0004565000000000, 0.0000127500000000, 0.0002066900000000 ] - [ 0.0000850800000000, 0.0000891400000000, 0.0000860200000000 ] - [ 0.0001579200000000, 0.0007957300000000, 0.0045066000000000 ] - [ 0.0001358100000000, -0.0000019300000000, 0.0000366700000000 ] - [ 0.0083961000000000, -0.0033337600000000, -0.0032088900000000 ] - [ 0.0000759200000000, -0.0004587100000000, 0.0006752100000000 ] - [ -0.0006335200000000, 0.0005322200000000, 0.0009329000000000 ] - [ 0.0024695500000000, 0.0031580000000000, 0.0010091600000000 ] - [ 0.0024664100000000, -0.0008889100000000, 0.0010467000000000 ] - [ -0.0032660500000000, 0.0004164100000000, 0.0002801500000000 ] - [ 0.0000252500000000, -0.0000046900000000, 0.0000598800000000 ] - [ -0.0030982500000000, -0.0080361900000000, 0.0001052300000000 ] - [ -0.0013160500000000, -0.0006780100000000, 0.0003478000000000 ] - [ -0.0001775100000000, 0.0002999500000000, 0.0002144600000000 ] - [ 0.0001049800000000, -0.0000735400000000, 0.0002361800000000 ] - [ -0.0001852000000000, -0.0003053100000000, 0.0002120700000000 ] - [ -0.0000747800000000, -0.0000257000000000, 0.0000013200000000 ] - [ -0.0000022400000000, 0.0000124000000000, 0.0000487600000000 ] - [ 0.0000601200000000, -0.0000331100000000, 0.0001997400000000 ] - [ -0.0002257600000000, -0.0043792500000000, -0.0001933500000000 ] - [ -0.0000396500000000, -0.0000142000000000, 0.0000236600000000 ] - [ -0.0001817800000000, 0.0006334600000000, -0.0015585600000000 ] - [ -0.0001861400000000, 0.0002109100000000, -0.0001891900000000 ] - [ -0.0001695400000000, 0.0002619200000000, -0.0000367800000000 ] - [ 0.0008700100000000, -0.0000248300000000, 0.0016514700000000 ] - [ -0.0000911400000000, -0.0000192700000000, 0.0000246200000000 ] - [ 0.0001897300000000, -0.0012257200000000, -0.0007664600000000 ] - [ -0.0000658600000000, -0.0001103300000000, 0.0000298200000000 ] - [ -0.0018986400000000, 0.0023069900000000, -0.0020800900000000 ] - [ -0.0000404200000000, 0.0000115100000000, -0.0004413000000000 ] - [ 0.0002347100000000, -0.0000172500000000, -0.0000959600000000 ] - [ 0.0000800300000000, -0.0002492700000000, -0.0004900800000000 ] - [ -0.0000555900000000, -0.0001551000000000, 0.0003415300000000 ] - [ -0.0005906300000000, 0.0008803500000000, -0.0004413700000000 ] - [ 0.0033232800000000, -0.0029758800000000, 0.0001080400000000 ] - [ -0.0001018200000000, 0.0000617100000000, 0.0002358000000000 ] - [ 0.0002433800000000, 0.0000398400000000, -0.0000885400000000 ] - [ -0.0000178800000000, -0.0001483100000000, -0.0001678400000000 ] - [ 0.0002685300000000, -0.0000659900000000, -0.0001469400000000 ] - [ 0.0003240900000000, -0.0006099000000000, 0.0000808000000000 ] - [ 0.0000693100000000, -0.0000869400000000, 0.0000707000000000 ] - [ -0.0000403900000000, 0.0000133500000000, 0.0002549200000000 ] - [ -0.0001930900000000, 0.0001100000000000, 0.0000964100000000 ] - [ 0.0007293400000000, 0.0000911300000000, -0.0003327900000000 ] - [ -0.0002854000000000, -0.0002961200000000, -0.0002386800000000 ] - [ -0.0992922100000000, 0.0072745700000000, 0.0169800400000000 ] - [ -0.0389683000000000, -0.0296259700000000, -0.0070741000000000 ] - [ -0.0007564600000000, 0.0000455100000000, 0.0002182000000000 ] - [ -0.0000249900000000, -0.0000295000000000, -0.0000271300000000 ] - [ -0.0000885800000000, -0.0001521200000000, -0.0000617000000000 ] - [ -0.0001028700000000, 0.0000295600000000, 0.0000568100000000 ] - [ 0.0000872900000000, 0.0001370500000000, -0.0002564700000000 ] - [ 0.0010266500000000, 0.0001226600000000, 0.0010796300000000 ] - [ 0.0001882100000000, -0.0001441600000000, -0.0000790500000000 ] - [ 0.0088110000000000, 0.0034777800000000, -0.0029260700000000 ] - [ 0.0007005600000000, 0.0011050800000000, -0.0009518700000000 ] - [ 0.0000912500000000, 0.0000793300000000, 0.0002390200000000 ] - [ 0.0050955700000000, -0.0047676800000000, 0.0064218400000000 ] - [ 0.0000322700000000, -0.0000468500000000, -0.0000575500000000 ] - [ -0.0000201400000000, -0.0000061400000000, 0.0000363000000000 ] - [ 0.0004986200000000, -0.0004049000000000, -0.0008081500000000 ] - [ 0.0000097100000000, -0.0001232600000000, 0.0002397100000000 ] - [ -0.0001377700000000, 0.0002818300000000, 0.0000429100000000 ] - [ 0.0000338200000000, 0.0000886500000000, 0.0000560400000000 ] - [ -0.0000814500000000, 0.0014530200000000, 0.0008447800000000 ] - [ 0.0003161900000000, 0.0006670600000000, -0.0007175800000000 ] - [ -0.0000710300000000, 0.0001106100000000, 0.0000268400000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000338600000000, -0.0000586500000000, 0.0030350400000000 ] - [ 0.0008572000000000, 0.0038619100000000, -0.0060835100000000 ] - [ 0.0002981600000000, -0.0005164300000000, 0.0026620300000000 ] - [ -0.0000397900000000, 0.0000154700000000, 0.0030627000000000 ] - [ 0.0000064900000000, 0.0000421900000000, 0.0030627000000000 ] - [ -0.0037731100000000, 0.0011885900000000, -0.0060835100000000 ] - [ -0.0029041000000000, 0.0050300400000000, 0.0062840700000000 ] - [ -0.0000108500000000, 0.0000023500000000, 0.0024611300000000 ] - [ -0.0005745000000000, 0.0001376700000000, 0.0015009700000000 ] - [ 0.0000082500000000, -0.0000143000000000, 0.0018696000000000 ] - [ -0.0000614400000000, -0.0001348800000000, 0.0021409200000000 ] - [ 0.0034380500000000, -0.0059548900000000, -0.3492325200000000 ] - [ -0.0000641400000000, 0.0001110900000000, 0.0027649900000000 ] - [ -0.0001302900000000, 0.0000481100000000, 0.0023697900000000 ] - [ -0.0006852500000000, -0.0002247200000000, 0.0025042100000000 ] - [ 0.0000176500000000, 0.0003595100000000, 0.0017599800000000 ] - [ 0.0001680200000000, 0.0005663700000000, 0.0015009700000000 ] - [ 0.0010132900000000, -0.0017550700000000, 0.0053924400000000 ] - [ -0.0003362800000000, -0.0001442700000000, 0.0011851200000000 ] - [ 0.0005165500000000, 0.0001799900000000, 0.0024858600000000 ] - [ 0.0011650300000000, 0.0000253300000000, -0.0019184700000000 ] - [ -0.0002013200000000, -0.0003837900000000, 0.0019208300000000 ] - [ -0.0005753500000000, -0.0005521300000000, -0.0018285500000000 ] - [ 0.0011040800000000, 0.0027741500000000, 0.0033074000000000 ] - [ 0.0001169000000000, -0.0000595900000000, 0.0023011500000000 ] - [ -0.0002591400000000, -0.0003005400000000, 0.0018042500000000 ] - [ 0.0000806800000000, -0.0000224500000000, 0.0020924900000000 ] - [ 0.0023118000000000, 0.0032129500000000, 0.0012621000000000 ] - [ -0.0000068500000000, -0.0001310300000000, 0.0023011500000000 ] - [ 0.0001048100000000, 0.0000150100000000, 0.0020283100000000 ] - [ 0.0010095200000000, -0.0003174300000000, 0.0009635800000000 ] - [ -0.0001725600000000, 0.0002988900000000, 0.0021402800000000 ] - [ -0.0000262100000000, 0.0000762700000000, 0.0020607900000000 ] - [ -0.0029545200000000, 0.0004309200000000, 0.0033074000000000 ] - [ 0.0003898500000000, 0.0000741500000000, 0.0018042500000000 ] - [ -0.0006300200000000, 0.0022452700000000, -0.0080453800000000 ] - [ 0.0001668100000000, -0.0002889200000000, 0.0022300100000000 ] - [ -0.0000529500000000, 0.0000608300000000, 0.0020607900000000 ] - [ -0.0002298500000000, -0.0010329800000000, 0.0009635800000000 ] - [ -0.0001033400000000, -0.0002346100000000, 0.0018926700000000 ] - [ 0.0013742900000000, -0.0023803400000000, 0.0296762900000000 ] - [ -0.0003201700000000, 0.0001644700000000, 0.0017599800000000 ] - [ -0.0042763800000000, -0.0175127000000000, 0.0065248400000000 ] - [ -0.0004141500000000, -0.0003573500000000, 0.0024858600000000 ] - [ 0.0002548500000000, -0.0000278100000000, 0.0018926700000000 ] - [ -0.0039383900000000, -0.0003956000000000, 0.0012621000000000 ] - [ 0.0002930800000000, 0.0002190900000000, 0.0011851200000000 ] - [ 0.0007658300000000, 0.0002222000000000, -0.0018285500000000 ] - [ 0.0001475300000000, -0.0000142400000000, 0.0021409200000000 ] - [ -0.0000209000000000, -0.0000810900000000, 0.0020924900000000 ] - [ 0.0055637900000000, 0.0035726000000000, 0.0005681100000000 ] - [ -0.0058758500000000, -0.0030320800000000, 0.0005681100000000 ] - [ 0.0015516300000000, -0.0026875100000000, -0.0086253400000000 ] - [ -0.0000517300000000, 0.0000896100000000, 0.0030405200000000 ] - [ 0.0010588800000000, -0.0056482500000000, -0.0022031500000000 ] - [ 0.0000234800000000, 0.0001368900000000, 0.0023697900000000 ] - [ -0.0000654100000000, -0.0000832700000000, 0.0020283100000000 ] - [ 0.0000658500000000, 0.0005240400000000, 0.0004194600000000 ] - [ -0.0010196700000000, -0.0024444100000000, -0.0127959500000000 ] - [ 0.0005372400000000, 0.0004810900000000, 0.0025042100000000 ] - [ 0.0004330300000000, -0.0000175500000000, 0.0019208300000000 ] - [ -0.0004867600000000, 0.0002049900000000, 0.0004194600000000 ] - [ 0.0008501600000000, -0.0014725200000000, 0.0005864100000000 ] - [ 0.0026267600000000, -0.0003391500000000, -0.0127959500000000 ] - [ -0.0004929900000000, 0.0008538800000000, -0.0013122000000000 ] - [ -0.0006044500000000, -0.0009962800000000, -0.0019184700000000 ] - [ 0.0173046300000000, -0.0050528900000000, 0.0065248400000000 ] - [ 0.0043620900000000, -0.0037411500000000, -0.0022031500000000 ] - [ -0.0002676600000000, 0.0004635900000000, 0.0019833000000000 ] - [ -0.0016294500000000, 0.0016682500000000, -0.0080453800000000 ] - [ 0.0000033900000000, 0.0000105700000000, 0.0024611300000000 ] - [ -0.0002421400000000, -0.0001402600000000, -0.0016537000000000 ] - [ 0.0000785500000000, -0.0001360600000000, -0.0020783700000000 ] - [ 0.0009406300000000, -0.0007150400000000, 0.0001280000000000 ] - [ -0.0018206200000000, 0.0031534000000000, -0.0027429200000000 ] - [ 0.0003984800000000, 0.0003528000000000, 0.0018945000000000 ] - [ 0.0000808000000000, -0.0001462500000000, -0.0013344500000000 ] - [ 0.0017909300000000, -0.0031019800000000, -0.0069349700000000 ] - [ -0.0000139200000000, -0.0000712300000000, -0.0008657500000000 ] - [ -0.0035242800000000, -0.0003940400000000, 0.0057063400000000 ] - [ 0.0021033900000000, 0.0028551000000000, 0.0057063400000000 ] - [ 0.0032790400000000, 0.0022235000000000, -0.0051522400000000 ] - [ 0.0001489300000000, -0.0011721300000000, 0.0001280000000000 ] - [ 0.0001316200000000, 0.0002692600000000, -0.0017106400000000 ] - [ -0.0001417400000000, 0.0001160700000000, -0.0012841000000000 ] - [ -0.0000579300000000, 0.0002908500000000, -0.0010738200000000 ] - [ -0.0000243900000000, -0.0001639200000000, -0.0012945000000000 ] - [ -0.0002682500000000, 0.0007251600000000, 0.0001717900000000 ] - [ -0.0005764200000000, -0.0005051100000000, 0.0004600500000000 ] - [ 0.0001899400000000, 0.0000213100000000, -0.0013248600000000 ] - [ -0.0000570700000000, 0.0000645500000000, -0.0021658600000000 ] - [ 0.0012985100000000, -0.0002326000000000, 0.0001869800000000 ] - [ -0.0004323400000000, -0.0006375900000000, -0.0014950000000000 ] - [ 0.0002335700000000, 0.0003767300000000, -0.0018071000000000 ] - [ -0.0004430400000000, -0.0000139100000000, -0.0018071000000000 ] - [ 0.0000703600000000, -0.0002596900000000, -0.0014939800000000 ] - [ -0.0002229200000000, 0.0001955900000000, -0.0010738200000000 ] - [ -0.0325757000000000, 0.0564227600000000, 0.2114641400000000 ] - [ -0.0003059000000000, -0.0006305400000000, -0.0014379800000000 ] - [ -0.0006117400000000, 0.0004715200000000, -0.0020213700000000 ] - [ 0.0013622000000000, -0.0023593900000000, 0.0051947100000000 ] - [ 0.0000886400000000, 0.0002147200000000, -0.0015916600000000 ] - [ 0.0040470000000000, 0.0030494000000000, 0.0041524700000000 ] - [ 0.0000686500000000, -0.0000235600000000, -0.0008657500000000 ] - [ 0.0365052000000000, -0.0632288500000000, 0.0705856000000000 ] - [ -0.0001024800000000, 0.0007655400000000, -0.0020213700000000 ] - [ -0.0046643600000000, -0.0019801000000000, 0.0041524700000000 ] - [ 0.0002630200000000, 0.0001604300000000, -0.0010416500000000 ] - [ 0.0000594400000000, 0.0001525800000000, -0.0013729100000000 ] - [ -0.0035651300000000, -0.0017279800000000, -0.0051522400000000 ] - [ 0.0000942200000000, 0.0000038000000000, -0.0012177000000000 ] - [ -0.0005047700000000, -0.0001686900000000, 0.0018945000000000 ] - [ -0.0001379300000000, 0.0002389000000000, -0.0009341600000000 ] - [ -0.0010422500000000, -0.0018251000000000, -0.0009328800000000 ] - [ -0.0004069100000000, 0.0004585300000000, 0.0028828400000000 ] - [ -0.0013147200000000, 0.0003399400000000, 0.0008451000000000 ] - [ -0.0077020600000000, 0.0013277700000000, -0.0048749100000000 ] - [ -0.0000073200000000, 0.0000035600000000, -0.0022178100000000 ] - [ 0.0004466800000000, -0.0007736700000000, 0.0036712500000000 ] - [ -0.0011332000000000, 0.0019627600000000, 0.0006267600000000 ] - [ -0.0000952100000000, 0.0001649000000000, -0.0013050300000000 ] - [ 0.0001824900000000, 0.0000380300000000, -0.0012820800000000 ] - [ -0.0001134200000000, -0.0001538400000000, -0.0013248600000000 ] - [ 0.0004616700000000, -0.0007996300000000, -0.0018625600000000 ] - [ 0.0000005700000000, 0.0000081200000000, -0.0022178100000000 ] - [ 0.0000817100000000, -0.0001426300000000, -0.0008368300000000 ] - [ -0.0002125400000000, 0.0050296900000000, 0.0030737800000000 ] - [ -0.0002302800000000, 0.0000306000000000, -0.0015916600000000 ] - [ 0.0027011400000000, 0.0073340600000000, -0.0048749100000000 ] - [ -0.0002327300000000, 0.0004031000000000, -0.0016287600000000 ] - [ 0.0007683400000000, 0.0000556300000000, -0.0014950000000000 ] - [ -0.0004938900000000, 0.0005948900000000, 0.0001717900000000 ] - [ -0.0000827700000000, -0.0000580800000000, -0.0015033500000000 ] - [ 0.0003423900000000, 0.0002169700000000, 0.0000588500000000 ] - [ -0.0000504000000000, -0.0000797000000000, -0.0012177000000000 ] - [ 0.0003439100000000, 0.0004419800000000, 0.0057654600000000 ] - [ -0.0000273700000000, 0.0000817000000000, -0.0021658600000000 ] - [ 0.0002552100000000, -0.0000236900000000, -0.0011590000000000 ] - [ 0.0006990100000000, -0.0000503600000000, -0.0014379800000000 ] - [ 0.0000826700000000, -0.0001420800000000, -0.0008368300000000 ] - [ 0.0003629600000000, 0.0013085500000000, 0.0008451000000000 ] - [ -0.0042495600000000, 0.0026989100000000, 0.0030737800000000 ] - [ -0.0000296500000000, 0.0001807900000000, -0.0012841000000000 ] - [ 0.0004727500000000, -0.0001454500000000, -0.0017692700000000 ] - [ 0.0001047700000000, 0.0000239000000000, -0.0016693300000000 ] - [ 0.0001897200000000, -0.0001907800000000, -0.0014939800000000 ] - [ -0.0003590900000000, -0.0001880300000000, 0.0000588500000000 ] - [ 0.0000862600000000, -0.0001431000000000, -0.0013344500000000 ] - [ -0.0002704400000000, -0.0001475700000000, -0.0010416500000000 ] - [ -0.0001426700000000, 0.0002471100000000, -0.0014710100000000 ] - [ -0.0000119500000000, 0.0000284800000000, -0.0009521300000000 ] - [ -0.0001104100000000, -0.0004821400000000, -0.0017692700000000 ] - [ -0.0172039300000000, 0.0018495800000000, 0.0259327600000000 ] - [ 0.0070001800000000, 0.0158238300000000, 0.0259327600000000 ] - [ -0.0000495200000000, 0.0000857700000000, -0.0025598900000000 ] - [ 0.0000742700000000, -0.0001286300000000, -0.0017452800000000 ] - [ -0.0001070900000000, -0.0002328600000000, -0.0011590000000000 ] - [ -0.0001618600000000, 0.0000248100000000, -0.0013729100000000 ] - [ 0.0002425400000000, 0.0001395700000000, -0.0016537000000000 ] - [ -0.0008009800000000, -0.0003554400000000, -0.0001116400000000 ] - [ -0.0000730800000000, -0.0000787900000000, -0.0016693300000000 ] - [ -0.0001936400000000, 0.0005816600000000, 0.0028828400000000 ] - [ 0.0007256500000000, 0.0002466400000000, 0.0004600500000000 ] - [ 0.0001541500000000, -0.0000608400000000, -0.0012945000000000 ] - [ -0.0005547200000000, -0.0000768400000000, 0.0057654600000000 ] - [ -0.0002989900000000, 0.0000206400000000, -0.0017106400000000 ] - [ 0.0000090900000000, -0.0000157400000000, -0.0022124000000000 ] - [ 0.0021017000000000, -0.0000099400000000, -0.0009328800000000 ] - [ -0.0001241800000000, -0.0001390200000000, -0.0012820800000000 ] - [ -0.0000186900000000, 0.0000245900000000, -0.0009521300000000 ] - [ 0.0000916800000000, 0.0000426400000000, -0.0015033500000000 ] - [ -0.0004478200000000, -0.0012408400000000, 0.0001869800000000 ] - [ 0.0007083100000000, 0.0005159500000000, -0.0001116400000000 ] - [ -0.0000442400000000, 0.0000766300000000, -0.0012662400000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000240800000000, -0.0000417100000000, -0.0030414300000000 ] - [ -0.0008621600000000, -0.0038675800000000, 0.0060676000000000 ] - [ -0.0002981000000000, 0.0005163200000000, -0.0022583400000000 ] - [ -0.0000777900000000, -0.0000153600000000, -0.0030694400000000 ] - [ 0.0000522000000000, 0.0000596900000000, -0.0030694400000000 ] - [ 0.0037805000000000, -0.0011871400000000, 0.0060676000000000 ] - [ 0.0029449200000000, -0.0051007500000000, -0.0067534800000000 ] - [ 0.0000100700000000, -0.0000058500000000, -0.0021281100000000 ] - [ 0.0002575800000000, 0.0002794800000000, -0.0017029400000000 ] - [ -0.0000073100000000, 0.0000126500000000, -0.0027183200000000 ] - [ 0.0002085300000000, 0.0003348600000000, -0.0020647300000000 ] - [ 0.0007995000000000, -0.0013847700000000, 0.3385362900000000 ] - [ 0.0000657900000000, -0.0001139400000000, -0.0019275600000000 ] - [ 0.0001292900000000, -0.0000458300000000, -0.0017495600000000 ] - [ 0.0004425900000000, 0.0002009100000000, -0.0025948400000000 ] - [ 0.0000816600000000, -0.0001414000000000, -0.0018424500000000 ] - [ -0.0003708200000000, -0.0000833300000000, -0.0017029400000000 ] - [ -0.0009669400000000, 0.0016747900000000, -0.0060512000000000 ] - [ 0.0000155900000000, -0.0002765700000000, -0.0013871100000000 ] - [ -0.0004359600000000, -0.0000430800000000, -0.0018360800000000 ] - [ -0.0006415300000000, 0.0000428900000000, 0.0021516400000000 ] - [ -0.0000770000000000, -0.0000991300000000, -0.0020242300000000 ] - [ 0.0003747200000000, 0.0010373200000000, 0.0020662500000000 ] - [ -0.0005909900000000, -0.0028495200000000, -0.0035157700000000 ] - [ -0.0000494000000000, 0.0001753500000000, -0.0016790800000000 ] - [ -0.0000171100000000, -0.0001805900000000, -0.0017074300000000 ] - [ -0.0000819800000000, 0.0000192800000000, -0.0024349600000000 ] - [ -0.0024983000000000, -0.0032545300000000, -0.0019150200000000 ] - [ -0.0001271500000000, 0.0001304600000000, -0.0016790800000000 ] - [ -0.0003458600000000, 0.0000107600000000, -0.0019518800000000 ] - [ -0.0010194400000000, 0.0003246700000000, -0.0015819400000000 ] - [ 0.0002534700000000, -0.0004390200000000, -0.0014917400000000 ] - [ 0.0001685400000000, -0.0002754100000000, -0.0019847100000000 ] - [ 0.0027632500000000, -0.0009129400000000, -0.0035157700000000 ] - [ 0.0001649500000000, -0.0000754800000000, -0.0017074300000000 ] - [ 0.0006121100000000, -0.0022056400000000, 0.0084608100000000 ] - [ -0.0004488200000000, 0.0007773700000000, -0.0021337200000000 ] - [ 0.0001542400000000, -0.0002836700000000, -0.0019847100000000 ] - [ 0.0002285500000000, 0.0010452000000000, -0.0015819400000000 ] - [ 0.0002077600000000, 0.0000125800000000, -0.0019772500000000 ] - [ -0.0014620100000000, 0.0025322700000000, -0.0298573000000000 ] - [ 0.0000816300000000, -0.0001414200000000, -0.0018424500000000 ] - [ 0.0047555900000000, 0.0175441700000000, -0.0062531500000000 ] - [ 0.0002552900000000, 0.0003560200000000, -0.0018360800000000 ] - [ -0.0001147700000000, -0.0001736400000000, -0.0019772500000000 ] - [ 0.0040676500000000, 0.0005363200000000, -0.0019150200000000 ] - [ 0.0002317200000000, -0.0001517900000000, -0.0013871100000000 ] - [ -0.0010857100000000, 0.0001941400000000, 0.0020662500000000 ] - [ -0.0003942600000000, -0.0000131600000000, -0.0020647300000000 ] - [ 0.0000242900000000, 0.0000806400000000, -0.0024349600000000 ] - [ -0.0054595500000000, -0.0033852000000000, -0.0000060500000000 ] - [ 0.0056614500000000, 0.0030355100000000, -0.0000060500000000 ] - [ -0.0014487200000000, 0.0025092500000000, 0.0080530500000000 ] - [ 0.0001183700000000, -0.0002050300000000, -0.0024216700000000 ] - [ -0.0010757800000000, 0.0055872000000000, 0.0017685200000000 ] - [ -0.0000249600000000, -0.0001348800000000, -0.0017495600000000 ] - [ 0.0001636200000000, 0.0003049100000000, -0.0019518800000000 ] - [ 0.0000025000000000, -0.0004139600000000, -0.0010348800000000 ] - [ 0.0010270200000000, 0.0025500400000000, 0.0122321500000000 ] - [ -0.0003952900000000, -0.0002828400000000, -0.0025948400000000 ] - [ 0.0001243500000000, 0.0000171200000000, -0.0020242300000000 ] - [ 0.0003572500000000, -0.0002091500000000, -0.0010348800000000 ] - [ -0.0007695500000000, 0.0013329000000000, -0.0012268700000000 ] - [ -0.0027219100000000, 0.0003856000000000, 0.0122321500000000 ] - [ 0.0005939000000000, -0.0010286600000000, 0.0018675900000000 ] - [ 0.0002836200000000, 0.0005770300000000, 0.0021516400000000 ] - [ -0.0175714900000000, 0.0046536300000000, -0.0062531500000000 ] - [ -0.0043007700000000, 0.0037252500000000, 0.0017685200000000 ] - [ -0.0000113900000000, 0.0000197300000000, -0.0020881600000000 ] - [ 0.0016040900000000, -0.0016329200000000, 0.0084608100000000 ] - [ 0.0000000300000000, -0.0000116500000000, -0.0021281100000000 ] - [ 0.0000263700000000, 0.0002497900000000, 0.0012425600000000 ] - [ -0.0000159800000000, 0.0000276800000000, 0.0012116000000000 ] - [ -0.0007864300000000, 0.0005398400000000, 0.0000080600000000 ] - [ 0.0016783100000000, -0.0029069300000000, 0.0024308200000000 ] - [ -0.0004174200000000, -0.0004034800000000, -0.0024519500000000 ] - [ 0.0000209800000000, -0.0000400600000000, 0.0014040000000000 ] - [ -0.0018136200000000, 0.0031412800000000, 0.0075348800000000 ] - [ 0.0001240300000000, -0.0001093700000000, 0.0007950200000000 ] - [ 0.0037382200000000, 0.0007758900000000, -0.0056823200000000 ] - [ -0.0025410500000000, -0.0028494500000000, -0.0056823200000000 ] - [ -0.0031864300000000, -0.0022801900000000, 0.0048185500000000 ] - [ -0.0000743000000000, 0.0009509900000000, 0.0000080600000000 ] - [ 0.0000683000000000, -0.0001355900000000, 0.0012977900000000 ] - [ 0.0001561900000000, 0.0001254200000000, 0.0017016800000000 ] - [ 0.0000035300000000, -0.0001875000000000, 0.0014469400000000 ] - [ -0.0001919200000000, 0.0000585100000000, 0.0017134800000000 ] - [ 0.0002498000000000, -0.0007509100000000, 0.0003704600000000 ] - [ 0.0008804900000000, 0.0005097100000000, -0.0007429700000000 ] - [ 0.0005055900000000, -0.0000189100000000, 0.0016920600000000 ] - [ 0.0001199900000000, 0.0000427700000000, 0.0012985900000000 ] - [ -0.0013760100000000, 0.0003338400000000, -0.0005717100000000 ] - [ 0.0003126200000000, 0.0006425800000000, 0.0023724100000000 ] - [ -0.0002856900000000, -0.0004829400000000, 0.0021828600000000 ] - [ 0.0005610800000000, 0.0000059500000000, 0.0021828600000000 ] - [ -0.0000691600000000, 0.0002612400000000, 0.0011782000000000 ] - [ 0.0001606200000000, -0.0000968100000000, 0.0014469400000000 ] - [ 0.0298890600000000, -0.0517693800000000, -0.1999754600000000 ] - [ 0.0003382500000000, 0.0006896000000000, 0.0015273700000000 ] - [ 0.0004057200000000, -0.0004868800000000, 0.0019602200000000 ] - [ -0.0011407900000000, 0.0019759100000000, -0.0051811000000000 ] - [ -0.0000595600000000, -0.0001638700000000, 0.0015093300000000 ] - [ -0.0038820200000000, -0.0028534000000000, -0.0043184800000000 ] - [ 0.0000327000000000, -0.0001621000000000, 0.0007950200000000 ] - [ -0.0380978700000000, 0.0659874500000000, -0.0723015800000000 ] - [ 0.0002187900000000, -0.0005948000000000, 0.0019602200000000 ] - [ 0.0044121200000000, 0.0019352300000000, -0.0043184800000000 ] - [ 0.0000324000000000, -0.0001603900000000, 0.0013100000000000 ] - [ 0.0000411200000000, 0.0000315000000000, 0.0014430300000000 ] - [ 0.0035679200000000, 0.0016194300000000, 0.0048185500000000 ] - [ 0.0001669100000000, -0.0000043000000000, 0.0012326300000000 ] - [ 0.0005581300000000, 0.0001597600000000, -0.0024519500000000 ] - [ 0.0002016600000000, -0.0003492800000000, 0.0018008600000000 ] - [ 0.0012047500000000, 0.0020012700000000, 0.0010681700000000 ] - [ 0.0001548600000000, -0.0004184600000000, -0.0030324500000000 ] - [ 0.0013216800000000, -0.0003458100000000, -0.0005489500000000 ] - [ 0.0072813000000000, -0.0020368400000000, 0.0045349200000000 ] - [ 0.0000075900000000, -0.0000042500000000, 0.0022223100000000 ] - [ -0.0008337500000000, 0.0014441000000000, -0.0033587700000000 ] - [ 0.0007253900000000, -0.0012564200000000, -0.0009379700000000 ] - [ -0.0002533600000000, 0.0004388300000000, 0.0016740700000000 ] - [ 0.0000204300000000, -0.0001690800000000, 0.0016991500000000 ] - [ -0.0002364200000000, -0.0004473100000000, 0.0016920600000000 ] - [ -0.0006118900000000, 0.0010598200000000, 0.0021371600000000 ] - [ -0.0000001200000000, -0.0000086900000000, 0.0022223100000000 ] - [ 0.0000316700000000, 0.0001500800000000, 0.0012100000000000 ] - [ 0.0002932000000000, -0.0052305000000000, -0.0032156400000000 ] - [ 0.0001717000000000, -0.0000303500000000, 0.0015093300000000 ] - [ -0.0018767000000000, -0.0073242100000000, 0.0045349200000000 ] - [ -0.0001162000000000, 0.0002012600000000, 0.0012647000000000 ] - [ -0.0007128000000000, 0.0000505600000000, 0.0023724100000000 ] - [ 0.0005254100000000, -0.0005917900000000, 0.0003704600000000 ] - [ -0.0001287200000000, 0.0000514300000000, 0.0015743300000000 ] - [ -0.0004107100000000, -0.0003083200000000, -0.0004436200000000 ] - [ -0.0000797300000000, -0.0001467000000000, 0.0012326300000000 ] - [ -0.0006667200000000, -0.0010019100000000, -0.0057400500000000 ] - [ -0.0000970400000000, -0.0000825300000000, 0.0012985900000000 ] - [ 0.0000027300000000, 0.0000233300000000, 0.0011499100000000 ] - [ -0.0007663400000000, 0.0000518600000000, 0.0015273700000000 ] - [ -0.0001458100000000, 0.0000476100000000, 0.0012100000000000 ] - [ -0.0003613600000000, -0.0013175100000000, -0.0005489500000000 ] - [ 0.0043831500000000, -0.0028691700000000, -0.0032156400000000 ] - [ -0.0001867100000000, -0.0000725600000000, 0.0017016800000000 ] - [ 0.0002227900000000, 0.0001494500000000, 0.0014082800000000 ] - [ -0.0000921700000000, -0.0002668300000000, 0.0012587500000000 ] - [ -0.0001916600000000, 0.0001905200000000, 0.0011782000000000 ] - [ 0.0004723700000000, 0.0002015200000000, -0.0004436200000000 ] - [ 0.0000242000000000, -0.0000382000000000, 0.0014040000000000 ] - [ 0.0001227000000000, -0.0001082500000000, 0.0013100000000000 ] - [ 0.0000148400000000, -0.0000257000000000, 0.0014636800000000 ] - [ 0.0001115700000000, 0.0001557600000000, 0.0008822400000000 ] - [ -0.0002408200000000, -0.0001182100000000, 0.0014082800000000 ] - [ 0.0165176200000000, -0.0025080300000000, -0.0253534600000000 ] - [ -0.0060867900000000, -0.0155587000000000, -0.0253534600000000 ] - [ 0.0000789300000000, -0.0001367100000000, 0.0026606400000000 ] - [ -0.0000456700000000, 0.0000791100000000, 0.0016636900000000 ] - [ -0.0000215700000000, 0.0000093000000000, 0.0011499100000000 ] - [ -0.0000478400000000, -0.0000198600000000, 0.0014430300000000 ] - [ -0.0002295100000000, 0.0001020600000000, 0.0012425600000000 ] - [ 0.0008702400000000, 0.0005777900000000, 0.0002462400000000 ] - [ 0.0002771700000000, -0.0000535900000000, 0.0012587500000000 ] - [ 0.0002849600000000, -0.0003433400000000, -0.0030324500000000 ] - [ -0.0008816700000000, -0.0005076700000000, -0.0007429700000000 ] - [ 0.0000452900000000, 0.0001954600000000, 0.0017134800000000 ] - [ 0.0012010400000000, 0.0000764400000000, -0.0057400500000000 ] - [ 0.0000832700000000, -0.0001269400000000, 0.0012977900000000 ] - [ -0.0000086600000000, 0.0000150000000000, 0.0022174400000000 ] - [ -0.0023355200000000, -0.0000427100000000, 0.0010681700000000 ] - [ 0.0001362100000000, -0.0001022300000000, 0.0016991500000000 ] - [ -0.0001906700000000, -0.0000187400000000, 0.0008822400000000 ] - [ 0.0000198200000000, 0.0001371900000000, 0.0015743300000000 ] - [ 0.0003988900000000, 0.0013585800000000, -0.0005717100000000 ] - [ -0.0009355000000000, -0.0004647500000000, 0.0002462400000000 ] - [ -0.0000854100000000, 0.0001479300000000, 0.0012815500000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001149300000000, 0.0005979100000000, 0.0007358200000000 ] - [ 0.0001821600000000, 0.0000328300000000, -0.0000028100000000 ] - [ 0.0039193100000000, -0.0011566000000000, 0.0002067200000000 ] - [ -0.0001459100000000, -0.0006862000000000, 0.0007374000000000 ] - [ 0.0010718200000000, 0.0000809300000000, -0.0014765100000000 ] - [ -0.0002723100000000, 0.0000013600000000, 0.0000023800000000 ] - [ 0.0000115100000000, 0.0000006100000000, -0.0002028200000000 ] - [ -0.0093535300000000, 0.0000860400000000, 0.0001292000000000 ] - [ -0.0050974000000000, 0.0002428100000000, 0.0061057500000000 ] - [ 0.0014373700000000, -0.0002010200000000, -0.0004203900000000 ] - [ 0.0107915000000000, -0.0171890000000000, 0.0152536100000000 ] - [ 0.0000504200000000, -0.0000163800000000, 0.0000822700000000 ] - [ 0.0001129000000000, 0.0001006400000000, 0.0004214900000000 ] - [ -0.2492063400000000, -0.0004780100000000, -0.0021156000000000 ] - [ 0.0000415700000000, -0.0000178600000000, -0.0001065200000000 ] - [ 0.0000702600000000, 0.0001931700000000, -0.0000083800000000 ] - [ 0.0018047500000000, -0.0026309500000000, 0.0018171600000000 ] - [ 0.0000477000000000, -0.0000571700000000, -0.0003048600000000 ] - [ 0.0000956100000000, 0.0013806100000000, 0.0002380600000000 ] - [ 0.0182556100000000, -0.0014631500000000, 0.0075886400000000 ] - [ 0.0002389000000000, 0.0000304500000000, 0.0001019700000000 ] - [ 0.0116075100000000, -0.0074661200000000, -0.0099292800000000 ] - [ -0.0000941500000000, 0.0002301200000000, 0.0001024700000000 ] - [ 0.0052196200000000, 0.0007580300000000, -0.0023726600000000 ] - [ 0.0037513300000000, -0.0136913600000000, 0.0063981700000000 ] - [ -0.0001738400000000, -0.0002909300000000, -0.0000599500000000 ] - [ -0.0001619600000000, -0.0000005700000000, -0.0001704300000000 ] - [ -0.0000860200000000, -0.0000094900000000, -0.0003169200000000 ] - [ 0.0035721800000000, 0.0138519200000000, 0.0042016300000000 ] - [ -0.0113801200000000, -0.0049942600000000, -0.0060145400000000 ] - [ -0.0000356600000000, 0.0000019500000000, -0.0003141300000000 ] - [ -0.0012773900000000, 0.0123043000000000, -0.0043017100000000 ] - [ 0.0023326400000000, -0.0050331800000000, 0.0004012700000000 ] - [ -0.0042995300000000, 0.0003850800000000, -0.0107827600000000 ] - [ 0.0002038600000000, 0.0000073800000000, 0.0000758800000000 ] - [ 0.0000614400000000, 0.0000098800000000, 0.0003179000000000 ] - [ -0.0001454400000000, 0.0002558300000000, 0.0001293100000000 ] - [ 0.0104597800000000, 0.0077041500000000, -0.0090570300000000 ] - [ 0.0000225500000000, -0.0000071600000000, -0.0003141300000000 ] - [ 0.0000089800000000, -0.0000607700000000, -0.0001461400000000 ] - [ 0.0011595600000000, -0.0005551400000000, -0.0012342400000000 ] - [ -0.0001972100000000, -0.0000004900000000, -0.0000171900000000 ] - [ 0.0002844500000000, -0.0000217200000000, 0.0000877900000000 ] - [ -0.0036457800000000, -0.0115806600000000, -0.0023540100000000 ] - [ 0.0000899300000000, -0.0001842000000000, -0.0000093200000000 ] - [ 0.0000476000000000, 0.0000659200000000, -0.0003503100000000 ] - [ -0.0037262700000000, -0.0004294000000000, 0.0043983900000000 ] - [ -0.0001823400000000, 0.0002056200000000, 0.0001071700000000 ] - [ 0.0105369300000000, 0.0003336100000000, -0.0008306000000000 ] - [ 0.0001109400000000, -0.0001001200000000, -0.0001692400000000 ] - [ 0.0005570400000000, 0.0000555000000000, 0.0013129000000000 ] - [ -0.0006903100000000, -0.0006507700000000, -0.0001801700000000 ] - [ 0.0000319300000000, -0.0000315300000000, -0.0003606700000000 ] - [ 0.0276912500000000, 0.0000807500000000, -0.0095753800000000 ] - [ -0.0000058900000000, -0.0007357000000000, 0.0000161800000000 ] - [ 0.0033434300000000, 0.0029300500000000, 0.0003201400000000 ] - [ 0.0019636100000000, 0.0051345100000000, 0.0005933100000000 ] - [ 0.0000263300000000, 0.0000455300000000, -0.0003205600000000 ] - [ 0.0000861400000000, 0.0000957000000000, -0.0001748000000000 ] - [ 0.0000701100000000, 0.0000875500000000, 0.0000389600000000 ] - [ -0.0095793100000000, 0.0035933500000000, -0.0055842200000000 ] - [ -0.0000762500000000, 0.0000127700000000, -0.0003177500000000 ] - [ 0.0000339700000000, -0.0000614700000000, -0.0003158200000000 ] - [ -0.0001179100000000, -0.0000144400000000, -0.0003167400000000 ] - [ -0.0005471700000000, 0.0005204500000000, -0.0002896700000000 ] - [ -0.0001668200000000, -0.0001928200000000, 0.0001029500000000 ] - [ -0.0001217500000000, -0.0002454000000000, 0.0000846200000000 ] - [ 0.0004839300000000, 0.0003658400000000, 0.0005667600000000 ] - [ 0.0102152500000000, 0.0170512600000000, 0.0154104400000000 ] - [ 0.0000005400000000, -0.0000503500000000, 0.0002354300000000 ] - [ 0.0016405800000000, 0.0001778700000000, 0.0001696900000000 ] - [ -0.0000739500000000, 0.0001292800000000, -0.0002912900000000 ] - [ 0.0024635700000000, -0.0078882500000000, -0.0020930700000000 ] - [ 0.0014302300000000, 0.0001013700000000, 0.0000558600000000 ] - [ -0.0000744700000000, 0.0001217300000000, -0.0001279400000000 ] - [ -0.0000080500000000, -0.0000108900000000, -0.0002806300000000 ] - [ 0.0001909500000000, -0.0056291800000000, -0.0001449500000000 ] - [ -0.0012767300000000, 0.0001461300000000, 0.0025586100000000 ] - [ 0.0000831700000000, -0.0000786300000000, -0.0000155300000000 ] - [ 0.0000780900000000, 0.0001929000000000, -0.0002123300000000 ] - [ -0.0001334800000000, 0.0000639900000000, 0.0000449300000000 ] - [ 0.0000419200000000, -0.0000014600000000, -0.0001795700000000 ] - [ -0.0003315200000000, -0.0013863500000000, 0.0009969500000000 ] - [ 0.0000024700000000, 0.0001963000000000, -0.0000385200000000 ] - [ -0.0003452500000000, -0.0002459800000000, 0.0072727200000000 ] - [ -0.0003835600000000, 0.0034044700000000, 0.0000774900000000 ] - [ 0.0061030000000000, 0.0039165900000000, -0.0033893200000000 ] - [ 0.0006530300000000, 0.0010007500000000, -0.0008460500000000 ] - [ 0.0001570200000000, -0.0000021500000000, -0.0001363400000000 ] - [ -0.0005543800000000, 0.0022482000000000, -0.0006005500000000 ] - [ -0.0098337200000000, -0.0000715100000000, 0.0026532900000000 ] - [ -0.0000290700000000, 0.0000461300000000, -0.0001824000000000 ] - [ -0.0000572500000000, 0.0000034800000000, 0.0004090900000000 ] - [ -0.0037285500000000, 0.0058785700000000, 0.0077566800000000 ] - [ -0.0057949500000000, 0.0003623200000000, 0.0003369200000000 ] - [ -0.0019237500000000, -0.0007900700000000, -0.0001622100000000 ] - [ -0.0040457300000000, -0.0045090500000000, -0.0056905400000000 ] - [ -0.0003487200000000, 0.0003870500000000, 0.0003820900000000 ] - [ 0.0000271300000000, 0.0000507700000000, 0.0000423000000000 ] - [ -0.0000975100000000, -0.0000024600000000, -0.0000642000000000 ] - [ 0.0001967100000000, -0.0002604700000000, 0.0001683000000000 ] - [ -0.0003648500000000, 0.0063174300000000, -0.0001600900000000 ] - [ 0.0000571300000000, 0.0000991900000000, -0.0000818200000000 ] - [ 0.0000620300000000, -0.0001150200000000, -0.0000416800000000 ] - [ -0.0000062900000000, 0.0000001900000000, -0.0002214200000000 ] - [ 0.0000159500000000, 0.0000816300000000, -0.0000453300000000 ] - [ -0.0000976900000000, -0.0000272100000000, -0.0000578500000000 ] - [ 0.0038614900000000, -0.0012356700000000, -0.0018758900000000 ] - [ 0.0378190100000000, 0.0343741000000000, -0.0134057800000000 ] - [ -0.0000231700000000, -0.0000465400000000, -0.0001829700000000 ] - [ -0.0007114300000000, -0.0030218600000000, 0.0029700600000000 ] - [ 0.0000340000000000, -0.0000040800000000, -0.0003020700000000 ] - [ 0.0000349000000000, -0.0000606700000000, 0.0004095600000000 ] - [ -0.0011439500000000, -0.0001392600000000, -0.0006210900000000 ] - [ -0.0001093200000000, 0.0000298800000000, -0.0000566200000000 ] - [ 0.0000124200000000, 0.0000020800000000, 0.0001610200000000 ] - [ -0.0010102500000000, -0.0002540600000000, -0.0005595900000000 ] - [ 0.0013139300000000, -0.0000063100000000, 0.0000017300000000 ] - [ -0.0002083100000000, 0.0003124200000000, 0.0001415200000000 ] - [ -0.0001802400000000, 0.0002178500000000, -0.0002544700000000 ] - [ 0.0002681200000000, -0.0009346700000000, -0.0000460700000000 ] - [ 0.0068031600000000, -0.0039173000000000, -0.0032679400000000 ] - [ -0.0034203900000000, -0.0009534400000000, 0.0011809900000000 ] - [ -0.0042670100000000, -0.0038807800000000, 0.0075673200000000 ] - [ -0.0003928400000000, 0.0000838900000000, -0.0000008200000000 ] - [ 0.0052961200000000, 0.0003983700000000, -0.0014539300000000 ] - [ 0.0000244200000000, -0.0001296200000000, -0.0000516300000000 ] - [ -0.0025176100000000, -0.0037312200000000, 0.0007294600000000 ] - [ 0.0002107000000000, 0.0006986100000000, 0.0003424800000000 ] - [ -0.0001366300000000, 0.0002315200000000, -0.0002711600000000 ] - [ 0.0000271300000000, 0.0000543100000000, 0.0004888400000000 ] - [ 0.0004776400000000, -0.0011021800000000, -0.0008883000000000 ] - [ 0.1083208000000000, 0.0055582600000000, 0.0307280800000000 ] - [ -0.0000321400000000, -0.0000552500000000, -0.0001870300000000 ] - [ -0.0011453700000000, 0.0034543900000000, 0.0035135000000000 ] - [ -0.0001516700000000, -0.0001286300000000, -0.0001344600000000 ] - [ 0.0028730400000000, 0.0067202300000000, -0.0019229000000000 ] - [ 0.0001641600000000, -0.0000546300000000, 0.0000444100000000 ] - [ -0.0000284500000000, -0.0000276800000000, 0.0000632000000000 ] - [ -0.0005535300000000, -0.0029481500000000, 0.0001386500000000 ] - [ -0.0000046800000000, 0.0000012700000000, 0.0001611600000000 ] - [ 0.0000975400000000, -0.0000827000000000, -0.0000455200000000 ] - [ 0.0001504400000000, 0.0013646900000000, -0.0000116300000000 ] - [ 0.0002653700000000, 0.0000133400000000, -0.0002768200000000 ] - [ -0.0000714000000000, -0.0001334000000000, -0.0002929200000000 ] - [ 0.0208635800000000, 0.0003278600000000, 0.0000501700000000 ] - [ 0.0000658300000000, 0.0000028100000000, -0.0001868100000000 ] - [ 0.0455732800000000, -0.0371372700000000, -0.0151179300000000 ] - [ -0.0027157000000000, 0.0040852200000000, -0.0052626900000000 ] - [ -0.0001253400000000, 0.0001096700000000, -0.0001170800000000 ] - [ 0.0000784100000000, 0.0000818000000000, -0.0000197300000000 ] - [ -0.0002686100000000, -0.0004335600000000, -0.0000024900000000 ] - [ -0.0002823700000000, -0.0003378100000000, 0.0001529100000000 ] - [ 0.0004022700000000, 0.0000514400000000, 0.0001854600000000 ] - [ -0.0000247400000000, -0.0000162100000000, 0.0000236900000000 ] - [ -0.0100617300000000, 0.0030491300000000, -0.0007248200000000 ] - [ -0.0000327400000000, -0.0000583000000000, 0.0000535200000000 ] - [ -0.0037135800000000, 0.0029050600000000, 0.0003404200000000 ] - [ 0.0001400000000000, 0.0001197500000000, -0.0000962600000000 ] - [ 0.0018074900000000, 0.0003046600000000, -0.0002043600000000 ] - [ 0.0001651600000000, -0.0000262000000000, -0.0002620400000000 ] - [ 0.0000614500000000, 0.0001144300000000, -0.0000875200000000 ] - [ -0.0000729700000000, -0.0001231900000000, -0.0001297500000000 ] - [ -0.0032505800000000, 0.0007620900000000, 0.0013372700000000 ] - [ 0.0002729400000000, -0.0000423400000000, -0.0002425400000000 ] - [ -0.0000456000000000, -0.0000938700000000, -0.0002636200000000 ] - [ -0.0003543400000000, -0.0000931200000000, -0.0000008100000000 ] - [ 0.0014746100000000, -0.0002418500000000, 0.0002987800000000 ] - [ -0.0010130700000000, -0.0022412000000000, -0.0007163900000000 ] - [ -0.0001078100000000, 0.0000314500000000, -0.0000125300000000 ] - [ -0.0089529400000000, -0.0044512300000000, -0.0001146200000000 ] - [ -0.0000277200000000, 0.0000607000000000, -0.0001854500000000 ] - [ -0.0000075800000000, 0.0000107000000000, -0.0001729600000000 ] - [ -0.0066897900000000, 0.0001745700000000, -0.0064193300000000 ]- atom: 14 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001722200000000, -0.0006995200000000, -0.0007411900000000 ] - [ -0.0001814900000000, -0.0000314300000000, -0.0000028000000000 ] - [ -0.0039248900000000, 0.0011216100000000, 0.0002067500000000 ] - [ 0.0000289600000000, 0.0006879700000000, -0.0007426500000000 ] - [ -0.0010108800000000, 0.0000219900000000, 0.0014805100000000 ] - [ 0.0002733800000000, -0.0000007400000000, 0.0000024000000000 ] - [ -0.0000114600000000, -0.0000006400000000, -0.0002028300000000 ] - [ 0.0093573200000000, -0.0000876300000000, 0.0001291600000000 ] - [ 0.0048980500000000, 0.0002311900000000, -0.0062778300000000 ] - [ -0.0014437600000000, 0.0001872300000000, -0.0004203900000000 ] - [ -0.0105974600000000, 0.0173706000000000, -0.0150914700000000 ] - [ -0.0000671800000000, 0.0000579900000000, 0.0003415500000000 ] - [ -0.0001150200000000, -0.0001042800000000, 0.0004214800000000 ] - [ 0.2422941300000000, -0.0004782300000000, -0.0020626700000000 ] - [ -0.0002901600000000, -0.0000079700000000, 0.0000247100000000 ] - [ 0.0000250300000000, 0.0000330500000000, -0.0000753000000000 ] - [ -0.0020160200000000, 0.0031419600000000, -0.0020381100000000 ] - [ 0.0000203200000000, -0.0000592900000000, -0.0003239300000000 ] - [ -0.0004030200000000, -0.0017835100000000, -0.0004265700000000 ] - [ -0.0183665400000000, 0.0016336200000000, -0.0070402200000000 ] - [ 0.0002820600000000, 0.0000367400000000, 0.0000941700000000 ] - [ -0.0118400400000000, 0.0070872500000000, 0.0099029500000000 ] - [ -0.0001077600000000, 0.0002546800000000, 0.0000932900000000 ] - [ -0.0046797900000000, -0.0008144500000000, 0.0021474000000000 ] - [ -0.0036084300000000, 0.0138177900000000, -0.0057146800000000 ] - [ -0.0001042200000000, -0.0001912200000000, 0.0001557700000000 ] - [ 0.0001555700000000, -0.0000015100000000, -0.0001704400000000 ] - [ -0.0000731700000000, 0.0000039500000000, -0.0003390500000000 ] - [ -0.0036139000000000, -0.0138872200000000, -0.0035060300000000 ] - [ 0.0110936000000000, 0.0049534800000000, 0.0060584100000000 ] - [ 0.0000369200000000, 0.0000020100000000, -0.0003139900000000 ] - [ 0.0012833900000000, -0.0124069300000000, 0.0049515700000000 ] - [ -0.0021749800000000, 0.0048240000000000, -0.0003069700000000 ] - [ 0.0039717800000000, -0.0008580500000000, 0.0105418600000000 ] - [ 0.0003548100000000, -0.0000079300000000, 0.0000216100000000 ] - [ -0.0000167300000000, -0.0000036100000000, 0.0001069100000000 ] - [ -0.0001347700000000, 0.0002275900000000, -0.0000317700000000 ] - [ -0.0103115700000000, -0.0080288000000000, 0.0092145900000000 ] - [ -0.0000197700000000, 0.0000104300000000, -0.0003139700000000 ] - [ 0.0000931200000000, -0.0001673000000000, 0.0000641600000000 ] - [ -0.0011774100000000, 0.0005923900000000, 0.0007947300000000 ] - [ -0.0000412200000000, 0.0000224400000000, -0.0000654500000000 ] - [ 0.0002357300000000, -0.0000488800000000, 0.0001081700000000 ] - [ 0.0034064000000000, 0.0115441400000000, 0.0030203900000000 ] - [ 0.0000485400000000, -0.0000112900000000, -0.0000732800000000 ] - [ 0.0000305400000000, 0.0000691900000000, -0.0003038900000000 ] - [ 0.0043406700000000, 0.0004358600000000, -0.0045420600000000 ] - [ -0.0001388300000000, 0.0002098600000000, 0.0000892300000000 ] - [ -0.0108488200000000, -0.0003564800000000, 0.0009659000000000 ] - [ -0.0001094600000000, 0.0000936400000000, -0.0001692600000000 ] - [ -0.0004508400000000, 0.0001088800000000, -0.0007563700000000 ] - [ 0.0004916300000000, 0.0006597000000000, 0.0007448600000000 ] - [ 0.0000641100000000, -0.0001340300000000, -0.0002068500000000 ] - [ -0.0274301200000000, -0.0001844300000000, 0.0102455700000000 ] - [ -0.0000108100000000, 0.0006969200000000, -0.0004421800000000 ] - [ -0.0033450600000000, -0.0028988300000000, 0.0003199800000000 ] - [ -0.0018485300000000, -0.0048984200000000, -0.0004951200000000 ] - [ 0.0000409900000000, 0.0000709300000000, -0.0003080300000000 ] - [ 0.0000097800000000, 0.0000696800000000, -0.0003945200000000 ] - [ 0.0000779400000000, 0.0001080400000000, -0.0001227300000000 ] - [ 0.0100833700000000, -0.0035272200000000, 0.0054428200000000 ] - [ -0.0000586100000000, -0.0000120100000000, -0.0003110300000000 ] - [ 0.0000408000000000, -0.0000791900000000, -0.0003401700000000 ] - [ -0.0000737600000000, 0.0000153200000000, -0.0002509300000000 ] - [ 0.0006285400000000, -0.0006941000000000, 0.0008547400000000 ] - [ -0.0001531200000000, -0.0002245400000000, 0.0000915800000000 ] - [ -0.0000802300000000, -0.0002403700000000, 0.0001102100000000 ] - [ -0.0004401700000000, -0.0003636900000000, -0.0010037500000000 ] - [ -0.0104473100000000, -0.0165675300000000, -0.0154491800000000 ] - [ -0.0000212600000000, 0.0000142300000000, 0.0001870200000000 ] - [ -0.0016430700000000, -0.0001742400000000, 0.0001697200000000 ] - [ -0.0001416200000000, -0.0000171700000000, -0.0001199700000000 ] - [ -0.0023849900000000, 0.0077495600000000, 0.0012043700000000 ] - [ -0.0012471600000000, -0.0002525100000000, 0.0000375000000000 ] - [ -0.0000727500000000, 0.0001341100000000, -0.0001351000000000 ] - [ -0.0000101000000000, -0.0000201900000000, -0.0002548500000000 ] - [ -0.0000924100000000, 0.0053947000000000, 0.0002044200000000 ] - [ 0.0012634900000000, -0.0001123900000000, -0.0019999200000000 ] - [ 0.0000272200000000, -0.0001018700000000, -0.0000503000000000 ] - [ 0.0001360500000000, 0.0001839500000000, 0.0002144800000000 ] - [ -0.0003129300000000, -0.0000694400000000, -0.0000451100000000 ] - [ 0.0000737100000000, -0.0000020500000000, -0.0001882600000000 ] - [ 0.0004091200000000, 0.0011538300000000, -0.0008595800000000 ] - [ 0.0001970800000000, -0.0000593900000000, -0.0003797700000000 ] - [ 0.0003262200000000, 0.0004868800000000, -0.0068723600000000 ] - [ 0.0003257000000000, -0.0032997300000000, 0.0002870200000000 ] - [ -0.0062861500000000, -0.0040252800000000, 0.0038063300000000 ] - [ -0.0006824200000000, -0.0010300800000000, 0.0013896100000000 ] - [ 0.0001382300000000, 0.0000024600000000, -0.0001267500000000 ] - [ 0.0012535400000000, -0.0022376300000000, 0.0009639700000000 ] - [ 0.0099752800000000, 0.0001704700000000, -0.0035989700000000 ] - [ -0.0000319300000000, 0.0000522700000000, -0.0001856200000000 ] - [ -0.0000703700000000, -0.0000060600000000, 0.0004628700000000 ] - [ 0.0036638300000000, -0.0059272000000000, -0.0073204200000000 ] - [ 0.0059169500000000, -0.0003719500000000, 0.0000414200000000 ] - [ 0.0019247300000000, 0.0007740300000000, -0.0001620000000000 ] - [ 0.0039920600000000, 0.0046908200000000, 0.0061285200000000 ] - [ 0.0000269900000000, 0.0001791400000000, -0.0003771100000000 ] - [ 0.0000030700000000, 0.0000015600000000, 0.0000445900000000 ] - [ -0.0001164000000000, -0.0000025800000000, -0.0000015000000000 ] - [ 0.0000281200000000, -0.0001259700000000, -0.0001685200000000 ] - [ 0.0003897900000000, -0.0062124900000000, 0.0000671000000000 ] - [ 0.0001038800000000, 0.0000791900000000, -0.0000452500000000 ] - [ 0.0000406500000000, -0.0000726600000000, -0.0000239700000000 ] - [ -0.0000100500000000, 0.0000281400000000, -0.0003152400000000 ] - [ 0.0000938700000000, 0.0000965000000000, -0.0000218700000000 ] - [ -0.0001327300000000, -0.0000213900000000, -0.0000684300000000 ] - [ -0.0035792800000000, 0.0012030800000000, 0.0021160100000000 ] - [ -0.0378040000000000, -0.0353824500000000, 0.0139764800000000 ] - [ -0.0000252000000000, -0.0000547700000000, -0.0001841000000000 ] - [ 0.0009457800000000, 0.0030006100000000, -0.0029274400000000 ] - [ -0.0000010600000000, 0.0000037900000000, -0.0002349100000000 ] - [ 0.0000267300000000, -0.0000511200000000, 0.0004625000000000 ] - [ 0.0013000800000000, 0.0003141300000000, 0.0007609200000000 ] - [ -0.0001215100000000, 0.0000185000000000, -0.0000713600000000 ] - [ -0.0000131600000000, -0.0000003500000000, 0.0001607800000000 ] - [ 0.0006037600000000, -0.0004455000000000, 0.0002473700000000 ] - [ -0.0013178700000000, 0.0000051400000000, 0.0000017400000000 ] - [ -0.0002017900000000, 0.0003826100000000, 0.0001774300000000 ] - [ -0.0002281800000000, 0.0004824200000000, -0.0000635800000000 ] - [ -0.0006085800000000, 0.0015444200000000, 0.0004094700000000 ] - [ -0.0065679200000000, 0.0037896400000000, 0.0036808300000000 ] - [ 0.0030771200000000, 0.0003683800000000, -0.0008400600000000 ] - [ 0.0041038900000000, 0.0041073500000000, -0.0072503900000000 ] - [ 0.0003934700000000, -0.0000873300000000, -0.0000008300000000 ] - [ -0.0051794700000000, -0.0003458500000000, 0.0018047100000000 ] - [ 0.0000493500000000, -0.0000942900000000, -0.0000741100000000 ] - [ 0.0024325000000000, 0.0037438500000000, -0.0008349300000000 ] - [ 0.0005987200000000, -0.0007041100000000, -0.0006552000000000 ] - [ -0.0002074400000000, 0.0003748300000000, -0.0000958600000000 ] - [ 0.0000331600000000, 0.0000502100000000, 0.0003824300000000 ] - [ -0.0004547000000000, 0.0011095500000000, 0.0014354700000000 ] - [ -0.1013601300000000, -0.0051878800000000, -0.0277136500000000 ] - [ -0.0000314200000000, -0.0000374200000000, -0.0001800000000000 ] - [ 0.0009931800000000, -0.0036610700000000, -0.0034686000000000 ] - [ -0.0001678700000000, -0.0004229100000000, 0.0001369700000000 ] - [ -0.0029805200000000, -0.0066931800000000, 0.0010309900000000 ] - [ 0.0000938500000000, 0.0000531300000000, -0.0000570300000000 ] - [ -0.0000287300000000, 0.0000288300000000, 0.0000226000000000 ] - [ 0.0004871600000000, 0.0028610700000000, 0.0002252700000000 ] - [ 0.0000065600000000, -0.0000010900000000, 0.0001609500000000 ] - [ 0.0000603000000000, -0.0000925300000000, -0.0000829400000000 ] - [ -0.0003626800000000, -0.0012544700000000, 0.0004213000000000 ] - [ 0.0004318100000000, -0.0000080400000000, -0.0000902600000000 ] - [ 0.0000863200000000, -0.0001072900000000, -0.0001220500000000 ] - [ -0.0208452700000000, -0.0003124400000000, 0.0000505500000000 ] - [ 0.0000508200000000, 0.0000007200000000, -0.0001831000000000 ] - [ -0.0459112500000000, 0.0386190300000000, 0.0158888700000000 ] - [ 0.0025548700000000, -0.0043949500000000, 0.0055637200000000 ] - [ -0.0000048100000000, 0.0001130100000000, 0.0001041400000000 ] - [ 0.0000211900000000, 0.0001025400000000, -0.0000473600000000 ] - [ -0.0000780900000000, -0.0001669900000000, -0.0003634400000000 ] - [ -0.0001215200000000, -0.0003613100000000, 0.0001686800000000 ] - [ 0.0004047600000000, -0.0000588500000000, 0.0001336400000000 ] - [ 0.0000544200000000, -0.0000327900000000, 0.0000621800000000 ] - [ 0.0101157500000000, -0.0031114800000000, 0.0006122400000000 ] - [ -0.0000980800000000, -0.0001681300000000, -0.0000648000000000 ] - [ 0.0034813400000000, -0.0029121100000000, -0.0002868400000000 ] - [ -0.0001216900000000, 0.0001215100000000, -0.0003213100000000 ] - [ -0.0017698500000000, -0.0000841500000000, 0.0003166700000000 ] - [ 0.0000399400000000, -0.0001039300000000, -0.0001488100000000 ] - [ 0.0000119600000000, 0.0001143400000000, -0.0000402100000000 ] - [ -0.0000748100000000, -0.0001326000000000, -0.0001329900000000 ] - [ 0.0034530700000000, -0.0006426200000000, -0.0009424500000000 ] - [ 0.0003780000000000, 0.0000459700000000, 0.0002452100000000 ] - [ -0.0001700100000000, -0.0000139200000000, -0.0001508000000000 ] - [ 0.0003544000000000, 0.0000934800000000, -0.0000008200000000 ] - [ -0.0016829800000000, 0.0001663800000000, -0.0002034000000000 ] - [ 0.0010300000000000, 0.0019968300000000, 0.0011293700000000 ] - [ -0.0001034700000000, -0.0000260700000000, -0.0000533400000000 ] - [ 0.0090877900000000, 0.0046288300000000, 0.0001629700000000 ] - [ -0.0000276000000000, 0.0000422000000000, -0.0001844000000000 ] - [ -0.0002225400000000, 0.0000321500000000, 0.0003021900000000 ] - [ 0.0065858300000000, 0.0000450300000000, 0.0064588800000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006297100000000, 0.0009934800000000, 0.0033200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0058160100000000 ] - [ 0.0005455200000000, -0.0010420800000000, 0.0033200200000000 ] - [ -0.0011752300000000, 0.0000486100000000, 0.0033200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0180813500000000 ] - [ 0.0111528700000000, 0.0183148200000000, 0.0143476300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001010500000000 ] - [ 0.0104003100000000, -0.0051942100000000, -0.0003106400000000 ] - [ 0.0000217100000000, -0.0000555700000000, 0.0022757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022281000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2115905700000000 ] - [ -0.0003429800000000, 0.0000229700000000, 0.0020197200000000 ] - [ 0.0001913800000000, 0.0002855400000000, 0.0020197200000000 ] - [ 0.0013726600000000, -0.0013897400000000, -0.0015847200000000 ] - [ 0.0000352800000000, -0.0000463800000000, 0.0019772700000000 ] - [ 0.0005172200000000, 0.0018836300000000, -0.0015847200000000 ] - [ 0.0076768500000000, -0.0011460500000000, -0.0104107800000000 ] - [ 0.0003224600000000, -0.0001849100000000, 0.0025536100000000 ] - [ -0.0100126400000000, 0.0058753900000000, 0.0001818500000000 ] - [ -0.0002285300000000, 0.0001789100000000, 0.0024564000000000 ] - [ -0.0018898800000000, -0.0004938900000000, -0.0015847200000000 ] - [ 0.0010264400000000, 0.0009264500000000, -0.0162995600000000 ] - [ -0.0001324200000000, 0.0000291800000000, 0.0021533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032361800000000 ] - [ -0.0001835500000000, 0.0000115900000000, 0.0018797100000000 ] - [ -0.0013155500000000, 0.0004257000000000, -0.0162995600000000 ] - [ -0.0007018400000000, 0.0116040400000000, -0.0003106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020523100000000 ] - [ -0.0048309300000000, -0.0060753200000000, -0.0104107800000000 ] - [ 0.0001419300000000, -0.0001267600000000, -0.0026889800000000 ] - [ -0.0214375400000000, 0.0005012600000000, 0.0143476300000000 ] - [ 0.0000409400000000, -0.0001292700000000, 0.0021533100000000 ] - [ -0.0000589800000000, 0.0000089800000000, 0.0022757700000000 ] - [ 0.0000914800000000, 0.0001000900000000, 0.0021533100000000 ] - [ -0.0096984700000000, -0.0064098300000000, -0.0003106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019684300000000 ] - [ 0.0001067700000000, -0.0003902200000000, 0.0020866000000000 ] - [ -0.0006304200000000, 0.0002046900000000, 0.0010615300000000 ] - [ -0.0003913200000000, 0.0001026500000000, 0.0020866000000000 ] - [ 0.0002692100000000, 0.0001084500000000, 0.0024564000000000 ] - [ -0.0028459100000000, 0.0072213700000000, -0.0104107800000000 ] - [ 0.0001515900000000, -0.0003085100000000, 0.0020197200000000 ] - [ 0.0001018100000000, 0.0001531600000000, 0.0018797100000000 ] - [ 0.0102846600000000, -0.0188160800000000, 0.0143476300000000 ] - [ -0.0000010900000000, 0.0003717100000000, 0.0025536100000000 ] - [ -0.0001807500000000, -0.0000595400000000, -0.0026889800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016417900000000 ] - [ 0.0032299800000000, -0.0004917000000000, 0.0023542100000000 ] - [ -0.0011891600000000, 0.0030431000000000, 0.0023542100000000 ] - [ -0.0000115400000000, -0.0001407700000000, 0.0021205000000000 ] - [ 0.0002891100000000, -0.0013521500000000, -0.0162995600000000 ] - [ 0.0001379500000000, -0.0006483000000000, 0.0010615300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073938000000000 ] - [ 0.0000388100000000, 0.0001863000000000, -0.0026889800000000 ] - [ 0.0000225200000000, 0.0000537400000000, 0.0019772700000000 ] - [ 0.0001276800000000, 0.0000603900000000, 0.0021205000000000 ] - [ 0.0002845500000000, 0.0002875700000000, 0.0020866000000000 ] - [ -0.0000819200000000, -0.0116089000000000, 0.0001818500000000 ] - [ -0.0000578100000000, -0.0000073700000000, 0.0019772700000000 ] - [ 0.0000817400000000, -0.0001647500000000, 0.0018797100000000 ] - [ -0.0001161400000000, 0.0000803800000000, 0.0021205000000000 ] - [ -0.0020408200000000, -0.0025513900000000, 0.0023542100000000 ] - [ -0.0000406800000000, -0.0002873700000000, 0.0024564000000000 ] - [ -0.0003213600000000, -0.0001868000000000, 0.0025536100000000 ] - [ 0.0004924700000000, 0.0004436200000000, 0.0010615300000000 ] - [ 0.0100945600000000, 0.0057335100000000, 0.0001818500000000 ] - [ 0.0000372700000000, 0.0000465800000000, 0.0022757700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007859000000000 ] - [ -0.0001005500000000, 0.0000535400000000, -0.0016722300000000 ] - [ -0.0015260900000000, -0.0033128700000000, 0.0053253400000000 ] - [ 0.0032201000000000, 0.0052174800000000, -0.0072051000000000 ] - [ -0.0000924400000000, 0.0001906400000000, -0.0017125400000000 ] - [ -0.0002049500000000, -0.0002817300000000, -0.0017217500000000 ] - [ -0.0001510100000000, 0.0028978500000000, 0.0042684400000000 ] - [ 0.0020024600000000, 0.0001658700000000, 0.0000226100000000 ] - [ 0.0000318900000000, -0.0000590800000000, -0.0015913400000000 ] - [ -0.0006265700000000, 0.0004487000000000, -0.0024150500000000 ] - [ -0.0000753000000000, -0.0007669800000000, -0.0024150500000000 ] - [ 0.0000842800000000, -0.0002480400000000, -0.0016252400000000 ] - [ 0.0009278600000000, 0.0004954400000000, 0.0004704100000000 ] - [ 0.0000966400000000, 0.0000603100000000, -0.0016722300000000 ] - [ 0.0061573600000000, 0.0001328800000000, -0.0042287800000000 ] - [ 0.0000499100000000, 0.0004585600000000, 0.0040644100000000 ] - [ -0.0031937500000000, 0.0052659900000000, -0.0042287800000000 ] - [ -0.0011448800000000, 0.0016512500000000, 0.0000226100000000 ] - [ 0.0002113200000000, -0.0000152700000000, -0.0017125400000000 ] - [ -0.0005961100000000, 0.0006564600000000, 0.0007807100000000 ] - [ 0.0036320700000000, 0.0003348000000000, 0.0053253400000000 ] - [ -0.0002620700000000, -0.0000705300000000, -0.0016489700000000 ] - [ -0.0000571900000000, 0.0000427800000000, -0.0013200800000000 ] - [ 0.0085670500000000, -0.0036974600000000, 0.0062107700000000 ] - [ 0.0003721700000000, -0.0002725100000000, 0.0040644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033645200000000 ] - [ -0.0074856200000000, -0.0055705500000000, 0.0062107700000000 ] - [ 0.0000024500000000, 0.0002321300000000, -0.0016742600000000 ] - [ -0.0000434900000000, -0.0000824000000000, -0.0015646800000000 ] - [ -0.0000671100000000, 0.0000019200000000, -0.0015913400000000 ] - [ 0.0007018700000000, 0.0003182800000000, -0.0024150500000000 ] - [ -0.0003923800000000, -0.0035407800000000, 0.0046328500000000 ] - [ -0.0000986200000000, 0.0003484200000000, -0.0016730600000000 ] - [ 0.0000211300000000, -0.0000261700000000, -0.0015445000000000 ] - [ -0.0001415100000000, 0.0003183600000000, -0.0017217500000000 ] - [ 0.0000121000000000, 0.0000313800000000, -0.0015445000000000 ] - [ -0.0001865500000000, 0.0001105800000000, -0.0018144000000000 ] - [ -0.0010170300000000, -0.0067505600000000, 0.0053744300000000 ] - [ -0.0139504300000000, -0.0269669400000000, 0.0326785800000000 ] - [ 0.0001921100000000, -0.0001916900000000, -0.0016489700000000 ] - [ 0.0015819000000000, 0.0022444300000000, 0.0012272800000000 ] - [ 0.0003464600000000, -0.0000366200000000, -0.0017217500000000 ] - [ -0.0000084500000000, -0.0000709200000000, -0.0013200800000000 ] - [ -0.0008930000000000, 0.0005558300000000, 0.0004704100000000 ] - [ -0.0002524200000000, -0.0002596200000000, -0.0016730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017016700000000 ] - [ -0.0010438000000000, -0.0007158700000000, -0.0005888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042083600000000 ] - [ -0.0002262000000000, 0.0003898200000000, -0.0009545300000000 ] - [ -0.0000980600000000, 0.0012618900000000, -0.0005888400000000 ] - [ -0.0002704500000000, -0.0008444800000000, 0.0007807100000000 ] - [ -0.0029636000000000, -0.0053988700000000, -0.0042287800000000 ] - [ 0.0008665700000000, 0.0001880200000000, 0.0007807100000000 ] - [ 0.0063546700000000, 0.0024945100000000, 0.0053744300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013261600000000 ] - [ -0.0010814300000000, 0.0092680200000000, 0.0062107700000000 ] - [ 0.0003510500000000, -0.0000888000000000, -0.0016730600000000 ] - [ 0.0032626000000000, 0.0014305800000000, 0.0046328500000000 ] - [ 0.0011418600000000, -0.0005460200000000, -0.0005888400000000 ] - [ -0.0001785500000000, 0.0003234400000000, -0.0016497000000000 ] - [ 0.0000656500000000, 0.0000281400000000, -0.0013200800000000 ] - [ -0.0008575800000000, -0.0018171200000000, 0.0000226100000000 ] - [ 0.0303292700000000, 0.0014020400000000, 0.0326785800000000 ] - [ -0.0002569500000000, 0.0000510300000000, -0.0016252400000000 ] - [ 0.0011527900000000, -0.0024921800000000, 0.0012272800000000 ] - [ -0.0002022500000000, -0.0001139400000000, -0.0016742600000000 ] - [ -0.0021059800000000, 0.0029780600000000, 0.0053253400000000 ] - [ 0.0001920100000000, 0.0000747400000000, -0.0012699600000000 ] - [ 0.0000931100000000, 0.0000035400000000, -0.0015646800000000 ] - [ -0.0004220800000000, -0.0001860500000000, 0.0040644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016414800000000 ] - [ -0.0000024900000000, -0.0002168500000000, -0.0018144000000000 ] - [ -0.0001476000000000, 0.0011263700000000, 0.0008670600000000 ] - [ 0.0003693800000000, -0.0000070900000000, -0.0016497000000000 ] - [ 0.0000039100000000, -0.0001138500000000, -0.0016722300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0869421900000000 ] - [ 0.0000699500000000, 0.0002622200000000, -0.0016489700000000 ] - [ -0.0163788400000000, 0.0255649000000000, 0.0326785800000000 ] - [ -0.0053376500000000, 0.0042560500000000, 0.0053744300000000 ] - [ -0.0001607300000000, 0.0001289100000000, -0.0012699600000000 ] - [ 0.0000352200000000, 0.0000571600000000, -0.0015913400000000 ] - [ -0.0001908300000000, -0.0003163500000000, -0.0016497000000000 ] - [ -0.0002245000000000, -0.0003908100000000, -0.0009545300000000 ] - [ 0.0004507000000000, 0.0000009800000000, -0.0009545300000000 ] - [ -0.0000496200000000, 0.0000788700000000, -0.0015646800000000 ] - [ -0.0028702200000000, 0.0021102000000000, 0.0046328500000000 ] - [ -0.0000312700000000, -0.0002036600000000, -0.0012699600000000 ] - [ 0.0025851200000000, -0.0013181500000000, 0.0042684400000000 ] - [ 0.0003762800000000, 0.0001248300000000, -0.0019772700000000 ] - [ -0.0061285200000000, 0.0001799500000000, -0.0072051000000000 ] - [ -0.0000800300000000, -0.0003882800000000, -0.0019772700000000 ] - [ 0.0001890400000000, 0.0001062700000000, -0.0018144000000000 ] - [ -0.0001188800000000, -0.0001753700000000, -0.0017125400000000 ] - [ 0.0010492700000000, -0.0004353600000000, 0.0008670600000000 ] - [ 0.0001998000000000, -0.0001181800000000, -0.0016742600000000 ] - [ -0.0002962500000000, 0.0002634500000000, -0.0019772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013174400000000 ] - [ 0.0029084200000000, -0.0053974300000000, -0.0072051000000000 ] - [ -0.0009016700000000, -0.0006910100000000, 0.0008670600000000 ] - [ -0.0000332300000000, -0.0000052100000000, -0.0015445000000000 ] - [ -0.0024341100000000, -0.0015797000000000, 0.0042684400000000 ] - [ 0.0001726700000000, 0.0001970100000000, -0.0016252400000000 ] - [ -0.0000348700000000, -0.0010512700000000, 0.0004704100000000 ] - [ -0.0027346900000000, 0.0002477500000000, 0.0012272800000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005637700000000, -0.0010816500000000, -0.0033097100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062394700000000 ] - [ -0.0006548500000000, 0.0010290600000000, -0.0033097100000000 ] - [ 0.0012186200000000, 0.0000525900000000, -0.0033097100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021839000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0174995600000000 ] - [ -0.0115044200000000, -0.0179445900000000, -0.0146719900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009600400000000 ] - [ -0.0101994500000000, 0.0054103700000000, 0.0002703800000000 ] - [ -0.0000431800000000, 0.0000927700000000, -0.0018447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2206300200000000 ] - [ 0.0000990200000000, -0.0000490200000000, -0.0020960400000000 ] - [ -0.0000919600000000, -0.0000612400000000, -0.0020960400000000 ] - [ -0.0015760400000000, 0.0018803100000000, 0.0013905500000000 ] - [ 0.0000322900000000, -0.0000702200000000, -0.0025983500000000 ] - [ -0.0008403800000000, -0.0023050500000000, 0.0013905500000000 ] - [ -0.0075650900000000, 0.0012881200000000, 0.0111282400000000 ] - [ 0.0001983700000000, 0.0002534900000000, -0.0023507600000000 ] - [ 0.0097144300000000, -0.0062961000000000, -0.0004046200000000 ] - [ 0.0000273800000000, 0.0003064800000000, -0.0022535600000000 ] - [ 0.0024164200000000, 0.0004247400000000, 0.0013905500000000 ] - [ -0.0009315300000000, -0.0008696100000000, 0.0170162300000000 ] - [ -0.0001474800000000, -0.0005107900000000, -0.0020491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035559000000000 ] - [ 0.0000249900000000, -0.0000116600000000, -0.0025277300000000 ] - [ 0.0012188700000000, -0.0003719200000000, 0.0170162300000000 ] - [ 0.0004142100000000, -0.0115381700000000, 0.0002703800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026722600000000 ] - [ 0.0048980900000000, 0.0059075000000000, 0.0111282400000000 ] - [ 0.0000027100000000, -0.0000732000000000, 0.0027224800000000 ] - [ 0.0212926800000000, -0.0009908300000000, -0.0146719900000000 ] - [ 0.0005161000000000, 0.0001276800000000, -0.0020491300000000 ] - [ 0.0001019300000000, -0.0000089900000000, -0.0018447700000000 ] - [ -0.0003686200000000, 0.0003831100000000, -0.0020491300000000 ] - [ 0.0097852400000000, 0.0061278000000000, 0.0002703800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025891600000000 ] - [ -0.0000084100000000, 0.0001646400000000, -0.0021620800000000 ] - [ 0.0006093500000000, -0.0001685400000000, -0.0014830600000000 ] - [ 0.0001467900000000, -0.0000750400000000, -0.0021620800000000 ] - [ 0.0002517300000000, -0.0001769500000000, -0.0022535600000000 ] - [ 0.0026670000000000, -0.0071956200000000, 0.0111282400000000 ] - [ -0.0000070500000000, 0.0001102600000000, -0.0020960400000000 ] - [ -0.0000226000000000, -0.0000158100000000, -0.0025277300000000 ] - [ -0.0097882600000000, 0.0189354100000000, -0.0146719900000000 ] - [ -0.0003187200000000, 0.0000450500000000, -0.0023507600000000 ] - [ -0.0000647400000000, 0.0000342500000000, 0.0027224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019813900000000 ] - [ -0.0031386600000000, 0.0006567000000000, -0.0017847200000000 ] - [ 0.0010006100000000, -0.0030465100000000, -0.0017847200000000 ] - [ 0.0001068700000000, -0.0000240600000000, -0.0026819000000000 ] - [ -0.0002873400000000, 0.0012415300000000, 0.0170162300000000 ] - [ -0.0001587100000000, 0.0006119800000000, -0.0014830600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080342800000000 ] - [ 0.0000620400000000, 0.0000389400000000, 0.0027224800000000 ] - [ 0.0000446700000000, 0.0000630700000000, -0.0025983500000000 ] - [ -0.0000326000000000, 0.0001045800000000, -0.0026819000000000 ] - [ -0.0001383800000000, -0.0000896000000000, -0.0021620800000000 ] - [ 0.0005953700000000, 0.0115610000000000, -0.0004046200000000 ] - [ -0.0000769600000000, 0.0000071500000000, -0.0025983500000000 ] - [ -0.0000023900000000, 0.0000274800000000, -0.0025277300000000 ] - [ -0.0000742700000000, -0.0000805200000000, -0.0026819000000000 ] - [ 0.0021380500000000, 0.0023898100000000, -0.0017847200000000 ] - [ -0.0002791100000000, -0.0001295300000000, -0.0022535600000000 ] - [ 0.0001203500000000, -0.0002985400000000, -0.0023507600000000 ] - [ -0.0004506400000000, -0.0004434400000000, -0.0014830600000000 ] - [ -0.0103098000000000, -0.0052648900000000, -0.0004046200000000 ] - [ -0.0000587500000000, -0.0000837800000000, -0.0018447700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004635500000000 ] - [ -0.0001151200000000, 0.0000557500000000, 0.0012547400000000 ] - [ 0.0015985200000000, 0.0032297700000000, -0.0061562700000000 ] - [ -0.0030542500000000, -0.0053807400000000, 0.0073287300000000 ] - [ -0.0000554900000000, 0.0000654200000000, 0.0014443100000000 ] - [ 0.0001872900000000, 0.0002511500000000, 0.0011795500000000 ] - [ 0.0002513300000000, -0.0031225100000000, -0.0041938500000000 ] - [ -0.0020218100000000, -0.0001363900000000, 0.0005137500000000 ] - [ 0.0000786000000000, -0.0001215100000000, 0.0015200100000000 ] - [ 0.0008479500000000, -0.0000645100000000, 0.0024102200000000 ] - [ -0.0003681100000000, 0.0007666000000000, 0.0024102200000000 ] - [ 0.0000303200000000, 0.0002425200000000, 0.0012521300000000 ] - [ -0.0008548300000000, -0.0007213600000000, -0.0003449200000000 ] - [ 0.0001058400000000, 0.0000718200000000, 0.0012547400000000 ] - [ -0.0060443100000000, 0.0001073600000000, 0.0046221900000000 ] - [ -0.0001041500000000, -0.0003578200000000, -0.0037044900000000 ] - [ 0.0029291800000000, -0.0052882100000000, 0.0046221900000000 ] - [ 0.0011290300000000, -0.0016827500000000, 0.0005137500000000 ] - [ 0.0000844000000000, 0.0000153400000000, 0.0014443100000000 ] - [ 0.0012820500000000, -0.0006481800000000, -0.0003943000000000 ] - [ -0.0035963200000000, -0.0002305300000000, -0.0061562700000000 ] - [ 0.0002000600000000, 0.0001669800000000, 0.0012758500000000 ] - [ -0.0000683100000000, -0.0000422300000000, 0.0021861500000000 ] - [ -0.0086584800000000, 0.0036166200000000, -0.0058776400000000 ] - [ -0.0002578000000000, 0.0002691000000000, -0.0037044900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036956600000000 ] - [ 0.0074613300000000, 0.0056901500000000, -0.0058776400000000 ] - [ -0.0003262100000000, 0.0003288200000000, 0.0016693400000000 ] - [ 0.0000725500000000, 0.0001326000000000, 0.0016456600000000 ] - [ -0.0001445300000000, -0.0000073200000000, 0.0015200100000000 ] - [ -0.0004798400000000, -0.0007020900000000, 0.0024102200000000 ] - [ 0.0004215400000000, 0.0036369000000000, -0.0047074300000000 ] - [ 0.0002569600000000, -0.0001713400000000, 0.0015400700000000 ] - [ 0.0000798100000000, -0.0001591300000000, 0.0014736600000000 ] - [ 0.0001238600000000, -0.0002877700000000, 0.0011795500000000 ] - [ 0.0000979000000000, 0.0001486800000000, 0.0014736600000000 ] - [ -0.0000460500000000, -0.0001590500000000, 0.0016814900000000 ] - [ 0.0013183200000000, 0.0067778200000000, -0.0051360500000000 ] - [ 0.0137824200000000, 0.0266519800000000, -0.0328368900000000 ] - [ -0.0002446400000000, 0.0000897700000000, 0.0012758500000000 ] - [ -0.0013171400000000, -0.0022341200000000, -0.0011717800000000 ] - [ -0.0003111500000000, 0.0000366200000000, 0.0011795500000000 ] - [ 0.0000707200000000, -0.0000380400000000, 0.0021861500000000 ] - [ 0.0010521300000000, -0.0003796200000000, -0.0003449200000000 ] - [ 0.0000199100000000, 0.0003082100000000, 0.0015400700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020174800000000 ] - [ 0.0006400600000000, 0.0000171400000000, 0.0002688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041801600000000 ] - [ -0.0001770800000000, 0.0003086500000000, 0.0012694200000000 ] - [ -0.0003051800000000, -0.0005628700000000, 0.0002688500000000 ] - [ -0.0000796900000000, 0.0014343800000000, -0.0003943000000000 ] - [ 0.0031151300000000, 0.0051808500000000, 0.0046221900000000 ] - [ -0.0012023700000000, -0.0007862000000000, -0.0003943000000000 ] - [ -0.0065289200000000, -0.0022472100000000, -0.0051360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013332100000000 ] - [ 0.0011971500000000, -0.0093067700000000, -0.0058776400000000 ] - [ -0.0002768700000000, -0.0001368700000000, 0.0015400700000000 ] - [ -0.0033604100000000, -0.0014533800000000, -0.0047074300000000 ] - [ -0.0003348700000000, 0.0005457400000000, 0.0002688500000000 ] - [ -0.0001686200000000, 0.0002780700000000, 0.0012802800000000 ] - [ -0.0000024200000000, 0.0000802700000000, 0.0021861500000000 ] - [ 0.0008927900000000, 0.0018191400000000, 0.0005137500000000 ] - [ -0.0299725000000000, -0.0013900600000000, -0.0328368900000000 ] - [ 0.0001948600000000, -0.0001475200000000, 0.0012521300000000 ] - [ -0.0012762400000000, 0.0022577400000000, -0.0011717800000000 ] - [ -0.0001216600000000, -0.0004469200000000, 0.0016693400000000 ] - [ 0.0019978000000000, -0.0029992400000000, -0.0061562700000000 ] - [ 0.0000676800000000, -0.0000738300000000, 0.0012545100000000 ] - [ -0.0001511200000000, -0.0000034700000000, 0.0016456600000000 ] - [ 0.0003619500000000, 0.0000887100000000, -0.0037044900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019574600000000 ] - [ 0.0001607600000000, 0.0000396400000000, 0.0016814900000000 ] - [ -0.0000694600000000, -0.0010065900000000, -0.0004301500000000 ] - [ 0.0003251200000000, 0.0000069900000000, 0.0012802800000000 ] - [ 0.0000092800000000, -0.0001275700000000, 0.0012547400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0945730200000000 ] - [ 0.0000445800000000, -0.0002567500000000, 0.0012758500000000 ] - [ 0.0161900800000000, -0.0252619100000000, -0.0328368900000000 ] - [ 0.0052106100000000, -0.0045306100000000, -0.0051360500000000 ] - [ 0.0000301000000000, 0.0000955300000000, 0.0012545100000000 ] - [ 0.0000659300000000, 0.0001288300000000, 0.0015200100000000 ] - [ -0.0001565100000000, -0.0002850600000000, 0.0012802800000000 ] - [ -0.0001787500000000, -0.0003076800000000, 0.0012694200000000 ] - [ 0.0003558400000000, -0.0000009600000000, 0.0012694200000000 ] - [ 0.0000785600000000, -0.0001291400000000, 0.0016456600000000 ] - [ 0.0029388700000000, -0.0021835100000000, -0.0047074300000000 ] - [ -0.0000977800000000, -0.0000217000000000, 0.0012545100000000 ] - [ -0.0028298400000000, 0.0013436000000000, -0.0041938500000000 ] - [ -0.0003585100000000, 0.0001167400000000, 0.0015562500000000 ] - [ 0.0061869900000000, 0.0000453100000000, 0.0073287300000000 ] - [ 0.0002803500000000, 0.0002521100000000, 0.0015562500000000 ] - [ -0.0001147100000000, 0.0001194100000000, 0.0016814900000000 ] - [ -0.0000289200000000, -0.0000807600000000, 0.0014443100000000 ] - [ -0.0008370000000000, 0.0005634400000000, -0.0004301500000000 ] - [ 0.0004478800000000, 0.0001181000000000, 0.0016693400000000 ] - [ 0.0000781600000000, -0.0003688500000000, 0.0015562500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013241900000000 ] - [ -0.0031327400000000, 0.0053354300000000, 0.0073287300000000 ] - [ 0.0009064600000000, 0.0004431400000000, -0.0004301500000000 ] - [ -0.0001777100000000, 0.0000104400000000, 0.0014736600000000 ] - [ 0.0025785100000000, 0.0017789100000000, -0.0041938500000000 ] - [ -0.0002251800000000, -0.0000950000000000, 0.0012521300000000 ] - [ -0.0001973000000000, 0.0011009800000000, -0.0003449200000000 ] - [ 0.0025933800000000, -0.0000236200000000, -0.0011717800000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004400800000000, -0.0005001400000000, 0.0004453400000000 ] - [ -0.0004582300000000, 0.0004744000000000, 0.0004804300000000 ] - [ -0.0000099800000000, -0.0000136700000000, 0.0001974600000000 ] - [ -0.0005145300000000, 0.0004628400000000, 0.0004211300000000 ] - [ 0.0004310000000000, 0.0000355400000000, -0.0008818500000000 ] - [ 0.0004179600000000, -0.0000496400000000, -0.0007747800000000 ] - [ 0.0000475400000000, -0.0168477100000000, 0.0038511800000000 ] - [ 0.0000552300000000, 0.0000002100000000, 0.0006616400000000 ] - [ -0.0000906800000000, 0.0002136600000000, -0.0001213600000000 ] - [ -0.0000545500000000, -0.0000740400000000, -0.0006669600000000 ] - [ 0.0000021700000000, 0.0000936400000000, 0.0000670300000000 ] - [ -0.0027499600000000, -0.0008685500000000, 0.0012012700000000 ] - [ 0.0002648900000000, -0.0017666600000000, -0.0010752700000000 ] - [ 0.0000145100000000, 0.0000031400000000, 0.0003139400000000 ] - [ 0.0065453100000000, -0.0004903100000000, -0.0251737800000000 ] - [ -0.0016400900000000, -0.0011339400000000, 0.0005816700000000 ] - [ -0.0000746800000000, 0.0002920900000000, -0.0000811100000000 ] - [ -0.1854682800000000, 0.0210585500000000, 0.0256923700000000 ] - [ -0.0001495200000000, -0.0002060200000000, -0.0000920100000000 ] - [ 0.0000493400000000, 0.0000683800000000, 0.0003185700000000 ] - [ 0.0055131200000000, -0.0024585600000000, -0.0010522700000000 ] - [ -0.0000543800000000, -0.0002349000000000, -0.0000951400000000 ] - [ 0.0027304900000000, 0.0047209500000000, 0.0009638800000000 ] - [ 0.0002011500000000, -0.0000321200000000, -0.0000764800000000 ] - [ 0.0000494800000000, 0.0000605500000000, 0.0003047100000000 ] - [ 0.0049764900000000, 0.0022725700000000, -0.0015740200000000 ] - [ 0.0032641100000000, 0.0000973500000000, 0.0033345900000000 ] - [ 0.0055346100000000, 0.0143633700000000, 0.0007014500000000 ] - [ -0.0000546400000000, -0.0000002900000000, 0.0003082000000000 ] - [ -0.0000882000000000, -0.0000406000000000, 0.0000654900000000 ] - [ 0.0274611000000000, -0.0000281500000000, -0.0006554300000000 ] - [ 0.0000273700000000, -0.0000791700000000, 0.0003187200000000 ] - [ 0.0000767100000000, -0.0000791500000000, 0.0000393700000000 ] - [ -0.0001551200000000, -0.0002412800000000, -0.0001540900000000 ] - [ 0.0028703000000000, 0.0037552800000000, 0.0009110300000000 ] - [ 0.0009769800000000, -0.0014044900000000, 0.0006046300000000 ] - [ -0.0178879000000000, -0.0135753300000000, 0.0118993200000000 ] - [ 0.0001343400000000, -0.0001212600000000, -0.0000046000000000 ] - [ 0.0036610800000000, 0.0139316200000000, -0.0013099300000000 ] - [ 0.0051040900000000, -0.0029124200000000, -0.0015028900000000 ] - [ -0.0001305700000000, -0.0000337800000000, -0.0001292000000000 ] - [ 0.0025622100000000, -0.0035106700000000, 0.0007672600000000 ] - [ -0.0194780000000000, 0.0153907000000000, 0.0153225800000000 ] - [ -0.0000802300000000, 0.0000071900000000, 0.0003174100000000 ] - [ -0.0012193700000000, 0.0015624400000000, 0.0005354300000000 ] - [ 0.0285165600000000, 0.0004163900000000, -0.0014825900000000 ] - [ 0.0003300500000000, 0.0000397500000000, -0.0001306200000000 ] - [ 0.0056742700000000, 0.0022319000000000, -0.0005972300000000 ] - [ -0.0001938700000000, -0.0000130500000000, -0.0000429000000000 ] - [ 0.0002224600000000, 0.0017677000000000, -0.0018200000000000 ] - [ 0.0000580600000000, 0.0000446300000000, 0.0006816800000000 ] - [ -0.0001416800000000, 0.0000365300000000, 0.0000644300000000 ] - [ -0.0000771400000000, -0.0013673900000000, -0.0019072600000000 ] - [ 0.0000071600000000, -0.0000608200000000, 0.0003042400000000 ] - [ -0.0000221900000000, -0.0000279800000000, -0.0002956700000000 ] - [ -0.0000056100000000, 0.0000153200000000, 0.0003013400000000 ] - [ 0.0000492000000000, 0.0000973700000000, 0.0000416600000000 ] - [ 0.0029500200000000, 0.0005591100000000, -0.0005010500000000 ] - [ 0.0028377300000000, -0.0006072000000000, 0.0026335600000000 ] - [ -0.0185738000000000, 0.0136457100000000, 0.0125597900000000 ] - [ 0.0003079500000000, 0.0000564600000000, -0.0000252300000000 ] - [ 0.0028147400000000, -0.0004823000000000, -0.0006905800000000 ] - [ 0.0037115800000000, -0.0146500300000000, -0.0007370700000000 ] - [ -0.0000195200000000, 0.0018922600000000, -0.0019898400000000 ] - [ 0.0000076700000000, -0.0001859200000000, 0.0000602700000000 ] - [ -0.0018434300000000, 0.0014539000000000, 0.0007729200000000 ] - [ 0.0075572900000000, -0.0009786800000000, -0.0259399000000000 ] - [ 0.0000099900000000, -0.0001015600000000, -0.0000704300000000 ] - [ -0.0002156300000000, 0.0002426800000000, -0.0000235800000000 ] - [ -0.0000775600000000, 0.0002741300000000, 0.0002442700000000 ] - [ -0.0000505700000000, 0.0000668500000000, -0.0001039200000000 ] - [ -0.0004125700000000, -0.0015284700000000, -0.0006632400000000 ] - [ 0.0000447200000000, -0.0000346300000000, -0.0004425600000000 ] - [ 0.0000787700000000, -0.0000783500000000, 0.0001832800000000 ] - [ 0.0264895000000000, -0.0082665400000000, -0.0059451000000000 ] - [ -0.0012624600000000, -0.0007146700000000, -0.0005547100000000 ] - [ 0.0000482400000000, -0.0000957100000000, 0.0000350100000000 ] - [ 0.0000441100000000, 0.0000117800000000, 0.0002578400000000 ] - [ -0.0063902100000000, 0.0026773300000000, -0.0005516300000000 ] - [ -0.0003931300000000, 0.0003136900000000, -0.0008050900000000 ] - [ -0.0002237500000000, -0.0003758200000000, 0.0004618200000000 ] - [ 0.0358522000000000, -0.0021560700000000, 0.0098500200000000 ] - [ 0.0001227000000000, -0.0000913100000000, 0.0000721900000000 ] - [ -0.0006295800000000, -0.0009697000000000, 0.0024384300000000 ] - [ -0.0001844900000000, 0.0001186000000000, 0.0001875300000000 ] - [ -0.0000296500000000, 0.0000444400000000, 0.0001899700000000 ] - [ -0.0000702500000000, -0.0001235100000000, 0.0000842600000000 ] - [ -0.0000446900000000, -0.0000345400000000, 0.0002850700000000 ] - [ -0.0032610500000000, -0.0022853900000000, 0.0004190000000000 ] - [ 0.0004560100000000, 0.0000134800000000, 0.0001747600000000 ] - [ 0.0000035500000000, 0.0000533900000000, -0.0004027800000000 ] - [ -0.0077143900000000, 0.0034712800000000, -0.0006670600000000 ] - [ 0.0017530500000000, -0.0048764800000000, -0.0029365700000000 ] - [ -0.0000082700000000, -0.0000494900000000, 0.0002001600000000 ] - [ 0.0000716900000000, 0.0000010800000000, 0.0001778900000000 ] - [ 0.0000086100000000, -0.0000172800000000, -0.0001630200000000 ] - [ -0.0000424800000000, 0.0000509800000000, 0.0001845000000000 ] - [ 0.0002509000000000, 0.0003292700000000, -0.0000290600000000 ] - [ -0.0000613400000000, 0.0017533300000000, 0.0002892100000000 ] - [ 0.0254338800000000, -0.0015721800000000, -0.0015083400000000 ] - [ 0.0003002200000000, -0.0000243800000000, 0.0004992500000000 ] - [ 0.0000107500000000, 0.0000259200000000, -0.0000390700000000 ] - [ -0.0015795000000000, -0.0029349500000000, -0.0054257700000000 ] - [ 0.0000017000000000, -0.0035545400000000, 0.0000763500000000 ] - [ 0.0077205800000000, 0.0000760600000000, 0.0008006600000000 ] - [ 0.0215535400000000, 0.0019177800000000, 0.0007029200000000 ] - [ -0.0015688200000000, -0.0009616900000000, 0.0031565400000000 ] - [ 0.0001346800000000, -0.0000092500000000, 0.0001395800000000 ] - [ 0.0000296500000000, 0.0000895100000000, 0.0000304200000000 ] - [ 0.0235199600000000, 0.0050820200000000, -0.0069865900000000 ] - [ 0.0000934800000000, -0.0000068100000000, 0.0000092300000000 ] - [ -0.0009904900000000, 0.0004777800000000, -0.0001955500000000 ] - [ 0.0022001200000000, 0.0053368600000000, -0.0019544000000000 ] - [ 0.0001077400000000, 0.0000438900000000, -0.0000367300000000 ] - [ -0.0004097200000000, -0.0017298400000000, -0.0005810900000000 ] - [ -0.0077872900000000, 0.0002380400000000, 0.0050827200000000 ] - [ -0.0001467700000000, -0.0002837600000000, -0.0002489800000000 ] - [ -0.0004719000000000, -0.0000164700000000, -0.0009126900000000 ] - [ -0.0003349000000000, 0.0012333300000000, 0.0001116800000000 ] - [ -0.0001909600000000, 0.0004341900000000, -0.0001381200000000 ] - [ -0.0002225200000000, 0.0003874800000000, 0.0001957900000000 ] - [ 0.0001363100000000, 0.0000051000000000, 0.0000809900000000 ] - [ -0.0001594400000000, -0.0002744400000000, 0.0003247400000000 ] - [ -0.0000529000000000, 0.0001303100000000, 0.0001424800000000 ] - [ 0.0000529700000000, -0.0003295200000000, 0.0004801700000000 ] - [ 0.0000487700000000, 0.0000113700000000, 0.0002003700000000 ] - [ 0.0021115600000000, 0.0013154100000000, 0.0016389800000000 ] - [ -0.0000401800000000, 0.0000137800000000, -0.0000279400000000 ] - [ 0.0004691000000000, 0.0000299100000000, -0.0001217300000000 ] - [ -0.0004046400000000, 0.0017554600000000, -0.0007000000000000 ] - [ -0.0075461900000000, 0.0003533500000000, 0.0066461000000000 ] - [ -0.0000215000000000, -0.0000008600000000, 0.0002348600000000 ] - [ -0.0000851600000000, -0.0000030900000000, 0.0000223600000000 ] - [ 0.0003617100000000, 0.0030400200000000, -0.0004280600000000 ] - [ -0.0001070500000000, -0.0001111100000000, 0.0000108700000000 ] - [ -0.0002150800000000, -0.0003894300000000, 0.0000670800000000 ] - [ -0.0000543800000000, -0.0000220400000000, -0.0004418700000000 ] - [ -0.0009991800000000, -0.0007061500000000, -0.0000021400000000 ] - [ -0.0019422400000000, 0.0017718600000000, 0.0006716300000000 ] - [ -0.0000291200000000, -0.0000412900000000, 0.0001850100000000 ] - [ 0.0019112300000000, -0.0065662600000000, -0.0026069300000000 ] - [ -0.0008069300000000, 0.0010504000000000, 0.0025504700000000 ] - [ -0.0001589600000000, -0.0000300000000000, 0.0002272600000000 ] - [ 0.0022756200000000, 0.0017668800000000, 0.0015583800000000 ] - [ 0.0022077200000000, -0.0017155100000000, 0.0016803100000000 ] - [ -0.0000229500000000, -0.0000010200000000, -0.0001390400000000 ] - [ -0.0029971000000000, 0.0027373000000000, 0.0001023400000000 ] - [ 0.0000332100000000, -0.0000902400000000, 0.0000313600000000 ] - [ -0.0000915600000000, -0.0001337200000000, 0.0001307500000000 ] - [ 0.0085553100000000, -0.0009871900000000, 0.0010025400000000 ] - [ -0.0062192100000000, -0.0030333100000000, -0.0005880400000000 ] - [ -0.0009291700000000, 0.0008924300000000, 0.0022205500000000 ] - [ -0.0004868600000000, 0.0009065300000000, -0.0018372700000000 ] - [ 0.0014703900000000, -0.0005448300000000, 0.0010294200000000 ] - [ 0.0355783400000000, -0.0193044500000000, -0.0185652300000000 ] - [ 0.0000381700000000, -0.0000210800000000, -0.0000265500000000 ] - [ -0.0013063100000000, 0.0004718200000000, 0.0000934700000000 ] - [ -0.0001180200000000, -0.0000136300000000, 0.0000502800000000 ] - [ -0.0030132300000000, 0.0001344000000000, 0.0007987200000000 ] - [ -0.0001045200000000, 0.0001224000000000, 0.0000217000000000 ] - [ -0.0014522500000000, 0.0030010200000000, -0.0050167800000000 ] - [ -0.0028464400000000, 0.0002721200000000, 0.0006527100000000 ] - [ -0.0069310800000000, -0.0037342500000000, -0.0008849700000000 ] - [ 0.0001115600000000, 0.0000474600000000, 0.0003532100000000 ] - [ 0.0000734300000000, 0.0002869900000000, -0.0001896300000000 ] - [ -0.0013942600000000, -0.0030027100000000, -0.0047342400000000 ] - [ 0.0000538500000000, 0.0003181000000000, 0.0004410300000000 ] - [ -0.0001132900000000, -0.0000326600000000, 0.0001672400000000 ] - [ 0.0001189000000000, -0.0001310500000000, 0.0002063700000000 ] - [ -0.0029752000000000, -0.0025377900000000, 0.0008244000000000 ] - [ 0.0000776600000000, 0.0000850100000000, 0.0000491600000000 ] - [ 0.0001777100000000, -0.0047413900000000, -0.0003168600000000 ] - [ -0.0001533400000000, -0.0000512200000000, 0.0000917000000000 ] - [ 0.0000087400000000, 0.0001137300000000, 0.0000191200000000 ]- atom: 18 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004997100000000, 0.0004000600000000, -0.0004454700000000 ] - [ 0.0004573400000000, -0.0004743000000000, -0.0004814600000000 ] - [ 0.0000100000000000, 0.0000137900000000, 0.0002059600000000 ] - [ 0.0004002500000000, -0.0004627900000000, -0.0004213400000000 ] - [ -0.0003735400000000, 0.0000673600000000, 0.0008788000000000 ] - [ -0.0004164200000000, 0.0000497200000000, 0.0007753600000000 ] - [ -0.0000918400000000, 0.0167917600000000, -0.0042420500000000 ] - [ -0.0000618300000000, -0.0000021500000000, -0.0003260200000000 ] - [ -0.0002301400000000, 0.0002017400000000, -0.0000770800000000 ] - [ 0.0000527900000000, 0.0000708800000000, -0.0001776800000000 ] - [ 0.0001459600000000, 0.0001025700000000, 0.0000136900000000 ] - [ 0.0027274300000000, 0.0009123400000000, -0.0007784900000000 ] - [ -0.0002746400000000, 0.0017667700000000, 0.0019267300000000 ] - [ -0.0000125900000000, 0.0000019500000000, 0.0003110900000000 ] - [ -0.0068582000000000, 0.0004679100000000, 0.0249231700000000 ] - [ 0.0017449500000000, 0.0013547200000000, -0.0006690700000000 ] - [ -0.0001268900000000, 0.0001931600000000, -0.0001168100000000 ] - [ 0.1851750200000000, -0.0210446400000000, -0.0269842800000000 ] - [ -0.0001704600000000, -0.0002117000000000, -0.0001049100000000 ] - [ 0.0000291800000000, 0.0000676200000000, 0.0003331200000000 ] - [ -0.0049950800000000, 0.0025514800000000, 0.0012747600000000 ] - [ -0.0002241300000000, -0.0002471000000000, -0.0000038100000000 ] - [ -0.0029310000000000, -0.0042281200000000, -0.0007590200000000 ] - [ 0.0003189600000000, -0.0000380900000000, -0.0001220700000000 ] - [ 0.0000176700000000, 0.0000557300000000, 0.0003210600000000 ] - [ -0.0052514600000000, -0.0027249800000000, 0.0016464500000000 ] - [ -0.0032633800000000, -0.0000979900000000, -0.0036686300000000 ] - [ -0.0056733300000000, -0.0143998200000000, -0.0013154400000000 ] - [ -0.0000804800000000, 0.0000010100000000, 0.0003176600000000 ] - [ -0.0001499600000000, 0.0000630900000000, 0.0000141100000000 ] - [ -0.0276597000000000, 0.0000366600000000, -0.0000799200000000 ] - [ 0.0000472400000000, -0.0000614000000000, 0.0003345300000000 ] - [ 0.0000617400000000, -0.0001159200000000, 0.0000403100000000 ] - [ -0.0000463500000000, -0.0002446700000000, -0.0000428100000000 ] - [ -0.0023136400000000, -0.0037677400000000, -0.0008171400000000 ] - [ -0.0009337200000000, 0.0014086600000000, -0.0001758300000000 ] - [ 0.0177062900000000, 0.0140637900000000, -0.0117898800000000 ] - [ -0.0000324400000000, -0.0001070900000000, 0.0000841000000000 ] - [ -0.0036987800000000, -0.0139075400000000, 0.0006476900000000 ] - [ -0.0049973800000000, 0.0026567200000000, 0.0013960400000000 ] - [ 0.0001136400000000, 0.0000764600000000, -0.0002993600000000 ] - [ -0.0028017400000000, 0.0035397600000000, -0.0008549700000000 ] - [ 0.0198848500000000, -0.0154602700000000, -0.0151287800000000 ] - [ -0.0000787000000000, -0.0000128500000000, 0.0003358300000000 ] - [ 0.0013640800000000, -0.0017537500000000, -0.0006225200000000 ] - [ -0.0282330800000000, -0.0002638200000000, 0.0009495200000000 ] - [ 0.0001909200000000, 0.0000284100000000, -0.0000672000000000 ] - [ -0.0059972500000000, -0.0018443400000000, 0.0008212100000000 ] - [ -0.0000548800000000, -0.0000126400000000, 0.0001225600000000 ] - [ -0.0002268700000000, -0.0017778500000000, 0.0014923900000000 ] - [ 0.0000366400000000, 0.0001197800000000, -0.0001141900000000 ] - [ -0.0000496600000000, -0.0000362500000000, 0.0005015900000000 ] - [ 0.0001780300000000, 0.0012002900000000, 0.0013330900000000 ] - [ 0.0000610000000000, -0.0000558700000000, 0.0003216600000000 ] - [ 0.0000019900000000, -0.0000067200000000, -0.0001294600000000 ] - [ 0.0000090900000000, -0.0000111000000000, 0.0003234900000000 ] - [ 0.0000466900000000, 0.0001287200000000, 0.0000391800000000 ] - [ -0.0028857700000000, -0.0004279700000000, -0.0001230200000000 ] - [ -0.0027487300000000, 0.0007713400000000, -0.0032026100000000 ] - [ 0.0188368500000000, -0.0134596300000000, -0.0126329700000000 ] - [ 0.0002505700000000, -0.0000574100000000, -0.0000753200000000 ] - [ -0.0029459700000000, 0.0004613200000000, 0.0000683500000000 ] - [ -0.0035898700000000, 0.0145366900000000, 0.0001236900000000 ] - [ -0.0001674000000000, -0.0018892700000000, 0.0014165200000000 ] - [ 0.0000884700000000, 0.0000201800000000, 0.0005054300000000 ] - [ 0.0015147000000000, -0.0018740000000000, -0.0005711200000000 ] - [ -0.0077022400000000, 0.0004869500000000, 0.0263079600000000 ] - [ 0.0000349500000000, 0.0001083900000000, -0.0003570600000000 ] - [ -0.0000641000000000, 0.0002405600000000, -0.0000769100000000 ] - [ 0.0000569200000000, -0.0003058800000000, 0.0001810700000000 ] - [ 0.0000522100000000, -0.0000737500000000, 0.0004412600000000 ] - [ 0.0001987700000000, 0.0016427700000000, 0.0002529800000000 ] - [ 0.0000174100000000, -0.0000748300000000, -0.0004266700000000 ] - [ 0.0000794700000000, -0.0000967500000000, -0.0000530800000000 ] - [ -0.0267719400000000, 0.0088692600000000, 0.0059779700000000 ] - [ 0.0012438300000000, 0.0006788000000000, 0.0000130300000000 ] - [ 0.0000525600000000, -0.0000923300000000, 0.0000324300000000 ] - [ -0.0000612000000000, 0.0000205600000000, 0.0002820000000000 ] - [ 0.0064950900000000, -0.0028631900000000, 0.0004957400000000 ] - [ 0.0006113900000000, 0.0000619900000000, 0.0008029400000000 ] - [ -0.0002234800000000, 0.0003732200000000, -0.0004605800000000 ] - [ -0.0330516800000000, 0.0023042200000000, -0.0084781400000000 ] - [ -0.0000486800000000, -0.0001353300000000, 0.0000561400000000 ] - [ 0.0008461000000000, 0.0010967500000000, -0.0028576100000000 ] - [ 0.0002038300000000, 0.0001215100000000, 0.0002308200000000 ] - [ -0.0000258800000000, 0.0000578300000000, 0.0001803200000000 ] - [ -0.0001447500000000, 0.0000164100000000, 0.0003325600000000 ] - [ 0.0000294900000000, 0.0000081100000000, 0.0002523900000000 ] - [ 0.0035411700000000, 0.0022899400000000, -0.0006883800000000 ] - [ 0.0002407800000000, -0.0000084700000000, 0.0001924000000000 ] - [ 0.0000580800000000, 0.0000531500000000, -0.0004659800000000 ] - [ 0.0076523400000000, -0.0033673100000000, 0.0002822200000000 ] - [ -0.0018919000000000, 0.0048896700000000, 0.0038075300000000 ] - [ -0.0000400700000000, -0.0000517600000000, 0.0001687600000000 ] - [ 0.0000437700000000, -0.0000043000000000, 0.0001941200000000 ] - [ -0.0000073300000000, 0.0000178700000000, -0.0001579300000000 ] - [ -0.0000179500000000, 0.0000473300000000, 0.0001875400000000 ] - [ -0.0005730800000000, 0.0002358800000000, 0.0000308000000000 ] - [ 0.0000935100000000, -0.0017083400000000, -0.0002027200000000 ] - [ -0.0276724900000000, 0.0016772000000000, 0.0001150000000000 ] - [ -0.0000798100000000, -0.0003638900000000, -0.0004976000000000 ] - [ 0.0000192400000000, 0.0000260400000000, -0.0000456500000000 ] - [ 0.0017384000000000, 0.0031199800000000, 0.0052965500000000 ] - [ 0.0000987400000000, 0.0033884600000000, -0.0001433200000000 ] - [ -0.0077153400000000, -0.0000482000000000, -0.0013368300000000 ] - [ -0.0212960300000000, -0.0015262800000000, -0.0009317300000000 ] - [ 0.0013214300000000, 0.0009224700000000, -0.0032810200000000 ] - [ 0.0001607800000000, 0.0000097800000000, 0.0001253200000000 ] - [ 0.0000694400000000, 0.0000939700000000, 0.0000388100000000 ] - [ -0.0238923300000000, -0.0057224200000000, 0.0070610600000000 ] - [ 0.0001657600000000, 0.0000058500000000, 0.0000044600000000 ] - [ 0.0010236200000000, -0.0004732800000000, -0.0003464600000000 ] - [ -0.0021515600000000, -0.0054661600000000, 0.0028238700000000 ] - [ 0.0000506100000000, 0.0001324500000000, 0.0001665100000000 ] - [ 0.0001777100000000, 0.0017766500000000, 0.0004491800000000 ] - [ 0.0078096600000000, -0.0002328800000000, -0.0048072700000000 ] - [ -0.0002572500000000, -0.0004165200000000, -0.0000700400000000 ] - [ 0.0004695800000000, 0.0000151800000000, 0.0009164000000000 ] - [ -0.0000756200000000, -0.0005388000000000, 0.0002060800000000 ] - [ -0.0002189200000000, 0.0002598400000000, -0.0001792500000000 ] - [ -0.0001214500000000, 0.0002184800000000, 0.0001714300000000 ] - [ 0.0000690900000000, -0.0001350000000000, 0.0003331700000000 ] - [ -0.0001874100000000, -0.0003262800000000, 0.0000390000000000 ] - [ -0.0000944100000000, 0.0001258600000000, 0.0001224400000000 ] - [ -0.0000525800000000, 0.0003282300000000, -0.0004798800000000 ] - [ 0.0000675900000000, -0.0000082600000000, 0.0001698800000000 ] - [ -0.0020308600000000, -0.0015327600000000, -0.0017591700000000 ] - [ -0.0000166300000000, -0.0000136600000000, -0.0000559400000000 ] - [ 0.0003368100000000, -0.0000382600000000, -0.0001953800000000 ] - [ 0.0000619200000000, -0.0011499000000000, 0.0003352600000000 ] - [ 0.0075765900000000, -0.0002509300000000, -0.0057264400000000 ] - [ 0.0000578000000000, 0.0000022200000000, 0.0003046700000000 ] - [ -0.0001284600000000, -0.0000036900000000, 0.0000450500000000 ] - [ -0.0004242200000000, -0.0031148100000000, 0.0000551700000000 ] - [ -0.0000243200000000, -0.0001166100000000, 0.0000028200000000 ] - [ -0.0001039400000000, -0.0001639200000000, -0.0000672100000000 ] - [ -0.0000715500000000, 0.0000212300000000, -0.0004275400000000 ] - [ 0.0012571800000000, 0.0007101500000000, -0.0000079500000000 ] - [ 0.0018847700000000, -0.0017592600000000, -0.0005855000000000 ] - [ -0.0000342500000000, -0.0000511000000000, 0.0001838400000000 ] - [ -0.0018968300000000, 0.0065424600000000, 0.0029266900000000 ] - [ 0.0009481900000000, -0.0012326100000000, -0.0026794900000000 ] - [ -0.0000561500000000, 0.0001433100000000, 0.0001864900000000 ] - [ -0.0015868100000000, -0.0017733400000000, -0.0019373400000000 ] - [ -0.0022023800000000, 0.0014821700000000, -0.0021045600000000 ] - [ 0.0000227800000000, 0.0000023700000000, -0.0001821300000000 ] - [ 0.0031024600000000, -0.0027394700000000, -0.0004802100000000 ] - [ 0.0000752100000000, -0.0000904200000000, 0.0000361000000000 ] - [ -0.0000559600000000, -0.0001217300000000, 0.0001337600000000 ] - [ -0.0087190500000000, 0.0012122200000000, -0.0010191700000000 ] - [ 0.0063188300000000, 0.0032244700000000, 0.0005310800000000 ] - [ 0.0006001900000000, -0.0014868100000000, -0.0025849200000000 ] - [ 0.0000865100000000, -0.0016062200000000, 0.0021567400000000 ] - [ -0.0006625300000000, 0.0005336100000000, -0.0007078800000000 ] - [ -0.0355757700000000, 0.0188660400000000, 0.0182527700000000 ] - [ -0.0000098700000000, -0.0000281000000000, -0.0000573000000000 ] - [ 0.0011766100000000, -0.0007027900000000, -0.0001020700000000 ] - [ -0.0000923700000000, 0.0000172000000000, 0.0000172800000000 ] - [ 0.0030232100000000, 0.0001065500000000, -0.0012017500000000 ] - [ 0.0001782000000000, 0.0001028800000000, 0.0001080500000000 ] - [ 0.0016582700000000, -0.0031251800000000, 0.0046050400000000 ] - [ 0.0029290600000000, -0.0000435400000000, -0.0007962200000000 ] - [ 0.0067904100000000, 0.0034754800000000, 0.0006077700000000 ] - [ 0.0000869000000000, 0.0000890400000000, 0.0000647800000000 ] - [ 0.0005780600000000, -0.0002833700000000, 0.0001883000000000 ] - [ 0.0011797700000000, 0.0028917100000000, 0.0043233200000000 ] - [ -0.0000538500000000, -0.0003197400000000, -0.0004403000000000 ] - [ -0.0001201500000000, -0.0000165500000000, -0.0000391800000000 ] - [ -0.0001045900000000, -0.0001085700000000, 0.0002101200000000 ] - [ 0.0027779300000000, 0.0025356000000000, -0.0008878900000000 ] - [ 0.0000315700000000, 0.0000922500000000, 0.0000201500000000 ] - [ -0.0002305700000000, 0.0048271300000000, -0.0000591500000000 ] - [ -0.0000773800000000, 0.0001009600000000, 0.0000387000000000 ] - [ -0.0001394000000000, 0.0001102200000000, -0.0000056600000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003921500000000, -0.0006792200000000, 0.0031171700000000 ] - [ 0.0003303300000000, 0.0004757800000000, 0.0026200200000000 ] - [ 0.0000049800000000, -0.0000086300000000, 0.0022015300000000 ] - [ 0.0003073200000000, 0.0006106000000000, 0.0031097300000000 ] - [ -0.0006824600000000, 0.0000391500000000, 0.0031097300000000 ] - [ -0.0005772100000000, -0.0000481800000000, 0.0026200200000000 ] - [ 0.0034621400000000, -0.0059966100000000, -0.0129844600000000 ] - [ 0.0000507600000000, -0.0000014500000000, 0.0025202100000000 ] - [ -0.0002931200000000, 0.0001011900000000, 0.0022568600000000 ] - [ -0.0000206700000000, 0.0000358000000000, 0.0019030100000000 ] - [ 0.0000199900000000, -0.0000554800000000, 0.0021757400000000 ] - [ 0.0023132900000000, -0.0040067400000000, 0.0059548400000000 ] - [ -0.0013858000000000, 0.0024002800000000, 0.0031656000000000 ] - [ 0.0000086900000000, 0.0000027200000000, 0.0026008800000000 ] - [ -0.0245278400000000, -0.0003236900000000, 0.0225780900000000 ] - [ 0.0007324000000000, -0.0022569000000000, -0.0024144200000000 ] - [ 0.0000589300000000, 0.0003044400000000, 0.0022568600000000 ] - [ 0.0262112800000000, -0.0453992700000000, -0.2560252200000000 ] - [ -0.0002799600000000, -0.0000870200000000, 0.0022610900000000 ] - [ 0.0000010300000000, -0.0000156200000000, 0.0025124900000000 ] - [ -0.0015040200000000, 0.0006695500000000, -0.0018650200000000 ] - [ -0.0002623000000000, -0.0004410500000000, 0.0020011700000000 ] - [ 0.0011440900000000, 0.0016326100000000, -0.0017008000000000 ] - [ 0.0002872100000000, -0.0001118100000000, 0.0023299000000000 ] - [ 0.0000415800000000, 0.0000684300000000, 0.0025740200000000 ] - [ -0.0017838700000000, -0.0006880900000000, -0.0020571800000000 ] - [ 0.0027352700000000, 0.0000677000000000, 0.0026683700000000 ] - [ -0.0044562300000000, -0.0082994700000000, -0.0149917600000000 ] - [ -0.0000800600000000, -0.0000018000000000, 0.0025740200000000 ] - [ 0.0001445500000000, 0.0000410900000000, 0.0021145100000000 ] - [ 0.0099339200000000, 0.0012707600000000, -0.0169680000000000 ] - [ -0.0000159100000000, 0.0000275600000000, 0.0025120800000000 ] - [ -0.0000261500000000, 0.0001484000000000, 0.0021130700000000 ] - [ -0.0000467700000000, -0.0003046300000000, 0.0023299000000000 ] - [ 0.0014878300000000, 0.0012008300000000, -0.0020571800000000 ] - [ 0.0007038800000000, -0.0007022600000000, 0.0009366100000000 ] - [ 0.0110074700000000, -0.0190654900000000, 0.0197466600000000 ] - [ -0.0001154400000000, 0.0000968500000000, 0.0021130700000000 ] - [ -0.0060674700000000, -0.0079676500000000, -0.0169680000000000 ] - [ -0.0017389700000000, 0.0006963100000000, -0.0025648200000000 ] - [ 0.0000493800000000, -0.0000855300000000, 0.0025211600000000 ] - [ 0.0015883300000000, -0.0017627300000000, -0.0024144200000000 ] - [ 0.0146456100000000, 0.0214770600000000, 0.0234002100000000 ] - [ 0.0000130100000000, -0.0000087000000000, 0.0025124900000000 ] - [ 0.0002664600000000, 0.0018541500000000, -0.0025648200000000 ] - [ 0.0094156700000000, -0.0002905300000000, -0.0149917600000000 ] - [ 0.0002153400000000, 0.0001989500000000, 0.0022610900000000 ] - [ -0.0019859300000000, -0.0001745100000000, -0.0017008000000000 ] - [ 0.0000380600000000, -0.0000450500000000, 0.0021757400000000 ] - [ -0.0014262600000000, -0.0023349700000000, 0.0026683700000000 ] - [ 0.0002005300000000, 0.0002118800000000, 0.0025218000000000 ] - [ -0.0002837600000000, -0.0000677200000000, 0.0025218000000000 ] - [ -0.0012429100000000, 0.0021527800000000, 0.0027029700000000 ] - [ 0.0000424400000000, -0.0000735100000000, 0.0026288600000000 ] - [ -0.0000442600000000, -0.0002273200000000, 0.0017763800000000 ] - [ -0.0000067000000000, -0.0000061600000000, 0.0026008800000000 ] - [ -0.0001078600000000, -0.0001046400000000, 0.0021145100000000 ] - [ -0.0001558700000000, -0.0004889600000000, -0.0108098600000000 ] - [ 0.0019567300000000, 0.0000367100000000, 0.0019897500000000 ] - [ 0.0125442400000000, 0.0210798900000000, 0.0225780900000000 ] - [ 0.0005131100000000, 0.0000066400000000, 0.0020011700000000 ] - [ 0.0005013800000000, -0.0001094900000000, -0.0108098600000000 ] - [ -0.0051805600000000, 0.0089730000000000, -0.0176667200000000 ] - [ -0.0010101500000000, -0.0016762200000000, 0.0019897500000000 ] - [ 0.0000225300000000, -0.0000390200000000, 0.0026886900000000 ] - [ 0.0001721600000000, 0.0016373000000000, -0.0018650200000000 ] - [ -0.0259224800000000, -0.0019449400000000, 0.0234002100000000 ] - [ 0.0002189900000000, -0.0000753200000000, 0.0017763800000000 ] - [ -0.0002049900000000, 0.0003550500000000, 0.0020653200000000 ] - [ 0.0002562400000000, -0.0009607100000000, 0.0009366100000000 ] - [ -0.0000241200000000, -0.0000446900000000, 0.0025202100000000 ] - [ 0.0000025300000000, 0.0002259300000000, 0.0002472300000000 ] - [ 0.0000433300000000, -0.0000750400000000, -0.0021754100000000 ] - [ 0.0002470000000000, 0.0001082900000000, -0.0015677200000000 ] - [ -0.0058991500000000, 0.0102176300000000, 0.0348961400000000 ] - [ -0.0000462100000000, -0.0002456900000000, 0.0003262800000000 ] - [ 0.0000762800000000, -0.0001426100000000, -0.0014710200000000 ] - [ 0.0002135900000000, -0.0003699500000000, -0.0014104800000000 ] - [ -0.0030039200000000, 0.0018350400000000, 0.0041569600000000 ] - [ -0.0001717600000000, 0.0001915500000000, -0.0018438000000000 ] - [ -0.0000800000000000, 0.0002445200000000, -0.0018438000000000 ] - [ 0.0081432300000000, 0.0024026400000000, 0.0323319800000000 ] - [ -0.0002172800000000, -0.0001597600000000, -0.0015677200000000 ] - [ 0.0035123100000000, 0.0010275000000000, -0.0018813200000000 ] - [ -0.0001226900000000, 0.0001193100000000, -0.0013416900000000 ] - [ -0.0002279900000000, -0.0000817900000000, -0.0012499900000000 ] - [ -0.0000668300000000, -0.0001876300000000, -0.0013264000000000 ] - [ 0.0001614900000000, 0.0002917600000000, -0.0011508300000000 ] - [ 0.0030604100000000, 0.0018254100000000, 0.0035357400000000 ] - [ 0.0001825400000000, -0.0000294100000000, -0.0013426000000000 ] - [ 0.0000486700000000, 0.0000775700000000, -0.0021758100000000 ] - [ -0.0024000000000000, 0.0022361800000000, 0.0039017600000000 ] - [ -0.0026083000000000, -0.0034168200000000, 0.0075978700000000 ] - [ -0.0002171100000000, 0.0001038800000000, -0.0012805400000000 ] - [ 0.0000185900000000, 0.0002399700000000, -0.0012805400000000 ] - [ -0.0000038700000000, -0.0000043800000000, -0.0019597000000000 ] - [ 0.0001848300000000, 0.0001565500000000, -0.0012499900000000 ] - [ -0.0005038500000000, 0.0008726900000000, -0.0035159400000000 ] - [ 0.0005113300000000, -0.0005030200000000, 0.0047102400000000 ] - [ -0.0012731100000000, -0.0004349800000000, 0.0247148600000000 ] - [ 0.0003133000000000, -0.0005426500000000, -0.0022646900000000 ] - [ 0.0000690700000000, 0.0001184800000000, -0.0016400600000000 ] - [ -0.0022248800000000, -0.0018901200000000, -0.0016271600000000 ] - [ -0.0000872300000000, 0.0035189900000000, 0.0041569600000000 ] - [ -0.0007943400000000, 0.0013758300000000, -0.0089681000000000 ] - [ 0.0010132600000000, 0.0008850600000000, 0.0247148600000000 ] - [ 0.0027493400000000, 0.0009817400000000, -0.0016271600000000 ] - [ 0.0000841300000000, 0.0000033900000000, -0.0014202800000000 ] - [ 0.0000715700000000, 0.0001438500000000, -0.0014718900000000 ] - [ -0.0061523600000000, -0.0058509200000000, 0.0323319800000000 ] - [ 0.0001062500000000, 0.0000004400000000, -0.0012186500000000 ] - [ 0.0002358800000000, -0.0000828300000000, 0.0003262800000000 ] - [ -0.0023586300000000, 0.0040852700000000, 0.0063658100000000 ] - [ 0.0001587100000000, -0.0001467400000000, -0.0015383200000000 ] - [ -0.0001761200000000, 0.0000716400000000, 0.0002409400000000 ] - [ 0.0044164700000000, -0.0005397600000000, 0.0061788500000000 ] - [ -0.0004372500000000, -0.0002901000000000, -0.0013743800000000 ] - [ -0.0004479600000000, -0.0000115700000000, -0.0021642700000000 ] - [ 0.0000121700000000, -0.0000210800000000, 0.0000634200000000 ] - [ -0.0001890600000000, 0.0003274600000000, -0.0012393300000000 ] - [ -0.0000977900000000, 0.0001693800000000, -0.0013648100000000 ] - [ 0.0001417600000000, 0.0000695800000000, -0.0013264300000000 ] - [ -0.0000658000000000, -0.0001727800000000, -0.0013426000000000 ] - [ -0.0000248500000000, 0.0000430400000000, -0.0014655400000000 ] - [ 0.0002340000000000, 0.0003821600000000, -0.0021642700000000 ] - [ 0.0000406300000000, -0.0002453000000000, -0.0012481000000000 ] - [ -0.0005329600000000, -0.0034997600000000, -0.0019656800000000 ] - [ -0.0001371400000000, -0.0000005700000000, -0.0016400600000000 ] - [ 0.0004698600000000, 0.0002336200000000, -0.0013743800000000 ] - [ -0.0001482800000000, 0.0002568300000000, 0.0002605200000000 ] - [ 0.0042632000000000, 0.0005504400000000, 0.0075978700000000 ] - [ -0.0003334200000000, 0.0000060300000000, -0.0011508300000000 ] - [ -0.0001925900000000, -0.0000078000000000, -0.0015090100000000 ] - [ 0.0003202700000000, -0.0038862400000000, 0.0043157000000000 ] - [ -0.0000535100000000, -0.0000918000000000, -0.0012186500000000 ] - [ -0.0001957700000000, -0.0000831200000000, -0.0015092300000000 ] - [ -0.0000915100000000, -0.0000033700000000, -0.0021758100000000 ] - [ -0.0001443500000000, 0.0000522800000000, 0.0012019000000000 ] - [ 0.0001799600000000, -0.0006943400000000, 0.0047102400000000 ] - [ 0.0001921200000000, -0.0001578400000000, -0.0012481000000000 ] - [ -0.0017407900000000, -0.0040946600000000, 0.0061788500000000 ] - [ 0.0032973600000000, -0.0012883200000000, -0.0019656800000000 ] - [ -0.0000419800000000, 0.0001659000000000, -0.0013416900000000 ] - [ -0.0004478700000000, -0.0037014800000000, -0.0021070300000000 ] - [ -0.0008511600000000, 0.0032659900000000, -0.0020524500000000 ] - [ 0.0000057300000000, 0.0000011600000000, -0.0019597000000000 ] - [ 0.0032054400000000, -0.0022204800000000, 0.0043157000000000 ] - [ 0.0000853600000000, -0.0001373700000000, -0.0014710200000000 ] - [ -0.0000450000000000, -0.0000711600000000, -0.0014202800000000 ] - [ -0.0003975100000000, 0.0006885000000000, -0.0084045500000000 ] - [ -0.0027962600000000, -0.0016419100000000, 0.0043908300000000 ] - [ 0.0034295100000000, -0.0014628700000000, -0.0021070300000000 ] - [ -0.0019344200000000, 0.0008523800000000, -0.0011043500000000 ] - [ 0.0002290300000000, 0.0021014400000000, -0.0011043500000000 ] - [ -0.0183750200000000, 0.0318264600000000, 0.0576526900000000 ] - [ 0.0000834300000000, -0.0001445100000000, -0.0016881500000000 ] - [ 0.0000269000000000, 0.0001511500000000, 0.0012019000000000 ] - [ -0.0001603700000000, 0.0000099400000000, -0.0014718900000000 ] - [ -0.0001969300000000, 0.0001107800000000, 0.0002472300000000 ] - [ -0.0001983000000000, 0.0001112200000000, -0.0015348600000000 ] - [ -0.0024028500000000, 0.0023701200000000, -0.0020524500000000 ] - [ 0.0000260200000000, 0.0001883400000000, 0.0002409400000000 ] - [ -0.0031110600000000, -0.0017376800000000, 0.0035357400000000 ] - [ 0.0001959000000000, -0.0000359400000000, -0.0013264000000000 ] - [ 0.0001698700000000, 0.0001279800000000, -0.0015092300000000 ] - [ -0.0026460000000000, -0.0025280000000000, -0.0018813200000000 ] - [ 0.0002101400000000, -0.0003639800000000, -0.0021400500000000 ] - [ 0.0000477200000000, -0.0002108100000000, -0.0015383200000000 ] - [ -0.0001311300000000, -0.0000879700000000, -0.0013264300000000 ] - [ 0.0028200700000000, 0.0016006800000000, 0.0043908300000000 ] - [ 0.0001030500000000, 0.0001628900000000, -0.0015090100000000 ] - [ -0.0007365900000000, 0.0031965500000000, 0.0039017600000000 ] - [ 0.0000028300000000, 0.0002273400000000, -0.0015348600000000 ] - [ -0.0000545800000000, 0.0000945300000000, -0.0014062500000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003366000000000, 0.0005830000000000, -0.0031157300000000 ] - [ -0.0003276500000000, -0.0004717000000000, -0.0026220700000000 ] - [ -0.0000049300000000, 0.0000085300000000, -0.0017977200000000 ] - [ -0.0004267600000000, -0.0006146100000000, -0.0031087200000000 ] - [ 0.0007456400000000, 0.0000622800000000, -0.0031087200000000 ] - [ 0.0005723300000000, 0.0000479000000000, -0.0026220700000000 ] - [ -0.0034970700000000, 0.0060571000000000, 0.0125185700000000 ] - [ -0.0000521100000000, -0.0000020200000000, -0.0021824700000000 ] - [ -0.0000272900000000, 0.0003151200000000, -0.0024548600000000 ] - [ 0.0000218600000000, -0.0000378600000000, -0.0027469600000000 ] - [ 0.0001269400000000, 0.0002538200000000, -0.0020948700000000 ] - [ -0.0023036400000000, 0.0039900200000000, -0.0054885900000000 ] - [ 0.0013900900000000, -0.0024077000000000, -0.0023082600000000 ] - [ -0.0000106000000000, -0.0000005900000000, -0.0019750200000000 ] - [ 0.0246046600000000, 0.0002781500000000, -0.0228906100000000 ] - [ -0.0006349300000000, 0.0024822700000000, 0.0023445000000000 ] - [ -0.0002592500000000, 0.0001812000000000, -0.0024548600000000 ] - [ -0.0265406900000000, 0.0459698200000000, 0.2565480400000000 ] - [ -0.0000398500000000, -0.0003301900000000, -0.0024582500000000 ] - [ 0.0000805400000000, 0.0001508700000000, -0.0018594700000000 ] - [ 0.0020209000000000, -0.0005999400000000, 0.0020462600000000 ] - [ -0.0000161000000000, -0.0000421200000000, -0.0020996200000000 ] - [ -0.0013415700000000, -0.0011463900000000, 0.0018829600000000 ] - [ 0.0002344300000000, 0.0000434200000000, -0.0025266300000000 ] - [ 0.0000255500000000, 0.0000485200000000, -0.0019476400000000 ] - [ 0.0015092700000000, 0.0002075800000000, 0.0021663900000000 ] - [ -0.0027446600000000, -0.0000701000000000, -0.0029937800000000 ] - [ 0.0043194800000000, 0.0083391000000000, 0.0143590300000000 ] - [ -0.0000548000000000, 0.0000021400000000, -0.0019476400000000 ] - [ -0.0003855500000000, -0.0000145800000000, -0.0020330700000000 ] - [ -0.0098873000000000, -0.0012725100000000, 0.0163481300000000 ] - [ 0.0000952300000000, -0.0001649400000000, -0.0018583700000000 ] - [ 0.0001688100000000, -0.0003471000000000, -0.0020322100000000 ] - [ -0.0001548200000000, -0.0001813100000000, -0.0025266300000000 ] - [ -0.0009344000000000, -0.0012032800000000, 0.0021663900000000 ] - [ -0.0006568900000000, 0.0007006400000000, -0.0005177200000000 ] - [ -0.0114293000000000, 0.0197961300000000, -0.0198232300000000 ] - [ 0.0002161900000000, -0.0003197500000000, -0.0020322100000000 ] - [ 0.0060456800000000, 0.0079264000000000, 0.0163481300000000 ] - [ 0.0018429800000000, -0.0009220800000000, 0.0024954200000000 ] - [ -0.0000707100000000, 0.0001224700000000, -0.0029413000000000 ] - [ -0.0018322400000000, 0.0017910000000000, 0.0023445000000000 ] - [ -0.0139259500000000, -0.0212391900000000, -0.0229874000000000 ] - [ -0.0001709200000000, 0.0000056900000000, -0.0018594700000000 ] - [ -0.0001229400000000, -0.0020571100000000, 0.0024954200000000 ] - [ -0.0093816100000000, 0.0004287700000000, 0.0143590300000000 ] - [ 0.0003058700000000, -0.0001305800000000, -0.0024582500000000 ] - [ 0.0016635900000000, 0.0005886400000000, 0.0018829600000000 ] - [ -0.0002832800000000, 0.0000169800000000, -0.0020948700000000 ] - [ 0.0014330400000000, 0.0023418900000000, -0.0029937800000000 ] - [ -0.0001037600000000, -0.0000456100000000, -0.0019557800000000 ] - [ 0.0000913700000000, 0.0000670500000000, -0.0019557800000000 ] - [ 0.0013310200000000, -0.0023053900000000, -0.0032782900000000 ] - [ 0.0000251600000000, -0.0000435700000000, -0.0020023300000000 ] - [ 0.0000200800000000, 0.0001906700000000, -0.0022038400000000 ] - [ 0.0000058100000000, 0.0000088800000000, -0.0019750200000000 ] - [ 0.0002054000000000, 0.0003266100000000, -0.0020330700000000 ] - [ 0.0002225200000000, 0.0006064300000000, 0.0101897800000000 ] - [ -0.0018526800000000, 0.0001319100000000, -0.0025673600000000 ] - [ -0.0125432200000000, -0.0211691900000000, -0.0228906100000000 ] - [ 0.0000445200000000, -0.0000071200000000, -0.0020996200000000 ] - [ -0.0006364500000000, 0.0001105100000000, 0.0101897800000000 ] - [ 0.0052872500000000, -0.0091577900000000, 0.0170154400000000 ] - [ 0.0008121000000000, 0.0016704300000000, -0.0025673600000000 ] - [ 0.0000727800000000, -0.0001260600000000, -0.0021216900000000 ] - [ -0.0004908800000000, -0.0020501200000000, 0.0020462600000000 ] - [ 0.0253566500000000, 0.0014406300000000, -0.0229874000000000 ] - [ -0.0001751600000000, 0.0000779500000000, -0.0022038400000000 ] - [ -0.0000747200000000, 0.0001294300000000, -0.0021652200000000 ] - [ -0.0002783300000000, 0.0009192000000000, -0.0005177200000000 ] - [ 0.0000278000000000, 0.0000441100000000, -0.0021824700000000 ] - [ -0.0002195300000000, -0.0001176800000000, -0.0006676800000000 ] - [ 0.0000196400000000, -0.0000340200000000, 0.0013052600000000 ] - [ -0.0000876700000000, -0.0002846500000000, 0.0016968900000000 ] - [ 0.0050870100000000, -0.0088109600000000, -0.0342491100000000 ] - [ 0.0000297400000000, 0.0002168200000000, -0.0008572700000000 ] - [ 0.0000254100000000, -0.0000437400000000, 0.0015377400000000 ] - [ -0.0002313200000000, 0.0004006600000000, 0.0019474600000000 ] - [ 0.0031113900000000, -0.0020130400000000, -0.0042284200000000 ] - [ 0.0003914100000000, 0.0001886500000000, 0.0018466600000000 ] - [ -0.0003590800000000, -0.0002446500000000, 0.0018466600000000 ] - [ -0.0069713100000000, -0.0023002800000000, -0.0320915400000000 ] - [ 0.0002903500000000, -0.0000664000000000, 0.0016968900000000 ] - [ -0.0033208600000000, -0.0009043500000000, 0.0014536000000000 ] - [ 0.0001371700000000, 0.0001222200000000, 0.0017566800000000 ] - [ 0.0001726700000000, 0.0001839600000000, 0.0016207200000000 ] - [ -0.0001491300000000, 0.0000825800000000, 0.0017425600000000 ] - [ -0.0001788500000000, -0.0003204000000000, 0.0016895100000000 ] - [ -0.0027788800000000, -0.0018310300000000, -0.0037970800000000 ] - [ 0.0005129800000000, 0.0000321700000000, 0.0017071000000000 ] - [ 0.0000139000000000, 0.0000300500000000, 0.0013057000000000 ] - [ 0.0023481800000000, -0.0021433900000000, -0.0042728900000000 ] - [ 0.0024913200000000, 0.0034229900000000, -0.0067439000000000 ] - [ 0.0001655400000000, -0.0002051500000000, 0.0016503000000000 ] - [ 0.0000949000000000, -0.0002459400000000, 0.0016503000000000 ] - [ 0.0000038500000000, 0.0000049800000000, 0.0016388300000000 ] - [ -0.0002456500000000, -0.0000575600000000, 0.0016207200000000 ] - [ 0.0001732000000000, -0.0002999900000000, 0.0034946200000000 ] - [ -0.0004824400000000, 0.0005508600000000, -0.0046327900000000 ] - [ 0.0002022800000000, 0.0004613300000000, -0.0254479400000000 ] - [ -0.0000878900000000, 0.0001522400000000, 0.0022650200000000 ] - [ -0.0000395400000000, -0.0000672700000000, 0.0015551800000000 ] - [ 0.0023696800000000, 0.0020648100000000, 0.0015166700000000 ] - [ 0.0001876500000000, -0.0037010600000000, -0.0042284200000000 ] - [ 0.0007744100000000, -0.0013413100000000, 0.0083465800000000 ] - [ -0.0005006600000000, 0.0000554900000000, -0.0254479400000000 ] - [ -0.0029730200000000, -0.0010198000000000, 0.0015166700000000 ] - [ 0.0002112900000000, -0.0000030900000000, 0.0016849400000000 ] - [ 0.0000292000000000, 0.0000400100000000, 0.0015395100000000 ] - [ 0.0054777600000000, 0.0048871900000000, -0.0320915400000000 ] - [ 0.0001548100000000, -0.0000010100000000, 0.0012321200000000 ] - [ -0.0002026400000000, 0.0000826500000000, -0.0008572700000000 ] - [ 0.0024250300000000, -0.0042002700000000, -0.0055116100000000 ] - [ -0.0000004900000000, 0.0003231700000000, 0.0016674600000000 ] - [ -0.0000563600000000, -0.0000220000000000, -0.0003625300000000 ] - [ -0.0044149200000000, 0.0005428400000000, -0.0058439900000000 ] - [ 0.0000345100000000, -0.0004104000000000, 0.0010557800000000 ] - [ 0.0004507000000000, 0.0000107700000000, 0.0021629900000000 ] - [ -0.0004151900000000, 0.0007191300000000, 0.0002585400000000 ] - [ -0.0002138400000000, 0.0003703800000000, 0.0009231100000000 ] - [ -0.0002506000000000, 0.0004340600000000, 0.0017312700000000 ] - [ 0.0000614600000000, -0.0002008000000000, 0.0017407100000000 ] - [ -0.0002843500000000, -0.0004281700000000, 0.0017071000000000 ] - [ -0.0001228000000000, 0.0002127000000000, 0.0017300300000000 ] - [ -0.0002346800000000, -0.0003849400000000, 0.0021629900000000 ] - [ 0.0000737100000000, 0.0002511300000000, 0.0016172400000000 ] - [ 0.0006109100000000, 0.0032614300000000, 0.0018516300000000 ] - [ 0.0000780200000000, 0.0000006000000000, 0.0015551800000000 ] - [ 0.0003381700000000, -0.0002350900000000, 0.0010557800000000 ] - [ -0.0002004900000000, 0.0003472600000000, -0.0006338700000000 ] - [ -0.0042100600000000, -0.0004460500000000, -0.0067439000000000 ] - [ 0.0003669000000000, -0.0000053100000000, 0.0016895100000000 ] - [ -0.0000182200000000, 0.0000015700000000, 0.0015768300000000 ] - [ -0.0003789100000000, 0.0037936400000000, -0.0046841500000000 ] - [ -0.0000765300000000, -0.0001345800000000, 0.0012321200000000 ] - [ -0.0001283900000000, -0.0004732300000000, 0.0015111500000000 ] - [ -0.0000329800000000, 0.0000029900000000, 0.0013057000000000 ] - [ 0.0004046500000000, -0.0000531100000000, -0.0012204300000000 ] - [ -0.0002358400000000, 0.0006932300000000, -0.0046327900000000 ] - [ -0.0002543400000000, 0.0000617300000000, 0.0016172400000000 ] - [ 0.0017373500000000, 0.0040948600000000, -0.0058439900000000 ] - [ -0.0031299300000000, 0.0011016500000000, 0.0018516300000000 ] - [ -0.0001744300000000, -0.0000576800000000, 0.0017566800000000 ] - [ 0.0011363200000000, 0.0037129200000000, 0.0017261100000000 ] - [ 0.0008566300000000, -0.0035183600000000, 0.0016233200000000 ] - [ -0.0000062400000000, -0.0000008500000000, 0.0016388300000000 ] - [ -0.0030959400000000, 0.0022249700000000, -0.0046841500000000 ] - [ 0.0000251700000000, -0.0000438700000000, 0.0015377400000000 ] - [ -0.0001029700000000, -0.0001845200000000, 0.0016849400000000 ] - [ 0.0002672400000000, -0.0004628700000000, 0.0084394500000000 ] - [ 0.0028925600000000, 0.0018224700000000, -0.0044648500000000 ] - [ -0.0037836400000000, 0.0008723700000000, 0.0017261100000000 ] - [ 0.0015178400000000, -0.0015472900000000, 0.0014246600000000 ] - [ 0.0005810700000000, -0.0020881300000000, 0.0014246600000000 ] - [ 0.0196075000000000, -0.0339611900000000, -0.0592524800000000 ] - [ -0.0000547800000000, 0.0000948800000000, 0.0016039700000000 ] - [ -0.0001563300000000, -0.0003769900000000, -0.0012204300000000 ] - [ -0.0000492500000000, -0.0000052800000000, 0.0015395100000000 ] - [ 0.0002116800000000, 0.0001312800000000, -0.0006676800000000 ] - [ 0.0002713100000000, 0.0001136400000000, 0.0016653300000000 ] - [ 0.0026186700000000, -0.0025010400000000, 0.0016233200000000 ] - [ 0.0000472300000000, 0.0000378100000000, -0.0003625300000000 ] - [ 0.0029751600000000, 0.0014910600000000, -0.0037970800000000 ] - [ 0.0000030500000000, 0.0001704400000000, 0.0017425600000000 ] - [ 0.0004740300000000, -0.0001254300000000, 0.0015111500000000 ] - [ 0.0024436200000000, 0.0024237700000000, 0.0014536000000000 ] - [ -0.0002108300000000, 0.0003651700000000, 0.0021387800000000 ] - [ -0.0002796300000000, 0.0001620100000000, 0.0016674600000000 ] - [ 0.0001431700000000, -0.0001536200000000, 0.0017407100000000 ] - [ -0.0030245900000000, -0.0015937900000000, -0.0044648500000000 ] - [ 0.0000077500000000, 0.0000165600000000, 0.0015768300000000 ] - [ 0.0006821400000000, -0.0031052700000000, -0.0042728900000000 ] - [ -0.0002340700000000, -0.0001781400000000, 0.0016653300000000 ] - [ -0.0000751300000000, 0.0001301200000000, 0.0014214600000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002623800000000, -0.0000933000000000, -0.0000155000000000 ] - [ -0.0000904500000000, -0.0005315500000000, 0.0007549500000000 ] - [ -0.0007537200000000, 0.0174588000000000, 0.0008472400000000 ] - [ 0.0001327600000000, 0.0000551500000000, -0.0000552800000000 ] - [ -0.0002711900000000, 0.0000568400000000, -0.0001358100000000 ] - [ 0.0008541500000000, 0.0000052400000000, -0.0012879800000000 ] - [ -0.0000056100000000, 0.0000149500000000, -0.0002365100000000 ] - [ 0.0004694700000000, -0.0001673900000000, 0.0012868700000000 ] - [ 0.0115209500000000, -0.0083251000000000, -0.0106936800000000 ] - [ -0.0006360900000000, 0.0008496600000000, -0.0009450700000000 ] - [ 0.0047867400000000, 0.0011816800000000, -0.0022802000000000 ] - [ -0.0000744500000000, 0.0001856500000000, 0.0006912000000000 ] - [ -0.0000028000000000, 0.0000184800000000, 0.0003206600000000 ] - [ 0.0184103800000000, -0.0010544600000000, 0.0079870700000000 ] - [ -0.0001342800000000, -0.0000108600000000, -0.0001022700000000 ] - [ 0.0000425200000000, 0.0000994200000000, -0.0000805600000000 ] - [ -0.0112871400000000, 0.0040718800000000, -0.0051704500000000 ] - [ 0.0000443800000000, -0.0000545900000000, -0.0003519000000000 ] - [ 0.0019287500000000, -0.0055389300000000, 0.0008751500000000 ] - [ -0.2615824700000000, 0.0114701000000000, 0.0041385000000000 ] - [ 0.0002459300000000, 0.0000575100000000, -0.0000205100000000 ] - [ -0.0052985400000000, -0.0006116800000000, 0.0049624200000000 ] - [ -0.0001601500000000, 0.0002522200000000, 0.0000614300000000 ] - [ 0.0127514300000000, -0.0168797500000000, 0.0177398200000000 ] - [ 0.0036420200000000, 0.0146691900000000, 0.0055140700000000 ] - [ -0.0001675900000000, -0.0002470800000000, 0.0000083000000000 ] - [ 0.0000145000000000, -0.0000030100000000, -0.0000982100000000 ] - [ -0.0000671700000000, -0.0000063200000000, -0.0003752800000000 ] - [ 0.0041351700000000, -0.0135965500000000, 0.0052940700000000 ] - [ 0.0022535900000000, 0.0036569100000000, 0.0027054900000000 ] - [ 0.0000091400000000, 0.0000000900000000, -0.0003736300000000 ] - [ 0.0038203200000000, -0.0029010400000000, 0.0002285700000000 ] - [ -0.0000806400000000, 0.0008867800000000, 0.0001758500000000 ] - [ 0.0102261500000000, 0.0000954900000000, -0.0009259600000000 ] - [ 0.0002931300000000, -0.0000139700000000, 0.0000121500000000 ] - [ -0.0000583100000000, 0.0000655700000000, 0.0000738800000000 ] - [ -0.0001150000000000, 0.0002300400000000, -0.0000002000000000 ] - [ -0.0039564400000000, 0.0005469000000000, 0.0043509700000000 ] - [ -0.0000019600000000, -0.0000069300000000, -0.0003535300000000 ] - [ 0.0000259500000000, -0.0001085800000000, -0.0000806900000000 ] - [ -0.0000026100000000, 0.0028141900000000, 0.0037892500000000 ] - [ -0.0001063700000000, 0.0000230400000000, -0.0000755200000000 ] - [ 0.0002333900000000, -0.0000640900000000, 0.0001242100000000 ] - [ 0.0025976000000000, 0.0021888300000000, 0.0005742600000000 ] - [ 0.0000586100000000, -0.0000818600000000, -0.0000818500000000 ] - [ 0.0000108500000000, 0.0000656000000000, -0.0003745900000000 ] - [ 0.0115474100000000, 0.0075846300000000, -0.0094853100000000 ] - [ -0.0001843500000000, 0.0001686300000000, -0.0000150300000000 ] - [ -0.0033737700000000, 0.0002557300000000, -0.0102866200000000 ] - [ 0.0000010900000000, -0.0000218100000000, -0.0002935600000000 ] - [ -0.0075272300000000, 0.0011163800000000, -0.0001805200000000 ] - [ 0.0010446400000000, -0.0003622700000000, 0.0000454600000000 ] - [ 0.0001955300000000, -0.0001013400000000, -0.0002552700000000 ] - [ 0.0283186500000000, 0.0011782200000000, -0.0091183600000000 ] - [ 0.0003500800000000, 0.0019288900000000, -0.0010201400000000 ] - [ -0.0012487500000000, -0.0128347400000000, -0.0045483400000000 ] - [ 0.0005276400000000, -0.0014035300000000, 0.0004909000000000 ] - [ 0.0000237000000000, 0.0000672700000000, -0.0003677300000000 ] - [ -0.0001122500000000, 0.0000217700000000, -0.0004056600000000 ] - [ 0.0000954900000000, 0.0001081600000000, -0.0000927600000000 ] - [ 0.0020892500000000, -0.0027241300000000, 0.0019589900000000 ] - [ -0.0000719900000000, -0.0000075900000000, -0.0003644800000000 ] - [ 0.0000594700000000, -0.0000722500000000, -0.0003760500000000 ] - [ 0.0000001000000000, -0.0000367000000000, -0.0003734700000000 ] - [ 0.0018574500000000, -0.0004285900000000, 0.0004340700000000 ] - [ -0.0001498100000000, -0.0002685600000000, 0.0000796300000000 ] - [ 0.0000347800000000, -0.0002386700000000, 0.0000303600000000 ] - [ -0.0024033300000000, 0.0003331600000000, -0.0018045900000000 ] - [ 0.0048671900000000, -0.0005657200000000, -0.0025429000000000 ] - [ -0.0000158100000000, 0.0001177500000000, 0.0000003700000000 ] - [ -0.0006609500000000, -0.0008201400000000, -0.0004660600000000 ] - [ -0.0000963200000000, 0.0000714700000000, -0.0001566700000000 ] - [ -0.0023289800000000, 0.0007042400000000, -0.0004389200000000 ] - [ -0.0030456700000000, -0.0007063100000000, 0.0011716600000000 ] - [ -0.0001046200000000, 0.0001377700000000, -0.0001198500000000 ] - [ 0.0000364200000000, -0.0000185700000000, -0.0001735900000000 ] - [ -0.0002630900000000, 0.0027789700000000, 0.0001236800000000 ] - [ -0.0054143500000000, -0.0008874200000000, -0.0052280500000000 ] - [ 0.0000574700000000, -0.0000909500000000, -0.0000018900000000 ] - [ 0.0012432600000000, -0.0001167200000000, 0.0002890800000000 ] - [ -0.0004468800000000, 0.0002492900000000, 0.0001766100000000 ] - [ 0.0000702200000000, 0.0000007000000000, -0.0001762000000000 ] - [ -0.0011831700000000, 0.0018782400000000, -0.0011541400000000 ] - [ 0.0001156100000000, 0.0000591600000000, -0.0001572700000000 ] - [ 0.0021995000000000, 0.0003206900000000, 0.0003412700000000 ] - [ 0.0007803600000000, -0.0057401300000000, -0.0004313200000000 ] - [ -0.0013898900000000, -0.0002573800000000, -0.0004821900000000 ] - [ -0.0009154600000000, -0.0031968000000000, 0.0041395100000000 ] - [ 0.0001430100000000, 0.0000173500000000, -0.0000886700000000 ] - [ -0.0000685300000000, -0.0013488800000000, 0.0010181400000000 ] - [ 0.0215222000000000, -0.0003835200000000, -0.0015034300000000 ] - [ -0.0000106300000000, 0.0000584700000000, -0.0001424300000000 ] - [ -0.0000683200000000, 0.0000011000000000, 0.0004712000000000 ] - [ -0.0076302600000000, -0.0034924500000000, -0.0004816800000000 ] - [ 0.1163502100000000, 0.0000412500000000, 0.0304553600000000 ] - [ 0.0023363800000000, 0.0088222300000000, -0.0022065600000000 ] - [ 0.0471767900000000, -0.0451177300000000, -0.0185380200000000 ] - [ -0.0000920300000000, -0.0000642100000000, -0.0011632700000000 ] - [ 0.0000167700000000, 0.0000206900000000, 0.0000737300000000 ] - [ -0.0001223700000000, -0.0000027500000000, 0.0000017600000000 ] - [ -0.0003600200000000, -0.0002042300000000, -0.0001172000000000 ] - [ -0.0001075600000000, -0.0027252800000000, -0.0000280900000000 ] - [ 0.0001662100000000, 0.0000582700000000, -0.0000446500000000 ] - [ 0.0000498800000000, -0.0000875500000000, -0.0000037000000000 ] - [ -0.0000733500000000, 0.0000534400000000, -0.0004086400000000 ] - [ 0.0000546900000000, 0.0000955500000000, 0.0000005100000000 ] - [ -0.0001830400000000, 0.0000388300000000, 0.0000763900000000 ] - [ -0.0028505200000000, 0.0031771300000000, 0.0004390400000000 ] - [ -0.0026079200000000, 0.0040954900000000, -0.0053254000000000 ] - [ -0.0000526500000000, -0.0000604000000000, -0.0001567300000000 ] - [ 0.0005348400000000, 0.0009088300000000, -0.0009671600000000 ] - [ 0.0000062000000000, 0.0000326300000000, -0.0002036400000000 ] - [ 0.0000236800000000, -0.0000577000000000, 0.0004704800000000 ] - [ 0.0063408500000000, 0.0038901900000000, -0.0042218800000000 ] - [ -0.0000787600000000, 0.0000893200000000, -0.0000786500000000 ] - [ -0.0000066000000000, 0.0000016100000000, 0.0002304300000000 ] - [ 0.0028606800000000, -0.0018347300000000, -0.0016602000000000 ] - [ -0.0000123900000000, 0.0000209100000000, -0.0001545800000000 ] - [ -0.0002381000000000, 0.0003570300000000, 0.0002379200000000 ] - [ -0.0003656900000000, -0.0000772500000000, -0.0000015300000000 ] - [ -0.0001419500000000, 0.0002905900000000, -0.0001085400000000 ] - [ -0.0014162600000000, 0.0001788900000000, -0.0007538100000000 ] - [ 0.0010858500000000, -0.0003337000000000, 0.0004160700000000 ] - [ -0.0099248800000000, 0.0039416900000000, -0.0003451200000000 ] - [ 0.0001019900000000, 0.0001091900000000, 0.0001798200000000 ] - [ -0.0040479000000000, -0.0034137800000000, 0.0002155400000000 ] - [ -0.0000277000000000, -0.0000922700000000, -0.0001124800000000 ] - [ 0.0027028200000000, 0.0016513400000000, -0.0024829800000000 ] - [ -0.0000850400000000, -0.0014480700000000, -0.0005000000000000 ] - [ -0.0001609400000000, 0.0002877800000000, -0.0001432100000000 ] - [ 0.0000430900000000, 0.0000519100000000, 0.0004729600000000 ] - [ -0.0006635300000000, 0.0031916400000000, 0.0029859200000000 ] - [ -0.0055246700000000, 0.0001484700000000, -0.0000570100000000 ] - [ -0.0000313600000000, -0.0000349100000000, -0.0001589600000000 ] - [ 0.0008066900000000, -0.0013074200000000, -0.0010800500000000 ] - [ -0.0001672500000000, -0.0006496600000000, 0.0005938500000000 ] - [ -0.0019623100000000, -0.0007064300000000, -0.0006070100000000 ] - [ 0.0001322500000000, 0.0000061000000000, 0.0000045900000000 ] - [ -0.0000244500000000, 0.0000013600000000, 0.0000738100000000 ] - [ -0.0001425900000000, 0.0044578600000000, 0.0001604400000000 ] - [ 0.0000089700000000, 0.0000045500000000, 0.0001815500000000 ] - [ -0.0000021100000000, -0.0001484500000000, 0.0000599200000000 ] - [ -0.0000528900000000, 0.0000914800000000, 0.0000589400000000 ] - [ 0.0003300100000000, -0.0000100000000000, -0.0001478300000000 ] - [ -0.0000197900000000, -0.0001076400000000, -0.0001718200000000 ] - [ -0.0098432200000000, 0.0001131700000000, 0.0027660200000000 ] - [ 0.0000562000000000, -0.0000136400000000, -0.0001345700000000 ] - [ -0.0037274100000000, -0.0053957100000000, -0.0071574900000000 ] - [ 0.0387844600000000, 0.0308286300000000, -0.0137457000000000 ] - [ -0.0000776800000000, 0.0001109900000000, 0.0000569600000000 ] - [ 0.0000500400000000, 0.0000947500000000, -0.0000035600000000 ] - [ -0.0001603600000000, -0.0002947100000000, -0.0001355300000000 ] - [ -0.0000052800000000, -0.0003970000000000, 0.0001137700000000 ] - [ 0.0003557400000000, -0.0002122100000000, 0.0001296100000000 ] - [ 0.0000150900000000, -0.0000327600000000, 0.0000839000000000 ] - [ -0.0050547800000000, -0.0036266600000000, 0.0076172500000000 ] - [ -0.0000565200000000, -0.0001183700000000, 0.0000028300000000 ] - [ 0.0044816800000000, -0.0000597900000000, -0.0011139300000000 ] - [ 0.0000434800000000, 0.0001216000000000, -0.0001920700000000 ] - [ 0.0000888100000000, -0.0000927900000000, 0.0071245500000000 ] - [ 0.0000837700000000, -0.0000772600000000, -0.0001972700000000 ] - [ 0.0001052800000000, 0.0001173100000000, 0.0000494300000000 ] - [ -0.0000505600000000, -0.0001292400000000, -0.0000846400000000 ] - [ 0.0014066800000000, -0.0000417500000000, 0.0004939200000000 ] - [ 0.0007815500000000, -0.0000954600000000, 0.0003918800000000 ] - [ -0.0001284400000000, -0.0000391300000000, -0.0001965000000000 ] - [ 0.0000921900000000, -0.0001184300000000, 0.0001401000000000 ] - [ -0.0030007700000000, 0.0007607000000000, 0.0012842100000000 ] - [ -0.0005603600000000, 0.0012311300000000, 0.0012113700000000 ] - [ -0.0000970000000000, 0.0000028700000000, -0.0000028900000000 ] - [ -0.0045042900000000, 0.0041801700000000, 0.0079176600000000 ] - [ -0.0000220400000000, 0.0000379000000000, -0.0001590100000000 ] - [ 0.0003820100000000, 0.0014801700000000, -0.0004103300000000 ] - [ -0.0014038800000000, 0.0002773500000000, 0.0022707300000000 ]- atom: 20 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002040700000000, -0.0000045100000000, 0.0000228900000000 ] - [ 0.0000915900000000, 0.0005305200000000, -0.0007509000000000 ] - [ 0.0008144400000000, -0.0174855000000000, -0.0004608400000000 ] - [ -0.0002492300000000, -0.0000563200000000, 0.0000616600000000 ] - [ 0.0003289700000000, 0.0000455900000000, 0.0001309000000000 ] - [ -0.0008560100000000, -0.0000049000000000, 0.0012854100000000 ] - [ 0.0000055900000000, -0.0000150700000000, -0.0001650400000000 ] - [ -0.0004880000000000, 0.0001615500000000, -0.0009362200000000 ] - [ -0.0118936700000000, 0.0086286500000000, 0.0104207800000000 ] - [ 0.0006469600000000, -0.0008433600000000, 0.0001037800000000 ] - [ -0.0046581300000000, -0.0009988800000000, 0.0023846100000000 ] - [ 0.0000583800000000, -0.0001435600000000, -0.0002606500000000 ] - [ 0.0000012100000000, -0.0000210300000000, 0.0005247900000000 ] - [ -0.0182118800000000, 0.0010353500000000, -0.0072558300000000 ] - [ -0.0001137600000000, -0.0000148000000000, 0.0000241900000000 ] - [ 0.0000533300000000, 0.0001274400000000, 0.0000017400000000 ] - [ 0.0111402900000000, -0.0036463300000000, 0.0050065800000000 ] - [ 0.0000239900000000, -0.0000620100000000, -0.0002723300000000 ] - [ -0.0022679500000000, 0.0051390100000000, -0.0010854400000000 ] - [ 0.2693903400000000, -0.0109865200000000, 0.0013876300000000 ] - [ 0.0002744900000000, 0.0000099300000000, 0.0002207400000000 ] - [ 0.0049132200000000, 0.0000776400000000, -0.0051005700000000 ] - [ -0.0000419600000000, 0.0002323000000000, 0.0001390500000000 ] - [ -0.0123045200000000, 0.0168142600000000, -0.0180052500000000 ] - [ -0.0036592500000000, -0.0145176400000000, -0.0049536500000000 ] - [ -0.0001110900000000, -0.0002353100000000, 0.0000911500000000 ] - [ -0.0000220100000000, 0.0000008800000000, -0.0002358100000000 ] - [ -0.0000921200000000, 0.0000007200000000, -0.0002761400000000 ] - [ -0.0043441200000000, 0.0135910800000000, -0.0047271500000000 ] - [ -0.0024719900000000, -0.0035883200000000, -0.0025911600000000 ] - [ -0.0000080800000000, 0.0000039100000000, -0.0002494800000000 ] - [ -0.0037356600000000, 0.0027834500000000, 0.0004086100000000 ] - [ 0.0002024500000000, -0.0010979300000000, -0.0001061800000000 ] - [ -0.0103602700000000, -0.0005812200000000, 0.0006823300000000 ] - [ 0.0002648300000000, 0.0000131200000000, 0.0000900200000000 ] - [ 0.0001028900000000, -0.0000585300000000, 0.0003573000000000 ] - [ -0.0001644100000000, 0.0002530300000000, 0.0001025200000000 ] - [ 0.0039714500000000, -0.0007270400000000, -0.0043184700000000 ] - [ 0.0000048500000000, 0.0000100700000000, -0.0002695400000000 ] - [ 0.0000758000000000, -0.0001193200000000, 0.0000025900000000 ] - [ -0.0000059100000000, -0.0027707800000000, -0.0042168000000000 ] - [ -0.0001329200000000, -0.0000010000000000, -0.0000020800000000 ] - [ 0.0002871200000000, -0.0000066300000000, 0.0000765400000000 ] - [ -0.0027519000000000, -0.0022219900000000, 0.0000663100000000 ] - [ 0.0000799300000000, -0.0001143000000000, 0.0000040600000000 ] - [ 0.0000671800000000, 0.0000696700000000, -0.0002752600000000 ] - [ -0.0110664100000000, -0.0074129900000000, 0.0092086600000000 ] - [ -0.0001373100000000, 0.0002465000000000, 0.0002155700000000 ] - [ 0.0032327200000000, -0.0002833300000000, 0.0104083100000000 ] - [ 0.0000009300000000, 0.0000144600000000, -0.0000427100000000 ] - [ 0.0076112800000000, -0.0009555800000000, 0.0007948800000000 ] - [ -0.0012334300000000, 0.0003533700000000, 0.0005188700000000 ] - [ -0.0000995700000000, -0.0000628600000000, -0.0003099100000000 ] - [ -0.0284313700000000, -0.0012919200000000, 0.0096781000000000 ] - [ -0.0003737500000000, -0.0019694300000000, 0.0005990700000000 ] - [ 0.0013120500000000, 0.0128831400000000, 0.0051807300000000 ] - [ -0.0004392900000000, 0.0016500200000000, -0.0004192500000000 ] - [ 0.0000435600000000, 0.0000493300000000, -0.0002563600000000 ] - [ 0.0002072400000000, 0.0001431300000000, -0.0001579500000000 ] - [ 0.0000532100000000, 0.0000879700000000, 0.0000139700000000 ] - [ -0.0015221500000000, 0.0026959800000000, -0.0020367500000000 ] - [ -0.0000631700000000, 0.0000083800000000, -0.0002598000000000 ] - [ 0.0000154600000000, -0.0000684400000000, -0.0002753600000000 ] - [ -0.0001904700000000, 0.0000371600000000, -0.0001917500000000 ] - [ -0.0017571700000000, 0.0002718300000000, 0.0001295100000000 ] - [ -0.0001700900000000, -0.0001487900000000, 0.0001195500000000 ] - [ -0.0002360200000000, -0.0002470400000000, 0.0001685300000000 ] - [ 0.0024521700000000, -0.0003190900000000, 0.0013906900000000 ] - [ -0.0051630600000000, 0.0010593000000000, 0.0024666100000000 ] - [ -0.0000049200000000, -0.0001535900000000, 0.0004270100000000 ] - [ 0.0006748200000000, 0.0008054900000000, 0.0008057900000000 ] - [ -0.0001187600000000, 0.0000414600000000, -0.0002574700000000 ] - [ 0.0023874600000000, -0.0008327300000000, -0.0004261700000000 ] - [ 0.0031999800000000, 0.0005156300000000, -0.0010200100000000 ] - [ -0.0000427800000000, 0.0001180000000000, -0.0001460400000000 ] - [ -0.0000548900000000, -0.0000134600000000, -0.0003655600000000 ] - [ 0.0003681800000000, -0.0029656400000000, -0.0000522500000000 ] - [ 0.0053804500000000, 0.0009169700000000, 0.0057506700000000 ] - [ 0.0000527600000000, -0.0000885100000000, -0.0000672700000000 ] - [ -0.0010237600000000, 0.0004926100000000, -0.0002917200000000 ] - [ 0.0000000700000000, -0.0002497900000000, -0.0001745400000000 ] - [ 0.0000450800000000, -0.0000045400000000, -0.0001946900000000 ] - [ 0.0012562400000000, -0.0021087700000000, 0.0012860100000000 ] - [ 0.0000834700000000, 0.0000785100000000, -0.0002621100000000 ] - [ -0.0021458400000000, -0.0000771400000000, 0.0000893900000000 ] - [ -0.0008398100000000, 0.0058850000000000, 0.0008097900000000 ] - [ 0.0011765000000000, 0.0001527800000000, 0.0008894100000000 ] - [ 0.0009209400000000, 0.0031895800000000, -0.0036381000000000 ] - [ 0.0001522600000000, -0.0000169300000000, -0.0001773000000000 ] - [ 0.0007629600000000, 0.0013592500000000, -0.0006598300000000 ] - [ -0.0214641100000000, 0.0005132000000000, 0.0001130600000000 ] - [ -0.0000503600000000, 0.0000395400000000, -0.0002284900000000 ] - [ -0.0000592000000000, -0.0000035500000000, 0.0003965100000000 ] - [ 0.0075610800000000, 0.0033987800000000, 0.0008606600000000 ] - [ -0.1243869300000000, 0.0000985300000000, -0.0330017700000000 ] - [ -0.0023452400000000, -0.0088634900000000, 0.0019071500000000 ] - [ -0.0468480100000000, 0.0435179200000000, 0.0182855900000000 ] - [ -0.0002325500000000, 0.0006297100000000, 0.0011585400000000 ] - [ 0.0000131300000000, 0.0000309800000000, 0.0000097300000000 ] - [ -0.0000906400000000, -0.0000022400000000, -0.0000709800000000 ] - [ 0.0005798100000000, -0.0001853900000000, 0.0001191900000000 ] - [ 0.0001485200000000, 0.0027614500000000, -0.0000508200000000 ] - [ -0.0000052300000000, 0.0001205300000000, -0.0000863300000000 ] - [ 0.0000523300000000, -0.0000994300000000, -0.0000654100000000 ] - [ 0.0000560700000000, -0.0000241300000000, -0.0001321500000000 ] - [ 0.0000543900000000, 0.0000817400000000, -0.0000710500000000 ] - [ -0.0000479300000000, -0.0000868100000000, -0.0002049100000000 ] - [ 0.0031749900000000, -0.0031706800000000, -0.0001624000000000 ] - [ 0.0027171100000000, -0.0038542400000000, 0.0053602800000000 ] - [ 0.0000045200000000, -0.0000408900000000, -0.0002132500000000 ] - [ -0.0002620700000000, -0.0009071800000000, 0.0009778100000000 ] - [ 0.0000280300000000, -0.0000327700000000, -0.0003373100000000 ] - [ 0.0000377600000000, -0.0000540600000000, 0.0003971700000000 ] - [ -0.0062117900000000, -0.0037143300000000, 0.0043563400000000 ] - [ -0.0001520700000000, -0.0000405100000000, -0.0000525000000000 ] - [ 0.0000059900000000, 0.0000001800000000, 0.0000888100000000 ] - [ -0.0032734300000000, 0.0011327700000000, 0.0013317300000000 ] - [ 0.0000151800000000, -0.0000212800000000, 0.0001505100000000 ] - [ -0.0001716900000000, 0.0003368900000000, 0.0000786700000000 ] - [ -0.0000438700000000, 0.0007663500000000, -0.0003167200000000 ] - [ -0.0002042700000000, 0.0003065800000000, 0.0004761300000000 ] - [ 0.0016184900000000, -0.0003094200000000, 0.0011527600000000 ] - [ -0.0014560700000000, -0.0002902000000000, -0.0000213400000000 ] - [ 0.0097311200000000, -0.0036669000000000, 0.0006295000000000 ] - [ -0.0001049100000000, -0.0001077200000000, -0.0001796300000000 ] - [ 0.0041800200000000, 0.0034042700000000, 0.0001697500000000 ] - [ 0.0001011400000000, -0.0001319300000000, -0.0000163800000000 ] - [ -0.0027466100000000, -0.0016871100000000, 0.0024204300000000 ] - [ 0.0008870200000000, 0.0014433600000000, 0.0001825400000000 ] - [ -0.0001827200000000, 0.0003178100000000, -0.0002266500000000 ] - [ 0.0000174600000000, 0.0000525600000000, 0.0003945900000000 ] - [ 0.0007148000000000, -0.0032064100000000, -0.0024696100000000 ] - [ 0.0053067300000000, -0.0001542900000000, 0.0001185300000000 ] - [ -0.0000323900000000, -0.0000573900000000, -0.0002111000000000 ] - [ -0.0009205800000000, 0.0010720700000000, 0.0010841400000000 ] - [ -0.0001509000000000, 0.0000984700000000, -0.0005994900000000 ] - [ 0.0018367900000000, 0.0007233000000000, -0.0002580300000000 ] - [ 0.0001259800000000, -0.0000078800000000, -0.0000190900000000 ] - [ -0.0000318200000000, -0.0000004300000000, 0.0000087500000000 ] - [ 0.0000804500000000, -0.0045859700000000, 0.0002126800000000 ] - [ -0.0000071300000000, -0.0000042600000000, 0.0001376800000000 ] - [ 0.0001596300000000, -0.0000274500000000, -0.0001906500000000 ] - [ -0.0001626300000000, 0.0000291400000000, 0.0003571800000000 ] - [ 0.0003665100000000, 0.0000152000000000, -0.0002217900000000 ] - [ 0.0000337000000000, -0.0001329600000000, -0.0002460100000000 ] - [ 0.0097618100000000, -0.0001025000000000, -0.0030117900000000 ] - [ 0.0000603000000000, 0.0000174500000000, -0.0002382400000000 ] - [ 0.0038200100000000, 0.0051280800000000, 0.0071465200000000 ] - [ -0.0386892900000000, -0.0298337800000000, 0.0134506500000000 ] - [ -0.0000531800000000, 0.0001115800000000, -0.0000718400000000 ] - [ 0.0000491600000000, 0.0000886900000000, -0.0000668900000000 ] - [ -0.0001869700000000, -0.0003068000000000, -0.0002311700000000 ] - [ -0.0003983500000000, -0.0003018600000000, 0.0002046300000000 ] - [ 0.0004501900000000, 0.0002044300000000, 0.0001869600000000 ] - [ 0.0000139200000000, -0.0000155800000000, -0.0000013100000000 ] - [ 0.0051104100000000, 0.0036009100000000, -0.0077547800000000 ] - [ -0.0000738800000000, -0.0001078100000000, -0.0000160000000000 ] - [ -0.0046800300000000, 0.0001051100000000, 0.0012089300000000 ] - [ -0.0000231600000000, 0.0001197300000000, -0.0002274900000000 ] - [ 0.0000220100000000, 0.0003191600000000, -0.0069777000000000 ] - [ 0.0001213700000000, -0.0000529800000000, -0.0002174300000000 ] - [ -0.0000304100000000, 0.0001115100000000, -0.0001800400000000 ] - [ -0.0000969900000000, -0.0001264800000000, -0.0001809900000000 ] - [ -0.0012318300000000, 0.0002025300000000, -0.0000449400000000 ] - [ -0.0001305000000000, 0.0000980500000000, -0.0003982400000000 ] - [ -0.0000871800000000, -0.0000684600000000, -0.0002216700000000 ] - [ -0.0000958000000000, 0.0001135000000000, -0.0001397900000000 ] - [ 0.0027641500000000, -0.0007935500000000, -0.0011339300000000 ] - [ 0.0005714100000000, -0.0014780600000000, -0.0008043300000000 ] - [ -0.0001131600000000, 0.0000028200000000, -0.0000662600000000 ] - [ 0.0046376700000000, -0.0040286900000000, -0.0078996200000000 ] - [ -0.0000328000000000, 0.0000649800000000, -0.0002138600000000 ] - [ -0.0006163200000000, -0.0014284900000000, 0.0005442500000000 ] - [ 0.0012677200000000, -0.0000541000000000, -0.0022757500000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000602900000000, -0.0000327000000000, 0.0021133300000000 ] - [ 0.0005913100000000, -0.0009176000000000, 0.0028231300000000 ] - [ 0.0014081900000000, 0.0024390600000000, -0.0107960600000000 ] - [ -0.0000584600000000, 0.0000358600000000, 0.0021133300000000 ] - [ 0.0000074100000000, 0.0000128400000000, 0.0050500700000000 ] - [ -0.0010903200000000, 0.0000532900000000, 0.0028231300000000 ] - [ 0.0000059800000000, 0.0000103500000000, 0.0017016100000000 ] - [ 0.0036180700000000, -0.0001325600000000, 0.0018816400000000 ] - [ -0.0105529900000000, 0.0076557800000000, 0.0005883000000000 ] - [ -0.0017406300000000, -0.0030148600000000, 0.0011323200000000 ] - [ -0.0016286000000000, -0.0003326000000000, -0.0011774400000000 ] - [ 0.0002057500000000, 0.0000649700000000, 0.0023716900000000 ] - [ -0.0000798600000000, -0.0001383200000000, 0.0026969900000000 ] - [ 0.0072989400000000, -0.0011188400000000, -0.0104903400000000 ] - [ -0.0004705600000000, 0.0000213100000000, 0.0020733900000000 ] - [ 0.0001743100000000, 0.0002511800000000, 0.0019103400000000 ] - [ 0.0001927500000000, -0.0119182300000000, 0.0003862500000000 ] - [ 0.0000267000000000, -0.0000436100000000, 0.0018706000000000 ] - [ 0.0003480400000000, -0.0002837800000000, -0.0028310500000000 ] - [ 0.0014644100000000, 0.0025364300000000, -0.2241111200000000 ] - [ 0.0002142800000000, -0.0001930800000000, 0.0024014500000000 ] - [ 0.0104333600000000, 0.0180711000000000, 0.0166318400000000 ] - [ -0.0002743500000000, 0.0000890300000000, 0.0024014500000000 ] - [ 0.0119066000000000, -0.0053112700000000, 0.0005883000000000 ] - [ 0.0004478300000000, 0.0007756700000000, -0.0170788300000000 ] - [ 0.0000175400000000, 0.0000303900000000, 0.0021453000000000 ] - [ 0.0001510400000000, 0.0000002500000000, 0.0021588200000000 ] - [ -0.0001795500000000, -0.0000023400000000, 0.0017462300000000 ] - [ -0.0002892700000000, 0.0013096200000000, -0.0144034500000000 ] - [ 0.0015195300000000, 0.0023631800000000, -0.0008809100000000 ] - [ 0.0000238300000000, 0.0000013800000000, 0.0018889000000000 ] - [ -0.0000546000000000, -0.0003113800000000, -0.0068127700000000 ] - [ 0.0012868100000000, 0.0024975400000000, -0.0008809100000000 ] - [ -0.0004197800000000, 0.0001595200000000, -0.0028310500000000 ] - [ 0.0001224900000000, -0.0000120800000000, 0.0019812400000000 ] - [ -0.0000466100000000, 0.0002106600000000, 0.0023716900000000 ] - [ -0.0000717100000000, 0.0001000400000000, 0.0019812400000000 ] - [ 0.0107965400000000, -0.0193718100000000, 0.0142331300000000 ] - [ -0.0000107200000000, 0.0000213300000000, 0.0018889000000000 ] - [ 0.0002537400000000, -0.0003968600000000, 0.0020733900000000 ] - [ 0.0031870800000000, 0.0007468000000000, 0.0013810300000000 ] - [ -0.0002989800000000, -0.0000053300000000, 0.0019129300000000 ] - [ 0.0003757300000000, 0.0000899600000000, 0.0024102500000000 ] - [ -0.0002423600000000, -0.0002029800000000, -0.0068127700000000 ] - [ 0.0001448700000000, -0.0002615900000000, 0.0019129300000000 ] - [ 0.0000887600000000, 0.0001537300000000, 0.0018330100000000 ] - [ -0.0104178700000000, -0.0057921900000000, 0.0003862500000000 ] - [ -0.0001099600000000, 0.0003703800000000, 0.0024102500000000 ] - [ -0.0221747500000000, -0.0003358200000000, 0.0142331300000000 ] - [ -0.0000753000000000, 0.0001309300000000, 0.0021588200000000 ] - [ 0.0002101200000000, 0.0003639400000000, 0.0131839100000000 ] - [ -0.0001846200000000, -0.0000460300000000, 0.0008950300000000 ] - [ 0.0000331900000000, 0.0000003500000000, 0.0015616500000000 ] - [ 0.0012788000000000, 0.0004043000000000, -0.0144034500000000 ] - [ -0.0003327100000000, -0.0005762700000000, 0.0007014900000000 ] - [ -0.0046184200000000, 0.0057616400000000, -0.0104903400000000 ] - [ 0.0005262600000000, -0.0015767100000000, -0.0011774400000000 ] - [ 0.0000258200000000, 0.0000447200000000, 0.0018699400000000 ] - [ 0.0000971000000000, 0.0001681800000000, 0.0027306700000000 ] - [ 0.0001303800000000, 0.0002765500000000, 0.0019103400000000 ] - [ 0.0013701300000000, -0.0011442200000000, -0.0013675400000000 ] - [ -0.0000511100000000, 0.0000013100000000, 0.0018706000000000 ] - [ 0.0000877500000000, -0.0001566600000000, 0.0017462300000000 ] - [ -0.0000162900000000, 0.0000289200000000, 0.0015616500000000 ] - [ 0.0000524400000000, -0.0001829000000000, 0.0008950300000000 ] - [ -0.0000518000000000, -0.0002899300000000, 0.0023586700000000 ] - [ -0.0002251800000000, -0.0001898300000000, 0.0023586700000000 ] - [ -0.0009467900000000, 0.0031334900000000, 0.0013810300000000 ] - [ -0.0016759900000000, 0.0006144600000000, -0.0013675400000000 ] - [ 0.0000349000000000, 0.0000604400000000, 0.0020276400000000 ] - [ -0.0019238300000000, 0.0030670600000000, 0.0018816400000000 ] - [ -0.0002175900000000, -0.0001481800000000, -0.0016133900000000 ] - [ 0.0000057000000000, -0.0001693800000000, 0.0029764000000000 ] - [ 0.0012192100000000, 0.0004435900000000, 0.0006545700000000 ] - [ -0.0001114400000000, 0.0001901500000000, -0.0016261400000000 ] - [ -0.0001297800000000, -0.0002247800000000, -0.0016274400000000 ] - [ -0.0003000100000000, 0.0004506900000000, 0.0037553100000000 ] - [ -0.0020862600000000, -0.0001924000000000, 0.0012183800000000 ] - [ -0.0000010100000000, -0.0000618600000000, -0.0015008000000000 ] - [ 0.0001413100000000, 0.0002447500000000, -0.0036660600000000 ] - [ -0.0001244200000000, -0.0000157400000000, -0.0012280400000000 ] - [ 0.0000675000000000, -0.0002461200000000, -0.0015976000000000 ] - [ -0.0009757000000000, 0.0005973000000000, 0.0007518000000000 ] - [ 0.0001163700000000, 0.0000458600000000, -0.0018738100000000 ] - [ -0.0065444000000000, 0.0003406000000000, -0.0071480700000000 ] - [ -0.0000705100000000, 0.0038090000000000, 0.0045539300000000 ] - [ -0.0009994500000000, 0.0004558600000000, 0.0005884200000000 ] - [ 0.0013622200000000, 0.0023594400000000, 0.0001631000000000 ] - [ 0.0002204000000000, -0.0000014400000000, -0.0016261400000000 ] - [ 0.0011789500000000, 0.0004807000000000, 0.0004627200000000 ] - [ -0.0021585000000000, -0.0037386400000000, 0.1039538100000000 ] - [ -0.0002468900000000, -0.0000646100000000, -0.0015976000000000 ] - [ -0.0000386500000000, -0.0000009800000000, -0.0012081200000000 ] - [ -0.0006168900000000, -0.0014066800000000, 0.0040627700000000 ] - [ 0.0308029300000000, -0.0024644100000000, 0.0343498100000000 ] - [ -0.0019423100000000, 0.0033943100000000, 0.0051112700000000 ] - [ -0.0175357100000000, 0.0254439100000000, 0.0343498100000000 ] - [ -0.0008126700000000, 0.0001927300000000, -0.0017737400000000 ] - [ -0.0000487300000000, -0.0000844000000000, -0.0014841200000000 ] - [ -0.0000302100000000, 0.0000009200000000, -0.0014688800000000 ] - [ 0.0000485800000000, -0.0001156200000000, -0.0012280400000000 ] - [ -0.0010927200000000, -0.0018926500000000, 0.0041809000000000 ] - [ -0.0001386500000000, 0.0004037700000000, -0.0018203600000000 ] - [ 0.0000159000000000, -0.0000257100000000, -0.0014688800000000 ] - [ -0.0002244100000000, 0.0003156900000000, -0.0016944500000000 ] - [ 0.0000491400000000, 0.0000297300000000, -0.0014985800000000 ] - [ -0.0001864800000000, 0.0000850200000000, -0.0015668100000000 ] - [ 0.0027808300000000, -0.0012810300000000, 0.0038163500000000 ] - [ -0.0041369000000000, 0.0041013200000000, 0.0058032700000000 ] - [ 0.0001704900000000, -0.0001916500000000, -0.0015556600000000 ] - [ -0.0007381500000000, 0.0015852000000000, 0.0004515800000000 ] - [ 0.0003856000000000, -0.0000365000000000, -0.0016944500000000 ] - [ 0.0000184800000000, -0.0000339600000000, -0.0012081200000000 ] - [ -0.0029845900000000, 0.0045729000000000, -0.0047373400000000 ] - [ -0.0001767400000000, -0.0000861400000000, -0.0015593400000000 ] - [ 0.0000334900000000, 0.0000019300000000, -0.0015770200000000 ] - [ -0.0017729000000000, -0.0030707500000000, -0.0031223900000000 ] - [ -0.0008998700000000, 0.0000104500000000, -0.0024347100000000 ] - [ -0.0002363900000000, 0.0002402300000000, -0.0008430400000000 ] - [ -0.0001530200000000, -0.0002143400000000, -0.0001808000000000 ] - [ -0.0001731700000000, 0.0012613500000000, 0.0004627200000000 ] - [ -0.0011123400000000, -0.0005136000000000, 0.0002842000000000 ] - [ 0.0029546200000000, 0.0051175500000000, -0.0069037200000000 ] - [ -0.0024998200000000, 0.0017677500000000, 0.0038163500000000 ] - [ 0.0004589800000000, -0.0007740900000000, -0.0024347100000000 ] - [ 0.0033339500000000, 0.0018434400000000, 0.0045539300000000 ] - [ 0.0001668700000000, -0.0001189900000000, -0.0015668100000000 ] - [ -0.0013475500000000, 0.0068246000000000, 0.0053666400000000 ] - [ -0.0001091100000000, -0.0002396900000000, -0.0001808000000000 ] - [ -0.0002918800000000, 0.0005247900000000, -0.0015766000000000 ] - [ 0.0000161800000000, 0.0000280200000000, -0.0013081100000000 ] - [ 0.0008765100000000, -0.0019029600000000, 0.0012183800000000 ] - [ 0.0005403100000000, -0.0000344800000000, 0.0037553100000000 ] - [ -0.0002512200000000, 0.0000518200000000, -0.0015556600000000 ] - [ -0.0012874900000000, -0.0022299900000000, 0.0001289300000000 ] - [ -0.0000308900000000, -0.0000535100000000, -0.0014342700000000 ] - [ -0.0001495400000000, -0.0000797500000000, 0.0029764000000000 ] - [ 0.0001157000000000, 0.0000607300000000, -0.0012156900000000 ] - [ 0.0000691700000000, 0.0000285700000000, -0.0015097400000000 ] - [ -0.0009097700000000, -0.0012375800000000, 0.0040627700000000 ] - [ -0.0000150700000000, 0.0000299700000000, -0.0015770200000000 ] - [ 0.0000137700000000, -0.0001961300000000, -0.0015593400000000 ] - [ 0.0001113700000000, -0.0012201100000000, 0.0002842000000000 ] - [ 0.0006004200000000, 0.0000096200000000, -0.0015766000000000 ] - [ 0.0002380800000000, -0.0001278500000000, -0.0016176400000000 ] - [ 0.0039107100000000, 0.0000150700000000, 0.0051112700000000 ] - [ 0.0000814800000000, 0.0002390700000000, -0.0015564600000000 ] - [ -0.0070188700000000, -0.0056201600000000, 0.0044478300000000 ] - [ -0.0132670200000000, -0.0229791500000000, 0.0322085200000000 ] - [ -0.0000052500000000, 0.0001305700000000, -0.0012156900000000 ] - [ 0.0000011800000000, 0.0000574200000000, -0.0014985800000000 ] - [ -0.0001678600000000, -0.0002907400000000, -0.0018422700000000 ] - [ -0.0003057100000000, -0.0005295100000000, -0.0010472000000000 ] - [ 0.0003262400000000, -0.0000846000000000, -0.0008430400000000 ] - [ -0.0000098500000000, 0.0000741900000000, -0.0015097400000000 ] - [ 0.0065840500000000, 0.0022452800000000, 0.0053666400000000 ] - [ -0.0001142800000000, -0.0001979500000000, -0.0012227500000000 ] - [ -0.0013577700000000, -0.0088886000000000, 0.0044478300000000 ] - [ -0.0000184700000000, 0.0001237100000000, -0.0018738100000000 ] - [ 0.0054525400000000, -0.0002982800000000, -0.0047373400000000 ] - [ -0.0000195300000000, -0.0002625200000000, -0.0016133900000000 ] - [ 0.0004190000000000, 0.0000818100000000, -0.0018203600000000 ] - [ -0.0000965300000000, -0.0001672000000000, -0.0016602000000000 ] - [ 0.0035671600000000, -0.0054973200000000, -0.0071480700000000 ] - [ 0.0005732400000000, -0.0006074300000000, -0.0017737400000000 ] - [ -0.0002297600000000, 0.0001422600000000, -0.0016176400000000 ] - [ 0.0004373800000000, 0.0007575600000000, -0.0023493300000000 ] - [ 0.0010051200000000, -0.0005463300000000, 0.0007518000000000 ] - [ 0.0008945100000000, -0.0006376100000000, 0.0005884200000000 ] - [ -0.0000530600000000, -0.0000318100000000, -0.0015008000000000 ] - [ 0.0056203000000000, -0.0015320000000000, 0.0058032700000000 ] - [ 0.0001663000000000, 0.0001901000000000, -0.0015564600000000 ] - [ -0.0002254400000000, 0.0012776600000000, 0.0006545700000000 ] - [ 0.0017419000000000, 0.0001533400000000, 0.0004515800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000019900000000, -0.0000670800000000, -0.0021195700000000 ] - [ -0.0005981400000000, 0.0009295600000000, -0.0028341200000000 ] - [ -0.0013568400000000, -0.0023501100000000, 0.0112096600000000 ] - [ -0.0000571000000000, -0.0000352600000000, -0.0021195700000000 ] - [ 0.0000513900000000, 0.0000890100000000, -0.0050564400000000 ] - [ 0.0011040900000000, -0.0000532300000000, -0.0028341200000000 ] - [ -0.0000062600000000, -0.0000108500000000, -0.0021089900000000 ] - [ -0.0036195300000000, 0.0001301400000000, -0.0015467800000000 ] - [ 0.0102781500000000, -0.0073080600000000, -0.0006642600000000 ] - [ 0.0017380800000000, 0.0030104500000000, -0.0019803400000000 ] - [ 0.0017716200000000, 0.0005281700000000, 0.0012568100000000 ] - [ -0.0002242500000000, -0.0000248900000000, -0.0019505000000000 ] - [ 0.0000779300000000, 0.0001349700000000, -0.0018572700000000 ] - [ -0.0073287500000000, 0.0011206300000000, 0.0110484600000000 ] - [ 0.0002226400000000, -0.0000471700000000, -0.0021570700000000 ] - [ -0.0000792600000000, -0.0000251700000000, -0.0019954200000000 ] - [ -0.0003450600000000, 0.0124495300000000, -0.0004592700000000 ] - [ 0.0000411300000000, -0.0000727100000000, -0.0025013700000000 ] - [ -0.0006673100000000, -0.0001315800000000, 0.0026843100000000 ] - [ -0.0013486500000000, -0.0023359300000000, 0.2157118200000000 ] - [ 0.0003071800000000, 0.0002620100000000, -0.0022092500000000 ] - [ -0.0106821600000000, -0.0185020500000000, -0.0165816000000000 ] - [ 0.0000733200000000, 0.0003970300000000, -0.0022092500000000 ] - [ -0.0114680400000000, 0.0052471100000000, -0.0006642600000000 ] - [ -0.0004133000000000, -0.0007158600000000, 0.0176028700000000 ] - [ -0.0002961000000000, -0.0005128600000000, -0.0020511200000000 ] - [ -0.0001578000000000, -0.0000023300000000, -0.0025004100000000 ] - [ 0.0000201100000000, -0.0000032200000000, -0.0024041200000000 ] - [ 0.0001274500000000, -0.0012591600000000, 0.0149467600000000 ] - [ -0.0017544900000000, -0.0023319400000000, 0.0009590700000000 ] - [ -0.0000225000000000, 0.0000026900000000, -0.0025188200000000 ] - [ 0.0001255300000000, 0.0001711900000000, 0.0074500900000000 ] - [ -0.0011422700000000, -0.0026854100000000, 0.0009590700000000 ] - [ 0.0002197100000000, -0.0006437000000000, 0.0026843100000000 ] - [ 0.0004362600000000, 0.0000113800000000, -0.0018849600000000 ] - [ 0.0000905800000000, -0.0002066500000000, -0.0019505000000000 ] - [ -0.0002082700000000, 0.0003835000000000, -0.0018849600000000 ] - [ -0.0106762700000000, 0.0190953100000000, -0.0140304500000000 ] - [ 0.0000135800000000, -0.0000181400000000, -0.0025188200000000 ] - [ -0.0001521700000000, 0.0001692200000000, -0.0021570700000000 ] - [ -0.0032433200000000, -0.0007083500000000, -0.0017962500000000 ] - [ 0.0000607900000000, 0.0000275600000000, -0.0019968300000000 ] - [ 0.0001432500000000, -0.0001608700000000, -0.0022179000000000 ] - [ 0.0000854900000000, 0.0001943100000000, 0.0074500900000000 ] - [ -0.0000065300000000, 0.0000664300000000, -0.0019968300000000 ] - [ -0.0000105800000000, -0.0000183200000000, -0.0024897600000000 ] - [ 0.0109541400000000, 0.0059259400000000, -0.0004592700000000 ] - [ -0.0002109500000000, 0.0000436200000000, -0.0022179000000000 ] - [ 0.0218751600000000, 0.0003017300000000, -0.0140304500000000 ] - [ 0.0000768800000000, -0.0001378200000000, -0.0025004100000000 ] - [ -0.0001171000000000, -0.0002028300000000, -0.0127784800000000 ] - [ -0.0000059500000000, 0.0000452400000000, -0.0003146400000000 ] - [ 0.0000622500000000, -0.0001652300000000, -0.0021288000000000 ] - [ -0.0011541900000000, -0.0005192100000000, 0.0149467600000000 ] - [ 0.0003117200000000, 0.0005399200000000, -0.0011120100000000 ] - [ 0.0046348700000000, -0.0057865700000000, 0.0110484600000000 ] - [ -0.0004284000000000, 0.0017983600000000, 0.0012568100000000 ] - [ 0.0000414400000000, 0.0000717800000000, -0.0025005300000000 ] - [ -0.0000030100000000, -0.0000052100000000, -0.0033130700000000 ] - [ 0.0000178400000000, -0.0000812300000000, -0.0019954200000000 ] - [ -0.0008097800000000, 0.0011395900000000, 0.0012641300000000 ] - [ -0.0000835300000000, -0.0000007400000000, -0.0025013700000000 ] - [ -0.0000128500000000, 0.0000158100000000, -0.0024041200000000 ] - [ -0.0001742200000000, -0.0000287100000000, -0.0021288000000000 ] - [ 0.0000421500000000, 0.0000174700000000, -0.0003146400000000 ] - [ -0.0002683500000000, -0.0001271900000000, -0.0021673000000000 ] - [ 0.0000240300000000, -0.0002959900000000, -0.0021673000000000 ] - [ 0.0010082100000000, -0.0031629700000000, -0.0017962500000000 ] - [ 0.0013918000000000, -0.0001314900000000, 0.0012641300000000 ] - [ -0.0000555600000000, -0.0000962300000000, -0.0016042000000000 ] - [ 0.0019224700000000, -0.0030695400000000, -0.0015467800000000 ] - [ 0.0000023000000000, 0.0002606700000000, 0.0012043600000000 ] - [ 0.0000571100000000, 0.0000592400000000, -0.0038332500000000 ] - [ -0.0010726500000000, -0.0006237500000000, -0.0005471200000000 ] - [ -0.0000358200000000, 0.0000656800000000, 0.0013647200000000 ] - [ 0.0001111300000000, 0.0001924800000000, 0.0010916200000000 ] - [ 0.0003997800000000, -0.0006374400000000, -0.0036763600000000 ] - [ 0.0020836800000000, 0.0002232300000000, -0.0007105400000000 ] - [ 0.0001109300000000, -0.0001178300000000, 0.0014360700000000 ] - [ 0.0000758800000000, 0.0001314300000000, 0.0036913100000000 ] - [ -0.0003243300000000, 0.0000136900000000, 0.0012235700000000 ] - [ 0.0000474600000000, 0.0002435600000000, 0.0012315200000000 ] - [ 0.0010592800000000, -0.0008318700000000, -0.0006454600000000 ] - [ 0.0000829700000000, 0.0000913600000000, 0.0014586100000000 ] - [ 0.0065784100000000, -0.0000988800000000, 0.0075667100000000 ] - [ 0.0000061800000000, -0.0036694000000000, -0.0041832800000000 ] - [ 0.0007839000000000, -0.0005625000000000, -0.0001680600000000 ] - [ -0.0013809400000000, -0.0023918500000000, 0.0003293000000000 ] - [ 0.0000747900000000, 0.0000018200000000, 0.0013647200000000 ] - [ -0.0004822800000000, -0.0004754500000000, -0.0000921200000000 ] - [ 0.0020131500000000, 0.0034868900000000, -0.0969851600000000 ] - [ 0.0001872000000000, 0.0001628800000000, 0.0012315200000000 ] - [ -0.0000890500000000, -0.0000015500000000, 0.0020807100000000 ] - [ 0.0005466100000000, 0.0012965100000000, -0.0036982300000000 ] - [ -0.0310242300000000, 0.0024434400000000, -0.0336580400000000 ] - [ 0.0019306900000000, -0.0033687400000000, -0.0054737200000000 ] - [ 0.0176282000000000, -0.0256460500000000, -0.0336580400000000 ] - [ 0.0004975300000000, 0.0003748900000000, 0.0017742400000000 ] - [ 0.0000791500000000, 0.0001370900000000, 0.0015719900000000 ] - [ -0.0001828800000000, -0.0000057200000000, 0.0014042800000000 ] - [ 0.0001740300000000, -0.0002740300000000, 0.0012235700000000 ] - [ 0.0011192900000000, 0.0019386600000000, -0.0042493100000000 ] - [ 0.0003013100000000, -0.0002271100000000, 0.0016967600000000 ] - [ 0.0000864800000000, -0.0001612400000000, 0.0014042800000000 ] - [ 0.0002084000000000, -0.0002873300000000, 0.0011581400000000 ] - [ 0.0000600700000000, 0.0001478000000000, 0.0014324600000000 ] - [ -0.0000446600000000, -0.0001326500000000, 0.0014417900000000 ] - [ -0.0024487200000000, 0.0012601100000000, -0.0035608200000000 ] - [ 0.0042195100000000, -0.0039024900000000, -0.0057063600000000 ] - [ -0.0002193700000000, 0.0000915100000000, 0.0011899800000000 ] - [ 0.0009969100000000, -0.0015844500000000, -0.0004356900000000 ] - [ -0.0003530400000000, 0.0000368100000000, 0.0011581400000000 ] - [ 0.0000431800000000, -0.0000778900000000, 0.0020807100000000 ] - [ 0.0031907800000000, -0.0044783100000000, 0.0049001800000000 ] - [ -0.0000546500000000, 0.0001342400000000, 0.0014320100000000 ] - [ -0.0000346100000000, -0.0000002000000000, 0.0019016000000000 ] - [ 0.0013912100000000, 0.0024096500000000, 0.0028251800000000 ] - [ 0.0008992700000000, -0.0000113800000000, 0.0024395100000000 ] - [ -0.0001727400000000, 0.0004553000000000, 0.0011606400000000 ] - [ -0.0002557300000000, 0.0009156000000000, -0.0001452000000000 ] - [ -0.0001706100000000, -0.0006554000000000, -0.0000921200000000 ] - [ 0.0013164400000000, 0.0003834300000000, 0.0001325600000000 ] - [ -0.0033123300000000, -0.0057371200000000, 0.0072790100000000 ] - [ 0.0023156400000000, -0.0014906000000000, -0.0035608200000000 ] - [ -0.0004594900000000, 0.0007731100000000, 0.0024395100000000 ] - [ -0.0031808800000000, -0.0018293500000000, -0.0041832800000000 ] - [ -0.0000925400000000, -0.0001050000000000, 0.0014417900000000 ] - [ 0.0012800700000000, -0.0067926300000000, -0.0054257100000000 ] - [ 0.0009207900000000, 0.0002363300000000, -0.0001452000000000 ] - [ -0.0000519200000000, 0.0000812300000000, 0.0012123200000000 ] - [ 0.0000442200000000, 0.0000765900000000, 0.0021803100000000 ] - [ -0.0008485200000000, 0.0019161300000000, -0.0007105400000000 ] - [ -0.0007519300000000, 0.0000275000000000, -0.0036763600000000 ] - [ 0.0001889400000000, -0.0001442300000000, 0.0011899800000000 ] - [ 0.0011535800000000, 0.0019980600000000, -0.0001129200000000 ] - [ -0.0002896500000000, -0.0005016900000000, 0.0014285500000000 ] - [ 0.0000227500000000, 0.0000790800000000, -0.0038332500000000 ] - [ 0.0001422200000000, -0.0000623600000000, 0.0012050900000000 ] - [ -0.0001266700000000, -0.0000274500000000, 0.0015966800000000 ] - [ 0.0008495100000000, 0.0011216300000000, -0.0036982300000000 ] - [ 0.0000171300000000, -0.0000300700000000, 0.0019016000000000 ] - [ 0.0001435800000000, 0.0000197900000000, 0.0014320100000000 ] - [ -0.0003261600000000, 0.0013317900000000, 0.0001325600000000 ] - [ 0.0000963100000000, -0.0000043400000000, 0.0012123200000000 ] - [ -0.0002235100000000, -0.0001127500000000, 0.0012050600000000 ] - [ -0.0038827600000000, -0.0000123400000000, -0.0054737200000000 ] - [ 0.0000344500000000, -0.0002365400000000, 0.0011879600000000 ] - [ 0.0070893200000000, 0.0054139200000000, -0.0043530700000000 ] - [ 0.0134544400000000, 0.0233037700000000, -0.0318308600000000 ] - [ -0.0001251100000000, 0.0000919800000000, 0.0012050900000000 ] - [ 0.0000979600000000, 0.0001259200000000, 0.0014324600000000 ] - [ -0.0001790400000000, -0.0003101100000000, 0.0014797400000000 ] - [ -0.0000963500000000, -0.0001668800000000, 0.0013697700000000 ] - [ 0.0004806700000000, 0.0000780500000000, 0.0011606400000000 ] - [ 0.0000395600000000, -0.0001234300000000, 0.0015966800000000 ] - [ -0.0065226300000000, -0.0022877400000000, -0.0054257100000000 ] - [ -0.0000163500000000, -0.0000283200000000, 0.0012134700000000 ] - [ 0.0011439400000000, 0.0088465000000000, -0.0043530700000000 ] - [ 0.0000376400000000, 0.0001175400000000, 0.0014586100000000 ] - [ -0.0054737200000000, 0.0005241400000000, 0.0049001800000000 ] - [ 0.0002246000000000, 0.0001323300000000, 0.0012043600000000 ] - [ -0.0003473400000000, 0.0001473900000000, 0.0016967600000000 ] - [ -0.0000512300000000, -0.0000887400000000, 0.0013995400000000 ] - [ -0.0033748300000000, 0.0056476300000000, 0.0075667100000000 ] - [ 0.0000759000000000, 0.0006183200000000, 0.0017742400000000 ] - [ 0.0000141100000000, -0.0002499400000000, 0.0012050600000000 ] - [ -0.0004390100000000, -0.0007603900000000, 0.0023557900000000 ] - [ -0.0012500600000000, 0.0005014200000000, -0.0006454600000000 ] - [ -0.0008790900000000, 0.0003976300000000, -0.0001680600000000 ] - [ -0.0001575000000000, 0.0000371500000000, 0.0014360700000000 ] - [ -0.0054894100000000, 0.0017029600000000, -0.0057063600000000 ] - [ -0.0002220800000000, -0.0000884300000000, 0.0011879600000000 ] - [ -0.0000038500000000, -0.0012408200000000, -0.0005471200000000 ] - [ -0.0018706300000000, 0.0000711200000000, -0.0004356900000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031538200000000, 0.0008691600000000, 0.0018091000000000 ] - [ 0.0000047900000000, -0.0000109100000000, 0.0000410200000000 ] - [ 0.0006552500000000, 0.0029586700000000, 0.0002570200000000 ] - [ -0.0007628900000000, -0.0008525400000000, 0.0005125200000000 ] - [ -0.0062700000000000, 0.0037766200000000, -0.0051487000000000 ] - [ -0.0000276700000000, -0.0000456400000000, -0.0003097600000000 ] - [ 0.0000083800000000, 0.0000324600000000, -0.0002883200000000 ] - [ 0.0145262300000000, -0.0104624800000000, 0.0106964900000000 ] - [ -0.0018254400000000, -0.0013809600000000, -0.0006159900000000 ] - [ 0.0023902700000000, 0.0052555100000000, -0.0003950000000000 ] - [ 0.0033041900000000, 0.0009919100000000, -0.0000391200000000 ] - [ -0.0000063900000000, 0.0000391800000000, 0.0001517200000000 ] - [ 0.0001247700000000, 0.0004697800000000, 0.0006068900000000 ] - [ 0.0117525800000000, -0.0160217100000000, -0.0095928500000000 ] - [ 0.0001008200000000, 0.0001854100000000, -0.0004664400000000 ] - [ 0.0003458900000000, -0.0000209200000000, -0.0001530000000000 ] - [ -0.0013173400000000, 0.0008138500000000, 0.0010359300000000 ] - [ 0.0001192400000000, -0.0000339000000000, -0.0004366100000000 ] - [ 0.0004766100000000, -0.0010992500000000, 0.0003010400000000 ] - [ -0.0050627400000000, -0.0002741000000000, 0.0109071000000000 ] - [ 0.0002419900000000, 0.0000411700000000, -0.0000083700000000 ] - [ -0.2124498900000000, -0.0346911900000000, -0.0034891300000000 ] - [ -0.0001163400000000, 0.0002383000000000, -0.0000087700000000 ] - [ 0.0013516400000000, -0.0002615700000000, 0.0014173200000000 ] - [ -0.0178129900000000, 0.0138800700000000, -0.0108977800000000 ] - [ -0.0007148200000000, -0.0003885000000000, -0.0001479000000000 ] - [ -0.0003864500000000, -0.0001402600000000, 0.0023452300000000 ] - [ -0.0000818600000000, -0.0000068800000000, -0.0004154200000000 ] - [ -0.0016390600000000, -0.0013579500000000, -0.0001245300000000 ] - [ 0.0302470800000000, 0.0276507200000000, 0.0026735300000000 ] - [ -0.0000343800000000, -0.0000291600000000, -0.0003203200000000 ] - [ 0.0050486100000000, 0.0007869700000000, -0.0012135600000000 ] - [ -0.0167105200000000, 0.0007117600000000, -0.0076562100000000 ] - [ 0.0020658500000000, -0.0004311100000000, -0.0008918500000000 ] - [ 0.0002442400000000, -0.0004944700000000, -0.0000220700000000 ] - [ 0.0000287800000000, 0.0000200100000000, 0.0001218200000000 ] - [ 0.0004318700000000, 0.0003849500000000, 0.0000112600000000 ] - [ -0.0168840400000000, -0.0007589800000000, -0.0085924800000000 ] - [ -0.0000036900000000, -0.0000312500000000, -0.0005427100000000 ] - [ -0.0001974000000000, -0.0000742100000000, -0.0002549100000000 ] - [ 0.0000726800000000, 0.0001796700000000, -0.0000931800000000 ] - [ -0.0001641000000000, 0.0001806900000000, 0.0002510300000000 ] - [ 0.0002765800000000, -0.0000449500000000, -0.0000128700000000 ] - [ 0.0002798400000000, -0.0018854700000000, 0.0007719800000000 ] - [ -0.0003335000000000, -0.0000420300000000, -0.0001253400000000 ] - [ 0.0000108400000000, 0.0000615800000000, -0.0004830500000000 ] - [ -0.0015754800000000, -0.0001081800000000, -0.0031543600000000 ] - [ -0.0001780700000000, 0.0001880700000000, -0.0000126600000000 ] - [ 0.0303054700000000, 0.0275544900000000, 0.0056238900000000 ] - [ -0.0000288900000000, -0.0000674300000000, -0.0033278000000000 ] - [ -0.0003714700000000, 0.0001210600000000, 0.0003619100000000 ] - [ -0.0000429700000000, -0.0003984900000000, 0.0002680900000000 ] - [ 0.0000643300000000, -0.0000756400000000, -0.0004212800000000 ] - [ 0.0051495000000000, 0.0022350000000000, 0.0019466600000000 ] - [ -0.0002159800000000, 0.0002504600000000, -0.0005201300000000 ] - [ 0.0103447100000000, -0.0080349800000000, 0.0104730400000000 ] - [ 0.0030211500000000, -0.0002986600000000, 0.0001635400000000 ] - [ -0.0000421600000000, 0.0000572700000000, -0.0003786500000000 ] - [ 0.0000278900000000, 0.0000871400000000, -0.0003717900000000 ] - [ 0.0003862900000000, 0.0001597500000000, 0.0000245700000000 ] - [ 0.0026570100000000, -0.0058749500000000, 0.0005748900000000 ] - [ -0.0000653700000000, -0.0000412300000000, -0.0004246500000000 ] - [ 0.0000620200000000, -0.0000627600000000, -0.0003949900000000 ] - [ -0.0000973800000000, -0.0000058400000000, -0.0003843400000000 ] - [ 0.0006484500000000, 0.0001057100000000, -0.0000806000000000 ] - [ -0.0001567200000000, -0.0002138900000000, -0.0000104300000000 ] - [ -0.0000725600000000, -0.0002491000000000, -0.0000082800000000 ] - [ 0.0001397000000000, 0.0001984600000000, -0.0002226900000000 ] - [ 0.0126351700000000, 0.0001229300000000, -0.0008623000000000 ] - [ -0.0000164900000000, -0.0000044700000000, 0.0000843600000000 ] - [ 0.0136615100000000, -0.0199346700000000, -0.0103010400000000 ] - [ 0.0003462500000000, 0.0006705500000000, 0.0005277900000000 ] - [ -0.0060959100000000, -0.0022414300000000, -0.0002421800000000 ] - [ -0.0004849700000000, -0.0001132600000000, 0.0009958200000000 ] - [ -0.0001011400000000, 0.0001224100000000, -0.0000630800000000 ] - [ 0.0000106300000000, 0.0000003800000000, -0.0001938100000000 ] - [ -0.0019604300000000, 0.0031037900000000, -0.0001183000000000 ] - [ -0.0005518000000000, -0.0000398200000000, -0.0000328700000000 ] - [ 0.0001317400000000, -0.0000410000000000, -0.0000644800000000 ] - [ 0.0002057400000000, 0.0001616500000000, 0.0000636200000000 ] - [ -0.0002263500000000, 0.0001005500000000, 0.0000975100000000 ] - [ 0.0000531300000000, 0.0000023800000000, -0.0000986300000000 ] - [ -0.0004725900000000, -0.0001158600000000, -0.0002833800000000 ] - [ 0.0003607600000000, -0.0002906700000000, 0.0006416500000000 ] - [ 0.0301696900000000, -0.0113369700000000, 0.0117229200000000 ] - [ 0.0019981000000000, 0.0013844200000000, -0.0018188600000000 ] - [ -0.0029347400000000, 0.0029489000000000, 0.0003216400000000 ] - [ 0.0006887200000000, -0.0002192100000000, 0.0005461500000000 ] - [ 0.0001491400000000, 0.0000131200000000, -0.0000586300000000 ] - [ 0.0004736400000000, -0.0043959100000000, 0.0001786600000000 ] - [ 0.0226478000000000, 0.0010889000000000, -0.0000685800000000 ] - [ -0.0000022400000000, 0.0000445200000000, -0.0001115400000000 ] - [ -0.0000437500000000, 0.0001587100000000, 0.0004942500000000 ] - [ -0.0010247900000000, 0.0004103700000000, 0.0000803200000000 ] - [ -0.0013523000000000, -0.0003358300000000, -0.0026050500000000 ] - [ -0.0006059000000000, 0.0006323200000000, -0.0026107000000000 ] - [ 0.0025768100000000, -0.0011250700000000, -0.0019684300000000 ] - [ -0.0001842800000000, 0.0002693200000000, 0.0000073200000000 ] - [ 0.0000413400000000, -0.0000016000000000, 0.0000054500000000 ] - [ -0.0002373200000000, 0.0000106400000000, -0.0000558000000000 ] - [ -0.0000121600000000, -0.0002392400000000, 0.0001667600000000 ] - [ 0.0033946200000000, -0.0073095300000000, 0.0042930300000000 ] - [ 0.0000957000000000, 0.0000769500000000, -0.0000012300000000 ] - [ 0.0000226400000000, -0.0000440500000000, 0.0001066000000000 ] - [ -0.0000139800000000, 0.0000034100000000, -0.0002123300000000 ] - [ -0.0000270600000000, 0.0000665100000000, 0.0001502200000000 ] - [ -0.0001184200000000, -0.0000191200000000, 0.0000171300000000 ] - [ 0.0001356600000000, 0.0009929300000000, 0.0003916100000000 ] - [ 0.0016325800000000, 0.0063785300000000, 0.0017644500000000 ] - [ -0.0000472800000000, -0.0000371300000000, -0.0001209600000000 ] - [ 0.0003749400000000, 0.0042590100000000, 0.0004520300000000 ] - [ 0.0000020400000000, 0.0000024200000000, -0.0002042300000000 ] - [ -0.0001481200000000, -0.0001203300000000, 0.0004508900000000 ] - [ 0.0006119300000000, 0.0001102200000000, -0.0003028500000000 ] - [ -0.0001022700000000, 0.0000456400000000, 0.0000022700000000 ] - [ 0.0000008400000000, 0.0000087800000000, 0.0002251600000000 ] - [ -0.0001250500000000, -0.0004877500000000, -0.0002564800000000 ] - [ -0.0013745400000000, 0.0010072400000000, -0.0041240800000000 ] - [ -0.0002119000000000, 0.0003335000000000, 0.0002192800000000 ] - [ -0.0003580700000000, 0.0001007700000000, 0.0001016300000000 ] - [ -0.0030040700000000, -0.0026507800000000, -0.0003754300000000 ] - [ -0.0101182200000000, -0.0003424700000000, -0.0027859300000000 ] - [ 0.0020920400000000, -0.0076874900000000, 0.0028817500000000 ] - [ -0.0024679500000000, 0.0002498100000000, -0.0003698100000000 ] - [ -0.0016159300000000, 0.0037350900000000, 0.0063134500000000 ] - [ -0.0016881600000000, -0.0027924900000000, 0.0052943800000000 ] - [ 0.0000042900000000, -0.0001140700000000, 0.0000110700000000 ] - [ 0.0008151800000000, -0.0029355200000000, 0.0001722000000000 ] - [ 0.0004224300000000, -0.0000210200000000, -0.0001916800000000 ] - [ -0.0002211700000000, 0.0001045800000000, -0.0003898900000000 ] - [ 0.0001644500000000, -0.0000130100000000, 0.0006393900000000 ] - [ 0.0000878400000000, -0.0000673100000000, 0.0001109400000000 ] - [ -0.0076584800000000, 0.0021066800000000, -0.0003154100000000 ] - [ -0.0000385800000000, -0.0000595800000000, -0.0001183200000000 ] - [ 0.0372913700000000, 0.0204762300000000, 0.0163007300000000 ] - [ -0.0001271600000000, -0.0003110000000000, 0.0001492600000000 ] - [ 0.0002938200000000, 0.0026506700000000, -0.0002621100000000 ] - [ 0.0001406600000000, 0.0001537800000000, 0.0000385400000000 ] - [ -0.0000352700000000, -0.0000510200000000, 0.0001172400000000 ] - [ -0.0011381900000000, -0.0005956500000000, 0.0001585100000000 ] - [ 0.0000038100000000, 0.0000061800000000, 0.0002596400000000 ] - [ 0.0000761800000000, -0.0000811300000000, 0.0000228600000000 ] - [ 0.0028296400000000, 0.0067560400000000, 0.0011644900000000 ] - [ 0.0003393800000000, -0.0000691900000000, -0.0002282900000000 ] - [ -0.0008911800000000, -0.0001234800000000, 0.0003803600000000 ] - [ -0.0011138500000000, 0.0024626400000000, 0.0045050300000000 ] - [ 0.0000539600000000, -0.0000110100000000, -0.0001358300000000 ] - [ 0.0159688200000000, -0.0014193400000000, 0.0027891800000000 ] - [ 0.0054225200000000, -0.0004251200000000, 0.0008076700000000 ] - [ -0.0004280300000000, -0.0000176900000000, 0.0001635700000000 ] - [ 0.0001169500000000, 0.0001211500000000, -0.0000107700000000 ] - [ -0.0004319700000000, -0.0006187700000000, 0.0002190400000000 ] - [ -0.0001952400000000, -0.0003564700000000, 0.0002004900000000 ] - [ 0.0004030800000000, -0.0000236300000000, 0.0002081700000000 ] - [ -0.0000513100000000, -0.0000665100000000, 0.0001699700000000 ] - [ -0.0030480000000000, -0.0023953100000000, -0.0008877600000000 ] - [ 0.0002908300000000, -0.0001201000000000, -0.0002817500000000 ] - [ 0.0227013400000000, 0.0031439600000000, -0.0001401100000000 ] - [ 0.0009907200000000, 0.0002589000000000, -0.0001539500000000 ] - [ 0.0006890200000000, 0.0002653100000000, 0.0004529000000000 ] - [ -0.0001482300000000, -0.0003554200000000, -0.0009017200000000 ] - [ 0.0000477700000000, 0.0001150300000000, 0.0000159500000000 ] - [ -0.0000447900000000, -0.0001220300000000, -0.0000562600000000 ] - [ 0.0503643900000000, 0.0014082100000000, -0.0183545800000000 ] - [ 0.0003057300000000, -0.0000298900000000, 0.0000608500000000 ] - [ -0.0003132400000000, 0.0003916400000000, -0.0008248900000000 ] - [ -0.0005019100000000, -0.0014142100000000, -0.0000248500000000 ] - [ -0.0004496800000000, 0.0006275600000000, 0.0007654700000000 ] - [ -0.0077757900000000, 0.0029450500000000, -0.0005412500000000 ] - [ 0.0000505400000000, 0.0000381900000000, 0.0000867800000000 ] - [ -0.0085047400000000, -0.0006699700000000, -0.0042850100000000 ] - [ -0.0000211200000000, 0.0000555700000000, -0.0001276100000000 ] - [ -0.0000015600000000, 0.0003441100000000, -0.0003187800000000 ] - [ -0.0079410300000000, -0.0028488600000000, -0.0005952700000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030983200000000, -0.0009618700000000, -0.0017893300000000 ] - [ -0.0000042800000000, 0.0000109200000000, -0.0000409100000000 ] - [ -0.0006512900000000, -0.0029524500000000, 0.0001450500000000 ] - [ 0.0006503900000000, 0.0008496000000000, -0.0005100300000000 ] - [ 0.0063588000000000, -0.0036583800000000, 0.0051132700000000 ] - [ 0.0000271500000000, 0.0000458000000000, 0.0003092400000000 ] - [ -0.0000083300000000, -0.0000323700000000, -0.0001157900000000 ] - [ -0.0145294800000000, 0.0103175700000000, -0.0102433600000000 ] - [ 0.0015008800000000, 0.0017946200000000, 0.0004177300000000 ] - [ -0.0024074400000000, -0.0052712900000000, -0.0004408700000000 ] - [ -0.0031573300000000, -0.0008174800000000, 0.0001201300000000 ] - [ -0.0000103100000000, 0.0000029900000000, 0.0002754400000000 ] - [ -0.0001268600000000, -0.0004713700000000, 0.0002365500000000 ] - [ -0.0116954700000000, 0.0159892300000000, 0.0101346900000000 ] - [ -0.0003481900000000, -0.0002114300000000, 0.0003854300000000 ] - [ -0.0002501100000000, 0.0002488400000000, 0.0000729000000000 ] - [ 0.0011163200000000, -0.0003271200000000, -0.0012266200000000 ] - [ -0.0000509500000000, -0.0000828400000000, -0.0001901500000000 ] - [ -0.0007933100000000, 0.0006799700000000, -0.0004976400000000 ] - [ 0.0051485300000000, 0.0004154000000000, -0.0102083100000000 ] - [ 0.0002786900000000, 0.0000261500000000, 0.0002060200000000 ] - [ 0.2144111700000000, 0.0341493200000000, 0.0016951300000000 ] - [ -0.0000857200000000, 0.0002463700000000, 0.0002064400000000 ] - [ -0.0008253600000000, 0.0001933100000000, -0.0016171400000000 ] - [ 0.0177810400000000, -0.0137591100000000, 0.0115369000000000 ] - [ 0.0004366400000000, -0.0000935900000000, 0.0002439600000000 ] - [ 0.0003784500000000, 0.0001383200000000, -0.0026846600000000 ] - [ -0.0000774000000000, 0.0000013100000000, -0.0002384700000000 ] - [ 0.0014979100000000, 0.0013610000000000, 0.0007462600000000 ] - [ -0.0301571300000000, -0.0272206400000000, -0.0025862400000000 ] - [ 0.0000352600000000, 0.0000331700000000, -0.0003053500000000 ] - [ -0.0049811800000000, -0.0009271800000000, 0.0018544800000000 ] - [ 0.0168509100000000, -0.0010535500000000, 0.0077363000000000 ] - [ -0.0022673100000000, -0.0000573600000000, 0.0006905400000000 ] - [ 0.0003141000000000, 0.0004941800000000, 0.0001215400000000 ] - [ 0.0000159900000000, -0.0000133100000000, 0.0003055000000000 ] - [ -0.0007119500000000, 0.0000970200000000, 0.0000894200000000 ] - [ 0.0169932500000000, 0.0006793300000000, 0.0086800300000000 ] - [ 0.0000069600000000, 0.0000343400000000, -0.0000827100000000 ] - [ 0.0002989500000000, -0.0001530700000000, 0.0001736600000000 ] - [ -0.0000888100000000, -0.0001377200000000, -0.0003348100000000 ] - [ -0.0000766300000000, -0.0001592400000000, -0.0003311900000000 ] - [ 0.0002438300000000, -0.0000258300000000, 0.0002109100000000 ] - [ -0.0004398600000000, 0.0018648600000000, -0.0001158100000000 ] - [ 0.0004724600000000, -0.0001546900000000, 0.0000444300000000 ] - [ 0.0000672900000000, 0.0000736500000000, -0.0001694000000000 ] - [ 0.0020906700000000, 0.0001772300000000, 0.0029543100000000 ] - [ -0.0001433600000000, 0.0002272900000000, 0.0002105900000000 ] - [ -0.0308805300000000, -0.0279243100000000, -0.0055579700000000 ] - [ 0.0000339900000000, 0.0000597000000000, 0.0029950400000000 ] - [ 0.0004666500000000, 0.0000440100000000, 0.0002054400000000 ] - [ -0.0001482600000000, 0.0003974700000000, 0.0002985600000000 ] - [ 0.0000318200000000, -0.0000894800000000, -0.0001455000000000 ] - [ -0.0050786300000000, -0.0023760900000000, -0.0013468800000000 ] - [ 0.0001950700000000, -0.0002856200000000, 0.0000960600000000 ] - [ -0.0103177100000000, 0.0081265200000000, -0.0099313300000000 ] - [ -0.0029207300000000, 0.0005492200000000, -0.0000850800000000 ] - [ 0.0001093800000000, 0.0000592300000000, -0.0002482000000000 ] - [ 0.0000675200000000, 0.0000782100000000, -0.0001950400000000 ] - [ -0.0002380400000000, 0.0000359700000000, -0.0001060500000000 ] - [ -0.0021059200000000, 0.0058796800000000, -0.0006776800000000 ] - [ -0.0000697400000000, 0.0000422000000000, -0.0002021600000000 ] - [ 0.0000128000000000, -0.0000779600000000, -0.0002586100000000 ] - [ -0.0000937500000000, 0.0000064500000000, -0.0001822800000000 ] - [ -0.0005520600000000, -0.0002702400000000, 0.0006459800000000 ] - [ -0.0001631400000000, -0.0002035100000000, 0.0002069100000000 ] - [ -0.0001289400000000, -0.0002366900000000, 0.0002047100000000 ] - [ -0.0000945200000000, -0.0001912500000000, -0.0002049300000000 ] - [ -0.0128954200000000, 0.0003583000000000, 0.0007507900000000 ] - [ -0.0000043600000000, -0.0000314800000000, 0.0003400000000000 ] - [ -0.0137500000000000, 0.0199739800000000, 0.0107499700000000 ] - [ -0.0005621500000000, -0.0005579300000000, -0.0009402700000000 ] - [ 0.0061567200000000, 0.0021187500000000, -0.0006112100000000 ] - [ 0.0006439600000000, -0.0000626600000000, -0.0008635600000000 ] - [ -0.0000461600000000, 0.0001333700000000, -0.0002013600000000 ] - [ -0.0000288300000000, -0.0000319400000000, -0.0003436100000000 ] - [ 0.0020477000000000, -0.0032939900000000, 0.0001926100000000 ] - [ 0.0005328200000000, 0.0000728900000000, 0.0005734200000000 ] - [ -0.0000212100000000, -0.0001388200000000, -0.0000024500000000 ] - [ 0.0000113200000000, 0.0002142600000000, -0.0000637200000000 ] - [ -0.0002205500000000, -0.0001029100000000, -0.0000965300000000 ] - [ 0.0000620100000000, -0.0000058700000000, -0.0002706800000000 ] - [ 0.0005447000000000, -0.0001114800000000, 0.0004108500000000 ] - [ -0.0001626800000000, 0.0004296700000000, -0.0010590000000000 ] - [ -0.0299697200000000, 0.0110295500000000, -0.0109105700000000 ] - [ -0.0020442000000000, -0.0012749800000000, 0.0021792700000000 ] - [ 0.0027356300000000, -0.0030509800000000, 0.0000885700000000 ] - [ -0.0007026200000000, 0.0001925800000000, -0.0000109600000000 ] - [ 0.0001459800000000, -0.0000128000000000, -0.0002058300000000 ] - [ 0.0002218700000000, 0.0044246100000000, 0.0001831700000000 ] - [ -0.0227868200000000, -0.0012788500000000, -0.0010394300000000 ] - [ -0.0000584900000000, 0.0000535000000000, -0.0002578000000000 ] - [ -0.0000838800000000, -0.0001612500000000, 0.0003755800000000 ] - [ 0.0009761800000000, -0.0005065300000000, 0.0002919900000000 ] - [ 0.0014515800000000, 0.0003398800000000, 0.0029723300000000 ] - [ 0.0005940800000000, -0.0006362300000000, 0.0022803100000000 ] - [ -0.0026290200000000, 0.0012183300000000, 0.0023341500000000 ] - [ -0.0001387000000000, 0.0002964400000000, -0.0000079700000000 ] - [ -0.0000109100000000, 0.0000538200000000, 0.0000801300000000 ] - [ 0.0000243100000000, -0.0000154000000000, -0.0000115500000000 ] - [ 0.0002333000000000, -0.0001492700000000, -0.0001655700000000 ] - [ -0.0033454100000000, 0.0073371000000000, -0.0043893100000000 ] - [ 0.0000653100000000, 0.0001016000000000, -0.0001280300000000 ] - [ 0.0000794400000000, -0.0001432700000000, -0.0001740600000000 ] - [ -0.0000029000000000, 0.0000254200000000, -0.0003267800000000 ] - [ 0.0001359700000000, 0.0001112000000000, -0.0002191200000000 ] - [ -0.0001123600000000, -0.0000291000000000, -0.0001446500000000 ] - [ 0.0001591600000000, -0.0009911900000000, -0.0001260000000000 ] - [ -0.0015210000000000, -0.0061793500000000, -0.0017020400000000 ] - [ -0.0000010100000000, -0.0000638300000000, -0.0002475000000000 ] - [ -0.0001137500000000, -0.0042837000000000, -0.0004434700000000 ] - [ 0.0000314600000000, -0.0000026600000000, -0.0003348900000000 ] - [ 0.0002099600000000, 0.0000087000000000, 0.0004183800000000 ] - [ -0.0004537700000000, 0.0000658200000000, 0.0004316800000000 ] - [ -0.0001286000000000, 0.0000030400000000, -0.0001319900000000 ] - [ -0.0000014900000000, -0.0000070200000000, 0.0000956500000000 ] - [ -0.0002794900000000, -0.0002126500000000, -0.0000630700000000 ] - [ 0.0013930800000000, -0.0009968500000000, 0.0041268300000000 ] - [ -0.0001979900000000, 0.0003609200000000, 0.0000985900000000 ] - [ -0.0000514800000000, 0.0005929400000000, -0.0004192900000000 ] - [ 0.0026740900000000, 0.0032454300000000, 0.0007359300000000 ] - [ 0.0102663900000000, 0.0002110600000000, 0.0031752000000000 ] - [ -0.0024509000000000, 0.0071165400000000, -0.0025171200000000 ] - [ 0.0023219000000000, 0.0000077800000000, 0.0006460600000000 ] - [ 0.0016190100000000, -0.0037328300000000, -0.0063255000000000 ] - [ 0.0018028800000000, 0.0028013500000000, -0.0049238300000000 ] - [ 0.0000691200000000, -0.0001099400000000, -0.0001385200000000 ] - [ -0.0008711000000000, 0.0029220300000000, -0.0002548600000000 ] - [ 0.0003835300000000, 0.0000138000000000, -0.0001262900000000 ] - [ -0.0001212600000000, 0.0005000800000000, 0.0000200000000000 ] - [ -0.0001041700000000, 0.0001175400000000, 0.0002305300000000 ] - [ -0.0000514100000000, 0.0000677400000000, 0.0004282500000000 ] - [ 0.0074475500000000, -0.0021036500000000, 0.0003985900000000 ] - [ -0.0000248300000000, -0.0000328300000000, -0.0002502000000000 ] - [ -0.0372306300000000, -0.0199473800000000, -0.0158030000000000 ] - [ -0.0001916500000000, -0.0002413500000000, -0.0001495300000000 ] - [ -0.0004204000000000, -0.0026378200000000, -0.0006025700000000 ] - [ 0.0001174800000000, -0.0001564500000000, -0.0000512200000000 ] - [ -0.0000212600000000, 0.0000516600000000, -0.0000328600000000 ] - [ 0.0010724700000000, 0.0004995100000000, 0.0002134800000000 ] - [ -0.0000020700000000, -0.0000059300000000, 0.0000612500000000 ] - [ 0.0000814900000000, -0.0000944400000000, -0.0001525300000000 ] - [ -0.0030551600000000, -0.0066717800000000, -0.0007440600000000 ] - [ 0.0003573300000000, 0.0000746600000000, -0.0001395500000000 ] - [ 0.0009047000000000, -0.0001169500000000, -0.0007992000000000 ] - [ 0.0011121200000000, -0.0024622900000000, -0.0048223000000000 ] - [ 0.0000625200000000, 0.0000145300000000, -0.0002354700000000 ] - [ -0.0143791500000000, 0.0012223500000000, -0.0037990700000000 ] - [ -0.0055498800000000, 0.0001691700000000, -0.0005437400000000 ] - [ 0.0002970600000000, 0.0002409200000000, -0.0001769600000000 ] - [ -0.0000175800000000, 0.0000621700000000, -0.0000575800000000 ] - [ 0.0000848500000000, 0.0000166600000000, -0.0005832600000000 ] - [ -0.0002083100000000, -0.0003425400000000, 0.0001194900000000 ] - [ 0.0004033400000000, 0.0000158500000000, 0.0001096000000000 ] - [ 0.0000803600000000, 0.0000181000000000, -0.0000854900000000 ] - [ 0.0030665400000000, 0.0023576500000000, 0.0008106200000000 ] - [ -0.0004209700000000, -0.0001058300000000, 0.0002720200000000 ] - [ -0.0231300000000000, -0.0029330800000000, 0.0000152700000000 ] - [ -0.0009713200000000, -0.0000179000000000, -0.0002631400000000 ] - [ -0.0006139000000000, -0.0000403900000000, -0.0003237400000000 ] - [ 0.0003547800000000, 0.0002270300000000, 0.0004890300000000 ] - [ 0.0000263900000000, 0.0001137000000000, -0.0001451900000000 ] - [ -0.0001027700000000, -0.0001336400000000, -0.0002077300000000 ] - [ -0.0537801000000000, -0.0013505100000000, 0.0210505500000000 ] - [ 0.0003455400000000, 0.0000330400000000, -0.0000617100000000 ] - [ 0.0000978600000000, -0.0004997500000000, 0.0004094500000000 ] - [ 0.0005030900000000, 0.0014129400000000, 0.0000230300000000 ] - [ 0.0002166100000000, -0.0006756700000000, -0.0006366000000000 ] - [ 0.0077830000000000, -0.0031949500000000, 0.0009461500000000 ] - [ -0.0002611500000000, -0.0000325200000000, -0.0001537200000000 ] - [ 0.0086436700000000, 0.0008524500000000, 0.0043859500000000 ] - [ -0.0000339600000000, 0.0000470300000000, -0.0002436100000000 ] - [ -0.0002299100000000, -0.0002939600000000, 0.0004477300000000 ] - [ 0.0078021500000000, 0.0030845400000000, 0.0006009200000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008049600000000, 0.0004907500000000, 0.0001726200000000 ] - [ 0.0000999100000000, -0.0000692900000000, 0.0024536500000000 ] - [ 0.0002519800000000, 0.0004364500000000, -0.0002441300000000 ] - [ 0.0000225200000000, 0.0009424900000000, 0.0001726200000000 ] - [ -0.0042651800000000, -0.0073875000000000, 0.0145235400000000 ] - [ -0.0001099600000000, 0.0000518800000000, 0.0024536500000000 ] - [ -0.0000096200000000, -0.0000166500000000, 0.0015975700000000 ] - [ 0.0162036600000000, -0.0039934100000000, 0.0007265400000000 ] - [ -0.0009201300000000, 0.0014014400000000, 0.0018030600000000 ] - [ 0.0004131300000000, 0.0007155700000000, -0.0026581500000000 ] - [ 0.0002753000000000, 0.0003011900000000, -0.0090844700000000 ] - [ 0.0000410500000000, -0.0000574300000000, 0.0021872900000000 ] - [ -0.0003224900000000, -0.0005585600000000, 0.0012818000000000 ] - [ -0.0098936700000000, 0.0120949800000000, 0.0006092400000000 ] - [ -0.0007966000000000, -0.0000710900000000, 0.0021551400000000 ] - [ 0.0000165000000000, 0.0002028600000000, 0.0015884600000000 ] - [ 0.0014815000000000, -0.0019293400000000, 0.0040526400000000 ] - [ -0.0000118700000000, -0.0000605700000000, 0.0017376400000000 ] - [ 0.0005395900000000, -0.0009557100000000, 0.0011025600000000 ] - [ 0.0050290000000000, 0.0087104900000000, 0.0168860000000000 ] - [ 0.0002837000000000, -0.0000958900000000, 0.0022793900000000 ] - [ -0.0027785500000000, -0.0048125900000000, -0.1777650800000000 ] - [ -0.0002248900000000, 0.0001977500000000, 0.0022793900000000 ] - [ 0.0016737500000000, -0.0000961400000000, 0.0018030600000000 ] - [ -0.0117421500000000, -0.0203380100000000, 0.0199940200000000 ] - [ 0.0000568000000000, 0.0000983800000000, 0.0024436600000000 ] - [ 0.0006366500000000, -0.0001259400000000, 0.0025266000000000 ] - [ -0.0001700600000000, 0.0000045300000000, 0.0016064900000000 ] - [ -0.0008144800000000, 0.0014276800000000, -0.0017949100000000 ] - [ 0.0041960400000000, -0.0066732000000000, -0.0254773800000000 ] - [ 0.0001088000000000, -0.0000289000000000, 0.0017889500000000 ] - [ -0.0024683100000000, -0.0009334900000000, -0.0009849500000000 ] - [ -0.0078771800000000, 0.0002972700000000, -0.0254773800000000 ] - [ -0.0010974700000000, -0.0000105500000000, 0.0011025600000000 ] - [ 0.0001688200000000, -0.0000193300000000, 0.0017598600000000 ] - [ -0.0000702600000000, 0.0000068400000000, 0.0021872900000000 ] - [ -0.0001011500000000, 0.0001365400000000, 0.0017598600000000 ] - [ -0.0084692100000000, -0.0003079700000000, -0.0259501200000000 ] - [ -0.0000794300000000, 0.0000797700000000, 0.0017889500000000 ] - [ 0.0003367400000000, -0.0007254200000000, 0.0021551400000000 ] - [ 0.0000716500000000, 0.0001090700000000, 0.0015426300000000 ] - [ 0.0000720700000000, 0.0002059100000000, 0.0017441600000000 ] - [ 0.0002767200000000, 0.0001064400000000, 0.0022683700000000 ] - [ 0.0004257300000000, -0.0026043700000000, -0.0009849500000000 ] - [ 0.0001422900000000, 0.0001653700000000, 0.0017441600000000 ] - [ 0.0000804700000000, 0.0001393700000000, 0.0017727600000000 ] - [ -0.0024116100000000, 0.0003183500000000, 0.0040526400000000 ] - [ -0.0000461800000000, 0.0002928600000000, 0.0022683700000000 ] - [ 0.0039679000000000, -0.0074885400000000, -0.0259501200000000 ] - [ -0.0004274000000000, 0.0004883900000000, 0.0025266000000000 ] - [ 0.0003365600000000, 0.0005829300000000, 0.0028709100000000 ] - [ -0.0001376600000000, -0.0001903400000000, 0.0022180900000000 ] - [ 0.0000039900000000, -0.0000178000000000, 0.0017991400000000 ] - [ 0.0016436500000000, 0.0000084800000000, -0.0017949100000000 ] - [ -0.0003433000000000, -0.0005946100000000, 0.0019690600000000 ] - [ 0.0154214000000000, -0.0025206800000000, 0.0006092400000000 ] - [ 0.0001231900000000, 0.0003890100000000, -0.0090844700000000 ] - [ 0.0000602500000000, 0.0001043600000000, 0.0018027500000000 ] - [ 0.0000275000000000, 0.0000476400000000, 0.0019013100000000 ] - [ 0.0001674300000000, 0.0001157200000000, 0.0015884600000000 ] - [ 0.0004578800000000, -0.0008255900000000, -0.0099090400000000 ] - [ -0.0000465200000000, -0.0000405600000000, 0.0017376400000000 ] - [ 0.0000889500000000, -0.0001450100000000, 0.0016064900000000 ] - [ -0.0000174100000000, -0.0000054400000000, 0.0017991400000000 ] - [ -0.0000960100000000, -0.0002143800000000, 0.0022180900000000 ] - [ -0.0000558700000000, -0.0002887600000000, 0.0022529500000000 ] - [ -0.0002221400000000, -0.0001927700000000, 0.0022529500000000 ] - [ 0.0000586300000000, 0.0001165800000000, 0.0015426300000000 ] - [ -0.0009439300000000, -0.0000162600000000, -0.0099090400000000 ] - [ 0.0000194600000000, 0.0000337100000000, 0.0022488000000000 ] - [ -0.0115602300000000, 0.0120360800000000, 0.0007265400000000 ] - [ -0.0002622000000000, -0.0004519400000000, -0.0014261000000000 ] - [ 0.0026611800000000, 0.0013846100000000, 0.0049878200000000 ] - [ 0.0006059800000000, 0.0000281200000000, -0.0013359800000000 ] - [ -0.0000922600000000, 0.0001809900000000, -0.0015438400000000 ] - [ -0.0001788700000000, -0.0003098100000000, -0.0016428900000000 ] - [ -0.0029699900000000, 0.0019226700000000, 0.0043849900000000 ] - [ -0.0002511900000000, -0.0003187300000000, -0.0007190100000000 ] - [ -0.0000857500000000, -0.0000866000000000, -0.0015169900000000 ] - [ 0.0000810000000000, 0.0001403000000000, -0.0020613000000000 ] - [ -0.0002185600000000, 0.0000211400000000, -0.0018467000000000 ] - [ 0.0001045100000000, -0.0002251700000000, -0.0015138800000000 ] - [ -0.0005179000000000, -0.0000324500000000, -0.0011883100000000 ] - [ 0.0003305300000000, -0.0001405400000000, -0.0022340300000000 ] - [ 0.0110774500000000, -0.0144064000000000, 0.0361323400000000 ] - [ 0.0005750300000000, 0.0032871300000000, -0.0016066800000000 ] - [ -0.0034327200000000, 0.0021921700000000, 0.0043411600000000 ] - [ 0.0006496000000000, 0.0011251300000000, -0.0021359300000000 ] - [ 0.0002028800000000, 0.0000105900000000, -0.0015438400000000 ] - [ 0.0008519400000000, -0.0029721000000000, 0.0038303700000000 ] - [ 0.0016774200000000, 0.0029053800000000, 0.0303322800000000 ] - [ -0.0002472600000000, -0.0000220800000000, -0.0015138800000000 ] - [ -0.0000930500000000, -0.0000129100000000, -0.0010324500000000 ] - [ 0.0000242700000000, -0.0000012900000000, 0.0007857000000000 ] - [ -0.0030353300000000, -0.0004069200000000, -0.0012919800000000 ] - [ -0.0023018400000000, 0.0006072100000000, -0.0023284400000000 ] - [ 0.0011652600000000, -0.0028321300000000, -0.0012919800000000 ] - [ -0.0001836900000000, 0.0002817400000000, -0.0017290100000000 ] - [ -0.0001170300000000, -0.0002026900000000, -0.0014134000000000 ] - [ -0.0000384600000000, 0.0000086300000000, -0.0013443500000000 ] - [ 0.0001275900000000, -0.0001787100000000, -0.0018467000000000 ] - [ 0.0019736600000000, 0.0034184700000000, 0.0114032800000000 ] - [ -0.0000425400000000, 0.0002839600000000, -0.0015618900000000 ] - [ 0.0000267000000000, -0.0000289900000000, -0.0013443500000000 ] - [ -0.0001708300000000, 0.0003007100000000, -0.0016127100000000 ] - [ 0.0001492000000000, 0.0000344100000000, -0.0014268600000000 ] - [ -0.0002212100000000, 0.0001633000000000, -0.0015345500000000 ] - [ 0.0002000200000000, 0.0000409500000000, 0.0006537200000000 ] - [ 0.0009371700000000, -0.0029255100000000, 0.0069406900000000 ] - [ 0.0001661100000000, -0.0001747500000000, -0.0014802700000000 ] - [ 0.0002847100000000, 0.0036199700000000, 0.0047735100000000 ] - [ 0.0003458400000000, 0.0000024100000000, -0.0016127100000000 ] - [ 0.0000353400000000, -0.0000870400000000, -0.0010324500000000 ] - [ -0.0004677800000000, -0.0002312700000000, -0.0020078200000000 ] - [ -0.0002238100000000, -0.0001613700000000, -0.0015371300000000 ] - [ -0.0000114200000000, 0.0000060200000000, -0.0014849100000000 ] - [ -0.0003433200000000, -0.0005946500000000, -0.0011191200000000 ] - [ -0.0028903300000000, 0.0007530700000000, -0.0025576300000000 ] - [ -0.0001769300000000, 0.0003410100000000, -0.0008869400000000 ] - [ -0.0000259900000000, 0.0005286300000000, -0.0010830700000000 ] - [ -0.0029998900000000, -0.0007482500000000, 0.0038303700000000 ] - [ -0.0043366600000000, -0.0009028700000000, 0.0071056400000000 ] - [ 0.0012521600000000, 0.0021688100000000, 0.0076670100000000 ] - [ -0.0000645500000000, 0.0001937000000000, 0.0006537200000000 ] - [ 0.0020973400000000, -0.0021265600000000, -0.0025576300000000 ] - [ 0.0025592200000000, 0.0021415600000000, -0.0016066800000000 ] - [ 0.0002520300000000, -0.0001099200000000, -0.0015345500000000 ] - [ 0.0003967100000000, -0.0029999500000000, 0.0045669200000000 ] - [ 0.0004708000000000, 0.0002418100000000, -0.0010830700000000 ] - [ -0.0002830900000000, 0.0004369500000000, -0.0009623100000000 ] - [ 0.0000400700000000, 0.0000694000000000, -0.0013614800000000 ] - [ -0.0001504300000000, -0.0003769000000000, -0.0007190100000000 ] - [ 0.0031500800000000, -0.0016107500000000, 0.0043849900000000 ] - [ -0.0002343900000000, 0.0000564800000000, -0.0014802700000000 ] - [ 0.0141610900000000, 0.0245277300000000, 0.0441076700000000 ] - [ -0.0001054600000000, -0.0001826600000000, -0.0019428600000000 ] - [ -0.0001314900000000, 0.0029969500000000, 0.0049878200000000 ] - [ 0.0001147700000000, 0.0002129100000000, -0.0010284000000000 ] - [ 0.0000443700000000, 0.0001188800000000, -0.0013953800000000 ] - [ -0.0000132500000000, 0.0000203800000000, 0.0007857000000000 ] - [ 0.0000109200000000, -0.0000068800000000, -0.0014849100000000 ] - [ -0.0000278500000000, -0.0002745100000000, -0.0015371300000000 ] - [ 0.0013864200000000, -0.0042070900000000, 0.0071056400000000 ] - [ 0.0005199600000000, -0.0000266900000000, -0.0009623100000000 ] - [ 0.0005273600000000, -0.0001792300000000, -0.0014557700000000 ] - [ 0.0016767800000000, -0.0016898400000000, -0.0023284400000000 ] - [ 0.0000611400000000, 0.0002100500000000, -0.0014968300000000 ] - [ 0.0030821700000000, 0.0017925400000000, 0.0217223200000000 ] - [ 0.0004576200000000, 0.0007926200000000, -0.0071909600000000 ] - [ 0.0001270000000000, 0.0002058400000000, -0.0010284000000000 ] - [ -0.0000448000000000, 0.0001464100000000, -0.0014268600000000 ] - [ 0.0002304800000000, 0.0003992000000000, -0.0021235700000000 ] - [ -0.0002058800000000, -0.0003565900000000, -0.0008862500000000 ] - [ 0.0003837900000000, 0.0000172800000000, -0.0008869400000000 ] - [ 0.0000807700000000, 0.0000978600000000, -0.0013953800000000 ] - [ -0.0027963900000000, -0.0011564100000000, 0.0045669200000000 ] - [ -0.0002617800000000, -0.0004534100000000, -0.0015075600000000 ] - [ 0.0000113000000000, 0.0035655000000000, 0.0217223200000000 ] - [ -0.0002869800000000, 0.0002159700000000, -0.0022340300000000 ] - [ 0.0000336100000000, -0.0005207500000000, -0.0020078200000000 ] - [ -0.0002603000000000, -0.0004530400000000, -0.0014261000000000 ] - [ 0.0002671900000000, 0.0001051400000000, -0.0015618900000000 ] - [ -0.0001149600000000, -0.0001991100000000, -0.0015919600000000 ] - [ -0.0180150300000000, 0.0023901500000000, 0.0361323400000000 ] - [ 0.0003358400000000, -0.0000182100000000, -0.0017290100000000 ] - [ -0.0004189000000000, 0.0003670900000000, -0.0014557700000000 ] - [ 0.0001360100000000, 0.0002355800000000, 0.0003831200000000 ] - [ 0.0002308400000000, -0.0004647400000000, -0.0011883100000000 ] - [ 0.0036148400000000, -0.0018767400000000, 0.0043411600000000 ] - [ -0.0000321200000000, -0.0001175600000000, -0.0015169900000000 ] - [ -0.0030021500000000, -0.0006511500000000, 0.0069406900000000 ] - [ 0.0001513400000000, 0.0001579800000000, -0.0014968300000000 ] - [ -0.0002786400000000, 0.0005388500000000, -0.0013359800000000 ] - [ 0.0029926300000000, 0.0020565500000000, 0.0047735100000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007445900000000, -0.0005888300000000, -0.0001854600000000 ] - [ -0.0001002700000000, 0.0000698000000000, -0.0024529800000000 ] - [ -0.0002477700000000, -0.0004291500000000, 0.0006543400000000 ] - [ -0.0001376400000000, -0.0009392500000000, -0.0001854600000000 ] - [ 0.0042682200000000, 0.0073927700000000, -0.0143867500000000 ] - [ 0.0001105800000000, -0.0000519300000000, -0.0024529800000000 ] - [ 0.0000095500000000, 0.0000165300000000, -0.0020004800000000 ] - [ -0.0161876000000000, 0.0039430100000000, -0.0004292200000000 ] - [ 0.0006021100000000, -0.0009902100000000, -0.0019961300000000 ] - [ -0.0004239400000000, -0.0007342800000000, 0.0018031200000000 ] - [ -0.0001272800000000, -0.0001039400000000, 0.0091724700000000 ] - [ -0.0000575600000000, 0.0000993000000000, -0.0017582400000000 ] - [ 0.0003182900000000, 0.0005512900000000, -0.0004443300000000 ] - [ 0.0099385700000000, -0.0120884700000000, 0.0000231700000000 ] - [ 0.0005448600000000, 0.0000464600000000, -0.0022329200000000 ] - [ 0.0000788000000000, 0.0000226400000000, -0.0016710300000000 ] - [ -0.0016990000000000, 0.0024383100000000, -0.0042594900000000 ] - [ 0.0000794100000000, -0.0000554600000000, -0.0023636500000000 ] - [ -0.0008605700000000, 0.0005390200000000, -0.0012942200000000 ] - [ -0.0050347000000000, -0.0087203500000000, -0.0163266900000000 ] - [ 0.0002372500000000, 0.0001629400000000, -0.0020807300000000 ] - [ 0.0024678400000000, 0.0042744200000000, 0.1787430400000000 ] - [ 0.0000224900000000, 0.0002869300000000, -0.0020807300000000 ] - [ -0.0011586000000000, 0.0000263400000000, -0.0019961300000000 ] - [ 0.0119486800000000, 0.0206957200000000, -0.0195754900000000 ] - [ -0.0003348400000000, -0.0005799600000000, -0.0023422300000000 ] - [ -0.0006389600000000, 0.0001233300000000, -0.0028637100000000 ] - [ 0.0000104900000000, -0.0000099900000000, -0.0022602200000000 ] - [ 0.0006776900000000, -0.0014295100000000, 0.0024293800000000 ] - [ -0.0045447900000000, 0.0066358000000000, 0.0255945400000000 ] - [ -0.0001067700000000, 0.0000327700000000, -0.0024144400000000 ] - [ 0.0025410300000000, 0.0007882200000000, 0.0016479000000000 ] - [ 0.0080191700000000, -0.0006180000000000, 0.0255945400000000 ] - [ 0.0008970900000000, -0.0004757600000000, -0.0012942200000000 ] - [ 0.0003901400000000, 0.0000184000000000, -0.0016609100000000 ] - [ 0.0001147700000000, -0.0000002000000000, -0.0017582400000000 ] - [ -0.0001791300000000, 0.0003470700000000, -0.0016609100000000 ] - [ 0.0085754400000000, 0.0002025600000000, 0.0260411200000000 ] - [ 0.0000817600000000, -0.0000760800000000, -0.0024144400000000 ] - [ -0.0002322000000000, 0.0004950900000000, -0.0022329200000000 ] - [ -0.0000886900000000, -0.0000667400000000, -0.0019689100000000 ] - [ -0.0003078200000000, -0.0001834000000000, -0.0018246400000000 ] - [ 0.0002434600000000, -0.0001768500000000, -0.0020693200000000 ] - [ -0.0005878900000000, 0.0025947100000000, 0.0016479000000000 ] - [ -0.0000049200000000, -0.0003582800000000, -0.0018246400000000 ] - [ -0.0000022900000000, -0.0000039600000000, -0.0024238800000000 ] - [ 0.0029611300000000, -0.0002522200000000, -0.0042594900000000 ] - [ -0.0002748900000000, 0.0001224200000000, -0.0020693200000000 ] - [ -0.0041122900000000, 0.0075278300000000, 0.0260411200000000 ] - [ 0.0004262900000000, -0.0004916900000000, -0.0028637100000000 ] - [ -0.0002434100000000, -0.0004216000000000, -0.0023068800000000 ] - [ -0.0000537800000000, 0.0001916200000000, -0.0016501000000000 ] - [ 0.0000921000000000, -0.0001471300000000, -0.0023641700000000 ] - [ -0.0015768300000000, -0.0001278600000000, 0.0024293800000000 ] - [ 0.0003253600000000, 0.0005635500000000, -0.0023943000000000 ] - [ -0.0154382100000000, 0.0025628200000000, 0.0000231700000000 ] - [ -0.0000263700000000, -0.0001622000000000, 0.0091724700000000 ] - [ 0.0000069500000000, 0.0000120400000000, -0.0024281700000000 ] - [ 0.0000676400000000, 0.0001171600000000, -0.0024673700000000 ] - [ -0.0000198000000000, 0.0000795700000000, -0.0016710300000000 ] - [ 0.0000973800000000, 0.0008286700000000, 0.0098168700000000 ] - [ -0.0000877300000000, 0.0000410400000000, -0.0023636500000000 ] - [ -0.0000139000000000, 0.0000040900000000, -0.0022602200000000 ] - [ -0.0001734700000000, 0.0000061900000000, -0.0023641700000000 ] - [ 0.0001928400000000, 0.0000492300000000, -0.0016501000000000 ] - [ -0.0002638600000000, -0.0001286600000000, -0.0020555500000000 ] - [ 0.0000205100000000, -0.0002928400000000, -0.0020555500000000 ] - [ -0.0000134500000000, -0.0001101700000000, -0.0019689100000000 ] - [ 0.0006689600000000, 0.0004986600000000, 0.0098168700000000 ] - [ -0.0000398700000000, -0.0000690600000000, -0.0018232700000000 ] - [ 0.0115085500000000, -0.0120473700000000, -0.0004292200000000 ] - [ 0.0000472900000000, 0.0005628400000000, 0.0010153400000000 ] - [ -0.0025996500000000, -0.0014933300000000, -0.0058621500000000 ] - [ -0.0004495500000000, -0.0002028800000000, 0.0014636700000000 ] - [ -0.0000552900000000, 0.0000753600000000, 0.0012787800000000 ] - [ 0.0001606100000000, 0.0002781900000000, 0.0011055800000000 ] - [ 0.0030689800000000, -0.0021105500000000, -0.0043198700000000 ] - [ 0.0002351400000000, 0.0003507300000000, 0.0012550500000000 ] - [ 0.0001955600000000, -0.0000942800000000, 0.0014489900000000 ] - [ 0.0001361900000000, 0.0002358900000000, 0.0020615300000000 ] - [ -0.0002283000000000, -0.0000238000000000, 0.0018462100000000 ] - [ 0.0000112600000000, 0.0002214700000000, 0.0011439100000000 ] - [ 0.0005922300000000, -0.0001944800000000, 0.0013130800000000 ] - [ -0.0001286600000000, 0.0002755300000000, 0.0018120600000000 ] - [ -0.0104945400000000, 0.0137007000000000, -0.0352180000000000 ] - [ -0.0006199100000000, -0.0031928500000000, 0.0019620500000000 ] - [ 0.0032302200000000, -0.0023052600000000, -0.0039243000000000 ] - [ -0.0006701400000000, -0.0011607200000000, 0.0026805400000000 ] - [ 0.0000929100000000, -0.0000102000000000, 0.0012787800000000 ] - [ -0.0001574000000000, 0.0029961400000000, -0.0034619700000000 ] - [ -0.0020842200000000, -0.0036099700000000, -0.0319299100000000 ] - [ 0.0001861600000000, 0.0001204900000000, 0.0011439100000000 ] - [ -0.0000346700000000, 0.0000103300000000, 0.0019038600000000 ] - [ -0.0000734100000000, -0.0001000400000000, -0.0004212200000000 ] - [ 0.0031528100000000, 0.0004152000000000, 0.0016513600000000 ] - [ 0.0023050200000000, -0.0006138300000000, 0.0019964800000000 ] - [ -0.0012168300000000, 0.0029380100000000, 0.0016513600000000 ] - [ -0.0001386600000000, 0.0002834000000000, 0.0017269300000000 ] - [ 0.0001467000000000, 0.0002540800000000, 0.0014979400000000 ] - [ -0.0001758200000000, -0.0000133800000000, 0.0012777100000000 ] - [ 0.0000935400000000, -0.0002096100000000, 0.0018462100000000 ] - [ -0.0019537000000000, -0.0033839100000000, -0.0114936400000000 ] - [ 0.0002036400000000, -0.0001053200000000, 0.0014324300000000 ] - [ 0.0000763200000000, -0.0001589600000000, 0.0012777100000000 ] - [ 0.0001539400000000, -0.0002717600000000, 0.0010735500000000 ] - [ -0.0000386000000000, 0.0001441400000000, 0.0013581100000000 ] - [ -0.0000096400000000, -0.0002113900000000, 0.0014066500000000 ] - [ 0.0000957100000000, -0.0000399800000000, -0.0003933900000000 ] - [ -0.0008383700000000, 0.0031164500000000, -0.0068797300000000 ] - [ -0.0002144600000000, 0.0000732700000000, 0.0011112600000000 ] - [ -0.0000264000000000, -0.0036341200000000, -0.0047626400000000 ] - [ -0.0003123200000000, -0.0000025600000000, 0.0010735500000000 ] - [ 0.0000262800000000, -0.0000248600000000, 0.0019038600000000 ] - [ 0.0006323100000000, 0.0004084100000000, 0.0021402500000000 ] - [ -0.0000070900000000, 0.0002098700000000, 0.0014070000000000 ] - [ 0.0000106600000000, -0.0000042100000000, 0.0018041500000000 ] - [ -0.0000603600000000, -0.0001045500000000, 0.0007985800000000 ] - [ 0.0028826700000000, -0.0007415000000000, 0.0025691400000000 ] - [ -0.0002333000000000, 0.0003535400000000, 0.0012042500000000 ] - [ -0.0003850800000000, 0.0001649300000000, 0.0007641900000000 ] - [ 0.0026734300000000, 0.0013617600000000, -0.0034619700000000 ] - [ 0.0045432200000000, 0.0007738600000000, -0.0066866200000000 ] - [ -0.0015944600000000, -0.0027616900000000, -0.0072980300000000 ] - [ -0.0000824700000000, 0.0000629000000000, -0.0003933900000000 ] - [ -0.0020834900000000, 0.0021257200000000, 0.0025691400000000 ] - [ -0.0024551400000000, -0.0021332900000000, 0.0019620500000000 ] - [ -0.0001782500000000, -0.0001140400000000, 0.0014066500000000 ] - [ -0.0004533100000000, 0.0029937200000000, -0.0046545400000000 ] - [ 0.0003353700000000, -0.0002510200000000, 0.0007641900000000 ] - [ -0.0000612700000000, 0.0001697300000000, 0.0005960200000000 ] - [ 0.0000202600000000, 0.0000351000000000, 0.0022303000000000 ] - [ 0.0001861700000000, 0.0003790100000000, 0.0012550500000000 ] - [ -0.0033622800000000, 0.0016025400000000, -0.0043198700000000 ] - [ 0.0001706800000000, -0.0001490900000000, 0.0011112600000000 ] - [ -0.0136749600000000, -0.0236857200000000, -0.0437231700000000 ] - [ -0.0002136500000000, -0.0003700500000000, 0.0019432100000000 ] - [ 0.0000065600000000, -0.0029980300000000, -0.0058621500000000 ] - [ 0.0001426400000000, -0.0002132400000000, 0.0010153900000000 ] - [ -0.0001020300000000, -0.0001169300000000, 0.0014792000000000 ] - [ -0.0000499300000000, -0.0001136000000000, -0.0004212200000000 ] - [ -0.0000089700000000, 0.0000071200000000, 0.0018041500000000 ] - [ 0.0001853000000000, 0.0000988000000000, 0.0014070000000000 ] - [ -0.0016014300000000, 0.0043214700000000, -0.0066866200000000 ] - [ 0.0001776300000000, 0.0000318100000000, 0.0005960200000000 ] - [ -0.0005113400000000, -0.0000616900000000, 0.0010406900000000 ] - [ -0.0016841000000000, 0.0016892900000000, 0.0019964800000000 ] - [ 0.0000555300000000, -0.0002064700000000, 0.0011250000000000 ] - [ -0.0021124100000000, -0.0019907800000000, -0.0224342600000000 ] - [ -0.0006115000000000, -0.0010591400000000, 0.0074965900000000 ] - [ -0.0002560000000000, 0.0000169100000000, 0.0010153900000000 ] - [ 0.0001441300000000, 0.0000386400000000, 0.0013581100000000 ] - [ -0.0005744300000000, -0.0009949400000000, 0.0017514600000000 ] - [ -0.0001976700000000, -0.0003423800000000, 0.0012058400000000 ] - [ 0.0004228200000000, -0.0000252700000000, 0.0012042500000000 ] - [ -0.0000502500000000, -0.0001468300000000, 0.0014792000000000 ] - [ 0.0028192900000000, 0.0011042800000000, -0.0046545400000000 ] - [ 0.0001299900000000, 0.0002251600000000, 0.0014919100000000 ] - [ -0.0006678600000000, -0.0028247900000000, -0.0224342600000000 ] - [ 0.0003029500000000, 0.0000263500000000, 0.0018120600000000 ] - [ 0.0000375400000000, 0.0007518000000000, 0.0021402500000000 ] - [ 0.0004637900000000, 0.0003223700000000, 0.0010153400000000 ] - [ -0.0001930300000000, 0.0001237000000000, 0.0014324300000000 ] - [ -0.0000329600000000, -0.0000570900000000, 0.0013271200000000 ] - [ 0.0171124300000000, -0.0022381900000000, -0.0352180000000000 ] - [ 0.0003147700000000, 0.0000216200000000, 0.0017269300000000 ] - [ 0.0002022400000000, -0.0004736700000000, 0.0010406900000000 ] - [ -0.0001341300000000, -0.0002323200000000, -0.0003735600000000 ] - [ -0.0004645400000000, 0.0004156500000000, 0.0013130800000000 ] - [ -0.0036115300000000, 0.0016448200000000, -0.0039243000000000 ] - [ -0.0001794300000000, 0.0001222200000000, 0.0014489900000000 ] - [ 0.0031181100000000, 0.0008321800000000, -0.0068797300000000 ] - [ -0.0002065800000000, -0.0000551400000000, 0.0011250000000000 ] - [ 0.0000490800000000, -0.0004907600000000, 0.0014636700000000 ] - [ -0.0031340400000000, -0.0018399300000000, -0.0047626400000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000551600000000, -0.0000502100000000, 0.0000535100000000 ] - [ 0.0011974800000000, -0.0071582000000000, 0.0077906800000000 ] - [ -0.0002114600000000, 0.0020418700000000, -0.0021209600000000 ] - [ -0.0000369500000000, -0.0000055400000000, 0.0000552100000000 ] - [ -0.0000069700000000, 0.0000557900000000, 0.0000550500000000 ] - [ 0.0142578000000000, -0.0012878700000000, -0.0129459500000000 ] - [ -0.0000521900000000, 0.0000687200000000, -0.0000377300000000 ] - [ 0.0000552100000000, 0.0000091500000000, 0.0003443400000000 ] - [ 0.0108837800000000, -0.0181033500000000, 0.0140457000000000 ] - [ -0.0000683900000000, 0.0000658600000000, -0.0004279700000000 ] - [ 0.0006090200000000, 0.0000529600000000, -0.0000624400000000 ] - [ -0.0010191100000000, 0.0011945600000000, 0.0056954100000000 ] - [ -0.0000021600000000, 0.0000007900000000, 0.0004587200000000 ] - [ 0.0005045200000000, 0.0000254000000000, 0.0034948600000000 ] - [ -0.0001440700000000, -0.0000128600000000, 0.0000068000000000 ] - [ 0.0000484000000000, 0.0001161500000000, 0.0000004500000000 ] - [ -0.0132815100000000, -0.0069706300000000, -0.0056234900000000 ] - [ 0.0000457500000000, -0.0000544800000000, -0.0001623500000000 ] - [ 0.0018790300000000, -0.0048640500000000, -0.0003434700000000 ] - [ -0.0075280600000000, 0.0011038700000000, 0.0004661900000000 ] - [ 0.0001828800000000, 0.0003368200000000, -0.0004077600000000 ] - [ -0.0005582800000000, -0.0002024600000000, 0.0002401600000000 ] - [ -0.0003027500000000, 0.0007046300000000, 0.0001226400000000 ] - [ 0.0150746300000000, -0.0072008200000000, -0.0127624800000000 ] - [ -0.0000950700000000, 0.0013405200000000, 0.0016012000000000 ] - [ -0.0001591900000000, -0.0002367500000000, 0.0000683800000000 ] - [ 0.0000025500000000, -0.0000033800000000, -0.0001129600000000 ] - [ -0.0000072200000000, -0.0000276600000000, -0.0002635800000000 ] - [ 0.0003255500000000, -0.0020730900000000, 0.0013062900000000 ] - [ 0.0000238700000000, 0.0003412700000000, 0.0002776200000000 ] - [ 0.0000383500000000, -0.0000179100000000, -0.0003936700000000 ] - [ 0.0018443300000000, -0.0000950700000000, 0.0003343400000000 ] - [ 0.0001013500000000, -0.0000441100000000, 0.0000536800000000 ] - [ 0.0098386500000000, -0.0003454300000000, -0.0012422800000000 ] - [ 0.0002870500000000, -0.0000121200000000, 0.0000831700000000 ] - [ -0.0005539700000000, 0.0003238900000000, 0.0004759800000000 ] - [ -0.0001237200000000, 0.0002375000000000, 0.0000932400000000 ] - [ -0.0003348200000000, -0.0000594800000000, 0.0004560400000000 ] - [ -0.0000144600000000, -0.0000166600000000, -0.0002536700000000 ] - [ 0.0000387600000000, -0.0001267100000000, -0.0000085100000000 ] - [ 0.0257176400000000, 0.0154554300000000, 0.0008215000000000 ] - [ -0.0001111400000000, 0.0000307200000000, -0.0000163400000000 ] - [ -0.0003287400000000, -0.0003407000000000, 0.0005525300000000 ] - [ 0.0007780300000000, -0.0002022700000000, 0.0004123800000000 ] - [ 0.0000682200000000, -0.0000907300000000, -0.0000005100000000 ] - [ -0.0001203300000000, 0.0000071400000000, -0.0003753500000000 ] - [ 0.0135266300000000, 0.0168662100000000, 0.0162126400000000 ] - [ -0.0002711100000000, -0.0002904300000000, -0.0003042800000000 ] - [ -0.0005846800000000, 0.0000718000000000, -0.0005379800000000 ] - [ -0.0000013400000000, -0.0000057400000000, -0.0001397200000000 ] - [ -0.2819189900000000, 0.0422655200000000, -0.0056408800000000 ] - [ 0.0025654300000000, -0.0029661300000000, -0.0002621500000000 ] - [ 0.0009574100000000, 0.0002016500000000, -0.0000976200000000 ] - [ 0.0028290500000000, 0.0002624500000000, -0.0015861200000000 ] - [ 0.0027329700000000, 0.0066724100000000, -0.0017177100000000 ] - [ -0.0005862000000000, -0.0006537000000000, -0.0017814000000000 ] - [ 0.0002324800000000, -0.0000717500000000, 0.0000563900000000 ] - [ -0.0000071200000000, 0.0001607400000000, -0.0003383800000000 ] - [ -0.0005591400000000, -0.0011895300000000, -0.0018339500000000 ] - [ 0.0000874300000000, 0.0000999800000000, 0.0000062800000000 ] - [ 0.0004229400000000, -0.0004515100000000, 0.0001357200000000 ] - [ -0.0000844200000000, -0.0000528000000000, -0.0002780800000000 ] - [ 0.0001849500000000, -0.0000628400000000, -0.0003130900000000 ] - [ 0.0008773600000000, -0.0002452900000000, -0.0000321200000000 ] - [ 0.0036975100000000, 0.0023180400000000, -0.0000553700000000 ] - [ -0.0001049700000000, -0.0004392400000000, 0.0004587200000000 ] - [ 0.0009332800000000, -0.0003203300000000, 0.0000744300000000 ] - [ -0.0157414100000000, 0.0043760000000000, 0.0014390400000000 ] - [ 0.0004603800000000, 0.0003232500000000, -0.0001942800000000 ] - [ -0.0000753200000000, 0.0011826500000000, -0.0003324200000000 ] - [ -0.0000642700000000, -0.0000693200000000, 0.0001237400000000 ] - [ -0.0001069100000000, 0.0000533300000000, -0.0002310400000000 ] - [ -0.0003343100000000, 0.0000061800000000, -0.0004993900000000 ] - [ -0.0082220800000000, -0.0029370100000000, 0.0002298700000000 ] - [ -0.0002963400000000, 0.0002353800000000, -0.0003179000000000 ] - [ 0.0001260600000000, -0.0003918000000000, -0.0000764100000000 ] - [ -0.0000907500000000, 0.0005663000000000, 0.0003816700000000 ] - [ -0.0102740500000000, -0.0001944700000000, 0.0038724300000000 ] - [ 0.0000569300000000, -0.0001025700000000, -0.0000093500000000 ] - [ 0.0234920900000000, 0.0014312200000000, -0.0138839700000000 ] - [ -0.0012415700000000, 0.0014670900000000, 0.0001689500000000 ] - [ 0.0002071300000000, 0.0000492700000000, -0.0003105600000000 ] - [ -0.0034203800000000, 0.0027376300000000, 0.0002520100000000 ] - [ 0.0001050400000000, 0.0000682100000000, -0.0002338900000000 ] - [ 0.0001258700000000, 0.0001160600000000, 0.0000674300000000 ] - [ 0.0009450800000000, -0.0008526700000000, -0.0001237400000000 ] - [ -0.0002332600000000, -0.0000455300000000, 0.0000766900000000 ] - [ 0.0032731500000000, -0.0092299800000000, -0.0014356900000000 ] - [ 0.0001561300000000, 0.0001139600000000, -0.0001435800000000 ] - [ 0.0002982100000000, -0.0001111000000000, 0.0002390300000000 ] - [ 0.0009540700000000, -0.0001165500000000, -0.0004697500000000 ] - [ 0.0000503900000000, 0.0001633100000000, -0.0001340800000000 ] - [ -0.0000726000000000, -0.0000081100000000, 0.0003878200000000 ] - [ -0.0023019000000000, -0.0007212300000000, 0.0007601700000000 ] - [ -0.0005920500000000, -0.0013455800000000, 0.0059666000000000 ] - [ -0.0014106400000000, 0.0032482900000000, 0.0045899200000000 ] - [ 0.0037285700000000, 0.0035866900000000, -0.0049444600000000 ] - [ -0.0053371000000000, -0.0020130700000000, -0.0065548500000000 ] - [ 0.0000219200000000, -0.0000060500000000, 0.0000147300000000 ] - [ -0.0001420300000000, -0.0000005100000000, -0.0000628300000000 ] - [ -0.0018692600000000, -0.0009085400000000, -0.0002232100000000 ] - [ -0.0000225700000000, -0.0004709200000000, -0.0000057200000000 ] - [ 0.0011272600000000, -0.0005723800000000, 0.0010881000000000 ] - [ 0.0000576100000000, -0.0000850800000000, -0.0000577100000000 ] - [ -0.0003945600000000, 0.0005815000000000, -0.0017344800000000 ] - [ 0.0000517500000000, 0.0000939000000000, -0.0000824100000000 ] - [ -0.0007681800000000, 0.0006239100000000, 0.0005940600000000 ] - [ -0.0006122400000000, 0.0018445600000000, -0.0003676900000000 ] - [ 0.0000560100000000, 0.0006191100000000, -0.0009089500000000 ] - [ -0.0001898700000000, -0.0001196100000000, -0.0002760800000000 ] - [ 0.0001471700000000, 0.0001761000000000, -0.0000948300000000 ] - [ 0.0001306200000000, 0.0002753900000000, -0.0003984400000000 ] - [ 0.0000083500000000, -0.0000535900000000, 0.0004008700000000 ] - [ 0.0598816000000000, -0.0459842900000000, -0.0300403700000000 ] - [ 0.0000516300000000, 0.0002037900000000, -0.0005880000000000 ] - [ -0.0000634600000000, 0.0000473300000000, 0.0003836700000000 ] - [ 0.0400729800000000, 0.0210854900000000, -0.0045137200000000 ] - [ -0.0000094500000000, -0.0000019700000000, -0.0000745100000000 ] - [ -0.0002488700000000, 0.0001248100000000, 0.0002817200000000 ] - [ -0.0006374200000000, -0.0048381100000000, -0.0002559000000000 ] - [ -0.0001464200000000, 0.0003209400000000, 0.0001238500000000 ] - [ -0.0000078000000000, -0.0000817600000000, 0.0000925900000000 ] - [ -0.0000404900000000, -0.0003242800000000, 0.0001900000000000 ] - [ -0.0029240200000000, 0.0008383400000000, 0.0013187300000000 ] - [ 0.0000082900000000, 0.0000082300000000, -0.0000173700000000 ] - [ -0.0009060200000000, -0.0013995900000000, -0.0011205300000000 ] - [ -0.0002899700000000, -0.0000827300000000, -0.0006020400000000 ] - [ 0.0003570400000000, 0.0005448900000000, -0.0004912500000000 ] - [ -0.0029440900000000, -0.0036604200000000, 0.0003540500000000 ] - [ -0.0001732900000000, 0.0003044400000000, -0.0002098600000000 ] - [ 0.0000580700000000, 0.0000570500000000, 0.0004087600000000 ] - [ 0.0027937900000000, 0.0070891900000000, 0.0001930900000000 ] - [ -0.0011545000000000, -0.0000401100000000, -0.0004336200000000 ] - [ -0.0000529900000000, 0.0000098000000000, -0.0002751100000000 ] - [ 0.0000102800000000, -0.0002603300000000, -0.0000674100000000 ] - [ -0.0005518800000000, -0.0024717000000000, 0.0009398600000000 ] - [ -0.0002839400000000, -0.0000541100000000, -0.0004734000000000 ] - [ 0.0001340400000000, 0.0000047600000000, -0.0000294400000000 ] - [ -0.0000080500000000, 0.0000165200000000, 0.0000056900000000 ] - [ -0.0002769100000000, 0.0011631000000000, 0.0003232100000000 ] - [ 0.0001069900000000, -0.0001140100000000, 0.0001453200000000 ] - [ -0.0005106200000000, -0.0005702400000000, 0.0007272100000000 ] - [ -0.0000793800000000, 0.0000646000000000, 0.0001862900000000 ] - [ 0.0003499200000000, -0.0000020400000000, -0.0002125800000000 ] - [ 0.0000051200000000, -0.0001168500000000, -0.0002341000000000 ] - [ -0.0056577400000000, 0.0002500800000000, -0.0071774700000000 ] - [ 0.0000477500000000, -0.0000991100000000, -0.0000647500000000 ] - [ 0.0002896500000000, -0.0005502400000000, -0.0007731600000000 ] - [ 0.0061442100000000, -0.0037129500000000, -0.0024794800000000 ] - [ -0.0000714100000000, 0.0001125700000000, -0.0000311000000000 ] - [ 0.0000533600000000, 0.0001149800000000, -0.0000360900000000 ] - [ -0.0001700100000000, -0.0003001100000000, -0.0002096200000000 ] - [ 0.0014665000000000, 0.0004531900000000, -0.0001927900000000 ] - [ 0.0001399600000000, -0.0014669000000000, -0.0006302700000000 ] - [ 0.0000085200000000, -0.0000188400000000, -0.0000045500000000 ] - [ -0.0004707600000000, -0.0002982400000000, 0.0008675600000000 ] - [ -0.0000623300000000, -0.0001220300000000, -0.0000243400000000 ] - [ 0.0005491600000000, -0.0002755700000000, -0.0001638200000000 ] - [ 0.0000198300000000, 0.0001234600000000, -0.0002332400000000 ] - [ 0.1233161800000000, -0.0150000500000000, 0.0536791900000000 ] - [ 0.0000919900000000, -0.0000710200000000, -0.0002331300000000 ] - [ 0.0004741700000000, 0.0000531900000000, 0.0005271500000000 ] - [ 0.0000010900000000, -0.0002010400000000, 0.0000105200000000 ] - [ 0.0002454300000000, 0.0000591300000000, 0.0002409000000000 ] - [ 0.0040579200000000, 0.0004949700000000, -0.0009206100000000 ] - [ -0.0001167200000000, -0.0000469100000000, -0.0002383900000000 ] - [ 0.0000081300000000, -0.0000097600000000, -0.0000286600000000 ] - [ -0.0076302500000000, 0.0034456000000000, 0.0003939200000000 ] - [ -0.0000767100000000, 0.0000000200000000, 0.0003005200000000 ] - [ -0.0000879200000000, -0.0000182000000000, -0.0000526400000000 ] - [ -0.0003987600000000, 0.0002471800000000, 0.0011737900000000 ] - [ 0.0000304900000000, -0.0000612700000000, -0.0002724000000000 ] - [ 0.0000735300000000, 0.0052507300000000, -0.0000077400000000 ] - [ -0.0002884700000000, 0.0001027400000000, 0.0001704800000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000031100000000, -0.0000499500000000, -0.0000549400000000 ] - [ -0.0011589400000000, 0.0071864500000000, -0.0078011600000000 ] - [ 0.0002194900000000, -0.0020386500000000, 0.0025167000000000 ] - [ -0.0000790000000000, 0.0000060200000000, -0.0000566200000000 ] - [ 0.0000663000000000, 0.0000469700000000, -0.0000565100000000 ] - [ -0.0141355700000000, 0.0012709600000000, 0.0128230500000000 ] - [ 0.0000537900000000, -0.0000683600000000, -0.0003668300000000 ] - [ -0.0000623500000000, -0.0000111700000000, -0.0000082600000000 ] - [ -0.0111592100000000, 0.0185180700000000, -0.0141677300000000 ] - [ 0.0000669100000000, -0.0000688400000000, -0.0004178200000000 ] - [ -0.0004609700000000, 0.0001437200000000, 0.0001441700000000 ] - [ 0.0010366600000000, -0.0011650500000000, -0.0053291200000000 ] - [ 0.0000004100000000, -0.0000039000000000, 0.0003848100000000 ] - [ -0.0005034100000000, -0.0000207000000000, -0.0028736200000000 ] - [ -0.0001039000000000, -0.0000129300000000, -0.0000878800000000 ] - [ 0.0000470200000000, 0.0001104200000000, -0.0000828800000000 ] - [ 0.0130195000000000, 0.0073933000000000, 0.0053982000000000 ] - [ 0.0000239800000000, -0.0000614400000000, -0.0004664000000000 ] - [ -0.0021831300000000, 0.0044351100000000, 0.0001581500000000 ] - [ 0.0076105400000000, -0.0009676500000000, 0.0001389800000000 ] - [ 0.0003289400000000, -0.0002716100000000, 0.0006063500000000 ] - [ 0.0002801800000000, -0.0002793300000000, -0.0003400500000000 ] - [ 0.0000991600000000, -0.0002277800000000, 0.0000794800000000 ] - [ -0.0145389500000000, 0.0072379800000000, 0.0126696600000000 ] - [ 0.0001598000000000, -0.0012274400000000, -0.0009728000000000 ] - [ -0.0001192700000000, -0.0002455400000000, 0.0000285100000000 ] - [ -0.0000095100000000, 0.0000013200000000, -0.0002255200000000 ] - [ -0.0001529300000000, 0.0000204800000000, -0.0003926100000000 ] - [ -0.0004604400000000, 0.0020768900000000, -0.0006808800000000 ] - [ -0.0002632800000000, -0.0003192200000000, -0.0001978300000000 ] - [ -0.0000378400000000, 0.0000220800000000, -0.0002332000000000 ] - [ -0.0017699600000000, -0.0000390900000000, 0.0003240700000000 ] - [ 0.0000373400000000, -0.0001522400000000, 0.0000260400000000 ] - [ -0.0100919500000000, -0.0001456100000000, 0.0010930600000000 ] - [ 0.0002711000000000, 0.0000113500000000, 0.0000156200000000 ] - [ 0.0006005900000000, -0.0003052200000000, -0.0000383400000000 ] - [ -0.0001559400000000, 0.0002458700000000, 0.0000054100000000 ] - [ 0.0004374200000000, -0.0001689600000000, -0.0003773400000000 ] - [ 0.0000175600000000, 0.0000198900000000, -0.0003718600000000 ] - [ 0.0000628900000000, -0.0001011200000000, -0.0000725200000000 ] - [ -0.0259013800000000, -0.0157182400000000, -0.0012248100000000 ] - [ -0.0001276700000000, -0.0000086300000000, -0.0000650300000000 ] - [ 0.0008606100000000, 0.0002753300000000, -0.0003551100000000 ] - [ -0.0009421100000000, 0.0001907300000000, 0.0002440900000000 ] - [ 0.0000702800000000, -0.0001051900000000, -0.0000808700000000 ] - [ 0.0001990700000000, 0.0001289100000000, -0.0002751900000000 ] - [ -0.0129441900000000, -0.0167902100000000, -0.0162935500000000 ] - [ -0.0000592100000000, 0.0007085100000000, 0.0005023100000000 ] - [ 0.0003366800000000, -0.0000973900000000, 0.0006179000000000 ] - [ 0.0000031200000000, -0.0000012300000000, -0.0001987200000000 ] - [ 0.2765329500000000, -0.0415290900000000, -0.0002303700000000 ] - [ -0.0027591400000000, 0.0029434700000000, 0.0008374700000000 ] - [ -0.0008597700000000, -0.0003579900000000, -0.0004760400000000 ] - [ -0.0027576600000000, -0.0003788400000000, 0.0022231400000000 ] - [ -0.0027322000000000, -0.0066831700000000, 0.0012832200000000 ] - [ 0.0005895300000000, 0.0006604800000000, 0.0023970000000000 ] - [ -0.0001353400000000, 0.0002992200000000, 0.0000240500000000 ] - [ 0.0000735200000000, -0.0000455200000000, -0.0002881800000000 ] - [ 0.0006618900000000, 0.0013557500000000, 0.0012979600000000 ] - [ 0.0000611000000000, 0.0000956900000000, -0.0000890800000000 ] - [ 0.0001335500000000, 0.0004506400000000, -0.0002371800000000 ] - [ -0.0000510600000000, 0.0000540700000000, -0.0003488500000000 ] - [ -0.0001100000000000, -0.0000767400000000, -0.0003423000000000 ] - [ -0.0010764800000000, 0.0002356600000000, -0.0005426800000000 ] - [ -0.0036028700000000, -0.0024508500000000, 0.0006208000000000 ] - [ -0.0002157300000000, 0.0000220500000000, -0.0002622200000000 ] - [ -0.0011373100000000, -0.0001638000000000, 0.0001132100000000 ] - [ 0.0157306500000000, -0.0042498800000000, -0.0018624700000000 ] - [ -0.0007398500000000, 0.0001593400000000, 0.0000942800000000 ] - [ 0.0000571300000000, -0.0012283900000000, 0.0007539700000000 ] - [ 0.0000661400000000, 0.0000624000000000, 0.0002122300000000 ] - [ -0.0001084700000000, 0.0000589600000000, -0.0001799800000000 ] - [ 0.0003965300000000, -0.0001165900000000, -0.0003720100000000 ] - [ 0.0083777400000000, 0.0027519900000000, -0.0001180500000000 ] - [ 0.0001485800000000, 0.0000188100000000, 0.0000565800000000 ] - [ -0.0001399500000000, 0.0003664800000000, -0.0004628000000000 ] - [ 0.0001906300000000, -0.0007523500000000, -0.0003112600000000 ] - [ 0.0103194500000000, 0.0002308600000000, -0.0033866900000000 ] - [ 0.0000535300000000, -0.0000773300000000, -0.0000574600000000 ] - [ -0.0234578700000000, -0.0011833400000000, 0.0146244400000000 ] - [ 0.0007971300000000, -0.0014554700000000, -0.0001695700000000 ] - [ -0.0000952900000000, -0.0000533000000000, -0.0000590100000000 ] - [ 0.0034801900000000, -0.0029782600000000, -0.0001327700000000 ] - [ 0.0000940300000000, 0.0000693300000000, -0.0001833600000000 ] - [ -0.0001062700000000, 0.0001240900000000, 0.0003505800000000 ] - [ -0.0009958100000000, 0.0009557300000000, 0.0004890500000000 ] - [ 0.0000187900000000, -0.0000615700000000, 0.0003397500000000 ] - [ -0.0032669200000000, 0.0091451900000000, 0.0019529000000000 ] - [ 0.0001409800000000, -0.0001125700000000, -0.0001198400000000 ] - [ 0.0003986700000000, 0.0001162500000000, 0.0001275600000000 ] - [ -0.0008937700000000, 0.0002234800000000, -0.0003985100000000 ] - [ -0.0001103400000000, -0.0000659900000000, -0.0002363100000000 ] - [ -0.0000548800000000, 0.0000058900000000, 0.0004832100000000 ] - [ 0.0022572200000000, 0.0006285400000000, -0.0004070500000000 ] - [ 0.0006853600000000, 0.0013369600000000, -0.0056022800000000 ] - [ 0.0013918500000000, -0.0032252900000000, -0.0048679300000000 ] - [ -0.0037761100000000, -0.0034871100000000, 0.0053102200000000 ] - [ 0.0050420900000000, 0.0026376400000000, 0.0066231400000000 ] - [ 0.0000086000000000, 0.0000588000000000, 0.0000710400000000 ] - [ -0.0000710000000000, -0.0000044400000000, -0.0000032200000000 ] - [ 0.0020876900000000, 0.0005041900000000, 0.0002275400000000 ] - [ 0.0000528900000000, 0.0005227800000000, -0.0000787400000000 ] - [ -0.0009810800000000, 0.0007574900000000, -0.0012393200000000 ] - [ 0.0000448400000000, -0.0001017700000000, -0.0000090000000000 ] - [ 0.0003745500000000, -0.0005600100000000, 0.0012099000000000 ] - [ 0.0000570500000000, 0.0000835800000000, 0.0000143900000000 ] - [ 0.0005422200000000, -0.0006698400000000, -0.0007126000000000 ] - [ 0.0009104800000000, -0.0018413300000000, 0.0006289800000000 ] - [ 0.0000439900000000, -0.0004366000000000, 0.0009805400000000 ] - [ 0.0001409700000000, 0.0000196300000000, -0.0000888700000000 ] - [ 0.0001117900000000, -0.0001771600000000, 0.0001092900000000 ] - [ -0.0000941900000000, -0.0002766500000000, -0.0001437800000000 ] - [ 0.0000532300000000, -0.0000583900000000, 0.0004699900000000 ] - [ -0.0604551700000000, 0.0481745100000000, 0.0314703900000000 ] - [ -0.0002806400000000, -0.0001494800000000, 0.0004594500000000 ] - [ 0.0000662600000000, -0.0000460100000000, -0.0000628100000000 ] - [ -0.0409760500000000, -0.0230830200000000, 0.0044055900000000 ] - [ 0.0000088000000000, 0.0000009700000000, 0.0000754200000000 ] - [ -0.0001631000000000, 0.0005655800000000, 0.0000354900000000 ] - [ 0.0002268300000000, 0.0054918200000000, -0.0000621700000000 ] - [ -0.0001977000000000, 0.0002850100000000, 0.0002429700000000 ] - [ 0.0002135300000000, -0.0000481900000000, 0.0003210000000000 ] - [ -0.0003070000000000, -0.0002769900000000, 0.0001732000000000 ] - [ 0.0027779200000000, -0.0005925600000000, -0.0010732400000000 ] - [ -0.0000088100000000, -0.0000093400000000, 0.0000182800000000 ] - [ 0.0010238900000000, 0.0014010800000000, 0.0014832600000000 ] - [ 0.0003589500000000, -0.0001438300000000, 0.0004747300000000 ] - [ -0.0004150200000000, -0.0005452700000000, 0.0004081600000000 ] - [ 0.0037267100000000, 0.0036607600000000, -0.0006778800000000 ] - [ -0.0001707800000000, 0.0003019000000000, -0.0001564100000000 ] - [ 0.0000021300000000, 0.0000473900000000, 0.0004609800000000 ] - [ -0.0027440000000000, -0.0070674400000000, 0.0003402200000000 ] - [ 0.0009445100000000, 0.0000335300000000, 0.0005015000000000 ] - [ -0.0000101000000000, -0.0001026800000000, -0.0000931200000000 ] - [ -0.0001415300000000, 0.0000329800000000, 0.0000816200000000 ] - [ 0.0002359000000000, 0.0019178600000000, -0.0009350400000000 ] - [ 0.0001590100000000, 0.0000542000000000, -0.0003984300000000 ] - [ 0.0001240400000000, -0.0000063600000000, 0.0000168800000000 ] - [ -0.0000497300000000, -0.0000156300000000, 0.0000788500000000 ] - [ 0.0002125100000000, -0.0012573800000000, 0.0000423500000000 ] - [ -0.0001065500000000, 0.0001163200000000, 0.0001730300000000 ] - [ 0.0006710900000000, 0.0003911900000000, -0.0008496100000000 ] - [ -0.0001356100000000, 0.0000485700000000, 0.0002274700000000 ] - [ 0.0003472500000000, 0.0000072600000000, -0.0001536800000000 ] - [ 0.0000096100000000, -0.0001236900000000, -0.0001806200000000 ] - [ 0.0056925600000000, -0.0002453900000000, 0.0069003100000000 ] - [ 0.0000698300000000, 0.0001015800000000, -0.0003055100000000 ] - [ -0.0001806900000000, 0.0003707600000000, 0.0008420500000000 ] - [ -0.0062733100000000, 0.0034563300000000, 0.0027325200000000 ] - [ -0.0000591000000000, 0.0001100100000000, 0.0000184300000000 ] - [ 0.0000463000000000, 0.0000685800000000, -0.0000319600000000 ] - [ -0.0001772500000000, -0.0003012800000000, -0.0001546800000000 ] - [ -0.0018969200000000, -0.0011666800000000, 0.0005031100000000 ] - [ 0.0006644400000000, 0.0014735900000000, 0.0009593200000000 ] - [ 0.0000208400000000, -0.0000307800000000, 0.0000895200000000 ] - [ 0.0004982600000000, 0.0002484400000000, -0.0009522200000000 ] - [ -0.0000682000000000, -0.0001041700000000, 0.0000131400000000 ] - [ -0.0007582900000000, 0.0002793700000000, 0.0002325700000000 ] - [ -0.0000001400000000, 0.0001177500000000, -0.0001838000000000 ] - [ -0.1165106100000000, 0.0141727900000000, -0.0494285700000000 ] - [ 0.0001129300000000, -0.0000595000000000, -0.0001778500000000 ] - [ -0.0003809900000000, 0.0001719700000000, -0.0006724300000000 ] - [ -0.0001478300000000, -0.0000541500000000, -0.0002766400000000 ] - [ -0.0000476700000000, 0.0000780100000000, 0.0001769100000000 ] - [ -0.0033882100000000, -0.0005088900000000, 0.0009114900000000 ] - [ -0.0000989700000000, -0.0000604300000000, -0.0001762000000000 ] - [ -0.0000093100000000, 0.0000078000000000, 0.0000297200000000 ] - [ 0.0074122900000000, -0.0034880100000000, -0.0002866100000000 ] - [ 0.0000912500000000, -0.0002399800000000, 0.0001158800000000 ] - [ -0.0001225700000000, 0.0000238600000000, -0.0000144000000000 ] - [ 0.0005061600000000, -0.0000716200000000, -0.0011049700000000 ] - [ -0.0000858200000000, 0.0001650500000000, -0.0000982500000000 ] - [ -0.0003036100000000, -0.0051726700000000, 0.0001306200000000 ] - [ 0.0001579800000000, 0.0001210800000000, -0.0001565900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000296300000000, -0.0000477200000000, 0.0031854100000000 ] - [ 0.0076662600000000, -0.0100018500000000, -0.0074333200000000 ] - [ -0.0010243300000000, -0.0017741900000000, 0.0003643800000000 ] - [ -0.0000561400000000, 0.0000018000000000, 0.0031854100000000 ] - [ 0.0000272900000000, 0.0000472700000000, 0.0032962800000000 ] - [ -0.0124949800000000, 0.0016382500000000, -0.0074333200000000 ] - [ 0.0002099200000000, 0.0003636000000000, 0.0018061600000000 ] - [ 0.0001330900000000, -0.0000099100000000, 0.0026115800000000 ] - [ 0.0102715100000000, -0.0084620200000000, 0.0033908300000000 ] - [ -0.0000601400000000, -0.0001041600000000, 0.0019550200000000 ] - [ -0.0002246900000000, -0.0001817300000000, 0.0019420500000000 ] - [ 0.0047732400000000, 0.0014073300000000, 0.0004965800000000 ] - [ 0.0000037300000000, 0.0000064700000000, 0.0028167600000000 ] - [ 0.0010421000000000, -0.0000606100000000, 0.0023798800000000 ] - [ -0.0003085900000000, 0.0000250500000000, 0.0021493900000000 ] - [ 0.0001929500000000, 0.0003400800000000, 0.0020605400000000 ] - [ 0.0004330200000000, 0.0144807100000000, 0.0033194200000000 ] - [ 0.0004314100000000, -0.0000349500000000, 0.0019282400000000 ] - [ -0.0006203800000000, 0.0001838000000000, -0.0021076100000000 ] - [ -0.0004496600000000, -0.0007788400000000, 0.0133903700000000 ] - [ -0.0019511300000000, -0.0017227900000000, 0.0032057000000000 ] - [ -0.0000594500000000, -0.0001029800000000, 0.0025438100000000 ] - [ -0.0005164100000000, -0.0025511200000000, 0.0032057000000000 ] - [ -0.0124640800000000, 0.0046643800000000, 0.0033908300000000 ] - [ 0.0016638100000000, 0.0028818000000000, 0.0033111000000000 ] - [ -0.0000504400000000, -0.0000873600000000, 0.0022362000000000 ] - [ -0.0000173000000000, 0.0000017500000000, 0.0022632100000000 ] - [ -0.0001437100000000, -0.0000712100000000, 0.0015210500000000 ] - [ 0.0011570200000000, -0.0026865200000000, 0.0025958500000000 ] - [ 0.0003368600000000, 0.0003093600000000, 0.0020175000000000 ] - [ -0.0001091800000000, 0.0000276200000000, 0.0020912300000000 ] - [ 0.0001905600000000, 0.0001145800000000, 0.0009261400000000 ] - [ 0.0000994800000000, 0.0004464000000000, 0.0020175000000000 ] - [ 0.0004693700000000, -0.0004453700000000, -0.0021076100000000 ] - [ 0.0000393900000000, 0.0000209500000000, 0.0021345300000000 ] - [ -0.0011678300000000, 0.0048374100000000, 0.0004965800000000 ] - [ -0.0000015500000000, 0.0000445900000000, 0.0021345300000000 ] - [ 0.0000892300000000, -0.0003672700000000, 0.0025608000000000 ] - [ 0.0000785100000000, -0.0000807500000000, 0.0020912300000000 ] - [ 0.0001759900000000, -0.0002547200000000, 0.0021493900000000 ] - [ -0.0005731800000000, 0.0009773100000000, -0.0127110200000000 ] - [ -0.0004058800000000, -0.0000531000000000, 0.0020808200000000 ] - [ 0.0030551500000000, -0.0004239700000000, 0.0029343200000000 ] - [ 0.0000039500000000, 0.0002223200000000, 0.0009261400000000 ] - [ 0.0001569500000000, -0.0003780500000000, 0.0020808200000000 ] - [ 0.0001635200000000, 0.0002832200000000, 0.0026981100000000 ] - [ 0.0123241600000000, 0.0076153600000000, 0.0033194200000000 ] - [ -0.0018947500000000, 0.0024338500000000, 0.0029343200000000 ] - [ -0.0003626800000000, -0.0001063600000000, 0.0025608000000000 ] - [ 0.0000101600000000, -0.0000141100000000, 0.0022632100000000 ] - [ -0.0037449500000000, -0.0064864500000000, -0.2863927600000000 ] - [ 0.0007945300000000, 0.0001221100000000, -0.0069788900000000 ] - [ -0.0001409600000000, 0.0003200400000000, -0.0022412200000000 ] - [ -0.0029051000000000, -0.0003412500000000, 0.0025958500000000 ] - [ 0.0004587400000000, 0.0007945500000000, -0.0085462000000000 ] - [ -0.0005735400000000, 0.0008721800000000, 0.0023798800000000 ] - [ -0.0000450300000000, -0.0002854500000000, 0.0019420500000000 ] - [ -0.0001892600000000, -0.0003278000000000, 0.0020951500000000 ] - [ 0.0016357100000000, 0.0028331300000000, 0.0267121500000000 ] - [ 0.0001980400000000, 0.0003371400000000, 0.0020605400000000 ] - [ 0.0006583700000000, -0.0002028000000000, 0.0018845200000000 ] - [ -0.0002459800000000, 0.0003561400000000, 0.0019282400000000 ] - [ 0.0000101800000000, -0.0001600600000000, 0.0015210500000000 ] - [ 0.0003476400000000, 0.0000379500000000, -0.0022412200000000 ] - [ -0.0002915200000000, 0.0007491400000000, -0.0069788900000000 ] - [ -0.0000709200000000, -0.0001301400000000, 0.0014614200000000 ] - [ -0.0000772500000000, -0.0001264900000000, 0.0014614200000000 ] - [ 0.0011329600000000, -0.0000077300000000, -0.0127110200000000 ] - [ -0.0005048100000000, 0.0004687600000000, 0.0018845200000000 ] - [ -0.0004299300000000, -0.0007446700000000, -0.0013764100000000 ] - [ -0.0000751200000000, 0.0001103100000000, 0.0026115800000000 ] - [ -0.0001864700000000, -0.0000518000000000, -0.0017743500000000 ] - [ 0.0000181600000000, -0.0001057600000000, -0.0016745600000000 ] - [ -0.0030902300000000, -0.0020001900000000, 0.0038781400000000 ] - [ -0.0002483800000000, 0.0003144300000000, -0.0013317900000000 ] - [ 0.0009650600000000, 0.0016715400000000, -0.0012913300000000 ] - [ 0.0001257200000000, -0.0001767100000000, -0.0010570600000000 ] - [ 0.0030733600000000, 0.0022641700000000, 0.0035464400000000 ] - [ 0.0001095300000000, -0.0000011900000000, -0.0016426100000000 ] - [ -0.0137994100000000, -0.0239012800000000, 0.1471581000000000 ] - [ 0.0000465400000000, -0.0001843300000000, 0.0044366800000000 ] - [ -0.0004699700000000, -0.0004194100000000, -0.0021359800000000 ] - [ 0.0033386800000000, -0.0020273000000000, 0.0038213300000000 ] - [ 0.0000169100000000, 0.0002034900000000, -0.0018176200000000 ] - [ -0.0002828900000000, 0.0001400500000000, -0.0015504500000000 ] - [ 0.0000248200000000, -0.0015622300000000, 0.0001420000000000 ] - [ -0.0001359700000000, -0.0001446000000000, -0.0013051900000000 ] - [ -0.0035344400000000, -0.0061218400000000, 0.0053990300000000 ] - [ 0.0003964900000000, -0.0000578900000000, -0.0013317900000000 ] - [ 0.0002458300000000, 0.0000548100000000, -0.0013096800000000 ] - [ 0.0000874000000000, 0.0001513700000000, -0.0033683700000000 ] - [ -0.0001282300000000, -0.0006167100000000, -0.0021359800000000 ] - [ -0.0000400900000000, 0.0000137100000000, -0.0012567100000000 ] - [ 0.0003513700000000, 0.0003850900000000, 0.0003698100000000 ] - [ 0.0047238600000000, 0.0006041000000000, -0.0039732200000000 ] - [ 0.0013345000000000, -0.0019404400000000, -0.0006522000000000 ] - [ -0.0018387700000000, 0.0043930300000000, -0.0039732200000000 ] - [ -0.0041444900000000, -0.0027349400000000, 0.0047842200000000 ] - [ -0.0000451400000000, -0.0000781900000000, -0.0015633200000000 ] - [ 0.0000026000000000, -0.0000001600000000, -0.0015315100000000 ] - [ -0.0001829100000000, -0.0000518600000000, 0.0044366800000000 ] - [ -0.0000590500000000, -0.0001022800000000, -0.0012629600000000 ] - [ -0.0029887100000000, 0.0034701300000000, -0.0069240200000000 ] - [ -0.0000014400000000, 0.0000021700000000, -0.0015315100000000 ] - [ -0.0014094300000000, 0.0001006300000000, -0.0010161900000000 ] - [ -0.0000683700000000, 0.0000710600000000, -0.0016049700000000 ] - [ 0.0005255800000000, -0.0004643600000000, 0.0000892500000000 ] - [ -0.0007258100000000, 0.0005708200000000, 0.0004941200000000 ] - [ -0.0005540800000000, 0.0004457500000000, -0.0017977200000000 ] - [ 0.0000484600000000, -0.0002706200000000, -0.0013143100000000 ] - [ 0.0000736000000000, 0.0000894200000000, -0.0012604700000000 ] - [ 0.0007918600000000, -0.0011702900000000, -0.0010161900000000 ] - [ 0.0000319200000000, -0.0000278600000000, -0.0012567100000000 ] - [ -0.0332133700000000, 0.0433163500000000, 0.0491940900000000 ] - [ -0.0003392100000000, 0.0009667700000000, 0.0000976700000000 ] - [ 0.0009414000000000, -0.0000499900000000, -0.0019125900000000 ] - [ -0.0038021400000000, -0.0065854900000000, 0.0230993100000000 ] - [ -0.0000258300000000, 0.0000000400000000, -0.0023545900000000 ] - [ -0.0001749900000000, -0.0008691300000000, 0.0005978600000000 ] - [ -0.0004878400000000, 0.0003083000000000, 0.0032363200000000 ] - [ -0.0000754500000000, 0.0002403000000000, -0.0013096800000000 ] - [ 0.0000526900000000, 0.0000250400000000, -0.0013131500000000 ] - [ -0.0000046000000000, -0.0000079600000000, -0.0015355200000000 ] - [ 0.0008572500000000, -0.0003431500000000, 0.0004941200000000 ] - [ 0.0000129500000000, -0.0000223500000000, -0.0023545900000000 ] - [ -0.0013653400000000, -0.0007596200000000, 0.0001420000000000 ] - [ -0.0006649400000000, 0.0002229800000000, 0.0000892500000000 ] - [ 0.0000579100000000, 0.0007025700000000, -0.0018256300000000 ] - [ 0.0005109200000000, -0.0002683400000000, 0.0032363200000000 ] - [ -0.0002562500000000, 0.0004394800000000, -0.0017416900000000 ] - [ 0.0000091800000000, 0.0000159000000000, -0.0014962700000000 ] - [ 0.0004241500000000, 0.0037936900000000, 0.0035464400000000 ] - [ -0.0002159000000000, 0.0000205200000000, -0.0010570600000000 ] - [ -0.0002585900000000, -0.0000933400000000, -0.0013143100000000 ] - [ -0.0001301700000000, -0.0002254500000000, -0.0012942600000000 ] - [ 0.0012749700000000, 0.0022083100000000, 0.0047680300000000 ] - [ -0.0001006700000000, -0.0000371600000000, -0.0016745600000000 ] - [ 0.0001564600000000, -0.0000082700000000, -0.0013094400000000 ] - [ 0.0000821400000000, -0.0000998700000000, -0.0016198800000000 ] - [ 0.0001578200000000, 0.0004968400000000, 0.0003698100000000 ] - [ -0.0005140000000000, 0.0007902800000000, -0.0019125900000000 ] - [ 0.0010068500000000, 0.0001896200000000, 0.0000976700000000 ] - [ -0.0000046600000000, 0.0000581500000000, -0.0013131500000000 ] - [ 0.0005087300000000, -0.0000021800000000, -0.0017416900000000 ] - [ 0.0001433200000000, -0.0001129500000000, -0.0017736500000000 ] - [ -0.0023477300000000, 0.0001854900000000, -0.0006522000000000 ] - [ 0.0004246200000000, 0.0002861200000000, -0.0014501100000000 ] - [ -0.0006338300000000, -0.0003597600000000, -0.0019074400000000 ] - [ -0.0024000700000000, -0.0041570400000000, -0.0043592100000000 ] - [ -0.0000853900000000, 0.0001313600000000, -0.0013094400000000 ] - [ 0.0000957300000000, -0.0000236800000000, -0.0016049700000000 ] - [ -0.0002659500000000, -0.0004606400000000, -0.0017781800000000 ] - [ -0.0035059900000000, -0.0060725500000000, -0.0037890200000000 ] - [ -0.0006652000000000, -0.0005861100000000, 0.0005978600000000 ] - [ -0.0001275600000000, 0.0000212000000000, -0.0016198800000000 ] - [ 0.0005794900000000, 0.0004014300000000, -0.0018256300000000 ] - [ -0.0000701900000000, -0.0001215700000000, -0.0013201500000000 ] - [ 0.0000053600000000, -0.0007287900000000, -0.0019074400000000 ] - [ 0.0001677700000000, 0.0001163900000000, -0.0018176200000000 ] - [ 0.0541197400000000, -0.0071054400000000, 0.0491940900000000 ] - [ 0.0000483800000000, -0.0001873800000000, -0.0017743500000000 ] - [ 0.0044995700000000, -0.0008532300000000, -0.0069240200000000 ] - [ 0.0001645200000000, 0.0002849600000000, -0.0024045300000000 ] - [ 0.0002627300000000, -0.0001749700000000, -0.0015504500000000 ] - [ -0.0002962900000000, -0.0049567000000000, 0.0047842200000000 ] - [ -0.0001694800000000, 0.0000676400000000, -0.0017736500000000 ] - [ 0.0000114200000000, 0.0000197700000000, -0.0023076300000000 ] - [ -0.0034250300000000, 0.0018777400000000, 0.0038213300000000 ] - [ -0.0000572400000000, -0.0001900600000000, -0.0013051900000000 ] - [ -0.0000557900000000, 0.0000942600000000, -0.0016426100000000 ] - [ 0.0006630700000000, -0.0002569700000000, -0.0017977200000000 ] - [ 0.0000354800000000, 0.0005107900000000, -0.0014501100000000 ] - [ -0.0001871000000000, -0.0036763100000000, 0.0038781400000000 ] - [ 0.0000406400000000, 0.0001084500000000, -0.0012604700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000287400000000, -0.0000524000000000, -0.0031787900000000 ] - [ -0.0076705300000000, 0.0100174000000000, 0.0074688900000000 ] - [ 0.0010130700000000, 0.0017546900000000, 0.0000239100000000 ] - [ -0.0000597500000000, -0.0000013100000000, -0.0031787900000000 ] - [ 0.0000319900000000, 0.0000554100000000, -0.0032883900000000 ] - [ 0.0125105900000000, -0.0016341800000000, 0.0074688900000000 ] - [ -0.0002106200000000, -0.0003648000000000, -0.0022080200000000 ] - [ -0.0001382700000000, 0.0000079600000000, -0.0022694800000000 ] - [ -0.0105178500000000, 0.0088638600000000, -0.0036733800000000 ] - [ 0.0000576500000000, 0.0000998500000000, -0.0027953200000000 ] - [ 0.0003689900000000, 0.0003772000000000, -0.0018597900000000 ] - [ -0.0048087800000000, -0.0013701000000000, -0.0000764800000000 ] - [ -0.0000056100000000, -0.0000097200000000, -0.0019663300000000 ] - [ -0.0010272100000000, 0.0000660500000000, -0.0017597500000000 ] - [ 0.0000596900000000, -0.0000503900000000, -0.0022237300000000 ] - [ -0.0000969100000000, -0.0001134500000000, -0.0021362700000000 ] - [ -0.0006659800000000, -0.0139224300000000, -0.0036022300000000 ] - [ -0.0003642300000000, -0.0000805600000000, -0.0025497300000000 ] - [ 0.0003024000000000, -0.0006050500000000, 0.0018739400000000 ] - [ 0.0005258700000000, 0.0009108300000000, -0.0125716600000000 ] - [ 0.0024707600000000, 0.0017899100000000, -0.0030011400000000 ] - [ -0.0002164200000000, -0.0003748500000000, -0.0026338800000000 ] - [ 0.0003147300000000, 0.0030346900000000, -0.0030011400000000 ] - [ 0.0129352600000000, -0.0046768000000000, -0.0036733800000000 ] - [ -0.0015765100000000, -0.0027306000000000, -0.0026701400000000 ] - [ -0.0002275500000000, -0.0003941200000000, -0.0021324000000000 ] - [ 0.0000104600000000, -0.0000037800000000, -0.0025947800000000 ] - [ -0.0000170100000000, 0.0000652100000000, -0.0021698800000000 ] - [ -0.0012735300000000, 0.0026499800000000, -0.0019613400000000 ] - [ -0.0005722400000000, -0.0002845200000000, -0.0019358300000000 ] - [ 0.0001105400000000, -0.0000233100000000, -0.0027105900000000 ] - [ -0.0001138900000000, -0.0002563400000000, -0.0002833300000000 ] - [ 0.0000397200000000, -0.0006378300000000, -0.0019358300000000 ] - [ -0.0006751900000000, -0.0000406400000000, 0.0018739400000000 ] - [ 0.0005183200000000, -0.0000217000000000, -0.0020287500000000 ] - [ 0.0012178500000000, -0.0048495800000000, -0.0000764800000000 ] - [ -0.0002779500000000, 0.0004380300000000, -0.0020287500000000 ] - [ 0.0000152300000000, 0.0001346400000000, -0.0024719300000000 ] - [ -0.0000754500000000, 0.0000840800000000, -0.0027105900000000 ] - [ -0.0000734800000000, 0.0000265000000000, -0.0022237300000000 ] - [ 0.0006724900000000, -0.0009015100000000, 0.0123159200000000 ] - [ 0.0001666100000000, 0.0000747500000000, -0.0021552900000000 ] - [ -0.0025334100000000, 0.0003573200000000, -0.0027328700000000 ] - [ -0.0001650600000000, -0.0002268000000000, -0.0002833300000000 ] - [ -0.0000185700000000, 0.0001816600000000, -0.0021552900000000 ] - [ -0.0000840700000000, -0.0001456100000000, -0.0033456600000000 ] - [ -0.0117241900000000, -0.0075379800000000, -0.0036022300000000 ] - [ 0.0015761500000000, -0.0020153400000000, -0.0027328700000000 ] - [ 0.0001089900000000, 0.0000805100000000, -0.0024719300000000 ] - [ -0.0000085100000000, 0.0000071700000000, -0.0025947800000000 ] - [ 0.0015734200000000, 0.0027252500000000, 0.2969514200000000 ] - [ -0.0009809500000000, -0.0001224300000000, 0.0075513900000000 ] - [ 0.0002370300000000, -0.0004876100000000, 0.0016790800000000 ] - [ 0.0029317200000000, 0.0002220800000000, -0.0019613400000000 ] - [ -0.0004765500000000, -0.0008254100000000, 0.0081309300000000 ] - [ 0.0005708000000000, -0.0008565600000000, -0.0017597500000000 ] - [ 0.0001421700000000, 0.0005081500000000, -0.0018597900000000 ] - [ 0.0002559700000000, 0.0004433500000000, -0.0027154700000000 ] - [ -0.0014958600000000, -0.0025909100000000, -0.0274746000000000 ] - [ -0.0000497900000000, -0.0001406500000000, -0.0021362700000000 ] - [ -0.0000978400000000, 0.0001990800000000, -0.0019836700000000 ] - [ 0.0001123500000000, -0.0003557100000000, -0.0025497300000000 ] - [ 0.0000649700000000, 0.0000178800000000, -0.0021698800000000 ] - [ -0.0005408000000000, -0.0000385200000000, 0.0016790800000000 ] - [ 0.0003844500000000, -0.0009107400000000, 0.0075513900000000 ] - [ -0.0002465900000000, -0.0002898900000000, -0.0012610200000000 ] - [ -0.0001277500000000, -0.0003585000000000, -0.0012610200000000 ] - [ -0.0011169700000000, 0.0001316400000000, 0.0123159200000000 ] - [ 0.0002213300000000, 0.0000148100000000, -0.0019836700000000 ] - [ 0.0004067900000000, 0.0007045700000000, 0.0018048400000000 ] - [ 0.0000760300000000, -0.0001157600000000, -0.0022694800000000 ] - [ -0.0000290500000000, 0.0001638600000000, 0.0013594200000000 ] - [ 0.0000440800000000, -0.0000037700000000, 0.0008076900000000 ] - [ 0.0032664300000000, 0.0018320500000000, -0.0037375900000000 ] - [ 0.0001012700000000, -0.0000587100000000, 0.0010633400000000 ] - [ -0.0009819600000000, -0.0017008100000000, 0.0007466700000000 ] - [ -0.0000255400000000, -0.0000098900000000, 0.0011278800000000 ] - [ -0.0031106800000000, -0.0022271800000000, -0.0029791300000000 ] - [ 0.0000002500000000, -0.0001782000000000, 0.0015713400000000 ] - [ 0.0152925900000000, 0.0264875500000000, -0.1570855400000000 ] - [ -0.0004948000000000, 0.0001825200000000, -0.0044438500000000 ] - [ 0.0005843900000000, 0.0004145100000000, 0.0017631900000000 ] - [ -0.0032833000000000, 0.0018123100000000, -0.0036847900000000 ] - [ 0.0001820800000000, -0.0000659000000000, 0.0013965500000000 ] - [ 0.0003000400000000, 0.0001000300000000, 0.0019616400000000 ] - [ -0.0000777600000000, 0.0016504600000000, 0.0002426000000000 ] - [ -0.0000799800000000, 0.0000374500000000, 0.0017180200000000 ] - [ 0.0035238300000000, 0.0061034500000000, -0.0048163200000000 ] - [ -0.0001014800000000, 0.0000583500000000, 0.0010633400000000 ] - [ 0.0004517300000000, -0.0000489400000000, 0.0016726900000000 ] - [ -0.0000256000000000, -0.0000443500000000, 0.0024817500000000 ] - [ 0.0000667800000000, 0.0007133500000000, 0.0017631900000000 ] - [ -0.0000874400000000, -0.0000161200000000, 0.0021220900000000 ] - [ -0.0003920700000000, -0.0004832000000000, 0.0000129900000000 ] - [ -0.0045406100000000, -0.0006168900000000, 0.0043179400000000 ] - [ -0.0013277500000000, 0.0019327800000000, 0.0003687100000000 ] - [ 0.0017360600000000, -0.0042407300000000, 0.0043179400000000 ] - [ 0.0038366600000000, 0.0033211100000000, -0.0048132500000000 ] - [ 0.0000751800000000, 0.0001302200000000, 0.0016443000000000 ] - [ -0.0002152100000000, -0.0000047000000000, 0.0014605100000000 ] - [ 0.0004054600000000, -0.0003372500000000, -0.0044438500000000 ] - [ 0.0000878700000000, 0.0001522000000000, 0.0011795300000000 ] - [ 0.0031302400000000, -0.0032928600000000, 0.0067768100000000 ] - [ 0.0001035300000000, -0.0001887300000000, 0.0014605100000000 ] - [ 0.0013953100000000, -0.0000738200000000, 0.0004754200000000 ] - [ 0.0001774000000000, 0.0001060500000000, 0.0015326000000000 ] - [ -0.0007555600000000, 0.0004151300000000, -0.0002224200000000 ] - [ 0.0010119600000000, -0.0005632900000000, -0.0002120500000000 ] - [ 0.0006437300000000, -0.0002600600000000, 0.0018596300000000 ] - [ -0.0000961000000000, 0.0001704100000000, 0.0009422800000000 ] - [ 0.0001848300000000, -0.0000893500000000, 0.0012696200000000 ] - [ -0.0007615800000000, 0.0011714600000000, 0.0004754200000000 ] - [ 0.0000297600000000, -0.0000837900000000, 0.0021220900000000 ] - [ 0.0324347000000000, -0.0418692000000000, -0.0489084400000000 ] - [ 0.0001081300000000, -0.0009171000000000, -0.0002335300000000 ] - [ -0.0009410000000000, 0.0000517100000000, 0.0022269000000000 ] - [ 0.0035662100000000, 0.0061768500000000, -0.0235626600000000 ] - [ 0.0000247100000000, -0.0000010500000000, 0.0023492700000000 ] - [ -0.0002330300000000, 0.0015689000000000, -0.0002837200000000 ] - [ 0.0000827400000000, 0.0003590200000000, -0.0035537800000000 ] - [ -0.0002682500000000, 0.0003667400000000, 0.0016726900000000 ] - [ 0.0001516400000000, -0.0001548900000000, 0.0017233100000000 ] - [ -0.0003414200000000, -0.0005913700000000, 0.0018919900000000 ] - [ -0.0009938100000000, 0.0005947300000000, -0.0002120500000000 ] - [ -0.0000132600000000, 0.0000208800000000, 0.0023492700000000 ] - [ 0.0014682200000000, 0.0007578900000000, 0.0002426000000000 ] - [ 0.0007372900000000, -0.0004467700000000, -0.0002224200000000 ] - [ -0.0001130200000000, -0.0006938900000000, 0.0017356300000000 ] - [ 0.0002695500000000, 0.0002511600000000, -0.0035537800000000 ] - [ -0.0000880600000000, 0.0001674500000000, 0.0013719100000000 ] - [ 0.0000510500000000, 0.0000884200000000, 0.0023613000000000 ] - [ -0.0003734600000000, -0.0038075200000000, -0.0029791300000000 ] - [ 0.0000042000000000, -0.0000270600000000, 0.0011278800000000 ] - [ 0.0001956300000000, 0.0000019800000000, 0.0009422800000000 ] - [ -0.0000019700000000, -0.0000034100000000, 0.0013034700000000 ] - [ -0.0015980700000000, -0.0027679400000000, -0.0047786100000000 ] - [ -0.0000253000000000, 0.0000362900000000, 0.0008076900000000 ] - [ 0.0001015500000000, 0.0000066800000000, 0.0012951100000000 ] - [ -0.0001387000000000, 0.0001009400000000, 0.0016999700000000 ] - [ -0.0002224200000000, -0.0005811400000000, 0.0000129900000000 ] - [ 0.0005152800000000, -0.0007890700000000, 0.0022269000000000 ] - [ -0.0008483000000000, -0.0003649100000000, -0.0002335300000000 ] - [ -0.0002099600000000, 0.0000538800000000, 0.0017233100000000 ] - [ 0.0001890500000000, 0.0000074600000000, 0.0013719100000000 ] - [ -0.0001282200000000, -0.0001275400000000, 0.0013551500000000 ] - [ 0.0023377100000000, -0.0001834800000000, 0.0003687100000000 ] - [ -0.0003084100000000, -0.0002824600000000, 0.0010743700000000 ] - [ 0.0007328700000000, 0.0001776400000000, 0.0019681000000000 ] - [ 0.0022170300000000, 0.0038400000000000, 0.0046052700000000 ] - [ -0.0000450000000000, 0.0000912900000000, 0.0012951100000000 ] - [ 0.0000031400000000, 0.0002066600000000, 0.0015326000000000 ] - [ -0.0000814700000000, -0.0001411100000000, 0.0014103600000000 ] - [ 0.0031089500000000, 0.0053848600000000, 0.0041253600000000 ] - [ 0.0014752200000000, 0.0005826400000000, -0.0002837200000000 ] - [ 0.0001567600000000, -0.0000696400000000, 0.0016999700000000 ] - [ -0.0005444200000000, -0.0004448200000000, 0.0017356300000000 ] - [ -0.0000603900000000, -0.0001046000000000, 0.0013070300000000 ] - [ -0.0002126000000000, 0.0007235000000000, 0.0019681000000000 ] - [ -0.0001481100000000, 0.0001247400000000, 0.0013965500000000 ] - [ -0.0524771400000000, 0.0071546700000000, -0.0489084400000000 ] - [ 0.0001564300000000, 0.0000567700000000, 0.0013594200000000 ] - [ -0.0044168200000000, 0.0010644400000000, 0.0067768100000000 ] - [ -0.0003126300000000, -0.0005415000000000, 0.0021355600000000 ] - [ -0.0000633900000000, 0.0003098500000000, 0.0019616400000000 ] - [ 0.0009578400000000, 0.0049832000000000, -0.0048132500000000 ] - [ -0.0000463500000000, -0.0001748100000000, 0.0013551500000000 ] - [ -0.0000123800000000, -0.0000214400000000, 0.0023026900000000 ] - [ 0.0032111600000000, -0.0019372700000000, -0.0036847900000000 ] - [ 0.0000724300000000, -0.0000505400000000, 0.0017180200000000 ] - [ -0.0001544500000000, -0.0000888900000000, 0.0015713400000000 ] - [ -0.0005470800000000, 0.0004274600000000, 0.0018596300000000 ] - [ -0.0000904100000000, -0.0004083200000000, 0.0010743700000000 ] - [ -0.0000466100000000, 0.0037448400000000, -0.0037375900000000 ] - [ -0.0001697900000000, 0.0001154000000000, 0.0012696200000000 ]- atom: 72 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028916400000000, -0.0003659200000000, -0.0017807100000000 ] - [ 0.0000346000000000, -0.0000080000000000, -0.0000612300000000 ] - [ -0.0000377100000000, -0.0000030100000000, 0.0001623300000000 ] - [ 0.0057272000000000, 0.0008240100000000, 0.0018261300000000 ] - [ 0.0003728200000000, 0.0000612700000000, 0.0001407400000000 ] - [ -0.0000017900000000, 0.0000085100000000, -0.0000942800000000 ] - [ -0.0015839100000000, -0.0002437300000000, -0.0006669500000000 ] - [ 0.0002441400000000, -0.0004577400000000, 0.0001825600000000 ] - [ -0.0001457700000000, 0.0002167100000000, -0.0001689200000000 ] - [ -0.0005223300000000, 0.0000349100000000, 0.0004734300000000 ] - [ -0.0001672600000000, -0.0002371300000000, 0.0004445700000000 ] - [ -0.0000723200000000, -0.0000030200000000, 0.0000790000000000 ] - [ -0.0086110700000000, 0.0000898800000000, 0.0023701800000000 ] - [ 0.0000347500000000, -0.0000493300000000, 0.0003202700000000 ] - [ -0.0002995300000000, -0.0016791500000000, 0.0003022800000000 ] - [ -0.0097882900000000, -0.0004868200000000, 0.0043011600000000 ] - [ -0.0000893500000000, 0.0002516100000000, -0.0001740000000000 ] - [ -0.0002693300000000, -0.0016092800000000, -0.0002036400000000 ] - [ -0.0001467300000000, -0.0002011400000000, -0.0001803700000000 ] - [ 0.0000505400000000, 0.0000731500000000, 0.0002160700000000 ] - [ -0.0000551300000000, 0.0002063300000000, -0.0002833800000000 ] - [ 0.0003162800000000, -0.0001250300000000, -0.0002039400000000 ] - [ 0.0006111700000000, 0.0004037900000000, -0.0005177000000000 ] - [ 0.0002582200000000, -0.0000382100000000, -0.0001851700000000 ] - [ 0.0000707000000000, 0.0000934600000000, 0.0002717000000000 ] - [ 0.0028271300000000, 0.0070720300000000, -0.0014546900000000 ] - [ 0.0000323800000000, 0.0016358100000000, -0.0001025800000000 ] - [ 0.0017295100000000, 0.0004032800000000, -0.0034011800000000 ] - [ -0.0000462800000000, 0.0000640700000000, 0.0002162700000000 ] - [ -0.0003649900000000, 0.0000793100000000, 0.0000084000000000 ] - [ 0.0002545900000000, 0.0013869700000000, -0.0002736100000000 ] - [ 0.0000163800000000, -0.0000864200000000, 0.0002048600000000 ] - [ 0.0003488500000000, 0.0001834600000000, 0.0002662500000000 ] - [ -0.0001079400000000, -0.0002575800000000, -0.0001645100000000 ] - [ 0.0327727400000000, -0.0122330500000000, -0.0064611400000000 ] - [ -0.0001010900000000, 0.0000607600000000, 0.0002904400000000 ] - [ -0.0029733300000000, -0.0056700200000000, 0.0033705200000000 ] - [ -0.0000100300000000, -0.0000065900000000, -0.0000495300000000 ] - [ 0.0061841000000000, -0.0041413600000000, 0.0027561700000000 ] - [ -0.0028026500000000, 0.0062568600000000, 0.0029709800000000 ] - [ -0.0000138300000000, 0.0000160300000000, -0.0002929300000000 ] - [ -0.0081310600000000, 0.0000116800000000, -0.0026114700000000 ] - [ 0.0003508500000000, -0.0003583300000000, 0.0001841900000000 ] - [ -0.0000623300000000, 0.0000075800000000, 0.0003375900000000 ] - [ 0.0472920400000000, -0.0012012400000000, 0.0151347800000000 ] - [ 0.0000933500000000, 0.0012172600000000, -0.0005450700000000 ] - [ 0.0002640800000000, 0.0000273700000000, -0.0001718900000000 ] - [ -0.0000109400000000, 0.0005876400000000, 0.0003096400000000 ] - [ -0.0002954400000000, -0.0004564500000000, -0.0001674200000000 ] - [ 0.0483228000000000, 0.0411978800000000, 0.0185380800000000 ] - [ 0.0000477400000000, 0.0000832600000000, 0.0002046200000000 ] - [ -0.0000858900000000, 0.0000033500000000, 0.0002080400000000 ] - [ -0.0000784200000000, -0.0001781900000000, -0.0002554000000000 ] - [ -0.0000175000000000, -0.0001421200000000, 0.0002466600000000 ] - [ -0.0000186400000000, -0.0000162600000000, -0.0002970100000000 ] - [ 0.0000645400000000, 0.0000409000000000, 0.0001247700000000 ] - [ -0.0002114800000000, 0.0003377900000000, -0.0003133300000000 ] - [ -0.0012410600000000, 0.0007767600000000, -0.0028591700000000 ] - [ 0.0000756800000000, 0.0001458700000000, -0.0003861100000000 ] - [ 0.0020874500000000, -0.0072712500000000, -0.0016318200000000 ] - [ 0.0007074800000000, 0.0004574100000000, 0.0000148800000000 ] - [ -0.0010150300000000, 0.0034182600000000, 0.0030507000000000 ] - [ -0.0012473900000000, -0.0010098800000000, 0.0005607900000000 ] - [ 0.0000242200000000, -0.0000054900000000, -0.0004117600000000 ] - [ 0.0000390000000000, -0.0000815800000000, 0.0002214100000000 ] - [ 0.0004056500000000, -0.0002693600000000, 0.0008982600000000 ] - [ 0.0000374800000000, -0.0006558700000000, -0.0001810000000000 ] - [ 0.0000094300000000, 0.0000057500000000, -0.0002632600000000 ] - [ -0.0003473600000000, -0.0001549800000000, -0.0003606000000000 ] - [ -0.0001511700000000, -0.0000702000000000, 0.0000209800000000 ] - [ 0.0003275000000000, 0.0006621700000000, -0.0029395300000000 ] - [ -0.1835626400000000, -0.0335028300000000, -0.0396503900000000 ] - [ 0.0001648200000000, -0.0000525000000000, -0.0002594500000000 ] - [ 0.0000806700000000, -0.0000903600000000, 0.0001122400000000 ] - [ 0.0000424000000000, 0.0006338600000000, -0.0003660700000000 ] - [ 0.0000984000000000, -0.0000137500000000, 0.0000278400000000 ] - [ -0.0000282000000000, -0.0001543000000000, 0.0001833800000000 ] - [ -0.0000117800000000, 0.0000338800000000, 0.0003197100000000 ] - [ 0.0012926800000000, -0.0023643400000000, 0.0018608700000000 ] - [ 0.0001011100000000, 0.0001836700000000, 0.0000745300000000 ] - [ -0.0002412600000000, -0.0000055800000000, 0.0000730000000000 ] - [ 0.0000180900000000, 0.0002699900000000, -0.0001520900000000 ] - [ 0.0000445800000000, -0.0001105900000000, 0.0001152200000000 ] - [ -0.0045152500000000, -0.0000996500000000, -0.0006687800000000 ] - [ -0.0001723800000000, 0.0001282000000000, 0.0002204700000000 ] - [ -0.0000292300000000, 0.0000315300000000, 0.0002112000000000 ] - [ -0.0005962400000000, 0.0004279600000000, -0.0007663200000000 ] - [ -0.0000136000000000, -0.0000280800000000, 0.0003199300000000 ] - [ -0.0010266600000000, -0.0006704800000000, -0.0008304900000000 ] - [ 0.0005745000000000, -0.0000627500000000, -0.0004170600000000 ] - [ -0.0000353900000000, 0.0001759000000000, -0.0002748000000000 ] - [ 0.0001357500000000, -0.0005335400000000, -0.0006253500000000 ] - [ -0.0026530500000000, 0.0075062500000000, 0.0127326200000000 ] - [ -0.0000155000000000, -0.0000428700000000, 0.0002059100000000 ] - [ 0.0000639500000000, 0.0000105100000000, 0.0002428500000000 ] - [ -0.0000107800000000, -0.0000014900000000, -0.0000823900000000 ] - [ -0.0000557700000000, 0.0000506800000000, 0.0002367100000000 ] - [ -0.0001530800000000, 0.0002915600000000, 0.0000812900000000 ] - [ 0.0027399500000000, -0.0001899500000000, 0.0032721500000000 ] - [ -0.0000445900000000, 0.0009367500000000, -0.0002231500000000 ] - [ 0.0001299800000000, -0.0001778600000000, 0.0000390300000000 ] - [ 0.0000689100000000, -0.0000318400000000, -0.0001068000000000 ] - [ -0.0000596100000000, 0.0001477400000000, -0.0000318700000000 ] - [ 0.0053681600000000, -0.0013926400000000, -0.0145681100000000 ] - [ 0.0000379800000000, 0.0001647200000000, -0.0001524200000000 ] - [ -0.0006798400000000, 0.0021287600000000, -0.0011060000000000 ] - [ -0.0002714700000000, -0.0001250900000000, 0.0000004300000000 ] - [ 0.0001292400000000, -0.0000164400000000, 0.0001747600000000 ] - [ -0.0001030100000000, 0.0000136900000000, 0.0000206400000000 ] - [ 0.0001034800000000, 0.0007959000000000, 0.0008592700000000 ] - [ 0.0000718900000000, -0.0002314300000000, 0.0003329800000000 ] - [ -0.0000428500000000, -0.0001326200000000, -0.0004543100000000 ] - [ 0.0027302200000000, 0.0006272200000000, -0.0010903800000000 ] - [ 0.0000712700000000, 0.0000983900000000, 0.0001190000000000 ] - [ -0.0003628700000000, 0.0000449000000000, -0.0000090000000000 ] - [ -0.0000456200000000, -0.0003612000000000, 0.0002414400000000 ] - [ -0.0001944000000000, -0.0003544200000000, -0.0001254700000000 ] - [ -0.0001824700000000, -0.0000314700000000, -0.0000296000000000 ] - [ -0.0000626100000000, 0.0003677500000000, 0.0001402000000000 ] - [ -0.0001912700000000, 0.0003490200000000, -0.0001252000000000 ] - [ 0.0002031900000000, -0.0000375100000000, 0.0002026000000000 ] - [ 0.0002906400000000, 0.0002090200000000, 0.0004097400000000 ] - [ 0.0000152500000000, -0.0000421700000000, -0.0000077700000000 ] - [ -0.0000581600000000, 0.0001516900000000, 0.0001911900000000 ] - [ -0.0027447900000000, 0.0044857700000000, 0.0071798200000000 ] - [ 0.0000813900000000, 0.0000048800000000, 0.0002285900000000 ] - [ -0.0000365100000000, 0.0000432400000000, -0.0002200800000000 ] - [ 0.0000261400000000, -0.0000302500000000, 0.0000675100000000 ] - [ 0.0004024600000000, -0.0000020200000000, -0.0001182900000000 ] - [ 0.0053657600000000, 0.0003385900000000, -0.0000442300000000 ] - [ 0.0000256000000000, -0.0010134600000000, 0.0000670300000000 ] - [ 0.0000236700000000, -0.0000024000000000, 0.0003110900000000 ] - [ -0.0000398000000000, 0.0001168300000000, 0.0000096100000000 ] - [ 0.0009438700000000, 0.0002703500000000, -0.0019640100000000 ] - [ -0.0001631100000000, -0.0002963800000000, -0.0002038800000000 ] - [ -0.0001361800000000, -0.0002690700000000, 0.0001065000000000 ] - [ -0.0001360400000000, -0.0001242200000000, -0.0005374300000000 ] - [ 0.0164149500000000, -0.0130155400000000, -0.0045948900000000 ] - [ 0.0026460500000000, -0.0008303700000000, -0.0025454400000000 ] - [ -0.0000367600000000, -0.0000498500000000, 0.0002495400000000 ] - [ -0.0009936900000000, 0.0005747800000000, -0.0002771900000000 ] - [ 0.0001708600000000, -0.0000950300000000, 0.0000101400000000 ] - [ -0.0007169100000000, -0.0007638200000000, 0.0004333100000000 ] - [ 0.0191425300000000, 0.0139652400000000, -0.0007267100000000 ] - [ 0.0139741400000000, 0.0107821400000000, -0.0018646500000000 ] - [ -0.0000042800000000, 0.0000018800000000, -0.0001174100000000 ] - [ 0.0009597900000000, -0.0000777100000000, 0.0002158800000000 ] - [ 0.0000702700000000, -0.0001246500000000, 0.0000485300000000 ] - [ -0.0000839800000000, -0.0001355300000000, 0.0001870500000000 ] - [ -0.0001736800000000, 0.0034092200000000, -0.0001579900000000 ] - [ -0.0015417700000000, -0.0024961900000000, -0.0018874300000000 ] - [ 0.0038223200000000, -0.0004856700000000, -0.0000852800000000 ] - [ -0.0001409300000000, -0.0003709200000000, 0.0001918800000000 ] - [ 0.0004291200000000, 0.0000228500000000, 0.0002737600000000 ] - [ 0.0008376000000000, 0.0017172600000000, 0.0009294800000000 ] - [ 0.0000541500000000, 0.0000867200000000, -0.0000591300000000 ] - [ 0.0161495700000000, -0.0122449100000000, 0.0041551600000000 ] - [ -0.0002091800000000, -0.0000774400000000, 0.0001065100000000 ] - [ -0.0002276500000000, -0.0034276300000000, -0.0003193300000000 ] - [ 0.0000414500000000, 0.0001104700000000, 0.0001159700000000 ] - [ 0.0042374600000000, 0.0001666400000000, -0.0002928700000000 ] - [ 0.0000176500000000, -0.0000701100000000, 0.0000325900000000 ] - [ 0.0001176000000000, -0.0006493100000000, 0.0008699500000000 ] - [ -0.0003581100000000, 0.0006099700000000, 0.0011928800000000 ] - [ 0.0003422600000000, -0.0000066600000000, 0.0000133300000000 ] - [ -0.0050206300000000, 0.0004884500000000, -0.0010101000000000 ] - [ 0.0018484300000000, 0.0000975600000000, -0.0015146300000000 ] - [ -0.0001242100000000, -0.0000191700000000, 0.0001124000000000 ] - [ 0.0004341600000000, -0.0001528900000000, 0.0009992800000000 ] - [ -0.0027097200000000, -0.0046657000000000, 0.0069440000000000 ] - [ 0.0001035100000000, 0.0001957900000000, 0.0002065400000000 ] - [ -0.0002492600000000, -0.0000642000000000, 0.0011005000000000 ] - [ -0.0001262000000000, 0.0000125500000000, 0.0001154000000000 ] - [ 0.0001137100000000, 0.0005086800000000, 0.0000544000000000 ]- atom: 72 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029474800000000, 0.0002714300000000, 0.0018049800000000 ] - [ -0.0000342500000000, 0.0000080700000000, 0.0000607700000000 ] - [ 0.0000381700000000, 0.0000031600000000, 0.0002409600000000 ] - [ -0.0058316800000000, -0.0008192000000000, -0.0018385600000000 ] - [ -0.0003074800000000, 0.0000323900000000, -0.0001370900000000 ] - [ 0.0000017400000000, -0.0000080600000000, 0.0000936400000000 ] - [ 0.0015877200000000, 0.0002409700000000, 0.0002579300000000 ] - [ -0.0002512500000000, 0.0004581900000000, 0.0001569800000000 ] - [ -0.0001749900000000, 0.0001990100000000, -0.0000296300000000 ] - [ 0.0005263000000000, -0.0000395700000000, -0.0013065400000000 ] - [ 0.0003148200000000, 0.0004352800000000, -0.0003652900000000 ] - [ 0.0000563900000000, 0.0000448900000000, 0.0003476600000000 ] - [ 0.0085884200000000, -0.0000950900000000, -0.0015100100000000 ] - [ -0.0000329200000000, 0.0000549200000000, 0.0003055100000000 ] - [ 0.0000349400000000, 0.0016283900000000, -0.0003771900000000 ] - [ 0.0099028500000000, 0.0007062300000000, -0.0044235400000000 ] - [ -0.0001120100000000, 0.0002335700000000, -0.0000240100000000 ] - [ 0.0003419200000000, 0.0014954700000000, -0.0004256600000000 ] - [ -0.0001732000000000, -0.0002163300000000, -0.0000165700000000 ] - [ 0.0000284000000000, 0.0000630200000000, 0.0004359800000000 ] - [ 0.0005789500000000, -0.0001378400000000, 0.0004794900000000 ] - [ -0.0005917300000000, -0.0003572300000000, 0.0001052500000000 ] - [ -0.0008141800000000, 0.0000799900000000, 0.0007178800000000 ] - [ 0.0002621500000000, -0.0000318000000000, -0.0000134200000000 ] - [ -0.0000030800000000, 0.0000225000000000, 0.0003541100000000 ] - [ -0.0030574300000000, -0.0075407000000000, 0.0015328400000000 ] - [ -0.0000622800000000, -0.0016057600000000, -0.0002392900000000 ] - [ -0.0018953900000000, -0.0004108100000000, 0.0027797200000000 ] - [ -0.0000890900000000, -0.0000628900000000, 0.0004097700000000 ] - [ 0.0001281600000000, -0.0000563600000000, 0.0000743000000000 ] - [ -0.0002586000000000, -0.0013746500000000, -0.0003516500000000 ] - [ 0.0000583600000000, -0.0000541000000000, 0.0004488600000000 ] - [ -0.0002079900000000, -0.0003809500000000, -0.0001881200000000 ] - [ -0.0000936200000000, -0.0002281500000000, -0.0000323900000000 ] - [ -0.0323572200000000, 0.0130165000000000, 0.0070920900000000 ] - [ 0.0001453700000000, -0.0000540900000000, 0.0001358900000000 ] - [ 0.0026969200000000, 0.0061789800000000, -0.0032932200000000 ] - [ 0.0001112800000000, -0.0002217800000000, 0.0001307700000000 ] - [ -0.0062063700000000, 0.0041334400000000, -0.0033659500000000 ] - [ 0.0029012400000000, -0.0064975100000000, -0.0030686400000000 ] - [ -0.0000024500000000, 0.0000263900000000, -0.0001348400000000 ] - [ 0.0078771100000000, 0.0000154400000000, 0.0025114200000000 ] - [ 0.0001691300000000, 0.0002871600000000, 0.0000128900000000 ] - [ -0.0000966800000000, -0.0000130800000000, 0.0003154100000000 ] - [ -0.0438534200000000, 0.0009070600000000, -0.0129716000000000 ] - [ -0.0000155700000000, -0.0010858300000000, -0.0001072300000000 ] - [ 0.0002569700000000, 0.0000407700000000, -0.0000259700000000 ] - [ -0.0003111800000000, -0.0001712600000000, -0.0001123900000000 ] - [ 0.0000476000000000, 0.0004282700000000, 0.0002470800000000 ] - [ -0.0485451600000000, -0.0427348900000000, -0.0194918000000000 ] - [ 0.0000473000000000, 0.0000811800000000, 0.0003618400000000 ] - [ -0.0001050700000000, -0.0000028900000000, 0.0003582300000000 ] - [ 0.0001742000000000, 0.0000135500000000, -0.0003121900000000 ] - [ 0.0000854400000000, 0.0000257200000000, 0.0003790000000000 ] - [ -0.0000011500000000, -0.0000182000000000, -0.0001280700000000 ] - [ -0.0000609600000000, -0.0000366700000000, 0.0004995100000000 ] - [ 0.0003043200000000, -0.0001094600000000, 0.0003954500000000 ] - [ 0.0013337900000000, -0.0006552800000000, 0.0022296200000000 ] - [ 0.0000195900000000, 0.0000188900000000, -0.0001812100000000 ] - [ -0.0018858300000000, 0.0074579400000000, 0.0015235400000000 ] - [ -0.0001513600000000, -0.0004559700000000, -0.0001164800000000 ] - [ 0.0008723800000000, -0.0034143100000000, -0.0036774400000000 ] - [ 0.0013195900000000, 0.0008710400000000, -0.0012228400000000 ] - [ -0.0002148400000000, 0.0000063900000000, -0.0001548600000000 ] - [ 0.0000569900000000, -0.0000835700000000, 0.0003446300000000 ] - [ -0.0007272700000000, -0.0001481700000000, -0.0007026200000000 ] - [ -0.0002405100000000, 0.0001730600000000, 0.0003781300000000 ] - [ 0.0000355500000000, 0.0000013100000000, -0.0001646300000000 ] - [ 0.0000647800000000, 0.0006375600000000, 0.0002601000000000 ] - [ 0.0001313600000000, 0.0000347800000000, 0.0004026100000000 ] - [ -0.0003218500000000, -0.0006661000000000, 0.0032530900000000 ] - [ 0.1803079600000000, 0.0343738400000000, 0.0369114700000000 ] - [ -0.0001012000000000, -0.0000571600000000, -0.0006106100000000 ] - [ 0.0000778300000000, -0.0000846600000000, 0.0000177800000000 ] - [ -0.0001889800000000, -0.0003800600000000, 0.0001028800000000 ] - [ -0.0001175800000000, -0.0000173500000000, -0.0005652800000000 ] - [ 0.0001302700000000, -0.0000345600000000, -0.0001156300000000 ] - [ -0.0000052100000000, -0.0000013800000000, 0.0002196100000000 ] - [ -0.0011865200000000, 0.0021761300000000, -0.0019102900000000 ] - [ 0.0001163700000000, 0.0001929600000000, -0.0000740100000000 ] - [ -0.0002060800000000, 0.0000029700000000, -0.0000719000000000 ] - [ 0.0000982200000000, -0.0002722900000000, -0.0002151500000000 ] - [ 0.0000297800000000, -0.0001159900000000, 0.0000128200000000 ] - [ 0.0047139100000000, 0.0002985600000000, 0.0002474100000000 ] - [ 0.0001913600000000, 0.0001120400000000, 0.0001963700000000 ] - [ -0.0000264100000000, 0.0000711000000000, 0.0001591200000000 ] - [ 0.0003835400000000, -0.0005363400000000, 0.0011819500000000 ] - [ -0.0000015800000000, 0.0000017600000000, 0.0002172700000000 ] - [ 0.0013263300000000, 0.0006717800000000, 0.0005661500000000 ] - [ 0.0001143300000000, 0.0000700200000000, 0.0007902500000000 ] - [ 0.0000968000000000, -0.0000681200000000, -0.0005945500000000 ] - [ -0.0001951300000000, 0.0006333100000000, 0.0002573300000000 ] - [ 0.0024480100000000, -0.0075320000000000, -0.0118884000000000 ] - [ -0.0000327800000000, -0.0000584200000000, 0.0001629700000000 ] - [ 0.0000516600000000, -0.0000135000000000, 0.0001291400000000 ] - [ 0.0000122200000000, 0.0000022400000000, -0.0002380500000000 ] - [ -0.0000045500000000, 0.0000479800000000, 0.0001351700000000 ] - [ -0.0001699100000000, 0.0002745200000000, -0.0000818300000000 ] - [ -0.0027082600000000, 0.0002417700000000, -0.0031600100000000 ] - [ -0.0001711800000000, -0.0009517100000000, 0.0001550800000000 ] - [ 0.0000916800000000, -0.0002106400000000, -0.0000376300000000 ] - [ -0.0000392100000000, 0.0000851500000000, 0.0000218100000000 ] - [ 0.0002211000000000, 0.0000311800000000, -0.0000970900000000 ] - [ -0.0052714300000000, 0.0012097100000000, 0.0146097900000000 ] - [ -0.0000550500000000, -0.0001365700000000, -0.0003865800000000 ] - [ 0.0007977900000000, -0.0019524900000000, 0.0010418800000000 ] - [ 0.0000414100000000, 0.0000765900000000, -0.0001278500000000 ] - [ 0.0001667700000000, 0.0000170100000000, 0.0000905000000000 ] - [ 0.0002031300000000, 0.0001702100000000, 0.0000480500000000 ] - [ -0.0001534900000000, -0.0009025100000000, -0.0012326800000000 ] - [ 0.0001894800000000, 0.0002296500000000, -0.0003203100000000 ] - [ 0.0000771800000000, 0.0001326600000000, -0.0000843200000000 ] - [ -0.0026693600000000, -0.0007412000000000, 0.0019748600000000 ] - [ 0.0000869600000000, 0.0000784400000000, 0.0000108300000000 ] - [ 0.0001325700000000, 0.0000040000000000, -0.0001209700000000 ] - [ 0.0000461200000000, 0.0003617400000000, 0.0000812000000000 ] - [ -0.0002097800000000, -0.0003458400000000, -0.0001935800000000 ] - [ 0.0001852100000000, 0.0000236100000000, 0.0000292100000000 ] - [ -0.0003472700000000, 0.0003268400000000, 0.0001781800000000 ] - [ -0.0002185200000000, 0.0003450800000000, -0.0001921100000000 ] - [ -0.0005467600000000, 0.0006434000000000, 0.0001596800000000 ] - [ -0.0000845500000000, -0.0003402500000000, 0.0000011300000000 ] - [ -0.0003621500000000, -0.0005563300000000, 0.0003684700000000 ] - [ -0.0000889800000000, 0.0001047800000000, 0.0000739300000000 ] - [ 0.0027983900000000, -0.0044673100000000, -0.0071382600000000 ] - [ 0.0000353200000000, -0.0000016200000000, 0.0001415300000000 ] - [ 0.0001106900000000, -0.0002673000000000, 0.0000930600000000 ] - [ -0.0000826300000000, 0.0000307100000000, -0.0001521800000000 ] - [ 0.0004036300000000, -0.0000059200000000, -0.0001990500000000 ] - [ -0.0057059900000000, 0.0002660500000000, -0.0003234600000000 ] - [ 0.0000319100000000, 0.0011268600000000, 0.0008019100000000 ] - [ 0.0000130600000000, 0.0000038400000000, 0.0002282800000000 ] - [ -0.0001736200000000, -0.0001237400000000, 0.0000573500000000 ] - [ -0.0010053000000000, -0.0003626300000000, 0.0015988100000000 ] - [ 0.0000296900000000, 0.0000693600000000, 0.0002161200000000 ] - [ -0.0001828900000000, -0.0002835400000000, -0.0001061900000000 ] - [ 0.0000101000000000, 0.0001228100000000, -0.0003313100000000 ] - [ -0.0163581700000000, 0.0131860900000000, 0.0046091900000000 ] - [ -0.0027021200000000, 0.0008316800000000, 0.0026454500000000 ] - [ -0.0000263700000000, -0.0000426200000000, 0.0001191200000000 ] - [ 0.0009981700000000, -0.0005745800000000, 0.0005977800000000 ] - [ -0.0000128100000000, -0.0000807000000000, -0.0001387400000000 ] - [ 0.0005010000000000, 0.0008754800000000, -0.0000138900000000 ] - [ -0.0181712900000000, -0.0137139000000000, 0.0003705600000000 ] - [ -0.0141322800000000, -0.0111728400000000, 0.0014538000000000 ] - [ 0.0000043700000000, -0.0000004100000000, -0.0002034300000000 ] - [ -0.0008446800000000, 0.0000794500000000, -0.0005816100000000 ] - [ 0.0000382300000000, -0.0000563100000000, 0.0000179500000000 ] - [ -0.0000635900000000, -0.0001198300000000, 0.0000777000000000 ] - [ 0.0000414000000000, -0.0031860800000000, 0.0001461400000000 ] - [ 0.0016536200000000, 0.0026798000000000, 0.0018221700000000 ] - [ -0.0041644500000000, -0.0000886800000000, -0.0002789500000000 ] - [ -0.0002624600000000, -0.0003277400000000, 0.0001284700000000 ] - [ 0.0003770600000000, -0.0000306000000000, 0.0000439400000000 ] - [ -0.0008146200000000, -0.0017644200000000, -0.0008328300000000 ] - [ -0.0000257500000000, -0.0001364500000000, -0.0000245300000000 ] - [ -0.0160713800000000, 0.0118261700000000, -0.0041362300000000 ] - [ -0.0000021900000000, 0.0000812000000000, -0.0000388300000000 ] - [ 0.0002470000000000, 0.0036672900000000, -0.0000988900000000 ] - [ 0.0000326200000000, 0.0001149700000000, 0.0000139200000000 ] - [ -0.0040300100000000, -0.0003217600000000, -0.0001207900000000 ] - [ 0.0000564400000000, 0.0002995300000000, -0.0001615600000000 ] - [ -0.0002688900000000, 0.0003970000000000, -0.0011376500000000 ] - [ 0.0005529700000000, -0.0004694300000000, -0.0007714900000000 ] - [ 0.0003095500000000, 0.0000099800000000, -0.0000137200000000 ] - [ 0.0047995400000000, -0.0006937000000000, 0.0005951600000000 ] - [ -0.0018477500000000, -0.0000966900000000, 0.0014977000000000 ] - [ -0.0001090500000000, -0.0000299300000000, 0.0000155500000000 ] - [ -0.0004121700000000, -0.0000882400000000, -0.0005781100000000 ] - [ 0.0024418900000000, 0.0046886200000000, -0.0070320100000000 ] - [ 0.0000062700000000, -0.0000177400000000, -0.0001369300000000 ] - [ 0.0001900500000000, 0.0001688000000000, -0.0014760100000000 ] - [ -0.0001044700000000, 0.0000372100000000, 0.0000147200000000 ] - [ -0.0002437000000000, -0.0002842100000000, -0.0000401300000000 ]- atom: 72 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0000209700000000, 0.0002996700000000, 0.0001189600000000 ] - [ -0.0000253800000000, 0.0000278600000000, -0.0000629300000000 ] - [ -0.0000182700000000, 0.0000037600000000, 0.0001667400000000 ] - [ -0.0023119000000000, 0.0053893000000000, 0.0016455000000000 ] - [ 0.0011127000000000, -0.0026035600000000, -0.0018310700000000 ] - [ 0.0000251700000000, -0.0000341800000000, -0.0000898900000000 ] - [ 0.0003661600000000, 0.0003839200000000, -0.0002697900000000 ] - [ 0.0002897400000000, -0.0004370400000000, 0.0009887000000000 ] - [ -0.0001489100000000, 0.0002040400000000, -0.0001649300000000 ] - [ -0.0005728900000000, -0.0000336100000000, -0.0004563600000000 ] - [ -0.0000625300000000, -0.0003094800000000, 0.0004496400000000 ] - [ -0.0000651400000000, 0.0000259500000000, 0.0001117900000000 ] - [ 0.0012110800000000, 0.0007331900000000, 0.0004395500000000 ] - [ 0.0000472000000000, -0.0000827100000000, 0.0003085300000000 ] - [ -0.0038896300000000, -0.0052014000000000, 0.0033075100000000 ] - [ 0.0051119200000000, 0.0059861200000000, -0.0015215800000000 ] - [ -0.0001001000000000, 0.0002556100000000, -0.0001766000000000 ] - [ -0.0011869300000000, -0.0011077200000000, -0.0002211700000000 ] - [ -0.0001546400000000, -0.0001939700000000, -0.0001743000000000 ] - [ 0.0000468500000000, 0.0000503000000000, 0.0002038800000000 ] - [ 0.0008895600000000, -0.0002718500000000, 0.0005251400000000 ] - [ 0.0001673900000000, -0.0003562000000000, -0.0004110400000000 ] - [ -0.0003996200000000, 0.0007224700000000, 0.0007622500000000 ] - [ 0.0002539600000000, -0.0000349800000000, -0.0001831100000000 ] - [ 0.0000761200000000, 0.0000962900000000, 0.0002165200000000 ] - [ 0.0041979200000000, -0.0094949100000000, 0.0044683500000000 ] - [ 0.0042182800000000, -0.0073485000000000, 0.0017182100000000 ] - [ -0.0004850900000000, 0.0012849300000000, -0.0037825200000000 ] - [ -0.0000548600000000, 0.0000465200000000, 0.0002725900000000 ] - [ -0.0000048600000000, 0.0000271700000000, -0.0000641800000000 ] - [ 0.0010027400000000, -0.0032884800000000, -0.0012623400000000 ] - [ 0.0000349100000000, -0.0000716100000000, 0.0002176700000000 ] - [ 0.0002564800000000, 0.0005224300000000, 0.0001201200000000 ] - [ -0.0001071400000000, -0.0002573500000000, -0.0001628600000000 ] - [ -0.0280135800000000, 0.0458925100000000, 0.0188418800000000 ] - [ 0.0001454000000000, -0.0000245000000000, 0.0000379800000000 ] - [ -0.0013278500000000, -0.0005124600000000, 0.0003347400000000 ] - [ 0.0002419300000000, -0.0002915900000000, -0.0000039700000000 ] - [ -0.0065343700000000, 0.0039340500000000, 0.0027355800000000 ] - [ 0.0041528400000000, -0.0069825200000000, -0.0026367100000000 ] - [ -0.0000097700000000, 0.0000166900000000, -0.0002843000000000 ] - [ 0.0068846700000000, 0.0008685200000000, 0.0030943400000000 ] - [ -0.0000639700000000, -0.0000485000000000, 0.0002664900000000 ] - [ -0.0000796900000000, 0.0000159100000000, 0.0003429600000000 ] - [ -0.0235003000000000, 0.0214861100000000, -0.0048562800000000 ] - [ 0.0000399800000000, -0.0016852400000000, 0.0008846300000000 ] - [ 0.0002721200000000, 0.0000206900000000, -0.0001748700000000 ] - [ 0.0000581800000000, -0.0003220000000000, -0.0004092200000000 ] - [ -0.0003724300000000, -0.0003594500000000, -0.0002637300000000 ] - [ 0.0118435900000000, 0.0594851300000000, 0.0172331900000000 ] - [ 0.0000451100000000, 0.0000681300000000, 0.0002292800000000 ] - [ -0.0000983100000000, 0.0000045000000000, 0.0002008900000000 ] - [ 0.0001037500000000, -0.0000433600000000, -0.0003764100000000 ] - [ -0.0000152600000000, -0.0001404800000000, 0.0002490200000000 ] - [ -0.0000051300000000, -0.0000053700000000, -0.0002668000000000 ] - [ 0.0000051600000000, 0.0000769300000000, 0.0001317100000000 ] - [ -0.0000560300000000, 0.0005449300000000, -0.0001121400000000 ] - [ 0.0032321900000000, 0.0010476500000000, 0.0031021800000000 ] - [ 0.0000407300000000, -0.0000495000000000, -0.0002342000000000 ] - [ -0.0070430700000000, -0.0019328600000000, -0.0013300700000000 ] - [ 0.0003866000000000, 0.0003657100000000, 0.0001782600000000 ] - [ 0.0012006200000000, -0.0010487700000000, -0.0028242900000000 ] - [ 0.0008553600000000, 0.0004826600000000, -0.0003322800000000 ] - [ -0.0001800200000000, 0.0001214000000000, -0.0004466000000000 ] - [ 0.0000469800000000, -0.0000793100000000, 0.0002091100000000 ] - [ -0.0004467300000000, 0.0004415900000000, -0.0005164000000000 ] - [ 0.0000347100000000, -0.0006637200000000, -0.0002856400000000 ] - [ 0.0000263200000000, 0.0000035800000000, -0.0002954300000000 ] - [ -0.0004242000000000, -0.0001168600000000, -0.0002589100000000 ] - [ 0.0000665800000000, 0.0001090400000000, 0.0002436100000000 ] - [ 0.0004183900000000, 0.0005676200000000, -0.0027710000000000 ] - [ 0.0626099900000000, -0.1759430100000000, -0.0457387400000000 ] - [ 0.0001673500000000, -0.0000355500000000, -0.0002763800000000 ] - [ 0.0000763600000000, -0.0000908800000000, 0.0001152100000000 ] - [ 0.0001664800000000, 0.0003131000000000, -0.0001246300000000 ] - [ -0.0000760700000000, -0.0001967000000000, -0.0004996800000000 ] - [ 0.0000241700000000, -0.0002160000000000, 0.0000974200000000 ] - [ -0.0000101100000000, 0.0000317800000000, 0.0003173300000000 ] - [ -0.0020333800000000, 0.0025145800000000, -0.0021081700000000 ] - [ 0.0001050600000000, 0.0002043400000000, 0.0000229700000000 ] - [ -0.0002154300000000, -0.0000211200000000, 0.0000940000000000 ] - [ 0.0004358100000000, 0.0002936300000000, -0.0004575200000000 ] - [ 0.0000488300000000, -0.0001144400000000, 0.0001162300000000 ] - [ 0.0031176400000000, 0.0172956100000000, -0.0019132000000000 ] - [ -0.0004444800000000, 0.0002692800000000, 0.0002451300000000 ] - [ -0.0000236300000000, 0.0000218100000000, 0.0002205000000000 ] - [ -0.0002774400000000, 0.0001372700000000, -0.0003657200000000 ] - [ -0.0000130300000000, -0.0000264500000000, 0.0003118800000000 ] - [ 0.0000204800000000, 0.0000212000000000, 0.0011187200000000 ] - [ 0.0010563500000000, -0.0002102200000000, -0.0008594200000000 ] - [ -0.0000414900000000, 0.0001534600000000, -0.0002607200000000 ] - [ -0.0005865300000000, 0.0008264300000000, 0.0001870600000000 ] - [ 0.0070909300000000, 0.0021844400000000, 0.0129466900000000 ] - [ -0.0000132600000000, -0.0000431900000000, 0.0002042900000000 ] - [ 0.0000682400000000, 0.0000125700000000, 0.0002412900000000 ] - [ 0.0000031600000000, -0.0000105800000000, -0.0000842400000000 ] - [ -0.0000558900000000, 0.0000633800000000, 0.0002286900000000 ] - [ -0.0001532200000000, 0.0002825800000000, 0.0000718000000000 ] - [ -0.0015369200000000, -0.0022139400000000, -0.0024201100000000 ] - [ 0.0007736800000000, 0.0017102500000000, 0.0008279500000000 ] - [ 0.0001081600000000, -0.0001963200000000, 0.0000668000000000 ] - [ 0.0000179900000000, -0.0001457800000000, -0.0000226100000000 ] - [ 0.0002221800000000, 0.0000968000000000, -0.0002002000000000 ] - [ -0.0031995800000000, -0.0044654800000000, 0.0079319300000000 ] - [ 0.0001523800000000, 0.0001168400000000, -0.0001531400000000 ] - [ 0.0021109400000000, 0.0002983500000000, -0.0009754900000000 ] - [ -0.0001111000000000, 0.0000556400000000, 0.0001793600000000 ] - [ 0.0001355100000000, -0.0000133400000000, 0.0001646100000000 ] - [ -0.0000332800000000, 0.0001184700000000, -0.0000223900000000 ] - [ 0.0003547700000000, 0.0006595600000000, 0.0008383000000000 ] - [ 0.0000143200000000, -0.0001596300000000, -0.0002021600000000 ] - [ -0.0001259200000000, 0.0000611500000000, 0.0000475000000000 ] - [ -0.0007923300000000, -0.0004878200000000, 0.0001497700000000 ] - [ 0.0000778900000000, 0.0000951100000000, 0.0001138800000000 ] - [ 0.0000268600000000, -0.0001539700000000, -0.0000264500000000 ] - [ -0.0002827100000000, 0.0006858200000000, 0.0003606700000000 ] - [ -0.0002017200000000, -0.0003409200000000, -0.0001226500000000 ] - [ -0.0008137800000000, 0.0016254700000000, -0.0013764300000000 ] - [ -0.0002958400000000, 0.0002982600000000, 0.0002147600000000 ] - [ -0.0002122500000000, 0.0003406700000000, -0.0001229700000000 ] - [ -0.0000621300000000, 0.0001555800000000, 0.0002044300000000 ] - [ 0.0002077500000000, 0.0002124300000000, 0.0000437300000000 ] - [ -0.0000192800000000, 0.0000008800000000, 0.0004096200000000 ] - [ -0.0000596500000000, 0.0001478200000000, 0.0001904800000000 ] - [ 0.0052342900000000, -0.0005167700000000, 0.0067714600000000 ] - [ 0.0000691700000000, 0.0000009200000000, 0.0002358300000000 ] - [ 0.0001650000000000, -0.0002101500000000, -0.0000101900000000 ] - [ -0.0000763500000000, -0.0000015300000000, -0.0000416900000000 ] - [ 0.0004068800000000, -0.0000109300000000, -0.0001252900000000 ] - [ -0.0029245400000000, -0.0015381600000000, -0.0003002100000000 ] - [ -0.0008113700000000, 0.0027761000000000, -0.0009838700000000 ] - [ 0.0000273700000000, -0.0000005300000000, 0.0003189700000000 ] - [ -0.0000442800000000, 0.0000871100000000, 0.0000100600000000 ] - [ -0.0007001600000000, -0.0004908900000000, 0.0008605500000000 ] - [ -0.0002333200000000, -0.0002604500000000, 0.0003434700000000 ] - [ -0.0001739400000000, -0.0003012000000000, 0.0000179000000000 ] - [ -0.0001382200000000, -0.0001172200000000, -0.0005428400000000 ] - [ -0.0180374200000000, 0.0084094000000000, 0.0040047700000000 ] - [ -0.0022496400000000, 0.0002251600000000, 0.0025090500000000 ] - [ -0.0000396800000000, -0.0000558800000000, 0.0002344500000000 ] - [ 0.0009179900000000, -0.0006960500000000, -0.0002522200000000 ] - [ 0.0000172100000000, 0.0000201400000000, -0.0000436600000000 ] - [ -0.0005137000000000, -0.0008470500000000, 0.0004108800000000 ] - [ 0.0035210500000000, -0.0042318900000000, -0.0009847200000000 ] - [ 0.0016074700000000, -0.0045284100000000, -0.0006337000000000 ] - [ -0.0000069100000000, 0.0000144600000000, -0.0001156800000000 ] - [ -0.0005712900000000, -0.0000814200000000, -0.0006404900000000 ] - [ 0.0000004400000000, -0.0000551400000000, 0.0001263600000000 ] - [ -0.0000832500000000, -0.0001322700000000, 0.0001984500000000 ] - [ 0.0028436800000000, 0.0016922600000000, -0.0001858800000000 ] - [ -0.0010932400000000, 0.0027581200000000, 0.0026329300000000 ] - [ -0.0019114700000000, 0.0033447100000000, -0.0002059700000000 ] - [ -0.0002237700000000, -0.0002919800000000, 0.0001884100000000 ] - [ 0.0004215900000000, -0.0000893700000000, 0.0002050500000000 ] - [ 0.0010721400000000, 0.0007251000000000, -0.0002246300000000 ] - [ 0.0000826900000000, 0.0001020900000000, -0.0000609800000000 ] - [ -0.0199738100000000, 0.0082690600000000, -0.0048020800000000 ] - [ -0.0001207900000000, -0.0000893600000000, 0.0001862000000000 ] - [ -0.0026440800000000, 0.0050639400000000, -0.0001278000000000 ] - [ 0.0000379300000000, 0.0001179800000000, 0.0001109500000000 ] - [ -0.0023947400000000, 0.0032680600000000, -0.0001114700000000 ] - [ -0.0000629400000000, 0.0003731300000000, -0.0001232400000000 ] - [ -0.0006598000000000, 0.0004420200000000, -0.0019591300000000 ] - [ -0.0000994500000000, 0.0003967200000000, 0.0009580900000000 ] - [ 0.0003051100000000, 0.0000053700000000, 0.0001045500000000 ] - [ 0.0018654600000000, 0.0211284500000000, -0.0002696300000000 ] - [ 0.0001289000000000, -0.0001480500000000, 0.0000242600000000 ] - [ -0.0001218400000000, -0.0000153100000000, 0.0001122000000000 ] - [ 0.0006615100000000, -0.0002703500000000, 0.0011582400000000 ] - [ -0.0030493700000000, 0.0044514000000000, -0.0135202300000000 ] - [ 0.0001186700000000, 0.0001833100000000, 0.0001997500000000 ] - [ 0.0002622400000000, -0.0017400800000000, -0.0006211200000000 ] - [ -0.0001199200000000, 0.0000090400000000, 0.0001172400000000 ] - [ 0.0001798800000000, 0.0004584300000000, 0.0000530400000000 ]- atom: 72 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0000678500000000, -0.0003989900000000, -0.0001156500000000 ] - [ 0.0000257000000000, -0.0000277700000000, 0.0000624100000000 ] - [ 0.0000184800000000, -0.0000034100000000, 0.0002365200000000 ] - [ 0.0021940900000000, -0.0053743800000000, -0.0016589600000000 ] - [ -0.0010463400000000, 0.0027062200000000, 0.0018542600000000 ] - [ -0.0000255100000000, 0.0000347400000000, 0.0000890700000000 ] - [ -0.0003620100000000, -0.0003832800000000, -0.0001346200000000 ] - [ -0.0003005200000000, 0.0004385300000000, -0.0006393200000000 ] - [ -0.0001720000000000, 0.0002117800000000, -0.0000338400000000 ] - [ 0.0005728800000000, 0.0000316600000000, -0.0003860700000000 ] - [ 0.0002121300000000, 0.0005059300000000, -0.0003697600000000 ] - [ 0.0000490900000000, 0.0000160600000000, 0.0003150200000000 ] - [ -0.0011726100000000, -0.0007398400000000, 0.0003993900000000 ] - [ -0.0000459100000000, 0.0000884900000000, 0.0003169600000000 ] - [ 0.0036599100000000, 0.0051897200000000, -0.0034089400000000 ] - [ -0.0050259500000000, -0.0057092900000000, 0.0014202000000000 ] - [ -0.0001013900000000, 0.0002296300000000, -0.0000215900000000 ] - [ 0.0012540000000000, 0.0009962700000000, -0.0004078400000000 ] - [ -0.0001654000000000, -0.0002233800000000, -0.0000228600000000 ] - [ 0.0000319400000000, 0.0000861200000000, 0.0004482500000000 ] - [ -0.0003689800000000, 0.0003382700000000, -0.0003295500000000 ] - [ -0.0004422300000000, -0.0001274200000000, 0.0003133900000000 ] - [ 0.0001981600000000, -0.0002400500000000, -0.0005647700000000 ] - [ 0.0002662900000000, -0.0000349600000000, -0.0000156700000000 ] - [ -0.0000086700000000, 0.0000195900000000, 0.0004092200000000 ] - [ -0.0044886200000000, 0.0090280300000000, -0.0044103500000000 ] - [ -0.0042166700000000, 0.0073259400000000, -0.0020385400000000 ] - [ 0.0003248100000000, -0.0012942100000000, 0.0031598300000000 ] - [ -0.0000804100000000, -0.0000452500000000, 0.0003532600000000 ] - [ -0.0002333500000000, -0.0000053300000000, 0.0001455800000000 ] - [ -0.0010083700000000, 0.0032915700000000, 0.0006237800000000 ] - [ 0.0000396800000000, -0.0000688400000000, 0.0004357200000000 ] - [ -0.0001149200000000, -0.0007180400000000, -0.0000410200000000 ] - [ -0.0000945700000000, -0.0002283200000000, -0.0000342700000000 ] - [ 0.0266630400000000, -0.0427935000000000, -0.0163238200000000 ] - [ -0.0001013200000000, 0.0000317900000000, 0.0003887700000000 ] - [ 0.0010333300000000, 0.0009676400000000, -0.0002287000000000 ] - [ -0.0001402200000000, 0.0000647800000000, 0.0000867300000000 ] - [ 0.0065396000000000, -0.0039586100000000, -0.0033424200000000 ] - [ -0.0040386100000000, 0.0067427800000000, 0.0025344100000000 ] - [ -0.0000066100000000, 0.0000258500000000, -0.0001436000000000 ] - [ -0.0071337100000000, -0.0008574900000000, -0.0031924500000000 ] - [ 0.0005844200000000, -0.0000229600000000, -0.0000693500000000 ] - [ -0.0000795800000000, -0.0000213200000000, 0.0003100700000000 ] - [ 0.0243415700000000, -0.0214434600000000, 0.0052838800000000 ] - [ 0.0000409600000000, 0.0018200500000000, -0.0015447300000000 ] - [ 0.0002487200000000, 0.0000475400000000, -0.0000232000000000 ] - [ -0.0003818800000000, 0.0007408400000000, 0.0006055500000000 ] - [ 0.0001246000000000, 0.0003307900000000, 0.0003435500000000 ] - [ -0.0129447000000000, -0.0602051800000000, -0.0180899700000000 ] - [ 0.0000498100000000, 0.0000963800000000, 0.0003369900000000 ] - [ -0.0000927900000000, -0.0000039400000000, 0.0003652400000000 ] - [ -0.0000082300000000, -0.0001215800000000, -0.0001906400000000 ] - [ 0.0000832500000000, 0.0000240900000000, 0.0003765200000000 ] - [ -0.0000148300000000, -0.0000290100000000, -0.0001584000000000 ] - [ -0.0000016500000000, -0.0000725700000000, 0.0004923500000000 ] - [ 0.0001503900000000, -0.0003159100000000, 0.0001931700000000 ] - [ -0.0031598200000000, -0.0009375700000000, -0.0037299600000000 ] - [ 0.0000548700000000, 0.0002145400000000, -0.0003337500000000 ] - [ 0.0071548800000000, 0.0021692000000000, 0.0012237700000000 ] - [ 0.0001687600000000, -0.0003651400000000, -0.0002801100000000 ] - [ -0.0013456000000000, 0.0010737400000000, 0.0021963300000000 ] - [ -0.0007829000000000, -0.0006263200000000, -0.0003225700000000 ] - [ -0.0000105500000000, -0.0001204800000000, -0.0001199500000000 ] - [ 0.0000488400000000, -0.0000857300000000, 0.0003568800000000 ] - [ 0.0001269700000000, -0.0008598500000000, 0.0007152300000000 ] - [ -0.0002387500000000, 0.0001809000000000, 0.0004822000000000 ] - [ 0.0000184700000000, 0.0000036000000000, -0.0001325000000000 ] - [ 0.0001417000000000, 0.0005990800000000, 0.0001580200000000 ] - [ -0.0000870900000000, -0.0001446200000000, 0.0001800500000000 ] - [ -0.0004153400000000, -0.0005693100000000, 0.0030833200000000 ] - [ -0.0605510300000000, 0.1733594700000000, 0.0427362200000000 ] - [ -0.0001040000000000, -0.0000736600000000, -0.0005937100000000 ] - [ 0.0000820500000000, -0.0000839600000000, 0.0000154400000000 ] - [ -0.0003133900000000, -0.0000568600000000, -0.0001384800000000 ] - [ 0.0000577500000000, 0.0001665000000000, -0.0000376300000000 ] - [ 0.0000778900000000, 0.0000269000000000, -0.0000300700000000 ] - [ -0.0000069500000000, 0.0000006800000000, 0.0002226900000000 ] - [ 0.0021430900000000, -0.0026931200000000, 0.0020546000000000 ] - [ 0.0001121700000000, 0.0001723300000000, -0.0000222000000000 ] - [ -0.0002317000000000, 0.0000187300000000, -0.0000927400000000 ] - [ -0.0003229400000000, -0.0002965500000000, 0.0000895400000000 ] - [ 0.0000252700000000, -0.0001120400000000, 0.0000124300000000 ] - [ -0.0029718100000000, -0.0173708700000000, 0.0015012700000000 ] - [ 0.0004633400000000, -0.0000288600000000, 0.0001668000000000 ] - [ -0.0000322500000000, 0.0000806700000000, 0.0001501600000000 ] - [ 0.0000678600000000, -0.0002498100000000, 0.0007862700000000 ] - [ -0.0000021600000000, 0.0000004000000000, 0.0002259800000000 ] - [ 0.0002780000000000, -0.0000243900000000, -0.0013876200000000 ] - [ -0.0003609200000000, 0.0002165000000000, 0.0012240100000000 ] - [ 0.0001022900000000, -0.0000454700000000, -0.0006093600000000 ] - [ 0.0005265200000000, -0.0007296500000000, -0.0005515000000000 ] - [ -0.0071906300000000, -0.0022671900000000, -0.0120910700000000 ] - [ -0.0000353200000000, -0.0000577500000000, 0.0001649300000000 ] - [ 0.0000470500000000, -0.0000152100000000, 0.0001309700000000 ] - [ -0.0000019100000000, 0.0000114500000000, -0.0002355300000000 ] - [ -0.0000042900000000, 0.0000353000000000, 0.0001436100000000 ] - [ -0.0001698000000000, 0.0002833800000000, -0.0000722600000000 ] - [ 0.0015617900000000, 0.0022787300000000, 0.0025114300000000 ] - [ -0.0009799500000000, -0.0017177200000000, -0.0008829800000000 ] - [ 0.0001133300000000, -0.0001919500000000, -0.0000654600000000 ] - [ 0.0000120600000000, 0.0001988100000000, -0.0000627800000000 ] - [ -0.0000614800000000, 0.0000822900000000, 0.0000709900000000 ] - [ 0.0033479300000000, 0.0042271700000000, -0.0080177700000000 ] - [ -0.0001696900000000, -0.0000886400000000, -0.0003864400000000 ] - [ -0.0020058000000000, -0.0001134800000000, 0.0009103400000000 ] - [ -0.0001191700000000, -0.0001045900000000, -0.0003074000000000 ] - [ 0.0001604900000000, 0.0000139800000000, 0.0001010600000000 ] - [ 0.0001339500000000, 0.0000655400000000, 0.0000907900000000 ] - [ -0.0004050500000000, -0.0007655300000000, -0.0012117200000000 ] - [ 0.0002464700000000, 0.0001570400000000, 0.0002134400000000 ] - [ 0.0001600900000000, -0.0000620100000000, -0.0005872800000000 ] - [ 0.0008624500000000, 0.0003784400000000, 0.0007194200000000 ] - [ 0.0000802100000000, 0.0000818000000000, 0.0000165800000000 ] - [ -0.0002576700000000, 0.0002032400000000, -0.0001040500000000 ] - [ 0.0002840200000000, -0.0006844600000000, -0.0000362900000000 ] - [ -0.0002026000000000, -0.0003592300000000, -0.0001961100000000 ] - [ 0.0008143700000000, -0.0016229800000000, 0.0013591200000000 ] - [ -0.0001138900000000, 0.0003964700000000, 0.0001029000000000 ] - [ -0.0001976400000000, 0.0003534600000000, -0.0001940800000000 ] - [ -0.0002813800000000, 0.0004500400000000, 0.0001614400000000 ] - [ -0.0000001600000000, -0.0003407000000000, 0.0003663500000000 ] - [ -0.0003292000000000, -0.0006019500000000, -0.0000496600000000 ] - [ -0.0000877700000000, 0.0001089200000000, 0.0000751200000000 ] - [ -0.0052393700000000, 0.0005724800000000, -0.0067229600000000 ] - [ 0.0000473500000000, 0.0000022200000000, 0.0001346200000000 ] - [ -0.0000915600000000, -0.0000132800000000, -0.0001177000000000 ] - [ 0.0000192000000000, 0.0000016100000000, -0.0000432500000000 ] - [ 0.0003990200000000, 0.0000030900000000, -0.0001917400000000 ] - [ 0.0025789600000000, 0.0021427900000000, -0.0000670500000000 ] - [ 0.0008705500000000, -0.0026722100000000, 0.0018671000000000 ] - [ 0.0000090300000000, 0.0000020300000000, 0.0002210900000000 ] - [ -0.0001698700000000, -0.0000938700000000, 0.0000569700000000 ] - [ 0.0006420900000000, 0.0003988100000000, -0.0012327800000000 ] - [ 0.0001002300000000, 0.0000341400000000, -0.0003315900000000 ] - [ -0.0001450500000000, -0.0002510300000000, -0.0000174700000000 ] - [ 0.0000115700000000, 0.0001160900000000, -0.0003266000000000 ] - [ 0.0180299900000000, -0.0083184400000000, -0.0039829500000000 ] - [ 0.0021890000000000, -0.0002328700000000, -0.0024011700000000 ] - [ -0.0000233600000000, -0.0000365300000000, 0.0001346500000000 ] - [ -0.0009173700000000, 0.0006987700000000, 0.0005723200000000 ] - [ 0.0001409800000000, -0.0001950600000000, -0.0000855000000000 ] - [ 0.0002971700000000, 0.0009582800000000, 0.0000079500000000 ] - [ -0.0029102400000000, 0.0041737100000000, 0.0006200700000000 ] - [ -0.0015333100000000, 0.0043152900000000, 0.0002164300000000 ] - [ 0.0000068700000000, -0.0000128800000000, -0.0002044500000000 ] - [ 0.0006888600000000, 0.0000865500000000, 0.0002703000000000 ] - [ 0.0001081900000000, -0.0001256800000000, -0.0000604700000000 ] - [ -0.0000645300000000, -0.0001231400000000, 0.0000666800000000 ] - [ -0.0029705200000000, -0.0014697600000000, 0.0001745400000000 ] - [ 0.0011958800000000, -0.0025746700000000, -0.0026786600000000 ] - [ 0.0015419600000000, -0.0039559500000000, -0.0001605600000000 ] - [ -0.0001799300000000, -0.0004069000000000, 0.0001317100000000 ] - [ 0.0003845600000000, 0.0000818200000000, 0.0001124800000000 ] - [ -0.0010494700000000, -0.0007824900000000, 0.0003088000000000 ] - [ -0.0000544600000000, -0.0001512900000000, -0.0000233800000000 ] - [ 0.0201129400000000, -0.0086007600000000, 0.0048155600000000 ] - [ -0.0000908700000000, 0.0000931600000000, -0.0001188500000000 ] - [ 0.0026586300000000, -0.0048184900000000, -0.0002889700000000 ] - [ 0.0000359300000000, 0.0001075700000000, 0.0000195500000000 ] - [ 0.0026223000000000, -0.0033816900000000, -0.0002990900000000 ] - [ 0.0001369400000000, -0.0001441200000000, -0.0000050000000000 ] - [ 0.0005119400000000, -0.0006965900000000, 0.0016991900000000 ] - [ 0.0002926900000000, -0.0002537800000000, -0.0005360100000000 ] - [ 0.0003462900000000, -0.0000020300000000, -0.0001050200000000 ] - [ -0.0020209200000000, -0.0209132900000000, -0.0001273500000000 ] - [ -0.0001376800000000, 0.0001455200000000, -0.0000237200000000 ] - [ -0.0001115500000000, -0.0000337400000000, 0.0000163900000000 ] - [ -0.0006418800000000, 0.0000293300000000, -0.0007381100000000 ] - [ 0.0028423500000000, -0.0044573900000000, 0.0135563300000000 ] - [ -0.0000091800000000, -0.0000047100000000, -0.0001304300000000 ] - [ -0.0003196100000000, 0.0018474300000000, 0.0002483200000000 ] - [ -0.0001109000000000, 0.0000408600000000, 0.0000135100000000 ] - [ -0.0003102500000000, -0.0002333600000000, -0.0000395600000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020663400000000, -0.0001248300000000, 0.0026217900000000 ] - [ 0.0000146200000000, 0.0000280200000000, -0.0018473300000000 ] - [ 0.0000568200000000, -0.0000005200000000, -0.0011170500000000 ] - [ 0.0003340600000000, 0.0002821200000000, 0.0047438800000000 ] - [ 0.0010120700000000, -0.0017864500000000, 0.0026371100000000 ] - [ 0.0000012600000000, -0.0000290100000000, -0.0017728300000000 ] - [ -0.0008255800000000, -0.0002452100000000, -0.0005912700000000 ] - [ -0.0006336700000000, 0.0010458900000000, 0.0009217900000000 ] - [ -0.0000961200000000, 0.0002893500000000, -0.0017093300000000 ] - [ 0.0012845300000000, -0.0000030200000000, 0.0002963600000000 ] - [ 0.0004106500000000, 0.0007958100000000, -0.0018542900000000 ] - [ -0.0001289700000000, 0.0000345100000000, -0.0012313400000000 ] - [ 0.0001592400000000, 0.0001099000000000, 0.0038768200000000 ] - [ -0.0000839400000000, 0.0001500700000000, -0.0011479700000000 ] - [ -0.0007334400000000, -0.0004665900000000, 0.0041622600000000 ] - [ 0.0031057100000000, 0.0006908200000000, 0.0068159500000000 ] - [ -0.0001853600000000, 0.0001836600000000, -0.0017358800000000 ] - [ -0.0004261600000000, -0.0009529200000000, 0.0001503100000000 ] - [ -0.0001014400000000, -0.0002712400000000, -0.0017291900000000 ] - [ 0.0000892200000000, 0.0001081200000000, -0.0010811900000000 ] - [ -0.0002667000000000, 0.0001468200000000, -0.0011679500000000 ] - [ 0.0005929900000000, -0.0006191700000000, -0.0012691300000000 ] - [ -0.0000407200000000, 0.0007355300000000, -0.0022259700000000 ] - [ 0.0002679500000000, 0.0000508700000000, -0.0017179300000000 ] - [ 0.0001574300000000, -0.0000360100000000, -0.0012193200000000 ] - [ -0.0010901200000000, 0.0026375000000000, 0.0069681700000000 ] - [ -0.0000159200000000, 0.0002188100000000, 0.0032595100000000 ] - [ 0.0003179900000000, -0.0000837300000000, -0.0076914800000000 ] - [ -0.0001951700000000, 0.0000720100000000, -0.0012183200000000 ] - [ 0.0001400700000000, -0.0000940200000000, -0.0007658900000000 ] - [ 0.0002200500000000, -0.0011911800000000, 0.0003416200000000 ] - [ 0.0000495100000000, -0.0001200300000000, -0.0010828500000000 ] - [ 0.0008667800000000, -0.0007183600000000, -0.0020005900000000 ] - [ -0.0002073700000000, -0.0001919000000000, -0.0017140400000000 ] - [ -0.0083957700000000, 0.0184719700000000, 0.0359435300000000 ] - [ 0.0001890700000000, -0.0000471900000000, -0.0012471100000000 ] - [ -0.0002601300000000, -0.0005593300000000, 0.0041970500000000 ] - [ -0.0001413800000000, 0.0000623100000000, -0.0007666800000000 ] - [ 0.0036058400000000, 0.0061002900000000, -0.0047343500000000 ] - [ 0.0005570900000000, -0.0001696700000000, 0.0038031800000000 ] - [ 0.0000212000000000, -0.0000371400000000, -0.0017048500000000 ] - [ -0.0006555000000000, 0.0004260400000000, 0.0037208100000000 ] - [ 0.0005307400000000, 0.0004675300000000, -0.0011893300000000 ] - [ -0.0001491100000000, 0.0000168700000000, -0.0013361000000000 ] - [ 0.0166451400000000, 0.0016225300000000, 0.0330923000000000 ] - [ 0.0001878800000000, 0.0012575600000000, -0.0002454800000000 ] - [ 0.0002783600000000, -0.0000624000000000, -0.0016933500000000 ] - [ 0.0002117800000000, -0.0005314700000000, -0.0013553900000000 ] - [ -0.0001117000000000, -0.0006735900000000, -0.0012155700000000 ] - [ 0.0176714500000000, 0.0288440800000000, 0.0351623000000000 ] - [ 0.0000221900000000, 0.0000360000000000, -0.0012816300000000 ] - [ -0.0000455100000000, 0.0000005300000000, -0.0013215400000000 ] - [ 0.0001800800000000, -0.0000515400000000, -0.0017914900000000 ] - [ 0.0000137800000000, -0.0000718500000000, -0.0012331900000000 ] - [ 0.0000185800000000, 0.0000353700000000, -0.0017145600000000 ] - [ -0.0000544500000000, -0.0000954000000000, -0.0014504800000000 ] - [ -0.0006123600000000, 0.0005665100000000, -0.0011934600000000 ] - [ -0.0045017600000000, 0.0005007000000000, -0.0019755600000000 ] - [ 0.0000683400000000, 0.0002270200000000, -0.0017983500000000 ] - [ -0.0026542800000000, -0.0044648500000000, 0.0076972600000000 ] - [ -0.0006205900000000, 0.0004581900000000, -0.0020680600000000 ] - [ 0.0028535300000000, -0.0038757800000000, -0.0021461000000000 ] - [ 0.0007249100000000, 0.0006990200000000, 0.0000570800000000 ] - [ -0.0002052300000000, -0.0001002900000000, -0.0020369300000000 ] - [ 0.0000170100000000, -0.0000336600000000, -0.0012792700000000 ] - [ 0.0001438800000000, -0.0000107400000000, -0.0021222500000000 ] - [ 0.0002780700000000, -0.0009659900000000, -0.0014015200000000 ] - [ -0.0000397000000000, 0.0000019300000000, -0.0017027500000000 ] - [ -0.0007549800000000, -0.0000828500000000, -0.0012966100000000 ] - [ -0.0001602900000000, -0.0000719600000000, -0.0012893200000000 ] - [ 0.0000175400000000, 0.0000190400000000, -0.0068482500000000 ] - [ -0.0385620700000000, -0.0735159800000000, -0.1373043800000000 ] - [ 0.0003019800000000, -0.0000386100000000, 0.0006007000000000 ] - [ -0.0000015500000000, -0.0002298500000000, 0.0011571200000000 ] - [ -0.0001901000000000, 0.0002281100000000, 0.0000544300000000 ] - [ 0.0003525400000000, 0.0000733000000000, 0.0008290300000000 ] - [ 0.0002627800000000, -0.0001532900000000, 0.0012317800000000 ] - [ -0.0001359600000000, 0.0002283600000000, 0.0012796100000000 ] - [ 0.0012593900000000, -0.0005861000000000, -0.0018814500000000 ] - [ 0.0001171100000000, 0.0001695000000000, 0.0014027300000000 ] - [ -0.0002183200000000, 0.0000208200000000, 0.0014709900000000 ] - [ 0.0000721000000000, -0.0001322600000000, -0.0000715900000000 ] - [ 0.0002032400000000, -0.0001125000000000, 0.0011663800000000 ] - [ -0.0003231800000000, 0.0022663300000000, -0.0067705700000000 ] - [ 0.0000602000000000, 0.0001048100000000, 0.0001993200000000 ] - [ 0.0000778500000000, 0.0001695500000000, 0.0012076100000000 ] - [ 0.0008604300000000, -0.0012753100000000, 0.0020545500000000 ] - [ -0.0001379700000000, -0.0002242700000000, 0.0012815100000000 ] - [ -0.0006786300000000, 0.0007051000000000, 0.0019385300000000 ] - [ -0.0012201600000000, 0.0002542600000000, 0.0021136600000000 ] - [ -0.0001280400000000, 0.0002828700000000, 0.0006017500000000 ] - [ -0.0003369900000000, 0.0003220900000000, -0.0000275100000000 ] - [ 0.0096107000000000, 0.0187223300000000, 0.0210850000000000 ] - [ 0.0000947200000000, -0.0001925400000000, 0.0011881700000000 ] - [ 0.0000476100000000, -0.0001559500000000, 0.0011577200000000 ] - [ 0.0000077200000000, 0.0000101200000000, 0.0010968000000000 ] - [ -0.0001602200000000, -0.0000176800000000, 0.0011406700000000 ] - [ -0.0001499600000000, 0.0002902600000000, 0.0013334000000000 ] - [ 0.0026716900000000, -0.0006502200000000, -0.0017205400000000 ] - [ 0.0000131000000000, 0.0014474500000000, -0.0017023500000000 ] - [ 0.0000871900000000, -0.0002043100000000, 0.0013957500000000 ] - [ -0.0002110900000000, 0.0000981100000000, 0.0010320500000000 ] - [ 0.0001627400000000, -0.0002598000000000, 0.0010790000000000 ] - [ -0.0145772400000000, 0.0018695200000000, 0.0121579200000000 ] - [ 0.0002184100000000, -0.0000073800000000, 0.0006822500000000 ] - [ -0.0008520300000000, -0.0013138200000000, -0.0019394700000000 ] - [ -0.0000694400000000, 0.0000321700000000, 0.0011009600000000 ] - [ 0.0002288800000000, -0.0000216000000000, 0.0012328800000000 ] - [ 0.0002483100000000, -0.0000458600000000, 0.0010602300000000 ] - [ 0.0006070400000000, 0.0018940900000000, 0.0018611200000000 ] - [ 0.0007541400000000, -0.0003638800000000, 0.0007374500000000 ] - [ -0.0004698300000000, 0.0001219500000000, 0.0008581100000000 ] - [ -0.0003336900000000, -0.0005012000000000, -0.0019706300000000 ] - [ -0.0000069600000000, 0.0002308400000000, 0.0011684900000000 ] - [ -0.0000576300000000, 0.0001659900000000, 0.0012924200000000 ] - [ -0.0000641000000000, 0.0002959600000000, 0.0006213900000000 ] - [ -0.0001980000000000, -0.0003388000000000, 0.0006175700000000 ] - [ 0.0003985400000000, -0.0007952600000000, -0.0021729300000000 ] - [ -0.0002481600000000, 0.0003531300000000, 0.0009015000000000 ] - [ -0.0001953400000000, 0.0003373900000000, 0.0006203500000000 ] - [ -0.0002093700000000, 0.0003559100000000, 0.0001572200000000 ] - [ 0.0002634800000000, -0.0002065500000000, 0.0002156300000000 ] - [ -0.0004109500000000, -0.0002349800000000, 0.0001700600000000 ] - [ -0.0000830500000000, 0.0001570100000000, 0.0011917300000000 ] - [ 0.0068370000000000, 0.0114525000000000, 0.0135915300000000 ] - [ 0.0000707400000000, 0.0001841000000000, 0.0011392400000000 ] - [ -0.0002832700000000, -0.0002273600000000, 0.0011014900000000 ] - [ 0.0002052800000000, -0.0000205100000000, 0.0008561600000000 ] - [ 0.0003955200000000, -0.0000012900000000, 0.0006282000000000 ] - [ -0.0000250900000000, 0.0004386200000000, -0.0025322500000000 ] - [ -0.0002125300000000, -0.0008281000000000, -0.0020491700000000 ] - [ 0.0002745400000000, -0.0000001800000000, 0.0012824300000000 ] - [ -0.0000392200000000, -0.0001770700000000, 0.0010269600000000 ] - [ -0.0014898000000000, -0.0003720900000000, 0.0013712800000000 ] - [ -0.0006783500000000, 0.0002335400000000, 0.0007346000000000 ] - [ -0.0001429800000000, -0.0002789500000000, 0.0013635200000000 ] - [ -0.0001155400000000, -0.0001708400000000, 0.0011143100000000 ] - [ 0.0014917200000000, -0.0011292700000000, -0.0058996200000000 ] - [ -0.0012058600000000, 0.0010570900000000, -0.0023633400000000 ] - [ -0.0001348300000000, 0.0000232500000000, 0.0011477700000000 ] - [ -0.0004180800000000, -0.0006503500000000, 0.0021110800000000 ] - [ 0.0001509500000000, 0.0000399300000000, 0.0008069000000000 ] - [ -0.0003322000000000, -0.0003068100000000, 0.0028532700000000 ] - [ 0.0012577600000000, -0.0004082900000000, -0.0072514400000000 ] - [ 0.0022048400000000, 0.0006218500000000, -0.0067689600000000 ] - [ 0.0000103500000000, -0.0000125400000000, 0.0010393600000000 ] - [ 0.0003846900000000, -0.0002403600000000, -0.0000300400000000 ] - [ -0.0000472100000000, 0.0000608100000000, 0.0008570900000000 ] - [ -0.0001254700000000, -0.0001354900000000, 0.0011815400000000 ] - [ 0.0001404400000000, 0.0005399200000000, -0.0023869500000000 ] - [ -0.0015742500000000, 0.0021399800000000, -0.0015691000000000 ] - [ -0.0002669800000000, -0.0003134600000000, -0.0024519200000000 ] - [ -0.0002155700000000, -0.0003607400000000, 0.0008477400000000 ] - [ 0.0005181200000000, 0.0000472100000000, 0.0009761900000000 ] - [ 0.0013812800000000, 0.0009557500000000, -0.0019392200000000 ] - [ -0.0001718800000000, -0.0000362100000000, 0.0010171800000000 ] - [ -0.0013230000000000, 0.0004105500000000, -0.0058968800000000 ] - [ -0.0002486900000000, 0.0001495200000000, 0.0012225900000000 ] - [ 0.0000385100000000, 0.0002313800000000, -0.0025623700000000 ] - [ 0.0002010800000000, 0.0001118400000000, 0.0011557800000000 ] - [ 0.0001949400000000, -0.0001078500000000, -0.0024218600000000 ] - [ -0.0000735900000000, 0.0000177200000000, 0.0009336200000000 ] - [ 0.0007365500000000, -0.0011815400000000, 0.0015548200000000 ] - [ -0.0008456200000000, 0.0015223600000000, 0.0021237000000000 ] - [ 0.0003030200000000, 0.0000077200000000, 0.0013517600000000 ] - [ -0.0009139100000000, 0.0004499700000000, -0.0070613800000000 ] - [ -0.0009342000000000, -0.0000675800000000, -0.0021763600000000 ] - [ -0.0001971100000000, 0.0001196900000000, 0.0011696800000000 ] - [ 0.0017311400000000, -0.0002547800000000, 0.0021231900000000 ] - [ 0.0073133100000000, -0.0112802000000000, 0.0103964800000000 ] - [ 0.0000776000000000, 0.0001168100000000, 0.0011291300000000 ] - [ 0.0007275500000000, -0.0005676200000000, 0.0018931900000000 ] - [ -0.0001963000000000, -0.0001222000000000, 0.0011834900000000 ] - [ -0.0000449000000000, 0.0001368400000000, 0.0007530600000000 ]- atom: 72 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0021341700000000, 0.0000239800000000, -0.0026609100000000 ] - [ -0.0000142200000000, -0.0000278300000000, 0.0018529100000000 ] - [ -0.0000573700000000, 0.0000008300000000, 0.0015249300000000 ] - [ -0.0003186100000000, -0.0000470000000000, -0.0051130900000000 ] - [ -0.0009583800000000, 0.0018974800000000, -0.0026757800000000 ] - [ -0.0000013900000000, 0.0000292000000000, 0.0017784900000000 ] - [ 0.0008206300000000, 0.0002459300000000, 0.0001951200000000 ] - [ 0.0006351900000000, -0.0010601000000000, -0.0005966000000000 ] - [ -0.0002246800000000, 0.0001260100000000, 0.0015160900000000 ] - [ -0.0013015300000000, 0.0000009000000000, -0.0011523400000000 ] - [ -0.0002662900000000, -0.0006060900000000, 0.0019494100000000 ] - [ 0.0001118200000000, 0.0000075900000000, 0.0016641600000000 ] - [ -0.0001530400000000, -0.0001153800000000, -0.0030695700000000 ] - [ 0.0000869500000000, -0.0001465000000000, 0.0017783400000000 ] - [ 0.0004725000000000, 0.0004250000000000, -0.0042138800000000 ] - [ -0.0030329200000000, -0.0004685000000000, -0.0068498600000000 ] - [ -0.0000160200000000, 0.0003019400000000, 0.0015434100000000 ] - [ 0.0004898000000000, 0.0008283600000000, -0.0007656000000000 ] - [ -0.0002184100000000, -0.0001460800000000, 0.0015376800000000 ] - [ -0.0000108100000000, 0.0000279600000000, 0.0017373500000000 ] - [ 0.0007856800000000, -0.0000799400000000, 0.0013726500000000 ] - [ -0.0008748000000000, 0.0001407600000000, 0.0011726600000000 ] - [ -0.0001611500000000, -0.0002493900000000, 0.0024268700000000 ] - [ 0.0002523700000000, -0.0001210000000000, 0.0015247200000000 ] - [ -0.0000911500000000, 0.0001530900000000, 0.0018503600000000 ] - [ 0.0008184100000000, -0.0031421000000000, -0.0068231000000000 ] - [ 0.0000038800000000, -0.0002157200000000, -0.0036341500000000 ] - [ -0.0004737100000000, 0.0000827500000000, 0.0070223600000000 ] - [ 0.0000613800000000, -0.0000713700000000, 0.0018495500000000 ] - [ -0.0003814500000000, 0.0001172100000000, 0.0008455500000000 ] - [ -0.0002132900000000, 0.0011901900000000, -0.0009547100000000 ] - [ 0.0000251500000000, -0.0000204400000000, 0.0017405700000000 ] - [ -0.0007330400000000, 0.0005306500000000, 0.0020919800000000 ] - [ 0.0000060600000000, -0.0002942000000000, 0.0015225800000000 ] - [ 0.0083345500000000, -0.0173253500000000, -0.0354051000000000 ] - [ -0.0001440900000000, 0.0000538000000000, 0.0016802700000000 ] - [ -0.0000276400000000, 0.0010221400000000, -0.0040686200000000 ] - [ 0.0002457500000000, -0.0002924000000000, 0.0008463000000000 ] - [ -0.0035898300000000, -0.0060777500000000, 0.0041174200000000 ] - [ -0.0004634200000000, -0.0000357400000000, -0.0038512900000000 ] - [ -0.0000379100000000, 0.0000800300000000, 0.0012812500000000 ] - [ 0.0004387100000000, -0.0003984500000000, -0.0037701000000000 ] - [ -0.0000097200000000, -0.0005364900000000, 0.0013942500000000 ] - [ -0.0000095600000000, -0.0000224800000000, 0.0019968000000000 ] - [ -0.0152494400000000, -0.0017879200000000, -0.0327089500000000 ] - [ -0.0001096500000000, -0.0011154800000000, -0.0003975400000000 ] - [ 0.0002425500000000, 0.0001307000000000, 0.0015005900000000 ] - [ -0.0005307700000000, 0.0009449200000000, 0.0015597400000000 ] - [ -0.0001400000000000, 0.0006512900000000, 0.0012986000000000 ] - [ -0.0179882100000000, -0.0293897200000000, -0.0353716100000000 ] - [ 0.0000729600000000, 0.0001289200000000, 0.0018528800000000 ] - [ -0.0001461300000000, -0.0000001300000000, 0.0018924900000000 ] - [ -0.0000836500000000, -0.0001131600000000, 0.0012307800000000 ] - [ 0.0000541700000000, -0.0000448600000000, 0.0018648000000000 ] - [ -0.0000388600000000, -0.0000703000000000, 0.0012936000000000 ] - [ 0.0000586000000000, 0.0001007500000000, 0.0020818500000000 ] - [ 0.0007133300000000, -0.0003414400000000, 0.0012765800000000 ] - [ 0.0045546900000000, -0.0003851600000000, 0.0013581700000000 ] - [ 0.0000270100000000, -0.0000614200000000, 0.0012373600000000 ] - [ 0.0027975500000000, 0.0046542200000000, -0.0077326200000000 ] - [ 0.0011877500000000, -0.0004596100000000, 0.0019791200000000 ] - [ -0.0029818400000000, 0.0038642600000000, 0.0015285200000000 ] - [ -0.0006464900000000, -0.0008377800000000, -0.0006999100000000 ] - [ 0.0000142500000000, 0.0001009800000000, 0.0014751500000000 ] - [ 0.0000791900000000, -0.0001319700000000, 0.0018501700000000 ] - [ -0.0004621800000000, -0.0004058600000000, 0.0023224600000000 ] - [ -0.0004781500000000, 0.0004769900000000, 0.0016029500000000 ] - [ 0.0000851400000000, 0.0000051400000000, 0.0012791100000000 ] - [ 0.0004796800000000, 0.0005650400000000, 0.0011994000000000 ] - [ 0.0001391100000000, 0.0000363800000000, 0.0017192900000000 ] - [ -0.0000142300000000, -0.0000235300000000, 0.0072075100000000 ] - [ 0.0379574000000000, 0.0727690500000000, 0.1356777300000000 ] - [ -0.0002412600000000, -0.0000707300000000, -0.0014733200000000 ] - [ 0.0001600400000000, 0.0000551500000000, -0.0010302500000000 ] - [ 0.0000425900000000, 0.0000294600000000, -0.0003262400000000 ] - [ -0.0003702100000000, -0.0001059000000000, -0.0013696500000000 ] - [ -0.0001635200000000, -0.0000351300000000, -0.0011694600000000 ] - [ 0.0001192800000000, -0.0001964000000000, -0.0007430600000000 ] - [ -0.0011442600000000, 0.0004076900000000, 0.0017968300000000 ] - [ 0.0001000200000000, 0.0002065400000000, -0.0014071000000000 ] - [ -0.0002282900000000, -0.0000232400000000, -0.0014742900000000 ] - [ 0.0000441600000000, 0.0001278400000000, -0.0003039500000000 ] - [ -0.0001294200000000, -0.0001140000000000, -0.0010415300000000 ] - [ 0.0005269900000000, -0.0020562000000000, 0.0063700700000000 ] - [ -0.0000428600000000, 0.0001360100000000, 0.0002233300000000 ] - [ -0.0001337400000000, -0.0000675100000000, -0.0008405200000000 ] - [ -0.0010874700000000, 0.0011793700000000, -0.0016557400000000 ] - [ 0.0001231600000000, 0.0001984300000000, -0.0007470500000000 ] - [ 0.0009701600000000, -0.0007036500000000, -0.0022039600000000 ] - [ 0.0019329600000000, -0.0002545700000000, -0.0017646000000000 ] - [ 0.0001906800000000, -0.0001774100000000, -0.0014740300000000 ] - [ 0.0002741300000000, -0.0002234000000000, -0.0003490300000000 ] - [ -0.0095658300000000, -0.0183969700000000, -0.0199124800000000 ] - [ -0.0001434400000000, 0.0000919300000000, -0.0008224700000000 ] - [ 0.0000684300000000, 0.0001534500000000, -0.0007884100000000 ] - [ -0.0000064900000000, -0.0000094600000000, -0.0014208000000000 ] - [ 0.0000998400000000, 0.0001166900000000, -0.0007711500000000 ] - [ -0.0001725400000000, 0.0002750500000000, -0.0013384400000000 ] - [ -0.0026360800000000, 0.0006966000000000, 0.0017880500000000 ] - [ -0.0002275600000000, -0.0014422100000000, 0.0016243000000000 ] - [ 0.0001339700000000, -0.0001837500000000, -0.0013994100000000 ] - [ 0.0002429900000000, -0.0000477800000000, -0.0011211800000000 ] - [ -0.0000021200000000, 0.0004385900000000, -0.0012121300000000 ] - [ 0.0144630800000000, -0.0020409900000000, -0.0120591100000000 ] - [ -0.0002349800000000, 0.0000382100000000, -0.0012246200000000 ] - [ 0.0009612500000000, 0.0014924600000000, 0.0018568300000000 ] - [ -0.0001621500000000, -0.0000790300000000, -0.0012318700000000 ] - [ 0.0000665900000000, 0.0000223200000000, -0.0009711200000000 ] - [ -0.0001512200000000, 0.0002308700000000, -0.0009957900000000 ] - [ -0.0006501600000000, -0.0019846600000000, -0.0022216300000000 ] - [ -0.0005004900000000, 0.0003646300000000, -0.0007260200000000 ] - [ 0.0005034600000000, -0.0001216100000000, -0.0014004500000000 ] - [ 0.0003952100000000, 0.0003884100000000, 0.0028264800000000 ] - [ 0.0001652500000000, -0.0000543900000000, -0.0010418600000000 ] - [ -0.0001736600000000, -0.0001180100000000, -0.0014252700000000 ] - [ 0.0000622000000000, -0.0002927400000000, -0.0003087700000000 ] - [ -0.0002062600000000, -0.0003615000000000, -0.0009390500000000 ] - [ -0.0004051000000000, 0.0008032500000000, 0.0021987100000000 ] - [ -0.0001618200000000, 0.0003413900000000, -0.0005865000000000 ] - [ -0.0002145200000000, 0.0003567000000000, -0.0009400800000000 ] - [ -0.0001330200000000, 0.0002487800000000, 0.0002154300000000 ] - [ -0.0000588600000000, 0.0000797500000000, 0.0002028400000000 ] - [ 0.0000671400000000, -0.0003655500000000, 0.0001983900000000 ] - [ -0.0000643600000000, 0.0000997700000000, -0.0009296600000000 ] - [ -0.0069417500000000, -0.0116280200000000, -0.0137371100000000 ] - [ 0.0000461700000000, -0.0001815500000000, -0.0007715200000000 ] - [ 0.0003572600000000, 0.0000032600000000, -0.0012328200000000 ] - [ -0.0002630200000000, 0.0000209000000000, -0.0009423000000000 ] - [ 0.0004105700000000, -0.0000066600000000, -0.0009479700000000 ] - [ -0.0003156700000000, 0.0001659400000000, 0.0021705400000000 ] - [ 0.0002717900000000, 0.0009294600000000, 0.0029039900000000 ] - [ -0.0002388000000000, 0.0000016100000000, -0.0007458600000000 ] - [ -0.0001753500000000, 0.0001726600000000, -0.0009641500000000 ] - [ 0.0014188000000000, 0.0002787500000000, -0.0017387000000000 ] - [ 0.0005512000000000, -0.0004650300000000, -0.0007231800000000 ] - [ -0.0001755800000000, -0.0002729200000000, -0.0013677000000000 ] - [ -0.0000104700000000, 0.0001706000000000, -0.0019931400000000 ] - [ -0.0011433400000000, 0.0010664600000000, 0.0058708500000000 ] - [ 0.0011475700000000, -0.0010496900000000, 0.0024254500000000 ] - [ 0.0000714300000000, -0.0001161200000000, -0.0007814800000000 ] - [ 0.0004187500000000, 0.0006493100000000, -0.0017942600000000 ] - [ 0.0000062200000000, -0.0002159000000000, -0.0009413900000000 ] - [ 0.0001154500000000, 0.0004171600000000, -0.0024555400000000 ] - [ -0.0006358500000000, 0.0003603000000000, 0.0068959800000000 ] - [ -0.0021256900000000, -0.0008200200000000, 0.0063717700000000 ] - [ -0.0000105800000000, 0.0000142000000000, -0.0013632600000000 ] - [ -0.0002668000000000, 0.0002445100000000, -0.0003484500000000 ] - [ 0.0001565800000000, -0.0002431100000000, -0.0007921200000000 ] - [ -0.0000219400000000, -0.0001203400000000, -0.0009196200000000 ] - [ -0.0002695200000000, -0.0003130700000000, 0.0023718800000000 ] - [ 0.0016662100000000, -0.0019543500000000, 0.0014845800000000 ] - [ -0.0000752200000000, -0.0002860400000000, 0.0020913000000000 ] - [ -0.0001878200000000, -0.0003381500000000, -0.0005309200000000 ] - [ 0.0002887700000000, -0.0000548900000000, -0.0006609500000000 ] - [ -0.0013425700000000, -0.0009987300000000, 0.0020113600000000 ] - [ 0.0002021000000000, -0.0000118900000000, -0.0011056800000000 ] - [ 0.0010969500000000, -0.0005885400000000, 0.0058691900000000 ] - [ 0.0000385800000000, -0.0001475900000000, -0.0011601100000000 ] - [ -0.0000215100000000, 0.0000107400000000, 0.0021494400000000 ] - [ -0.0001274500000000, 0.0001135100000000, -0.0010290200000000 ] - [ 0.0000076200000000, -0.0000166700000000, 0.0020144300000000 ] - [ 0.0001486300000000, 0.0002106700000000, -0.0010670800000000 ] - [ -0.0008806200000000, 0.0009208400000000, -0.0018177800000000 ] - [ 0.0010509200000000, -0.0013945800000000, -0.0017133400000000 ] - [ 0.0003477000000000, -0.0000044100000000, -0.0013568300000000 ] - [ 0.0006918400000000, -0.0006417200000000, 0.0066551000000000 ] - [ 0.0009442300000000, 0.0000652400000000, 0.0022024900000000 ] - [ -0.0000361400000000, -0.0001689300000000, -0.0010449000000000 ] - [ -0.0017280000000000, 0.0000169100000000, -0.0017139100000000 ] - [ -0.0074304800000000, 0.0111173700000000, -0.0103259900000000 ] - [ 0.0000321400000000, 0.0000618100000000, -0.0010641600000000 ] - [ -0.0007788600000000, 0.0006663600000000, -0.0022635400000000 ] - [ -0.0000343100000000, 0.0001721700000000, -0.0010565600000000 ] - [ -0.0000844500000000, 0.0000898000000000, -0.0007438000000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024251700000000, -0.0000206400000000, 0.0001249900000000 ] - [ -0.0001242900000000, 0.0000061200000000, 0.0001701400000000 ] - [ 0.0012988100000000, 0.0037439500000000, -0.0016543400000000 ] - [ -0.0005818200000000, -0.0003600200000000, 0.0000140800000000 ] - [ -0.0005213300000000, 0.0004118400000000, -0.0000572400000000 ] - [ 0.0000292000000000, -0.0001040700000000, -0.0000914300000000 ] - [ 0.0000031800000000, 0.0000052800000000, -0.0001822900000000 ] - [ -0.0012037400000000, -0.0034913900000000, 0.0010156900000000 ] - [ -0.0004345300000000, -0.0011693700000000, -0.0001330300000000 ] - [ -0.0009702500000000, 0.0033170000000000, 0.0003983000000000 ] - [ 0.0007692700000000, 0.0014249700000000, -0.0001279300000000 ] - [ -0.0000034800000000, 0.0000457600000000, 0.0002607100000000 ] - [ 0.0000399600000000, -0.0000156200000000, 0.0009846200000000 ] - [ 0.0024003600000000, -0.0069748800000000, -0.0012479100000000 ] - [ -0.0001135600000000, 0.0001487600000000, -0.0000714600000000 ] - [ 0.0001720300000000, 0.0000501100000000, -0.0000527600000000 ] - [ -0.0024668600000000, 0.0002350400000000, -0.0002419700000000 ] - [ 0.0000477400000000, -0.0000382500000000, -0.0003014500000000 ] - [ -0.0017397200000000, -0.0004560000000000, 0.0018648100000000 ] - [ -0.0023165600000000, -0.0009042600000000, 0.0003067500000000 ] - [ 0.0002638400000000, 0.0000244600000000, 0.0001029100000000 ] - [ -0.0062575300000000, -0.0013353500000000, 0.0025684300000000 ] - [ -0.0001269100000000, 0.0002430700000000, 0.0001092000000000 ] - [ -0.0005850000000000, 0.0003400600000000, 0.0014665500000000 ] - [ -0.0075190200000000, -0.0004750900000000, -0.0039006900000000 ] - [ -0.0003185200000000, -0.0001959900000000, 0.0000442600000000 ] - [ 0.0000324800000000, 0.0000180100000000, 0.0004602500000000 ] - [ -0.0000856900000000, -0.0000056700000000, -0.0003139200000000 ] - [ 0.0010513500000000, -0.0052975700000000, 0.0020051100000000 ] - [ 0.0143926400000000, -0.0004531700000000, 0.0031077300000000 ] - [ 0.0000045600000000, -0.0000042400000000, -0.0002732700000000 ] - [ 0.0214737000000000, 0.0003872900000000, -0.0014592500000000 ] - [ -0.0064750600000000, 0.0011176400000000, 0.0034913700000000 ] - [ 0.0017106400000000, 0.0004587500000000, 0.0004903700000000 ] - [ 0.0002822100000000, -0.0001704400000000, 0.0000246700000000 ] - [ 0.0000438300000000, 0.0000169700000000, 0.0002671800000000 ] - [ -0.0000049800000000, 0.0003065600000000, 0.0000398900000000 ] - [ 0.0000291100000000, -0.0017358600000000, -0.0005491700000000 ] - [ -0.0000016300000000, 0.0000008300000000, -0.0003468600000000 ] - [ 0.0000700000000000, -0.0001689200000000, 0.0000240800000000 ] - [ -0.0000533100000000, 0.0004242400000000, -0.0000441000000000 ] - [ -0.0001276500000000, 0.0000160500000000, 0.0000389300000000 ] - [ 0.0002618100000000, -0.0000311000000000, 0.0001195700000000 ] - [ -0.0021602200000000, 0.0005979700000000, 0.0004450100000000 ] - [ -0.0001003600000000, -0.0001403500000000, -0.0000422600000000 ] - [ 0.0000314100000000, 0.0000685800000000, -0.0003138300000000 ] - [ -0.0007302600000000, -0.0031033400000000, -0.0029932200000000 ] - [ -0.0001633900000000, 0.0001942400000000, 0.0001138700000000 ] - [ -0.0028255600000000, 0.0049301600000000, -0.0032478700000000 ] - [ 0.0000863400000000, -0.0000091800000000, -0.0013215100000000 ] - [ -0.0003181100000000, -0.0000542300000000, 0.0002715400000000 ] - [ -0.0003826100000000, 0.0000155100000000, 0.0003341700000000 ] - [ 0.0000756000000000, -0.0000873900000000, -0.0002629200000000 ] - [ 0.0022319200000000, 0.0053411500000000, 0.0027101400000000 ] - [ 0.0001894900000000, 0.0005666800000000, -0.0009520500000000 ] - [ -0.0099177400000000, -0.0006991900000000, 0.0039366700000000 ] - [ 0.0200643600000000, -0.0016937000000000, -0.0010246800000000 ] - [ 0.0000064600000000, 0.0000591000000000, -0.0002958900000000 ] - [ 0.0000247100000000, 0.0000678300000000, -0.0002844100000000 ] - [ 0.0001048200000000, 0.0001516000000000, 0.0000275300000000 ] - [ -0.0022027400000000, -0.0042940500000000, -0.0026223100000000 ] - [ -0.0000581200000000, -0.0000207900000000, -0.0003013700000000 ] - [ 0.0000505100000000, -0.0000701400000000, -0.0003129300000000 ] - [ -0.0001155900000000, 0.0000012000000000, -0.0002584700000000 ] - [ 0.0009699900000000, 0.0000871300000000, 0.0003381400000000 ] - [ -0.0001575300000000, -0.0002129300000000, 0.0001197500000000 ] - [ -0.0000890100000000, -0.0002419000000000, 0.0001134100000000 ] - [ 0.0005229000000000, 0.0000398300000000, 0.0001531500000000 ] - [ 0.0226400100000000, -0.0011612100000000, 0.0020275700000000 ] - [ 0.0000066800000000, 0.0000170700000000, 0.0001239000000000 ] - [ -0.0065670500000000, -0.0000569000000000, -0.0016135300000000 ] - [ 0.0000255100000000, 0.0002899400000000, 0.0000662400000000 ] - [ -0.1223639700000000, 0.0046905800000000, -0.0025978000000000 ] - [ -0.0009467800000000, 0.0004860200000000, 0.0006653100000000 ] - [ -0.0000833400000000, 0.0001263600000000, -0.0001419600000000 ] - [ 0.0000015900000000, -0.0000079300000000, -0.0002438400000000 ] - [ 0.0113437400000000, 0.0097686300000000, -0.0001339100000000 ] - [ 0.0000780100000000, -0.0005151200000000, -0.0004922200000000 ] - [ 0.0000642100000000, -0.0000939900000000, -0.0000705800000000 ] - [ 0.0001902500000000, 0.0002017400000000, 0.0000184800000000 ] - [ -0.0001745500000000, 0.0000251500000000, -0.0000438800000000 ] - [ 0.0000601300000000, -0.0000093600000000, -0.0001945800000000 ] - [ -0.0000810700000000, -0.0002686800000000, -0.0007801700000000 ] - [ 0.0002218900000000, -0.0001623800000000, 0.0000705700000000 ] - [ 0.0011661300000000, 0.0016940200000000, -0.0003534100000000 ] - [ 0.0021193200000000, -0.0005889600000000, 0.0013628500000000 ] - [ -0.0001099600000000, 0.0009241600000000, 0.0004499100000000 ] - [ 0.0009553500000000, -0.0002213700000000, 0.0016307200000000 ] - [ 0.0001508200000000, 0.0000074100000000, -0.0001428800000000 ] - [ 0.0013430200000000, -0.0016685100000000, -0.0004789100000000 ] - [ 0.0034555900000000, 0.0004450600000000, -0.0005093600000000 ] - [ -0.0000294900000000, 0.0000495300000000, -0.0001952000000000 ] - [ -0.0000324600000000, 0.0000527200000000, 0.0004244500000000 ] - [ -0.0001803000000000, -0.0008404900000000, 0.0002133600000000 ] - [ 0.0011248700000000, -0.0011187100000000, -0.0010549400000000 ] - [ 0.0016364200000000, 0.0000094600000000, -0.0019170300000000 ] - [ -0.0000323900000000, 0.0009725400000000, 0.0000986900000000 ] - [ -0.0001591900000000, 0.0002122100000000, -0.0001225700000000 ] - [ 0.0000246500000000, 0.0000292200000000, 0.0000039500000000 ] - [ -0.0001294000000000, -0.0000076000000000, -0.0000552100000000 ] - [ -0.0000364800000000, -0.0002331300000000, -0.0000351800000000 ] - [ 0.0170742200000000, -0.0075591400000000, -0.0006619100000000 ] - [ 0.0000938400000000, 0.0000840300000000, -0.0000819900000000 ] - [ 0.0000348500000000, -0.0000705800000000, -0.0000054100000000 ] - [ -0.0000169000000000, 0.0000164400000000, -0.0002911000000000 ] - [ 0.0000351700000000, 0.0000673400000000, -0.0000058000000000 ] - [ -0.0001199000000000, -0.0000129000000000, -0.0000698400000000 ] - [ 0.0009443800000000, 0.0010754500000000, -0.0008309200000000 ] - [ 0.0000780600000000, 0.0030398900000000, -0.0000833200000000 ] - [ -0.0000236200000000, -0.0000513300000000, -0.0001943100000000 ] - [ -0.0007647500000000, 0.0023315900000000, 0.0009751100000000 ] - [ 0.0000228200000000, 0.0000035700000000, -0.0002927100000000 ] - [ -0.0000273200000000, -0.0000592900000000, 0.0004214600000000 ] - [ 0.0007584100000000, 0.0000595900000000, -0.0002107300000000 ] - [ -0.0001031100000000, 0.0000294300000000, -0.0000866600000000 ] - [ -0.0000021100000000, 0.0000034700000000, 0.0001466400000000 ] - [ -0.0001991100000000, -0.0004341500000000, -0.0002050100000000 ] - [ 0.0002999800000000, 0.0007402500000000, -0.0012278600000000 ] - [ -0.0002487300000000, 0.0003298000000000, 0.0001628400000000 ] - [ -0.0007572800000000, 0.0000912300000000, -0.0000172300000000 ] - [ -0.0021226100000000, -0.0070764700000000, -0.0100138100000000 ] - [ -0.0015011100000000, 0.0079905800000000, -0.0110790700000000 ] - [ -0.0001599300000000, -0.0012377700000000, 0.0005771400000000 ] - [ -0.0021568000000000, -0.0025122100000000, -0.0036128900000000 ] - [ 0.0014007300000000, -0.0000005600000000, 0.0022748900000000 ] - [ 0.0038595700000000, 0.0016700400000000, 0.0108939700000000 ] - [ 0.0000275500000000, -0.0001131500000000, -0.0000821800000000 ] - [ -0.0032909700000000, 0.0017105700000000, 0.0001241700000000 ] - [ 0.0004774700000000, -0.0003068200000000, -0.0000608600000000 ] - [ -0.0002312100000000, 0.0004146000000000, -0.0002901100000000 ] - [ 0.0000683400000000, 0.0000020800000000, 0.0004263900000000 ] - [ 0.0001308200000000, 0.0006604100000000, -0.0005516300000000 ] - [ -0.0051132000000000, 0.0006012900000000, -0.0003716200000000 ] - [ -0.0000418700000000, -0.0000449700000000, -0.0001931100000000 ] - [ 0.0030465400000000, 0.0001791300000000, -0.0021465700000000 ] - [ -0.0002040500000000, -0.0003564800000000, 0.0002410300000000 ] - [ 0.0032009800000000, -0.0002989600000000, -0.0002840700000000 ] - [ 0.0000840100000000, 0.0000869500000000, 0.0000152900000000 ] - [ -0.0000478700000000, 0.0000067900000000, 0.0000256400000000 ] - [ -0.0018145400000000, 0.0036438200000000, -0.0056039600000000 ] - [ 0.0000032800000000, -0.0000000200000000, 0.0001548300000000 ] - [ 0.0000646100000000, -0.0000900900000000, -0.0000717600000000 ] - [ 0.0025910600000000, 0.0006615800000000, 0.0005748700000000 ] - [ 0.0004845400000000, 0.0000160000000000, -0.0003253900000000 ] - [ -0.0002753600000000, -0.0001174500000000, -0.0000335300000000 ] - [ -0.0006632200000000, 0.0015275400000000, 0.0007071900000000 ] - [ 0.0000520000000000, 0.0000025000000000, -0.0001947500000000 ] - [ 0.0120006100000000, 0.0081215600000000, 0.0004198000000000 ] - [ 0.0020590400000000, 0.0005353100000000, 0.0010948000000000 ] - [ -0.0001252300000000, 0.0000293500000000, 0.0000157500000000 ] - [ 0.0000570400000000, 0.0001144900000000, -0.0000582700000000 ] - [ -0.0002344400000000, -0.0004226900000000, -0.0003200500000000 ] - [ -0.0001993100000000, -0.0003426100000000, 0.0001379000000000 ] - [ 0.0004120400000000, -0.0000466800000000, 0.0001626000000000 ] - [ 0.0000180700000000, -0.0000467800000000, 0.0000229900000000 ] - [ -0.0005606100000000, -0.0028467100000000, -0.0000765300000000 ] - [ 0.0000412700000000, -0.0001162400000000, -0.0000682100000000 ] - [ 0.0057415500000000, 0.0006134000000000, 0.0003673500000000 ] - [ 0.0001629400000000, 0.0001113500000000, -0.0003588000000000 ] - [ 0.0002279400000000, 0.0005820700000000, 0.0003311700000000 ] - [ 0.0000390100000000, -0.0001833600000000, -0.0003278500000000 ] - [ 0.0000472300000000, 0.0001211300000000, -0.0000650100000000 ] - [ -0.0000639000000000, -0.0001280400000000, -0.0001364500000000 ] - [ 0.0028779500000000, -0.0004695100000000, 0.0008527600000000 ] - [ 0.0002412200000000, -0.0000192800000000, -0.0001330200000000 ] - [ -0.0001741100000000, 0.0000677000000000, -0.0003672600000000 ] - [ 0.0002549800000000, -0.0006870700000000, -0.0011125300000000 ] - [ -0.0001291400000000, 0.0003115000000000, 0.0001035500000000 ] - [ 0.0107597900000000, 0.0000318500000000, 0.0211864000000000 ] - [ -0.0000580700000000, 0.0000026500000000, -0.0000122300000000 ] - [ 0.0168913100000000, -0.0137082600000000, 0.0002768600000000 ] - [ -0.0000177200000000, 0.0000531000000000, -0.0001923900000000 ] - [ 0.0005675600000000, 0.0001070300000000, -0.0001785900000000 ] - [ -0.0013741300000000, -0.0023650300000000, 0.0011338800000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023609700000000, -0.0000793200000000, -0.0001172800000000 ] - [ 0.0001259200000000, -0.0000062800000000, -0.0001703200000000 ] - [ -0.0013169300000000, -0.0037565500000000, 0.0020680100000000 ] - [ 0.0004661500000000, 0.0003571400000000, -0.0000175500000000 ] - [ 0.0005804300000000, -0.0003059800000000, 0.0000537300000000 ] - [ -0.0000296800000000, 0.0001043400000000, 0.0000914900000000 ] - [ -0.0000030100000000, -0.0000053200000000, -0.0002215300000000 ] - [ 0.0011782400000000, 0.0034666900000000, -0.0006795200000000 ] - [ 0.0001165700000000, 0.0015885700000000, -0.0000618300000000 ] - [ 0.0009500300000000, -0.0032999000000000, -0.0012449100000000 ] - [ -0.0006047800000000, -0.0012541500000000, 0.0002185800000000 ] - [ -0.0000130000000000, -0.0000040500000000, 0.0001661200000000 ] - [ -0.0000416500000000, 0.0000122500000000, -0.0001381400000000 ] - [ -0.0024485100000000, 0.0070187300000000, 0.0018761200000000 ] - [ -0.0001344600000000, -0.0001740900000000, -0.0000090000000000 ] - [ -0.0000760300000000, 0.0001762200000000, -0.0000286100000000 ] - [ 0.0022694900000000, 0.0002501800000000, 0.0000533100000000 ] - [ 0.0000205400000000, -0.0000782000000000, -0.0003252100000000 ] - [ 0.0014468500000000, 0.0000347700000000, -0.0020692800000000 ] - [ 0.0023986700000000, 0.0010551400000000, 0.0003583500000000 ] - [ 0.0002568600000000, 0.0000427900000000, 0.0000948700000000 ] - [ 0.0059955000000000, 0.0008619800000000, -0.0026933100000000 ] - [ -0.0000749900000000, 0.0002414700000000, 0.0000885900000000 ] - [ 0.0011268200000000, -0.0004086400000000, -0.0016659000000000 ] - [ 0.0076044500000000, 0.0005940600000000, 0.0045723200000000 ] - [ 0.0000397200000000, -0.0002859900000000, 0.0000529100000000 ] - [ -0.0000391700000000, -0.0000199600000000, -0.0007948000000000 ] - [ -0.0000736100000000, 0.0000000100000000, -0.0003400700000000 ] - [ -0.0011436100000000, 0.0053054900000000, -0.0013682200000000 ] - [ -0.0164815100000000, 0.0005241000000000, -0.0017387100000000 ] - [ -0.0000033000000000, 0.0000081400000000, -0.0003524000000000 ] - [ -0.0215106800000000, -0.0005094400000000, 0.0027082600000000 ] - [ 0.0066311200000000, -0.0013218500000000, -0.0034388400000000 ] - [ -0.0019244100000000, -0.0009548600000000, -0.0006940800000000 ] - [ 0.0002764300000000, 0.0001690600000000, 0.0000747800000000 ] - [ 0.0000006700000000, -0.0000103800000000, 0.0001596000000000 ] - [ -0.0002742400000000, 0.0001765800000000, 0.0000599600000000 ] - [ 0.0000840500000000, 0.0015325200000000, 0.0006408900000000 ] - [ 0.0000046700000000, 0.0000022500000000, -0.0002790200000000 ] - [ 0.0000319700000000, -0.0000591800000000, -0.0001042200000000 ] - [ 0.0000384700000000, -0.0003846900000000, -0.0003835500000000 ] - [ -0.0001115100000000, 0.0000059000000000, -0.0001191200000000 ] - [ 0.0002586900000000, -0.0000397200000000, 0.0000784400000000 ] - [ 0.0020035900000000, -0.0006207000000000, 0.0002212800000000 ] - [ 0.0002384700000000, -0.0000558200000000, -0.0000384800000000 ] - [ 0.0000468700000000, 0.0000667400000000, -0.0003384700000000 ] - [ 0.0012464400000000, 0.0031751600000000, 0.0028020200000000 ] - [ -0.0001578700000000, 0.0002210100000000, 0.0000841900000000 ] - [ 0.0025778000000000, -0.0049361900000000, 0.0033054300000000 ] - [ -0.0000839200000000, 0.0000021100000000, 0.0009809800000000 ] - [ 0.0004133900000000, 0.0002201800000000, 0.0002970600000000 ] - [ 0.0001923200000000, -0.0000168400000000, 0.0002335400000000 ] - [ 0.0000204400000000, -0.0000775700000000, -0.0003041900000000 ] - [ -0.0021190000000000, -0.0054620700000000, -0.0020732300000000 ] - [ -0.0002112500000000, -0.0006030800000000, 0.0005305100000000 ] - [ 0.0098903000000000, 0.0007030400000000, -0.0032903500000000 ] - [ -0.0198480500000000, 0.0022849900000000, 0.0014219500000000 ] - [ 0.0000607300000000, 0.0000572000000000, -0.0003306500000000 ] - [ 0.0000707900000000, 0.0000973200000000, -0.0002823000000000 ] - [ 0.0000437700000000, 0.0000441900000000, -0.0001090000000000 ] - [ 0.0027622300000000, 0.0042735700000000, 0.0025011600000000 ] - [ -0.0000765700000000, 0.0000214300000000, -0.0003253000000000 ] - [ 0.0000244500000000, -0.0000707600000000, -0.0003410800000000 ] - [ -0.0000751600000000, -0.0000006500000000, -0.0003081700000000 ] - [ -0.0008782400000000, -0.0002528700000000, 0.0002258700000000 ] - [ -0.0001621800000000, -0.0002045500000000, 0.0000766900000000 ] - [ -0.0001124100000000, -0.0002439800000000, 0.0000830800000000 ] - [ -0.0004814500000000, -0.0000318900000000, -0.0005827300000000 ] - [ -0.0227941700000000, 0.0012076300000000, -0.0017307900000000 ] - [ -0.0000274300000000, -0.0000530000000000, 0.0003004700000000 ] - [ 0.0065782400000000, 0.0000494000000000, 0.0019452300000000 ] - [ -0.0002405500000000, -0.0001770000000000, -0.0004771600000000 ] - [ 0.1240877700000000, -0.0047443900000000, -0.0010127300000000 ] - [ 0.0011105000000000, -0.0006628100000000, -0.0005365200000000 ] - [ -0.0000639400000000, 0.0001294600000000, -0.0001225400000000 ] - [ -0.0000196100000000, -0.0000236100000000, -0.0002936400000000 ] - [ -0.0110820100000000, -0.0098060300000000, 0.0001917600000000 ] - [ -0.0000989300000000, 0.0005533700000000, 0.0010381600000000 ] - [ 0.0000462500000000, -0.0000861900000000, 0.0000034100000000 ] - [ 0.0000270600000000, 0.0001742300000000, -0.0000191100000000 ] - [ -0.0002726100000000, -0.0000276300000000, 0.0000444400000000 ] - [ 0.0000552400000000, 0.0000057900000000, -0.0001746700000000 ] - [ 0.0001517700000000, 0.0000430800000000, 0.0009134700000000 ] - [ -0.0000223200000000, 0.0002990000000000, -0.0004876200000000 ] - [ -0.0011410200000000, -0.0014597600000000, 0.0007814800000000 ] - [ -0.0021800400000000, 0.0006937600000000, -0.0010058700000000 ] - [ -0.0001036600000000, -0.0010215900000000, -0.0000343800000000 ] - [ -0.0009710100000000, 0.0001958100000000, -0.0010996300000000 ] - [ 0.0001446100000000, -0.0000071300000000, -0.0001216200000000 ] - [ -0.0006413800000000, 0.0016800300000000, 0.0008569800000000 ] - [ -0.0033962500000000, -0.0003645700000000, -0.0003568000000000 ] - [ -0.0000310700000000, 0.0000484700000000, -0.0001741200000000 ] - [ -0.0000950100000000, -0.0000551100000000, 0.0004457200000000 ] - [ 0.0001302200000000, 0.0007505100000000, 0.0001568700000000 ] - [ -0.0010161500000000, 0.0011142900000000, 0.0014162100000000 ] - [ -0.0016447800000000, -0.0000075500000000, 0.0015845100000000 ] - [ -0.0000281100000000, -0.0008844300000000, 0.0002747100000000 ] - [ -0.0001638600000000, 0.0003539100000000, 0.0001225800000000 ] - [ 0.0000058300000000, 0.0000230500000000, 0.0000814500000000 ] - [ -0.0000838900000000, 0.0000026700000000, -0.0000119300000000 ] - [ 0.0002585100000000, -0.0001553300000000, 0.0000368100000000 ] - [ -0.0173012900000000, 0.0077617200000000, 0.0005668500000000 ] - [ 0.0000673400000000, 0.0000944100000000, -0.0000472900000000 ] - [ 0.0000676200000000, -0.0001166900000000, -0.0000615600000000 ] - [ 0.0000002200000000, 0.0000122200000000, -0.0002478400000000 ] - [ 0.0000741700000000, 0.0001103100000000, -0.0000626100000000 ] - [ -0.0001107300000000, -0.0000355100000000, -0.0000577700000000 ] - [ -0.0006585100000000, -0.0010749800000000, 0.0010866400000000 ] - [ 0.0000163500000000, -0.0028575200000000, 0.0001527600000000 ] - [ -0.0000246300000000, -0.0000496900000000, -0.0001741100000000 ] - [ 0.0010124100000000, -0.0023309400000000, -0.0009620300000000 ] - [ 0.0000106600000000, -0.0000039000000000, -0.0002461900000000 ] - [ 0.0000888500000000, -0.0000526200000000, 0.0004486000000000 ] - [ -0.0006026000000000, 0.0001158800000000, 0.0003371000000000 ] - [ -0.0001277600000000, 0.0000189100000000, -0.0000432300000000 ] - [ 0.0000015600000000, -0.0000018000000000, 0.0001739000000000 ] - [ -0.0002049600000000, -0.0002668000000000, -0.0001151400000000 ] - [ -0.0002976600000000, -0.0007366800000000, 0.0012213500000000 ] - [ -0.0001609000000000, 0.0003646400000000, 0.0001550700000000 ] - [ 0.0003503900000000, 0.0006030000000000, -0.0003005500000000 ] - [ 0.0018457500000000, 0.0076604000000000, 0.0103674900000000 ] - [ 0.0017840900000000, -0.0080962400000000, 0.0114771700000000 ] - [ -0.0001850500000000, 0.0006277000000000, -0.0002137600000000 ] - [ 0.0019820000000000, 0.0027839600000000, 0.0039020500000000 ] - [ -0.0013997700000000, -0.0000006700000000, -0.0022687600000000 ] - [ -0.0037625100000000, -0.0016733500000000, -0.0106309100000000 ] - [ 0.0000456900000000, -0.0001107700000000, -0.0000450500000000 ] - [ 0.0032168500000000, -0.0017947100000000, -0.0002159500000000 ] - [ 0.0003288300000000, 0.0003004700000000, -0.0002575500000000 ] - [ -0.0001125200000000, 0.0001916400000000, -0.0000780500000000 ] - [ -0.0000077100000000, 0.0001021300000000, 0.0004433900000000 ] - [ -0.0000969900000000, -0.0006657000000000, 0.0010963600000000 ] - [ 0.0049096800000000, -0.0005085200000000, 0.0004392300000000 ] - [ -0.0000213600000000, -0.0000475400000000, -0.0001753000000000 ] - [ -0.0031815500000000, -0.0004091500000000, 0.0021817700000000 ] - [ -0.0001143800000000, -0.0001958300000000, -0.0002419800000000 ] - [ -0.0033306200000000, 0.0003258100000000, -0.0005841400000000 ] - [ 0.0001740600000000, -0.0000884700000000, -0.0000282700000000 ] - [ -0.0000090600000000, -0.0000058800000000, 0.0000586800000000 ] - [ 0.0016993100000000, -0.0037440000000000, 0.0060035000000000 ] - [ -0.0000013700000000, 0.0000001600000000, 0.0001658800000000 ] - [ 0.0000933000000000, -0.0000854700000000, -0.0000579200000000 ] - [ -0.0028085700000000, -0.0005450500000000, -0.0001539100000000 ] - [ 0.0002131900000000, -0.0000107200000000, -0.0000425300000000 ] - [ 0.0002886500000000, -0.0001231700000000, -0.0003820100000000 ] - [ 0.0006713400000000, -0.0015302200000000, -0.0010320200000000 ] - [ 0.0000644700000000, 0.0000008300000000, -0.0001764700000000 ] - [ -0.0120830900000000, -0.0084438700000000, -0.0003703400000000 ] - [ -0.0022090100000000, -0.0007917400000000, -0.0008422700000000 ] - [ -0.0000054200000000, 0.0001931100000000, -0.0000288900000000 ] - [ 0.0000424700000000, 0.0000692000000000, -0.0000102300000000 ] - [ -0.0001128400000000, -0.0001792000000000, -0.0000457300000000 ] - [ -0.0002041600000000, -0.0003566600000000, 0.0001821200000000 ] - [ 0.0003946000000000, 0.0000389300000000, 0.0001551200000000 ] - [ 0.0000115400000000, -0.0000022800000000, 0.0000614800000000 ] - [ 0.0005786300000000, 0.0027893300000000, -0.0000073300000000 ] - [ -0.0001712800000000, -0.0001102000000000, 0.0000568300000000 ] - [ -0.0059621000000000, -0.0006131400000000, -0.0002999700000000 ] - [ -0.0001426700000000, 0.0001296500000000, -0.0000595800000000 ] - [ -0.0001536700000000, -0.0003595900000000, -0.0002030200000000 ] - [ 0.0001661400000000, 0.0000527100000000, -0.0000848500000000 ] - [ 0.0000273100000000, 0.0001075100000000, -0.0000644700000000 ] - [ -0.0000839800000000, -0.0001279200000000, -0.0001275600000000 ] - [ -0.0026814400000000, 0.0006034800000000, -0.0004270400000000 ] - [ 0.0004106800000000, 0.0000222400000000, 0.0001330900000000 ] - [ -0.0000419100000000, -0.0001746500000000, -0.0000487300000000 ] - [ -0.0002531300000000, 0.0006808900000000, 0.0011075000000000 ] - [ -0.0001036100000000, -0.0003610100000000, 0.0000230600000000 ] - [ -0.0107100000000000, -0.0002701000000000, -0.0205457800000000 ] - [ -0.0001524000000000, 0.0000026800000000, -0.0000547400000000 ] - [ -0.0165392000000000, 0.0136594000000000, -0.0002168600000000 ] - [ -0.0000373100000000, 0.0000493600000000, -0.0001788100000000 ] - [ -0.0008012600000000, -0.0000560200000000, 0.0003053500000000 ] - [ 0.0012308500000000, 0.0025881200000000, -0.0011191000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000171300000000, -0.0000296600000000, -0.0068320500000000 ] - [ 0.0002005000000000, 0.0000034900000000, -0.0020097900000000 ] - [ -0.0023885900000000, 0.0041371600000000, 0.0023233200000000 ] - [ -0.0000308400000000, -0.0000117400000000, -0.0003212300000000 ] - [ 0.0000255900000000, 0.0000208400000000, -0.0003212300000000 ] - [ -0.0001032700000000, -0.0001718900000000, -0.0020097900000000 ] - [ 0.0000068900000000, -0.0000119400000000, -0.0017283500000000 ] - [ 0.0038528800000000, 0.0071046000000000, 0.0007940500000000 ] - [ -0.0001493400000000, 0.0006559100000000, 0.0001238400000000 ] - [ 0.0040372600000000, -0.0069927300000000, 0.0002624600000000 ] - [ 0.0004074600000000, -0.0000518000000000, 0.0058296100000000 ] - [ -0.0000493600000000, 0.0000855000000000, -0.0014282900000000 ] - [ 0.0001498100000000, -0.0002594800000000, -0.0015844100000000 ] - [ -0.0016469400000000, -0.0026466100000000, 0.0060220900000000 ] - [ -0.0000253300000000, -0.0000103200000000, -0.0015245200000000 ] - [ -0.0001984500000000, -0.0002470800000000, -0.0018519400000000 ] - [ -0.0004933600000000, 0.0004572800000000, 0.0001238400000000 ] - [ 0.0000257700000000, -0.0000446400000000, -0.0020504800000000 ] - [ 0.0053828600000000, -0.0000544000000000, -0.0033375800000000 ] - [ 0.0000337800000000, -0.0001369100000000, 0.0037127500000000 ] - [ 0.0002353100000000, 0.0001384300000000, -0.0017275700000000 ] - [ 0.0000408700000000, 0.0000609300000000, 0.0053840800000000 ] - [ -0.0000086500000000, 0.0002838400000000, -0.0017110400000000 ] - [ 0.0044488100000000, -0.0004485000000000, -0.0018751700000000 ] - [ -0.0061336300000000, 0.0003754900000000, 0.0074365800000000 ] - [ -0.0001548300000000, -0.0003187100000000, -0.0014158900000000 ] - [ 0.0001405300000000, 0.0002480200000000, -0.0021753100000000 ] - [ -0.0000043200000000, -0.0000018500000000, -0.0019680500000000 ] - [ 0.0027416300000000, 0.0054996300000000, 0.0074365800000000 ] - [ 0.0035100100000000, 0.0005285300000000, 0.0270626800000000 ] - [ 0.0000256400000000, 0.0000469400000000, -0.0020634400000000 ] - [ -0.0006755400000000, 0.0011700700000000, 0.0970270000000000 ] - [ 0.0003098500000000, -0.0002930700000000, 0.0054373000000000 ] - [ -0.0018359900000000, -0.0040770300000000, -0.0018751700000000 ] - [ 0.0003534200000000, -0.0000252700000000, -0.0014158900000000 ] - [ 0.0000887600000000, 0.0000471600000000, -0.0015160700000000 ] - [ -0.0003437500000000, 0.0005953900000000, -0.0017439100000000 ] - [ 0.0000988800000000, -0.0004148700000000, 0.0054373000000000 ] - [ -0.0000534700000000, 0.0000012600000000, -0.0020634400000000 ] - [ -0.0000392100000000, -0.0000539300000000, -0.0015238400000000 ] - [ 0.0002295900000000, -0.0003976700000000, -0.0015805100000000 ] - [ 0.0003132000000000, 0.0000483300000000, -0.0018519400000000 ] - [ 0.0002566200000000, -0.0001550000000000, -0.0017229200000000 ] - [ 0.0001016800000000, -0.0000977100000000, 0.0037127500000000 ] - [ 0.0000663100000000, 0.0000069900000000, -0.0015238400000000 ] - [ 0.0000037700000000, 0.0000028200000000, -0.0019680500000000 ] - [ -0.0026443200000000, -0.0046888900000000, -0.0033375800000000 ] - [ -0.0002414900000000, 0.0001494100000000, -0.0017110400000000 ] - [ -0.0001588700000000, -0.0003787700000000, 0.0058296100000000 ] - [ -0.0002850600000000, 0.0000023100000000, -0.0021753100000000 ] - [ -0.0000156000000000, 0.0000033700000000, -0.0009582200000000 ] - [ 0.0000048800000000, 0.0000152000000000, -0.0009582200000000 ] - [ 0.0000737800000000, -0.0001277900000000, -0.0022066200000000 ] - [ 0.0024145800000000, -0.0041821800000000, 0.0062081200000000 ] - [ -0.0004813600000000, 0.0006356400000000, -0.0021435100000000 ] - [ 0.0031155000000000, 0.0001029800000000, 0.0060220900000000 ] - [ -0.0022127200000000, -0.0027755000000000, 0.0270626800000000 ] - [ 0.0000649800000000, 0.0000680600000000, -0.0020508500000000 ] - [ 0.0000823200000000, 0.0001579600000000, -0.0019695100000000 ] - [ 0.0000216000000000, 0.0000167800000000, -0.0015245200000000 ] - [ -0.0000732000000000, -0.0000049300000000, 0.0053840800000000 ] - [ -0.0000914300000000, -0.0000222400000000, -0.0020508500000000 ] - [ 0.0000004600000000, -0.0000008000000000, -0.0020709900000000 ] - [ -0.0001779500000000, 0.0000076900000000, -0.0019695100000000 ] - [ 0.0000123800000000, -0.0000214500000000, -0.0026325000000000 ] - [ -0.0002375300000000, -0.0001345700000000, -0.0017275700000000 ] - [ 0.0000059200000000, -0.0002997400000000, -0.0017229200000000 ] - [ -0.0003098000000000, 0.0007346900000000, -0.0021435100000000 ] - [ 0.0006306900000000, -0.0010923800000000, 0.0313954500000000 ] - [ -0.0000852200000000, -0.0000532900000000, -0.0015160700000000 ] - [ -0.0080792100000000, 0.0002156100000000, 0.0007940500000000 ] - [ 0.0000674200000000, 0.0003389500000000, 0.0008275900000000 ] - [ -0.0009158500000000, 0.0015863100000000, -0.2477674100000000 ] - [ 0.0002256300000000, 0.0006720100000000, 0.0021262200000000 ] - [ -0.0000421500000000, 0.0000730000000000, 0.0010794900000000 ] - [ 0.0001437900000000, 0.0002376100000000, 0.0008830000000000 ] - [ -0.0012832700000000, -0.0013294100000000, -0.0066622900000000 ] - [ -0.0010026300000000, 0.0017366000000000, 0.0022168400000000 ] - [ 0.0000179400000000, -0.0001494000000000, 0.0011379600000000 ] - [ 0.0001303400000000, 0.0002131400000000, 0.0013971100000000 ] - [ -0.0002497500000000, -0.0000063100000000, 0.0013971100000000 ] - [ 0.0000448600000000, 0.0001768700000000, 0.0009110100000000 ] - [ -0.0006948000000000, 0.0001406000000000, 0.0021262200000000 ] - [ 0.0002745600000000, -0.0002182500000000, 0.0008275100000000 ] - [ -0.0018133100000000, -0.0006007900000000, -0.0021949100000000 ] - [ 0.0007539600000000, -0.0007383500000000, -0.0015168600000000 ] - [ 0.0002604700000000, -0.0019135300000000, -0.0022724500000000 ] - [ 0.0016581600000000, -0.0003773000000000, 0.0019818000000000 ] - [ 0.0000936400000000, 0.0000056100000000, 0.0010590800000000 ] - [ -0.0014594100000000, 0.0007536400000000, -0.0021286200000000 ] - [ -0.0000441300000000, 0.0001819000000000, -0.0040155700000000 ] - [ 0.0001417500000000, 0.0001321400000000, 0.0009105600000000 ] - [ -0.0000811500000000, 0.0000005900000000, 0.0017205900000000 ] - [ 0.0000057000000000, 0.0014744100000000, -0.0015359000000000 ] - [ -0.0012797200000000, 0.0007322700000000, -0.0015359000000000 ] - [ -0.0020203100000000, 0.0002455800000000, -0.0012643300000000 ] - [ 0.0002624500000000, -0.0010221200000000, -0.0015168600000000 ] - [ -0.0002121800000000, 0.0003675000000000, 0.0015335200000000 ] - [ -0.0000093300000000, 0.0001127800000000, 0.0012847300000000 ] - [ -0.0001314000000000, -0.0000744000000000, 0.0011420100000000 ] - [ 0.0001002100000000, -0.0001735700000000, 0.0018917800000000 ] - [ 0.0017661800000000, -0.0004697900000000, -0.0077516600000000 ] - [ 0.0001646800000000, -0.0000584500000000, 0.0011516500000000 ] - [ 0.0001204200000000, -0.0000902300000000, 0.0011379600000000 ] - [ 0.0001272100000000, -0.0002203300000000, 0.0008658800000000 ] - [ 0.0001301300000000, 0.0000766000000000, 0.0011420100000000 ] - [ -0.0000317200000000, -0.0001718400000000, 0.0011516500000000 ] - [ -0.0017502500000000, -0.0010393100000000, -0.0015290600000000 ] - [ 0.0001712500000000, 0.0002547700000000, -0.0032132000000000 ] - [ -0.0001756100000000, 0.0000495900000000, 0.0009110100000000 ] - [ 0.0014288400000000, 0.0025054400000000, -0.0030543700000000 ] - [ -0.0002776700000000, -0.0000057200000000, 0.0008830000000000 ] - [ 0.0000455600000000, -0.0000789100000000, 0.0019036700000000 ] - [ -0.0001353500000000, 0.0003550800000000, 0.0005544700000000 ] - [ -0.0000290000000000, 0.0001711900000000, 0.0011534500000000 ] - [ 0.0000005600000000, 0.0000015000000000, 0.0015349500000000 ] - [ -0.0001991600000000, -0.0005139100000000, 0.0003781600000000 ] - [ -0.0010426400000000, -0.0018998000000000, 0.0025942200000000 ] - [ -0.0001928600000000, 0.0003340400000000, 0.0010800400000000 ] - [ 0.0000582000000000, -0.0001008000000000, 0.0011730600000000 ] - [ -0.0120299300000000, 0.0208364400000000, 0.0205480300000000 ] - [ -0.0125011200000000, -0.0216475400000000, 0.0208283300000000 ] - [ 0.0000770400000000, 0.0016407000000000, -0.0021286200000000 ] - [ -0.0046907700000000, 0.0081246500000000, 0.0068440300000000 ] - [ 0.0021665900000000, -0.0000469500000000, 0.0025942200000000 ] - [ 0.0130054400000000, 0.0025104700000000, 0.0110278200000000 ] - [ -0.0001834900000000, -0.0001167100000000, 0.0012081600000000 ] - [ -0.0004762400000000, -0.0017644500000000, -0.0077516600000000 ] - [ 0.0005446400000000, -0.0000844700000000, 0.0003781600000000 ] - [ -0.0002691300000000, 0.0004661500000000, 0.0013781800000000 ] - [ 0.0000400600000000, 0.0000705800000000, 0.0017205900000000 ] - [ -0.0005023300000000, -0.0016246600000000, 0.0019818000000000 ] - [ -0.0006998000000000, 0.0033160000000000, -0.0077244800000000 ] - [ 0.0001474200000000, -0.0001178000000000, 0.0009362400000000 ] - [ -0.0028842000000000, 0.0000153100000000, -0.0030543700000000 ] - [ -0.0000636000000000, -0.0003449200000000, 0.0016148500000000 ] - [ -0.0001354700000000, 0.0001291700000000, -0.0040155700000000 ] - [ 0.0001883900000000, 0.0001261900000000, 0.0009304800000000 ] - [ -0.0000930100000000, 0.0000644700000000, 0.0012847300000000 ] - [ -0.0086768500000000, -0.0100078000000000, 0.0110278200000000 ] - [ -0.0000015800000000, 0.0000002600000000, 0.0015349500000000 ] - [ 0.0001928200000000, 0.0001005500000000, 0.0012081600000000 ] - [ 0.0014269600000000, 0.0012699700000000, -0.0021949100000000 ] - [ -0.0000161900000000, 0.0000115500000000, 0.0008422000000000 ] - [ 0.0002171200000000, -0.0001178600000000, 0.0013448300000000 ] - [ 0.0007974800000000, 0.0018724300000000, -0.0012643300000000 ] - [ 0.0000283100000000, -0.0001865700000000, 0.0009362400000000 ] - [ 0.0017929400000000, 0.0004466400000000, -0.0066622900000000 ] - [ 0.0017751900000000, 0.0009961100000000, -0.0015290600000000 ] - [ 0.0000212300000000, -0.0000367700000000, 0.0009301100000000 ] - [ 0.0000861600000000, 0.0001591300000000, 0.0010833500000000 ] - [ -0.0000019100000000, 0.0000198000000000, 0.0008422000000000 ] - [ -0.0002018600000000, -0.0003937000000000, 0.0010315500000000 ] - [ 0.0004418800000000, -0.0000220300000000, 0.0010315500000000 ] - [ 0.0000744500000000, -0.0001289500000000, 0.0012347500000000 ] - [ 0.0000687600000000, -0.0001191000000000, -0.0038294000000000 ] - [ -0.0002034800000000, -0.0001000600000000, 0.0009304800000000 ] - [ -0.0003062600000000, -0.0000209200000000, -0.0032132000000000 ] - [ -0.0003272500000000, 0.0001110900000000, 0.0008275900000000 ] - [ 0.0003832000000000, 0.0002882100000000, 0.0005363700000000 ] - [ -0.0000064900000000, -0.0002469600000000, 0.0013448300000000 ] - [ -0.0001337600000000, 0.0001107100000000, 0.0011534500000000 ] - [ -0.0000516800000000, -0.0000782900000000, 0.0010590800000000 ] - [ 0.0015269300000000, -0.0011823300000000, -0.0022724500000000 ] - [ 0.0003305100000000, -0.0001173800000000, 0.0016148500000000 ] - [ 0.0000517300000000, -0.0003469000000000, 0.0008275100000000 ] - [ -0.0010917200000000, 0.0018909100000000, 0.0025949900000000 ] - [ -0.0002398400000000, 0.0002947600000000, 0.0005544700000000 ] - [ 0.0249978800000000, 0.0000025200000000, 0.0208283300000000 ] - [ -0.0001808900000000, 0.0000049400000000, 0.0010833500000000 ] - [ -0.0025218400000000, 0.0022640400000000, -0.0077244800000000 ] - [ -0.0001853200000000, -0.0000566900000000, 0.0009105600000000 ] - [ -0.0004412000000000, -0.0001877600000000, 0.0005363700000000 ] - [ 0.0015105300000000, -0.0026163200000000, -0.0031019700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000406300000000, -0.0000703800000000, 0.0068345800000000 ] - [ -0.0002023500000000, -0.0000035800000000, 0.0020164300000000 ] - [ 0.0024132700000000, -0.0041799100000000, -0.0019534800000000 ] - [ -0.0000863400000000, 0.0000118300000000, 0.0003320400000000 ] - [ 0.0000329200000000, 0.0000806900000000, 0.0003320400000000 ] - [ 0.0001042800000000, 0.0001734500000000, 0.0020164300000000 ] - [ -0.0000068600000000, 0.0000118900000000, 0.0013298900000000 ] - [ -0.0038619700000000, -0.0071213800000000, -0.0004359900000000 ] - [ -0.0001691900000000, -0.0002418600000000, -0.0003325600000000 ] - [ -0.0040427500000000, 0.0070022500000000, -0.0010849200000000 ] - [ -0.0002521400000000, 0.0002397300000000, -0.0057301300000000 ] - [ 0.0000272000000000, -0.0000471100000000, 0.0018614000000000 ] - [ -0.0001488700000000, 0.0002578600000000, 0.0024332800000000 ] - [ 0.0016499400000000, 0.0026668800000000, -0.0054599000000000 ] - [ -0.0002212700000000, -0.0000180600000000, 0.0014482900000000 ] - [ 0.0002965700000000, 0.0004695500000000, 0.0017755800000000 ] - [ 0.0002940500000000, 0.0000255900000000, -0.0003325600000000 ] - [ 0.0000418800000000, -0.0000725300000000, 0.0014296300000000 ] - [ -0.0057428900000000, -0.0003687800000000, 0.0031561100000000 ] - [ 0.0000468300000000, 0.0002739300000000, -0.0030974700000000 ] - [ 0.0002861000000000, -0.0000708700000000, 0.0019313700000000 ] - [ -0.0003292600000000, -0.0005462300000000, -0.0054655800000000 ] - [ -0.0001920100000000, 0.0002013500000000, 0.0019155500000000 ] - [ -0.0039684900000000, 0.0003842500000000, 0.0016866700000000 ] - [ 0.0062382500000000, -0.0002680200000000, -0.0069046400000000 ] - [ -0.0001233800000000, -0.0001640900000000, 0.0015190400000000 ] - [ -0.0001412500000000, -0.0002516200000000, 0.0018429900000000 ] - [ -0.0001531400000000, -0.0000009900000000, 0.0013206800000000 ] - [ -0.0028870200000000, -0.0055364900000000, -0.0069046400000000 ] - [ -0.0046505900000000, -0.0004953400000000, -0.0264645800000000 ] - [ -0.0000270600000000, -0.0000454700000000, 0.0014430900000000 ] - [ 0.0009460900000000, -0.0016386700000000, -0.1039068600000000 ] - [ -0.0001841600000000, 0.0000967600000000, -0.0053308800000000 ] - [ 0.0016514700000000, 0.0036289400000000, 0.0016866700000000 ] - [ 0.0002037900000000, 0.0000248100000000, 0.0015190400000000 ] - [ -0.0000458400000000, -0.0000442900000000, 0.0019484900000000 ] - [ 0.0000647900000000, -0.0001122200000000, 0.0018480300000000 ] - [ 0.0000082800000000, 0.0002078700000000, -0.0053308800000000 ] - [ 0.0000529100000000, 0.0000007000000000, 0.0014430900000000 ] - [ 0.0001405400000000, -0.0001696300000000, 0.0014482200000000 ] - [ -0.0002539500000000, 0.0004398600000000, 0.0011549600000000 ] - [ -0.0005549300000000, -0.0000220600000000, 0.0017755800000000 ] - [ 0.0002642800000000, 0.0000857400000000, 0.0019268300000000 ] - [ -0.0002606400000000, 0.0000964100000000, -0.0030974700000000 ] - [ 0.0000766300000000, -0.0002065300000000, 0.0014482200000000 ] - [ 0.0000774300000000, 0.0001321200000000, 0.0013206800000000 ] - [ 0.0031908200000000, 0.0047891000000000, 0.0031561100000000 ] - [ -0.0000783700000000, 0.0002669600000000, 0.0019155500000000 ] - [ -0.0000815400000000, 0.0003382300000000, -0.0057301300000000 ] - [ 0.0002885400000000, -0.0000034900000000, 0.0018429900000000 ] - [ 0.0001109700000000, 0.0001621500000000, 0.0015253900000000 ] - [ -0.0001959100000000, -0.0000150300000000, 0.0015253900000000 ] - [ 0.0000217400000000, -0.0000376600000000, 0.0016480300000000 ] - [ -0.0023630500000000, 0.0040929200000000, -0.0056686700000000 ] - [ 0.0004624400000000, -0.0006752100000000, 0.0017237400000000 ] - [ -0.0031345600000000, -0.0000954500000000, -0.0054599000000000 ] - [ 0.0027542700000000, 0.0037798600000000, -0.0264645800000000 ] - [ 0.0000022600000000, 0.0000489100000000, 0.0014300400000000 ] - [ 0.0000127200000000, 0.0000070200000000, 0.0014084900000000 ] - [ 0.0001262700000000, 0.0001825900000000, 0.0014482900000000 ] - [ 0.0006376800000000, 0.0000120300000000, -0.0054655800000000 ] - [ -0.0000434800000000, 0.0000225000000000, 0.0014300400000000 ] - [ 0.0000791900000000, -0.0001371700000000, 0.0014227600000000 ] - [ -0.0000124400000000, -0.0000075000000000, 0.0014084900000000 ] - [ 0.0000838600000000, -0.0001452500000000, 0.0032155600000000 ] - [ -0.0000816700000000, -0.0002832100000000, 0.0019313700000000 ] - [ -0.0002063900000000, -0.0001860000000000, 0.0019268300000000 ] - [ 0.0003535300000000, -0.0007380900000000, 0.0017237400000000 ] - [ -0.0003450500000000, 0.0005976400000000, -0.0308635900000000 ] - [ 0.0000612800000000, 0.0000175500000000, 0.0019484900000000 ] - [ 0.0080982800000000, -0.0002161300000000, -0.0004359900000000 ] - [ -0.0002844500000000, -0.0002309500000000, -0.0012467100000000 ] - [ 0.0006891500000000, -0.0011936500000000, 0.2523733100000000 ] - [ -0.0000697900000000, -0.0008555600000000, -0.0020109200000000 ] - [ -0.0001055100000000, 0.0001827500000000, -0.0013479400000000 ] - [ -0.0001616400000000, -0.0002687800000000, -0.0014249400000000 ] - [ 0.0013155700000000, 0.0011102600000000, 0.0067715600000000 ] - [ 0.0009931600000000, -0.0017202000000000, -0.0016914800000000 ] - [ 0.0000926300000000, -0.0000318000000000, -0.0012090700000000 ] - [ 0.0000910900000000, 0.0001676200000000, -0.0014002000000000 ] - [ -0.0001907000000000, 0.0000049200000000, -0.0014002000000000 ] - [ 0.0000692100000000, -0.0001838900000000, -0.0012835500000000 ] - [ 0.0007758300000000, -0.0003673400000000, -0.0020109200000000 ] - [ -0.0000744200000000, 0.0003533500000000, -0.0012485000000000 ] - [ 0.0018225600000000, 0.0008403100000000, 0.0026022400000000 ] - [ -0.0008133500000000, 0.0008487500000000, 0.0019100400000000 ] - [ -0.0004751800000000, 0.0018035800000000, 0.0026807700000000 ] - [ -0.0016899700000000, 0.0003505200000000, -0.0014518500000000 ] - [ 0.0002020300000000, -0.0000055200000000, -0.0013273000000000 ] - [ 0.0021501200000000, -0.0007511900000000, 0.0024846900000000 ] - [ 0.0001085600000000, -0.0000764600000000, 0.0031513600000000 ] - [ -0.0002036300000000, -0.0000337100000000, -0.0012845200000000 ] - [ -0.0000427500000000, -0.0000019800000000, -0.0008546000000000 ] - [ -0.0000591200000000, -0.0015914000000000, 0.0019295700000000 ] - [ 0.0014077600000000, -0.0007445000000000, 0.0019295700000000 ] - [ 0.0020403400000000, -0.0002468100000000, 0.0009622100000000 ] - [ -0.0003283700000000, 0.0011287500000000, 0.0019100400000000 ] - [ -0.0001130000000000, 0.0001957300000000, -0.0015396100000000 ] - [ 0.0000382700000000, -0.0000617400000000, -0.0012040200000000 ] - [ -0.0000794600000000, 0.0000688600000000, -0.0012137900000000 ] - [ 0.0001234500000000, -0.0002138200000000, -0.0018992100000000 ] - [ -0.0016274500000000, 0.0004768500000000, 0.0077023400000000 ] - [ -0.0000056900000000, 0.0002358100000000, -0.0012839600000000 ] - [ -0.0000187800000000, -0.0000961200000000, -0.0012090700000000 ] - [ -0.0001442000000000, 0.0002497600000000, -0.0014085800000000 ] - [ -0.0000199100000000, 0.0001032400000000, -0.0012137900000000 ] - [ -0.0002013700000000, 0.0001228300000000, -0.0012839600000000 ] - [ 0.0020636400000000, 0.0010478900000000, 0.0018150500000000 ] - [ -0.0000757900000000, -0.0000743500000000, 0.0032919600000000 ] - [ 0.0001246500000000, -0.0001518800000000, -0.0012835500000000 ] - [ -0.0011706600000000, -0.0025085300000000, 0.0030592300000000 ] - [ 0.0003135900000000, 0.0000056000000000, -0.0014249400000000 ] - [ 0.0000182300000000, -0.0000315800000000, -0.0010370100000000 ] - [ 0.0002962200000000, -0.0001796100000000, -0.0004238200000000 ] - [ -0.0002043000000000, -0.0001225100000000, -0.0012870200000000 ] - [ -0.0000014300000000, -0.0000015400000000, -0.0012195200000000 ] - [ -0.0002006300000000, -0.0001860800000000, -0.0006959300000000 ] - [ 0.0010405800000000, 0.0018945900000000, -0.0025943500000000 ] - [ -0.0002104500000000, 0.0003645100000000, -0.0007661700000000 ] - [ -0.0004634400000000, 0.0008027100000000, -0.0014969700000000 ] - [ 0.0115244400000000, -0.0199609100000000, -0.0199323000000000 ] - [ 0.0125380400000000, 0.0212398200000000, -0.0201685300000000 ] - [ -0.0004245200000000, -0.0022376500000000, 0.0024846900000000 ] - [ 0.0046158400000000, -0.0079948700000000, -0.0066926800000000 ] - [ -0.0021610500000000, 0.0000461200000000, -0.0025943500000000 ] - [ -0.0130951600000000, -0.0025181100000000, -0.0108252700000000 ] - [ 0.0002576300000000, -0.0001072400000000, -0.0013410000000000 ] - [ 0.0004007600000000, 0.0016478400000000, 0.0077023400000000 ] - [ 0.0002614700000000, 0.0000807200000000, -0.0006959300000000 ] - [ -0.0000794200000000, 0.0001375600000000, -0.0017500700000000 ] - [ 0.0000230900000000, 0.0000360400000000, -0.0008546000000000 ] - [ 0.0005414300000000, 0.0016388200000000, -0.0014518500000000 ] - [ 0.0004972600000000, -0.0032099600000000, 0.0078497200000000 ] - [ -0.0002105300000000, 0.0000221300000000, -0.0013097700000000 ] - [ 0.0027577800000000, -0.0002404400000000, 0.0030592300000000 ] - [ -0.0002609500000000, -0.0002120300000000, -0.0016208800000000 ] - [ 0.0000119400000000, -0.0001322500000000, 0.0031513600000000 ] - [ 0.0000714700000000, -0.0001270500000000, -0.0009473900000000 ] - [ 0.0000343300000000, -0.0000640200000000, -0.0012040200000000 ] - [ 0.0087283200000000, 0.0100816900000000, -0.0108252700000000 ] - [ 0.0000020500000000, 0.0000004700000000, -0.0012195200000000 ] - [ -0.0000359400000000, -0.0002767300000000, -0.0013410000000000 ] - [ -0.0016390100000000, -0.0011582300000000, 0.0026022400000000 ] - [ 0.0007118300000000, -0.0000091200000000, -0.0012130000000000 ] - [ -0.0002042600000000, -0.0001239000000000, -0.0017628800000000 ] - [ -0.0008064300000000, -0.0018903900000000, 0.0009622100000000 ] - [ 0.0000861000000000, 0.0001933900000000, -0.0013097700000000 ] - [ -0.0016193000000000, -0.0005841800000000, 0.0067715600000000 ] - [ -0.0019393200000000, -0.0012632200000000, 0.0018150500000000 ] - [ -0.0001502100000000, 0.0002601800000000, -0.0009478100000000 ] - [ 0.0000139000000000, 0.0000252600000000, -0.0011551300000000 ] - [ -0.0003480100000000, -0.0006210200000000, -0.0012130000000000 ] - [ -0.0001980200000000, -0.0003068100000000, -0.0007162100000000 ] - [ 0.0003647100000000, 0.0000180800000000, -0.0007162100000000 ] - [ -0.0000457700000000, 0.0000792700000000, -0.0011545100000000 ] - [ -0.0000449300000000, 0.0000778100000000, 0.0037573300000000 ] - [ 0.0000743000000000, -0.0001254200000000, -0.0009473900000000 ] - [ 0.0001022900000000, 0.0000284600000000, 0.0032919600000000 ] - [ 0.0003422300000000, 0.0001308700000000, -0.0012467100000000 ] - [ -0.0003124300000000, -0.0000652300000000, -0.0004042300000000 ] - [ 0.0002094300000000, 0.0001149400000000, -0.0017628800000000 ] - [ 0.0002082500000000, 0.0001156800000000, -0.0012870200000000 ] - [ -0.0000962300000000, -0.0001777200000000, -0.0013273000000000 ] - [ -0.0013243500000000, 0.0013133100000000, 0.0026807700000000 ] - [ 0.0003141000000000, 0.0001199800000000, -0.0016208800000000 ] - [ -0.0002688000000000, 0.0002411300000000, -0.0012485000000000 ] - [ 0.0010894600000000, -0.0018870000000000, -0.0025943100000000 ] - [ 0.0000074400000000, -0.0003463400000000, -0.0004238200000000 ] - [ -0.0246632400000000, -0.0002383500000000, -0.0201685300000000 ] - [ -0.0000288200000000, 0.0000006000000000, -0.0011551300000000 ] - [ 0.0025312800000000, -0.0020356200000000, 0.0078497200000000 ] - [ 0.0001310100000000, 0.0001594900000000, -0.0012845200000000 ] - [ 0.0002127100000000, 0.0002379600000000, -0.0004042300000000 ] - [ -0.0016425100000000, 0.0028449100000000, 0.0031090300000000 ]- atom: 74 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000676900000000, -0.0000601900000000, 0.0001567500000000 ] - [ -0.0028902600000000, -0.0003911000000000, 0.0014724300000000 ] - [ -0.0000982900000000, 0.0016056000000000, 0.0000186900000000 ] - [ -0.0000587700000000, 0.0000117900000000, 0.0001779700000000 ] - [ -0.0000156400000000, 0.0000545300000000, 0.0001811100000000 ] - [ 0.0050911700000000, -0.0000966500000000, -0.0025799700000000 ] - [ 0.0000279000000000, -0.0000146600000000, -0.0000769000000000 ] - [ 0.0001572700000000, -0.0000287600000000, 0.0003877700000000 ] - [ 0.0019636800000000, -0.0071398000000000, 0.0015452200000000 ] - [ 0.0000131100000000, 0.0000827200000000, -0.0002759000000000 ] - [ 0.0002356300000000, 0.0003763100000000, -0.0001098700000000 ] - [ -0.0002109200000000, 0.0005240400000000, 0.0010798600000000 ] - [ 0.0000001600000000, -0.0000011700000000, 0.0005529600000000 ] - [ 0.0013414300000000, 0.0000680300000000, 0.0034653900000000 ] - [ -0.0001505800000000, -0.0000018800000000, 0.0000779300000000 ] - [ 0.0000559800000000, 0.0001137900000000, 0.0000826600000000 ] - [ -0.0076757300000000, 0.0006447700000000, 0.0024391000000000 ] - [ 0.0000338700000000, 0.0000136400000000, -0.0001460300000000 ] - [ -0.0027024300000000, -0.0062014200000000, -0.0036971000000000 ] - [ -0.0030847100000000, -0.0005660200000000, 0.0014651600000000 ] - [ 0.0006222600000000, 0.0001391700000000, 0.0000331300000000 ] - [ -0.0007054800000000, -0.0003137600000000, 0.0004780300000000 ] - [ -0.0003612000000000, 0.0002894500000000, 0.0001256300000000 ] - [ -0.0094411300000000, -0.0008418700000000, -0.0048230200000000 ] - [ -0.0016402100000000, 0.0008748000000000, 0.0026077600000000 ] - [ -0.0001415500000000, -0.0002288600000000, 0.0001549400000000 ] - [ 0.0000009600000000, 0.0000009900000000, -0.0000269400000000 ] - [ -0.0000741000000000, -0.0000233900000000, -0.0002679700000000 ] - [ -0.0002785200000000, -0.0017043600000000, 0.0002413800000000 ] - [ 0.0005146800000000, 0.0001616500000000, 0.0006945200000000 ] - [ 0.0000190400000000, 0.0000054900000000, -0.0002310700000000 ] - [ 0.0063281000000000, -0.0034633000000000, -0.0027512200000000 ] - [ -0.0002713800000000, 0.0001087900000000, 0.0003920500000000 ] - [ 0.0244204100000000, -0.0017583000000000, -0.0015660700000000 ] - [ 0.0002636400000000, -0.0000127800000000, 0.0001595100000000 ] - [ -0.0001274900000000, -0.0004707300000000, 0.0002277700000000 ] - [ -0.0001247400000000, 0.0002382200000000, 0.0001725300000000 ] - [ -0.0003059100000000, -0.0002009500000000, 0.0003859300000000 ] - [ -0.0000222300000000, -0.0000098900000000, -0.0001349100000000 ] - [ 0.0000528100000000, -0.0001319200000000, 0.0000689500000000 ] - [ -0.0032546100000000, 0.0063394100000000, 0.0041128600000000 ] - [ -0.0001168900000000, 0.0000151100000000, 0.0000752000000000 ] - [ -0.0000780900000000, 0.0001929000000000, 0.0005212300000000 ] - [ 0.0002707900000000, 0.0010804800000000, 0.0002173700000000 ] - [ 0.0000740100000000, -0.0001106800000000, 0.0000704300000000 ] - [ -0.0000420400000000, 0.0000649200000000, -0.0002612600000000 ] - [ 0.0535974400000000, -0.0052566400000000, -0.0220617800000000 ] - [ -0.0002744300000000, -0.0000106200000000, -0.0000848800000000 ] - [ -0.0006550000000000, 0.0003610200000000, -0.0003044300000000 ] - [ -0.0000061000000000, -0.0000050000000000, -0.0000530200000000 ] - [ -0.0082417100000000, 0.0003930200000000, -0.0028837200000000 ] - [ -0.0000937200000000, 0.0008535700000000, 0.0002853500000000 ] - [ 0.0010980800000000, -0.0003814200000000, 0.0027663300000000 ] - [ -0.0008393900000000, 0.0030670500000000, -0.0029001400000000 ] - [ 0.0018276300000000, 0.0081023000000000, -0.0041654400000000 ] - [ -0.0012191800000000, -0.0007771500000000, -0.0006642200000000 ] - [ 0.0001687400000000, -0.0001182100000000, -0.0000275700000000 ] - [ 0.0000619100000000, 0.0000810200000000, -0.0002332200000000 ] - [ -0.0005449900000000, -0.0001768700000000, -0.0012064500000000 ] - [ 0.0000856000000000, 0.0001191000000000, 0.0000711400000000 ] - [ 0.0004211500000000, -0.0003787400000000, 0.0001573400000000 ] - [ -0.0000993400000000, -0.0000724400000000, -0.0001968000000000 ] - [ 0.0001236900000000, -0.0000833400000000, -0.0001071700000000 ] - [ 0.0000024400000000, -0.0002135300000000, -0.0003433700000000 ] - [ 0.0605153700000000, 0.0499585000000000, -0.0331659200000000 ] - [ -0.0003609800000000, -0.0006497300000000, 0.0004428800000000 ] - [ 0.0002086400000000, 0.0001708400000000, 0.0002348600000000 ] - [ -0.0000230900000000, -0.0016439100000000, -0.0007311700000000 ] - [ 0.0003943400000000, 0.0001571800000000, -0.0005997600000000 ] - [ 0.0007046200000000, 0.0003737000000000, -0.0009092100000000 ] - [ -0.0001211700000000, -0.0000964700000000, 0.0001839700000000 ] - [ -0.0001061700000000, 0.0000537300000000, -0.0002868400000000 ] - [ -0.0009990100000000, 0.0003159000000000, -0.0002877300000000 ] - [ -0.1949832500000000, -0.0500397900000000, 0.0751512500000000 ] - [ -0.0001315100000000, 0.0000772300000000, -0.0003559000000000 ] - [ -0.0000297600000000, -0.0000186200000000, 0.0000385600000000 ] - [ 0.0001468200000000, 0.0003504200000000, 0.0003122300000000 ] - [ 0.0183631800000000, -0.0131257400000000, 0.0009547300000000 ] - [ 0.0000468100000000, -0.0000964800000000, -0.0001008900000000 ] - [ 0.0017607500000000, 0.0000767700000000, 0.0018505200000000 ] - [ -0.0003014300000000, 0.0003588400000000, 0.0000108700000000 ] - [ 0.0001259800000000, -0.0000350300000000, -0.0003000000000000 ] - [ 0.0138607800000000, 0.0112502700000000, 0.0015514400000000 ] - [ 0.0001036700000000, 0.0000712100000000, -0.0002920200000000 ] - [ 0.0000868100000000, 0.0001888000000000, -0.0000514300000000 ] - [ 0.0011719900000000, -0.0015596200000000, -0.0010001900000000 ] - [ -0.0002478500000000, -0.0001361400000000, 0.0001255800000000 ] - [ 0.0150656700000000, -0.0102636100000000, -0.0016839500000000 ] - [ 0.0001939500000000, 0.0000756100000000, -0.0001602900000000 ] - [ 0.0003499200000000, -0.0001851500000000, 0.0000656800000000 ] - [ 0.0007121100000000, 0.0001169100000000, -0.0006482100000000 ] - [ -0.0000084600000000, 0.0001054000000000, -0.0001935800000000 ] - [ -0.0000629000000000, -0.0000025300000000, 0.0003513300000000 ] - [ -0.0014374700000000, -0.0022549300000000, 0.0017389500000000 ] - [ 0.0031079500000000, -0.0006052600000000, 0.0017663600000000 ] - [ 0.0025023400000000, 0.0006064700000000, 0.0013881100000000 ] - [ 0.0009376400000000, 0.0015684100000000, -0.0011598800000000 ] - [ 0.0005629400000000, -0.0009109100000000, -0.0018624000000000 ] - [ 0.0000046400000000, 0.0000189900000000, -0.0000445300000000 ] - [ -0.0001207400000000, -0.0000190900000000, -0.0001188300000000 ] - [ -0.0008919900000000, 0.0034327800000000, -0.0095886400000000 ] - [ 0.0003107900000000, -0.0004719600000000, -0.0009768300000000 ] - [ 0.0004820900000000, -0.0001069300000000, -0.0000084000000000 ] - [ 0.0000597100000000, -0.0000718200000000, -0.0001262500000000 ] - [ -0.0000619200000000, -0.0001399100000000, -0.0006710500000000 ] - [ 0.0000588900000000, 0.0000780800000000, -0.0001406600000000 ] - [ -0.0004151300000000, 0.0001839000000000, 0.0004674500000000 ] - [ 0.0001471600000000, 0.0010108800000000, 0.0003934400000000 ] - [ 0.0002033500000000, 0.0008043200000000, -0.0009385500000000 ] - [ -0.0001029100000000, -0.0001332800000000, -0.0002192700000000 ] - [ 0.0001656600000000, 0.0001817900000000, -0.0001352800000000 ] - [ 0.0001275900000000, 0.0002636700000000, -0.0003188300000000 ] - [ 0.0000165000000000, -0.0000539500000000, 0.0003204000000000 ] - [ 0.0056835700000000, 0.0001662600000000, -0.0000226100000000 ] - [ 0.0000924400000000, 0.0002212600000000, -0.0001862000000000 ] - [ -0.0000832500000000, -0.0000990400000000, 0.0001372500000000 ] - [ 0.0040916900000000, -0.0002932000000000, -0.0001178900000000 ] - [ -0.0000246300000000, 0.0000010700000000, -0.0001493600000000 ] - [ -0.0010119300000000, 0.0009983900000000, -0.0001598600000000 ] - [ -0.0051506700000000, -0.0007619000000000, 0.0002766200000000 ] - [ -0.0002900300000000, 0.0003412100000000, 0.0001000500000000 ] - [ -0.0001231100000000, -0.0000317300000000, 0.0001124000000000 ] - [ -0.0000605900000000, -0.0003015500000000, 0.0001201000000000 ] - [ 0.0047841500000000, -0.0006624900000000, 0.0133797900000000 ] - [ 0.0000185200000000, 0.0000113200000000, -0.0000955300000000 ] - [ -0.0022362600000000, -0.0040592000000000, -0.0071642000000000 ] - [ 0.0005562900000000, 0.0000319400000000, -0.0011467500000000 ] - [ 0.0000114500000000, 0.0003939500000000, -0.0000882300000000 ] - [ 0.0002444900000000, -0.0033333400000000, -0.0001710500000000 ] - [ -0.0001803700000000, 0.0003152200000000, -0.0002688200000000 ] - [ 0.0000435600000000, 0.0000512500000000, 0.0003493400000000 ] - [ -0.0001886200000000, 0.0033789800000000, 0.0004451400000000 ] - [ -0.0013567800000000, -0.0004872800000000, 0.0004875200000000 ] - [ -0.0000532600000000, 0.0000622100000000, -0.0003620000000000 ] - [ 0.0000546800000000, -0.0001622100000000, -0.0003126200000000 ] - [ -0.0004976400000000, -0.0016466200000000, 0.0022871100000000 ] - [ -0.0001038400000000, -0.0003368600000000, -0.0004547800000000 ] - [ 0.0001317200000000, 0.0000051900000000, -0.0000777100000000 ] - [ -0.0000208800000000, 0.0000213400000000, -0.0000508600000000 ] - [ -0.0007815100000000, 0.0017486100000000, 0.0015570400000000 ] - [ 0.0001579300000000, 0.0000019800000000, -0.0000623500000000 ] - [ -0.0005914400000000, -0.0006408100000000, -0.0005828500000000 ] - [ -0.0000156500000000, 0.0000383100000000, 0.0001346700000000 ] - [ 0.0003557000000000, 0.0000003800000000, -0.0002674100000000 ] - [ 0.0000136000000000, -0.0001175800000000, -0.0002926600000000 ] - [ -0.0016533700000000, 0.0070723400000000, -0.0118647400000000 ] - [ -0.0000299300000000, 0.0000048500000000, -0.0002595900000000 ] - [ 0.0002013200000000, -0.0001708900000000, -0.0012537700000000 ] - [ 0.0027006000000000, 0.0000303900000000, -0.0023959100000000 ] - [ -0.0000685300000000, 0.0001078800000000, -0.0000753500000000 ] - [ 0.0000483800000000, 0.0000949900000000, -0.0001017900000000 ] - [ -0.0001767700000000, -0.0003064100000000, -0.0002675100000000 ] - [ 0.0002023000000000, -0.0001549900000000, 0.0000986200000000 ] - [ 0.0002664900000000, -0.0005372100000000, 0.0002184000000000 ] - [ 0.0000042000000000, -0.0000248900000000, -0.0000443100000000 ] - [ 0.0001013800000000, -0.0003894700000000, 0.0003097100000000 ] - [ -0.0000642700000000, -0.0001166600000000, -0.0000780000000000 ] - [ 0.0006272200000000, -0.0000868700000000, -0.0002920900000000 ] - [ 0.0000206900000000, 0.0001213200000000, -0.0002928800000000 ] - [ 0.0194923600000000, 0.0139618500000000, 0.0007235400000000 ] - [ 0.0000910100000000, -0.0000778300000000, -0.0002930500000000 ] - [ 0.0001024900000000, 0.0001153900000000, 0.0003931600000000 ] - [ -0.0000171800000000, -0.0001482100000000, -0.0001075700000000 ] - [ 0.0003731200000000, 0.0000839700000000, 0.0002372500000000 ] - [ 0.0003622100000000, 0.0007523800000000, 0.0002589100000000 ] - [ -0.0001156300000000, -0.0000478200000000, -0.0002939700000000 ] - [ -0.0000032700000000, -0.0000089100000000, -0.0001261900000000 ] - [ -0.0053235900000000, 0.0003909900000000, 0.0010711300000000 ] - [ -0.0000872100000000, 0.0000171100000000, 0.0002794500000000 ] - [ -0.0000815300000000, -0.0000014600000000, -0.0001132400000000 ] - [ 0.0007808200000000, 0.0000582200000000, 0.0016679300000000 ] - [ 0.0000122000000000, 0.0000359200000000, -0.0002256900000000 ] - [ 0.0037557200000000, 0.0004133900000000, 0.0000904700000000 ] - [ -0.0001779500000000, -0.0000115000000000, 0.0001697300000000 ]- atom: 74 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000094200000000, -0.0000399800000000, -0.0001565100000000 ] - [ 0.0028944100000000, 0.0003870100000000, -0.0014534500000000 ] - [ 0.0000970700000000, -0.0015961500000000, 0.0003798700000000 ] - [ -0.0000572300000000, -0.0000114200000000, -0.0001778500000000 ] - [ 0.0000746700000000, 0.0000481600000000, -0.0001811700000000 ] - [ -0.0051162400000000, 0.0000869200000000, 0.0025550500000000 ] - [ -0.0000281300000000, 0.0000148700000000, -0.0003261400000000 ] - [ -0.0001642300000000, 0.0000264400000000, -0.0000496400000000 ] - [ -0.0023412500000000, 0.0075643700000000, -0.0017678700000000 ] - [ -0.0000146600000000, -0.0000851700000000, -0.0005685700000000 ] - [ -0.0000867300000000, -0.0001813400000000, 0.0001911400000000 ] - [ 0.0001953100000000, -0.0004823700000000, -0.0006473100000000 ] - [ -0.0000021200000000, -0.0000020200000000, 0.0002915200000000 ] - [ -0.0013362400000000, -0.0000634900000000, -0.0028091100000000 ] - [ -0.0000978900000000, -0.0000239600000000, -0.0001579200000000 ] - [ 0.0000394100000000, 0.0001126800000000, -0.0001640400000000 ] - [ 0.0074946700000000, -0.0001648300000000, -0.0026625700000000 ] - [ 0.0000344900000000, -0.0001302200000000, -0.0004802000000000 ] - [ 0.0023799500000000, 0.0057616100000000, 0.0034775700000000 ] - [ 0.0031610000000000, 0.0007083900000000, -0.0008264000000000 ] - [ -0.0001037300000000, -0.0000698100000000, 0.0001638400000000 ] - [ 0.0004227400000000, -0.0001684100000000, -0.0005773700000000 ] - [ 0.0001590300000000, 0.0001946600000000, 0.0000743600000000 ] - [ 0.0099500400000000, 0.0007751900000000, 0.0045858700000000 ] - [ 0.0016783900000000, -0.0007621300000000, -0.0019859300000000 ] - [ -0.0001369600000000, -0.0002533600000000, -0.0000572200000000 ] - [ -0.0000079400000000, -0.0000031700000000, -0.0003103800000000 ] - [ -0.0000853900000000, 0.0000174300000000, -0.0003855900000000 ] - [ 0.0001393000000000, 0.0017045700000000, 0.0003823100000000 ] - [ -0.0007519500000000, -0.0001386200000000, -0.0006108800000000 ] - [ -0.0000179800000000, -0.0000015300000000, -0.0003947000000000 ] - [ -0.0062259400000000, 0.0033344700000000, 0.0034234000000000 ] - [ 0.0004064900000000, -0.0003046900000000, -0.0003125000000000 ] - [ -0.0244771300000000, 0.0007641900000000, 0.0017334500000000 ] - [ 0.0002945900000000, 0.0000119700000000, -0.0000596300000000 ] - [ 0.0001700900000000, 0.0004800100000000, 0.0002001700000000 ] - [ -0.0001550200000000, 0.0002448400000000, -0.0000726500000000 ] - [ 0.0004049000000000, -0.0000266800000000, -0.0003062800000000 ] - [ 0.0000250100000000, 0.0000129700000000, -0.0004903900000000 ] - [ 0.0000489300000000, -0.0000960900000000, -0.0001490300000000 ] - [ 0.0032447100000000, -0.0062833500000000, -0.0045211600000000 ] - [ -0.0001220800000000, 0.0000069400000000, -0.0001554300000000 ] - [ 0.0006008700000000, -0.0002656100000000, -0.0003225300000000 ] - [ -0.0004259100000000, -0.0010955400000000, 0.0004376400000000 ] - [ 0.0000644300000000, -0.0000851700000000, -0.0001506200000000 ] - [ 0.0001197400000000, 0.0000707000000000, -0.0003906100000000 ] - [ -0.0565351700000000, 0.0057100100000000, 0.0245122800000000 ] - [ -0.0000473900000000, 0.0004243800000000, 0.0002819400000000 ] - [ 0.0004074100000000, -0.0003863700000000, 0.0003828100000000 ] - [ 0.0000077700000000, -0.0000020400000000, -0.0002844900000000 ] - [ 0.0083577200000000, -0.0002298700000000, 0.0034745900000000 ] - [ -0.0000764200000000, -0.0008884600000000, 0.0002711100000000 ] - [ -0.0010108200000000, 0.0002223800000000, -0.0033533500000000 ] - [ 0.0009164500000000, -0.0031856000000000, 0.0035259300000000 ] - [ -0.0018873600000000, -0.0081841700000000, 0.0037631400000000 ] - [ 0.0012250300000000, 0.0007796600000000, 0.0012813700000000 ] - [ -0.0000719800000000, 0.0003455000000000, 0.0001083600000000 ] - [ 0.0000048700000000, 0.0000353900000000, -0.0003927000000000 ] - [ 0.0006363200000000, 0.0003439500000000, 0.0006488600000000 ] - [ 0.0000628000000000, 0.0000766600000000, -0.0001525300000000 ] - [ 0.0001382000000000, 0.0003757300000000, -0.0002572100000000 ] - [ -0.0000354100000000, 0.0000732200000000, -0.0004295500000000 ] - [ -0.0000488200000000, -0.0000575500000000, -0.0005471000000000 ] - [ -0.0001904700000000, 0.0002122200000000, -0.0002229000000000 ] - [ -0.0598188900000000, -0.0481341500000000, 0.0324857000000000 ] - [ 0.0000426700000000, 0.0002337700000000, -0.0002463800000000 ] - [ -0.0004082700000000, -0.0006578500000000, -0.0000392100000000 ] - [ 0.0000865200000000, 0.0016817500000000, 0.0003087900000000 ] - [ -0.0006718700000000, 0.0003261000000000, 0.0004997900000000 ] - [ -0.0007282200000000, -0.0004092000000000, 0.0013377600000000 ] - [ 0.0001232100000000, 0.0000892100000000, 0.0001527800000000 ] - [ -0.0001092800000000, 0.0000586100000000, -0.0001250300000000 ] - [ 0.0010580200000000, -0.0004258900000000, -0.0005835400000000 ] - [ 0.1979233000000000, 0.0481057600000000, -0.0769209200000000 ] - [ -0.0000165100000000, 0.0001791700000000, 0.0000914300000000 ] - [ 0.0000123100000000, -0.0000141900000000, -0.0005785500000000 ] - [ -0.0000466000000000, -0.0005366900000000, -0.0002439400000000 ] - [ -0.0181473800000000, 0.0129671900000000, -0.0003891800000000 ] - [ 0.0000632300000000, -0.0000832700000000, 0.0000335100000000 ] - [ -0.0015432300000000, 0.0002989400000000, -0.0018668800000000 ] - [ -0.0001485700000000, -0.0003536400000000, -0.0000071100000000 ] - [ -0.0000113000000000, 0.0000316700000000, -0.0000701300000000 ] - [ -0.0136248100000000, -0.0113243000000000, -0.0014212000000000 ] - [ 0.0000954500000000, 0.0000660800000000, -0.0001259700000000 ] - [ -0.0000665000000000, 0.0000515300000000, 0.0004681700000000 ] - [ -0.0012251900000000, 0.0016691100000000, 0.0013847900000000 ] - [ 0.0000326600000000, 0.0000291500000000, 0.0002901000000000 ] - [ -0.0152856800000000, 0.0103964600000000, 0.0022518700000000 ] - [ 0.0001012300000000, -0.0000749900000000, -0.0001047100000000 ] - [ 0.0003466700000000, 0.0001891900000000, 0.0003005500000000 ] - [ -0.0006491400000000, -0.0000111600000000, -0.0002170000000000 ] - [ -0.0000516800000000, -0.0000071600000000, -0.0001758100000000 ] - [ -0.0000647200000000, 0.0000002600000000, 0.0005183200000000 ] - [ 0.0013782000000000, 0.0021564900000000, -0.0013711500000000 ] - [ -0.0029975600000000, 0.0006015200000000, -0.0013838700000000 ] - [ -0.0025012400000000, -0.0006039200000000, -0.0016956600000000 ] - [ -0.0009884200000000, -0.0014742500000000, 0.0015440300000000 ] - [ -0.0008903000000000, 0.0014764300000000, 0.0018507700000000 ] - [ 0.0000256400000000, 0.0000333000000000, 0.0001295400000000 ] - [ -0.0000930000000000, 0.0000141900000000, 0.0000518200000000 ] - [ 0.0010623300000000, -0.0038247500000000, 0.0096041900000000 ] - [ -0.0002757100000000, 0.0005202900000000, 0.0008867900000000 ] - [ -0.0003217500000000, 0.0002858000000000, -0.0001253100000000 ] - [ 0.0000426400000000, -0.0001153500000000, 0.0000590400000000 ] - [ 0.0000430800000000, 0.0001705000000000, 0.0001298900000000 ] - [ 0.0000501800000000, 0.0000996000000000, 0.0000719400000000 ] - [ 0.0001825100000000, -0.0002308800000000, -0.0005947000000000 ] - [ 0.0001518900000000, -0.0010001000000000, -0.0001294500000000 ] - [ -0.0001017700000000, -0.0006169400000000, 0.0010039700000000 ] - [ 0.0000539700000000, 0.0000327600000000, -0.0001493800000000 ] - [ 0.0000940400000000, -0.0001821600000000, 0.0001480300000000 ] - [ -0.0000937000000000, -0.0002639000000000, -0.0002210400000000 ] - [ 0.0000449900000000, -0.0000579500000000, 0.0005495200000000 ] - [ -0.0055321100000000, 0.0000132600000000, 0.0001535400000000 ] - [ -0.0003242000000000, -0.0001714200000000, 0.0000544400000000 ] - [ 0.0000829400000000, 0.0001012200000000, 0.0001836700000000 ] - [ -0.0045008500000000, -0.0004311800000000, -0.0002109700000000 ] - [ 0.0000238400000000, -0.0000020800000000, 0.0001489500000000 ] - [ 0.0006049500000000, -0.0003062300000000, 0.0004765000000000 ] - [ 0.0047492700000000, 0.0013939600000000, -0.0005751800000000 ] - [ -0.0000543200000000, 0.0002642200000000, 0.0002662200000000 ] - [ 0.0003283700000000, -0.0000980500000000, 0.0003000100000000 ] - [ -0.0002866500000000, -0.0002999100000000, 0.0002433600000000 ] - [ -0.0049245100000000, 0.0009168300000000, -0.0130201100000000 ] - [ -0.0000191900000000, -0.0000124700000000, 0.0000954900000000 ] - [ 0.0024135200000000, 0.0040427500000000, 0.0075036200000000 ] - [ -0.0004873900000000, -0.0002574100000000, 0.0010238000000000 ] - [ -0.0000685000000000, -0.0003944700000000, 0.0000061200000000 ] - [ 0.0005565600000000, 0.0033289700000000, -0.0001506900000000 ] - [ -0.0001636700000000, 0.0002909400000000, -0.0000984900000000 ] - [ 0.0000168100000000, 0.0000531900000000, 0.0005200100000000 ] - [ 0.0002306300000000, -0.0033791200000000, 0.0000972300000000 ] - [ 0.0011386600000000, 0.0004806300000000, -0.0004221400000000 ] - [ -0.0000097900000000, -0.0001549800000000, -0.0000063400000000 ] - [ -0.0001848200000000, -0.0000656300000000, 0.0003248800000000 ] - [ 0.0001841700000000, 0.0010993000000000, -0.0023001300000000 ] - [ -0.0000226300000000, 0.0003373100000000, -0.0004134700000000 ] - [ 0.0001263700000000, -0.0000068500000000, 0.0000648600000000 ] - [ -0.0000363300000000, -0.0000203900000000, 0.0001349800000000 ] - [ 0.0007110100000000, -0.0018413200000000, -0.0011826800000000 ] - [ -0.0001572100000000, -0.0000015500000000, 0.0003824900000000 ] - [ 0.0007501000000000, 0.0004651600000000, 0.0004562900000000 ] - [ -0.0001996000000000, 0.0000751400000000, 0.0002791200000000 ] - [ 0.0003412300000000, 0.0000047700000000, -0.0000998900000000 ] - [ 0.0000008400000000, -0.0001230000000000, -0.0001228800000000 ] - [ 0.0017271500000000, -0.0070572300000000, 0.0115250200000000 ] - [ 0.0001465700000000, -0.0000021300000000, -0.0001116600000000 ] - [ -0.0000876200000000, -0.0000103100000000, 0.0013152900000000 ] - [ -0.0028462300000000, -0.0002883400000000, 0.0026827800000000 ] - [ -0.0000620900000000, 0.0001147600000000, 0.0000623300000000 ] - [ 0.0000509400000000, 0.0000886600000000, 0.0000332200000000 ] - [ -0.0001704100000000, -0.0002948400000000, -0.0000977800000000 ] - [ -0.0006049200000000, -0.0005456900000000, 0.0002181100000000 ] - [ 0.0005385300000000, 0.0005294500000000, 0.0000964300000000 ] - [ 0.0000252000000000, -0.0000242500000000, 0.0001283600000000 ] - [ -0.0000745800000000, 0.0003388600000000, -0.0003926800000000 ] - [ -0.0000664400000000, -0.0001097200000000, 0.0000664600000000 ] - [ -0.0008354600000000, 0.0000911600000000, 0.0003642600000000 ] - [ -0.0000012900000000, 0.0001198500000000, -0.0001249200000000 ] - [ -0.0197125200000000, -0.0139845700000000, -0.0005810000000000 ] - [ 0.0001138600000000, -0.0000525500000000, -0.0001188800000000 ] - [ -0.0000234400000000, 0.0001121600000000, -0.0005201900000000 ] - [ -0.0001302100000000, -0.0001083500000000, -0.0001572100000000 ] - [ -0.0001750300000000, 0.0000529200000000, 0.0001808800000000 ] - [ 0.0002883700000000, -0.0007552600000000, -0.0002626400000000 ] - [ -0.0001001700000000, -0.0000597300000000, -0.0001214800000000 ] - [ 0.0000019900000000, 0.0000067900000000, 0.0001261900000000 ] - [ 0.0051011300000000, -0.0003168200000000, -0.0009383300000000 ] - [ 0.0001008500000000, -0.0002567200000000, 0.0001364300000000 ] - [ -0.0001291900000000, 0.0000067300000000, 0.0000458100000000 ] - [ -0.0006734100000000, 0.0001192100000000, -0.0015954500000000 ] - [ -0.0000675300000000, 0.0000662500000000, -0.0001463300000000 ] - [ -0.0039900300000000, -0.0003376400000000, 0.0000390800000000 ] - [ 0.0000462300000000, 0.0002353500000000, -0.0001567500000000 ]- atom: 74 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0000004800000000, -0.0000252100000000, 0.0001369100000000 ] - [ 0.0002281500000000, 0.0001818200000000, -0.0001619500000000 ] - [ 0.0005450400000000, -0.0030909500000000, -0.0007408300000000 ] - [ -0.0000340500000000, -0.0000370300000000, 0.0001791300000000 ] - [ 0.0000451200000000, 0.0000591200000000, 0.0001749700000000 ] - [ -0.0027169500000000, 0.0040695600000000, -0.0023259700000000 ] - [ 0.0000145800000000, -0.0000717700000000, -0.0000396600000000 ] - [ -0.0001119900000000, 0.0001455000000000, 0.0003689100000000 ] - [ -0.0072430000000000, -0.0011166800000000, 0.0007548800000000 ] - [ -0.0000149100000000, -0.0001723500000000, -0.0003899300000000 ] - [ 0.0002413600000000, -0.0003673900000000, 0.0006083800000000 ] - [ 0.0002574300000000, -0.0005284400000000, -0.0007566800000000 ] - [ 0.0000013100000000, -0.0000077300000000, 0.0005316000000000 ] - [ -0.0005147600000000, 0.0015297700000000, 0.0033475200000000 ] - [ -0.0001350600000000, -0.0000104800000000, 0.0000665900000000 ] - [ 0.0000502500000000, 0.0001182600000000, 0.0000744400000000 ] - [ 0.0066801900000000, 0.0004192200000000, -0.0035906200000000 ] - [ 0.0000426500000000, -0.0000356700000000, -0.0002269200000000 ] - [ -0.0014187000000000, -0.0009280500000000, -0.0006143300000000 ] - [ 0.0010677100000000, 0.0012420200000000, 0.0002159800000000 ] - [ 0.0002487400000000, 0.0004904500000000, 0.0002422100000000 ] - [ 0.0001202400000000, 0.0000410800000000, -0.0002130900000000 ] - [ 0.0001366700000000, 0.0002369000000000, 0.0003488500000000 ] - [ 0.0055366700000000, 0.0058703400000000, 0.0013816100000000 ] - [ 0.0034797000000000, 0.0003837600000000, -0.0025487900000000 ] - [ -0.0001322800000000, -0.0002218500000000, 0.0001571100000000 ] - [ -0.0000036900000000, 0.0000040100000000, -0.0000368600000000 ] - [ -0.0000610800000000, -0.0000706100000000, -0.0002563300000000 ] - [ -0.0010800200000000, -0.0009256800000000, 0.0003721400000000 ] - [ -0.0004014100000000, 0.0003542000000000, -0.0006995800000000 ] - [ -0.0000044900000000, 0.0000191200000000, -0.0002428200000000 ] - [ -0.0063940700000000, 0.0034668700000000, -0.0020381900000000 ] - [ 0.0006733300000000, -0.0004351000000000, -0.0002740800000000 ] - [ -0.0125672700000000, 0.0187984900000000, -0.0009619400000000 ] - [ 0.0002676800000000, -0.0000100800000000, 0.0001550300000000 ] - [ -0.0000481600000000, -0.0005358600000000, 0.0010392200000000 ] - [ -0.0001367500000000, 0.0002464400000000, 0.0001567600000000 ] - [ -0.0002809400000000, -0.0001620200000000, 0.0002780400000000 ] - [ 0.0000045200000000, 0.0000103800000000, -0.0001770000000000 ] - [ 0.0000505300000000, -0.0001299700000000, 0.0000648500000000 ] - [ 0.0041038900000000, -0.0064837500000000, -0.0047716100000000 ] - [ -0.0001309200000000, 0.0000171900000000, 0.0000734000000000 ] - [ 0.0002412200000000, 0.0002065200000000, 0.0002306200000000 ] - [ 0.0004693100000000, -0.0030161000000000, 0.0014485900000000 ] - [ 0.0000820800000000, -0.0001172400000000, 0.0000730600000000 ] - [ 0.0000270900000000, 0.0001029900000000, -0.0002651400000000 ] - [ -0.0303767400000000, 0.0228735000000000, 0.0100205700000000 ] - [ -0.0002914400000000, -0.0000419000000000, -0.0000058500000000 ] - [ 0.0002137500000000, -0.0001810400000000, 0.0004450100000000 ] - [ 0.0000014400000000, -0.0000021700000000, -0.0000422200000000 ] - [ 0.0017164400000000, 0.0012774100000000, 0.0002088600000000 ] - [ 0.0032254200000000, -0.0067588400000000, -0.0030256200000000 ] - [ 0.0000913100000000, 0.0000810200000000, 0.0011014600000000 ] - [ 0.0014645500000000, -0.0011208700000000, 0.0029537100000000 ] - [ 0.0067091400000000, -0.0099068900000000, 0.0043419200000000 ] - [ 0.0008103600000000, 0.0005929500000000, 0.0003935600000000 ] - [ -0.0002338600000000, -0.0000268600000000, -0.0000584300000000 ] - [ 0.0000577300000000, 0.0000764000000000, -0.0001498000000000 ] - [ -0.0000744500000000, 0.0002035300000000, -0.0000580500000000 ] - [ 0.0000825800000000, 0.0001030900000000, 0.0000628100000000 ] - [ 0.0003613900000000, -0.0003395000000000, 0.0002974100000000 ] - [ -0.0000918700000000, -0.0000570600000000, -0.0001950700000000 ] - [ 0.0000213300000000, -0.0000184900000000, -0.0001644400000000 ] - [ 0.0003727800000000, -0.0004885800000000, -0.0009191700000000 ] - [ 0.0110216800000000, 0.0483339700000000, -0.0203119900000000 ] - [ -0.0003215700000000, -0.0003304800000000, 0.0003006700000000 ] - [ -0.0000628000000000, -0.0000300100000000, 0.0000218000000000 ] - [ -0.0046879100000000, -0.0057109300000000, 0.0000704600000000 ] - [ -0.0004255700000000, 0.0009360400000000, 0.0005028600000000 ] - [ 0.0000125200000000, -0.0007166000000000, 0.0024371100000000 ] - [ 0.0000534000000000, 0.0000558700000000, 0.0003217800000000 ] - [ -0.0001108500000000, 0.0000527000000000, -0.0002889200000000 ] - [ 0.0010432900000000, -0.0005506500000000, 0.0001524200000000 ] - [ 0.0553642700000000, -0.1326779100000000, 0.0218548200000000 ] - [ -0.0000712300000000, 0.0000518000000000, -0.0001921700000000 ] - [ -0.0001854400000000, -0.0003307800000000, -0.0009620600000000 ] - [ 0.0002377400000000, 0.0000804200000000, -0.0000150300000000 ] - [ -0.0198123900000000, 0.0082692600000000, 0.0001088600000000 ] - [ 0.0000539500000000, -0.0001054600000000, -0.0001126900000000 ] - [ 0.0000062000000000, -0.0002628400000000, -0.0002721800000000 ] - [ -0.0005432000000000, 0.0014069400000000, 0.0016445900000000 ] - [ 0.0000398800000000, -0.0000228600000000, -0.0002300800000000 ] - [ 0.0020310100000000, -0.0046516400000000, 0.0004968400000000 ] - [ 0.0000946500000000, 0.0000718600000000, -0.0002903900000000 ] - [ -0.0000119900000000, -0.0000650500000000, 0.0001484000000000 ] - [ -0.0015794400000000, 0.0021535900000000, 0.0016054900000000 ] - [ -0.0000878700000000, 0.0000245200000000, -0.0000530600000000 ] - [ -0.0186224200000000, 0.0070095400000000, 0.0038697100000000 ] - [ 0.0002016200000000, 0.0000603500000000, -0.0001835500000000 ] - [ 0.0002399500000000, 0.0002628900000000, 0.0001862600000000 ] - [ -0.0002844700000000, -0.0001439800000000, -0.0005578700000000 ] - [ -0.0000229600000000, 0.0001087800000000, -0.0002010600000000 ] - [ -0.0000650700000000, 0.0000124800000000, 0.0003477800000000 ] - [ -0.0010287700000000, 0.0023179800000000, -0.0025741000000000 ] - [ -0.0021262900000000, 0.0000400600000000, -0.0011559500000000 ] - [ -0.0008030300000000, -0.0004747800000000, 0.0001694800000000 ] - [ 0.0008759000000000, 0.0003665700000000, 0.0003794200000000 ] - [ -0.0010462400000000, 0.0011348300000000, 0.0021188600000000 ] - [ 0.0000076400000000, 0.0000208700000000, -0.0000531100000000 ] - [ -0.0001096600000000, -0.0000102500000000, -0.0000975500000000 ] - [ 0.0034044500000000, -0.0032853300000000, -0.0015916000000000 ] - [ -0.0006416100000000, 0.0005874900000000, 0.0014860800000000 ] - [ 0.0000492500000000, -0.0000218300000000, -0.0001290700000000 ] - [ 0.0000580500000000, -0.0000810000000000, -0.0001186200000000 ] - [ -0.0000032400000000, -0.0001516100000000, -0.0000390800000000 ] - [ 0.0000518300000000, 0.0000783300000000, -0.0001105900000000 ] - [ -0.0001859900000000, 0.0000560500000000, 0.0003165900000000 ] - [ 0.0011067900000000, 0.0016136700000000, -0.0007285100000000 ] - [ 0.0005109000000000, 0.0005660300000000, -0.0008749700000000 ] - [ -0.0000601900000000, -0.0000326000000000, -0.0001835100000000 ] - [ 0.0002658700000000, 0.0001199500000000, -0.0001310700000000 ] - [ 0.0002479900000000, 0.0001752900000000, -0.0005290100000000 ] - [ 0.0000359600000000, -0.0000629900000000, 0.0003294900000000 ] - [ -0.0027920300000000, -0.0018083700000000, 0.0003187300000000 ] - [ -0.0001659900000000, 0.0002355100000000, 0.0000309300000000 ] - [ -0.0000210300000000, -0.0000712200000000, 0.0001696700000000 ] - [ -0.0022182400000000, 0.0027605600000000, 0.0004979200000000 ] - [ 0.0000132200000000, -0.0000252700000000, -0.0001374000000000 ] - [ 0.0001480600000000, 0.0004805300000000, -0.0004007500000000 ] - [ 0.0036246400000000, 0.0184616000000000, -0.0045662700000000 ] - [ -0.0000359700000000, 0.0003426000000000, 0.0002692700000000 ] - [ 0.0002450800000000, -0.0002687500000000, 0.0001484800000000 ] - [ -0.0002382000000000, -0.0002285400000000, 0.0000788000000000 ] - [ -0.0036298200000000, -0.0038390500000000, -0.0079512600000000 ] - [ -0.0000019300000000, -0.0000073300000000, -0.0001225800000000 ] - [ -0.0027250600000000, 0.0029167900000000, 0.0133836100000000 ] - [ 0.0002881700000000, -0.0001033000000000, -0.0005044900000000 ] - [ 0.0002591000000000, 0.0002633500000000, 0.0000891000000000 ] - [ -0.0023664400000000, 0.0049421100000000, 0.0003511000000000 ] - [ -0.0001740400000000, 0.0003114900000000, -0.0002620000000000 ] - [ 0.0000280500000000, 0.0000457900000000, 0.0003504600000000 ] - [ 0.0029596500000000, 0.0014507200000000, 0.0010986000000000 ] - [ -0.0001218700000000, -0.0001161100000000, -0.0012372400000000 ] - [ -0.0000190100000000, -0.0000087000000000, -0.0003289800000000 ] - [ -0.0001484700000000, -0.0002814100000000, 0.0002120500000000 ] - [ -0.0015894000000000, 0.0011260800000000, -0.0033827400000000 ] - [ -0.0002449000000000, 0.0006855500000000, -0.0007600500000000 ] - [ 0.0001340000000000, 0.0000034800000000, -0.0000742000000000 ] - [ -0.0000146700000000, 0.0000164200000000, -0.0000455300000000 ] - [ 0.0015252700000000, 0.0002526200000000, 0.0007363700000000 ] - [ 0.0000501200000000, 0.0000007000000000, 0.0000349800000000 ] - [ -0.0000629300000000, -0.0005788800000000, -0.0001856400000000 ] - [ -0.0001598500000000, 0.0001698300000000, 0.0001325900000000 ] - [ 0.0003510400000000, 0.0000065700000000, -0.0002634100000000 ] - [ 0.0000199600000000, -0.0001215700000000, -0.0002881800000000 ] - [ 0.0071223600000000, 0.0014152600000000, -0.0115142100000000 ] - [ 0.0000897600000000, -0.0000319700000000, -0.0003299800000000 ] - [ 0.0000219600000000, -0.0014984500000000, 0.0006603000000000 ] - [ -0.0017109100000000, -0.0023993300000000, 0.0020397100000000 ] - [ -0.0000680200000000, 0.0001115900000000, -0.0000755600000000 ] - [ 0.0000517400000000, 0.0000960400000000, -0.0000967500000000 ] - [ -0.0001768900000000, -0.0003026000000000, -0.0002604000000000 ] - [ -0.0005336100000000, -0.0000424000000000, 0.0002017900000000 ] - [ 0.0000607200000000, 0.0008882500000000, 0.0000208100000000 ] - [ 0.0000015400000000, -0.0000112000000000, -0.0000363700000000 ] - [ -0.0004285300000000, 0.0003691700000000, -0.0004836800000000 ] - [ -0.0000672500000000, -0.0001180000000000, -0.0000704700000000 ] - [ -0.0005852300000000, -0.0001116600000000, 0.0003777800000000 ] - [ 0.0000179500000000, 0.0001175200000000, -0.0002913700000000 ] - [ 0.0020665900000000, -0.0047338800000000, 0.0011355700000000 ] - [ 0.0000979900000000, -0.0000801700000000, -0.0002868300000000 ] - [ 0.0004063300000000, -0.0000183300000000, 0.0003826900000000 ] - [ -0.0000988700000000, -0.0002631400000000, -0.0002379800000000 ] - [ -0.0000750700000000, -0.0000271500000000, 0.0000696700000000 ] - [ 0.0014982300000000, 0.0012057600000000, -0.0010340200000000 ] - [ -0.0001125100000000, -0.0000450400000000, -0.0002881500000000 ] - [ -0.0000014400000000, 0.0000255700000000, -0.0000919700000000 ] - [ 0.0030710900000000, 0.0232240700000000, 0.0009604700000000 ] - [ 0.0001595700000000, -0.0002125400000000, 0.0001617400000000 ] - [ -0.0001019900000000, -0.0000035400000000, -0.0001184600000000 ] - [ -0.0005189200000000, -0.0001213200000000, -0.0010341100000000 ] - [ -0.0000572900000000, 0.0001076300000000, -0.0003041700000000 ] - [ -0.0022592200000000, 0.0032575600000000, 0.0002157500000000 ] - [ -0.0001455400000000, 0.0001602900000000, -0.0003008500000000 ]- atom: 74 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0000587600000000, -0.0000749700000000, -0.0001372800000000 ] - [ -0.0002116500000000, -0.0001796300000000, 0.0001649300000000 ] - [ -0.0005502900000000, 0.0030915000000000, 0.0011312500000000 ] - [ -0.0000817300000000, 0.0000373500000000, -0.0001797100000000 ] - [ 0.0000141200000000, 0.0000435100000000, -0.0001754100000000 ] - [ 0.0027122900000000, -0.0040993700000000, 0.0023051900000000 ] - [ -0.0000148400000000, 0.0000719800000000, -0.0003632900000000 ] - [ 0.0001051200000000, -0.0001477900000000, -0.0000310200000000 ] - [ 0.0069521800000000, 0.0014905300000000, -0.0009737200000000 ] - [ 0.0000129400000000, 0.0001694900000000, -0.0004549100000000 ] - [ -0.0000917400000000, 0.0005607000000000, -0.0005284200000000 ] - [ -0.0002742000000000, 0.0005679100000000, 0.0011938000000000 ] - [ -0.0000031500000000, 0.0000045200000000, 0.0003119300000000 ] - [ 0.0005169700000000, -0.0015208300000000, -0.0026939100000000 ] - [ -0.0001132000000000, -0.0000154700000000, -0.0001472300000000 ] - [ 0.0000451600000000, 0.0001081900000000, -0.0001564700000000 ] - [ -0.0068611900000000, 0.0000753100000000, 0.0033685800000000 ] - [ 0.0000259200000000, -0.0000813200000000, -0.0004000400000000 ] - [ 0.0011130300000000, 0.0005398400000000, 0.0004242500000000 ] - [ -0.0009964200000000, -0.0011027200000000, 0.0004374400000000 ] - [ 0.0002679200000000, -0.0004212900000000, -0.0000450100000000 ] - [ -0.0004000900000000, -0.0005230300000000, 0.0001144400000000 ] - [ -0.0003372700000000, 0.0002485700000000, -0.0001490300000000 ] - [ -0.0050035200000000, -0.0059884100000000, -0.0015982400000000 ] - [ -0.0034232200000000, -0.0002635600000000, 0.0031721800000000 ] - [ -0.0001461500000000, -0.0002605200000000, -0.0000600300000000 ] - [ -0.0000031600000000, -0.0000062500000000, -0.0003011100000000 ] - [ -0.0000979400000000, 0.0000644800000000, -0.0003975700000000 ] - [ 0.0009473800000000, 0.0009228100000000, 0.0002521500000000 ] - [ 0.0001628100000000, -0.0003305000000000, 0.0007798100000000 ] - [ 0.0000055600000000, -0.0000152400000000, -0.0003836500000000 ] - [ 0.0064695500000000, -0.0035859600000000, 0.0027120700000000 ] - [ -0.0005356900000000, 0.0002408500000000, 0.0003525700000000 ] - [ 0.0135916800000000, -0.0213588200000000, 0.0023513500000000 ] - [ 0.0002908200000000, 0.0000093200000000, -0.0000558200000000 ] - [ 0.0000919500000000, 0.0005463700000000, -0.0006052100000000 ] - [ -0.0001429800000000, 0.0002367000000000, -0.0000576200000000 ] - [ 0.0003806300000000, -0.0000661100000000, -0.0001972900000000 ] - [ -0.0000015200000000, -0.0000072500000000, -0.0004492300000000 ] - [ 0.0000512400000000, -0.0000980400000000, -0.0001455100000000 ] - [ -0.0041323300000000, 0.0065367700000000, 0.0043686500000000 ] - [ -0.0001079000000000, 0.0000048900000000, -0.0001542800000000 ] - [ 0.0002815200000000, -0.0002810200000000, -0.0000334000000000 ] - [ -0.0006225800000000, 0.0030105500000000, -0.0008063800000000 ] - [ 0.0000564900000000, -0.0000785400000000, -0.0001538700000000 ] - [ 0.0000509700000000, 0.0000321700000000, -0.0003870800000000 ] - [ 0.0299649800000000, -0.0230466800000000, -0.0095041400000000 ] - [ -0.0000315100000000, 0.0004558000000000, 0.0002039300000000 ] - [ -0.0004618900000000, 0.0001530800000000, -0.0003655800000000 ] - [ 0.0000003300000000, -0.0000048700000000, -0.0002958500000000 ] - [ -0.0016569500000000, -0.0011060500000000, 0.0003495300000000 ] - [ -0.0034172100000000, 0.0067758900000000, 0.0036123800000000 ] - [ -0.0000070300000000, -0.0002378000000000, -0.0016962600000000 ] - [ -0.0013901100000000, 0.0009844500000000, -0.0023289600000000 ] - [ -0.0066863600000000, 0.0098185200000000, -0.0047333100000000 ] - [ -0.0008041600000000, -0.0005867900000000, 0.0002307800000000 ] - [ 0.0003301100000000, 0.0002536000000000, 0.0001393700000000 ] - [ 0.0000091000000000, 0.0000401800000000, -0.0004765500000000 ] - [ 0.0001675000000000, -0.0000406500000000, -0.0005063100000000 ] - [ 0.0000659300000000, 0.0000925200000000, -0.0001448500000000 ] - [ 0.0001993500000000, 0.0003366200000000, -0.0003978200000000 ] - [ -0.0000429300000000, 0.0000581200000000, -0.0004317300000000 ] - [ 0.0000532600000000, -0.0001220200000000, -0.0004907700000000 ] - [ -0.0005598800000000, 0.0004859800000000, 0.0003621300000000 ] - [ -0.0103360900000000, -0.0485788200000000, 0.0206310500000000 ] - [ 0.0000041100000000, -0.0000830300000000, -0.0001045500000000 ] - [ -0.0001361000000000, -0.0004581000000000, 0.0001732600000000 ] - [ 0.0047065900000000, 0.0057040700000000, -0.0004916800000000 ] - [ 0.0001460000000000, -0.0004520200000000, -0.0006010500000000 ] - [ -0.0000388800000000, 0.0006820900000000, -0.0020004600000000 ] - [ -0.0000512500000000, -0.0000626300000000, 0.0000153500000000 ] - [ -0.0001044800000000, 0.0000596500000000, -0.0001229100000000 ] - [ -0.0009801700000000, 0.0004399800000000, -0.0010226000000000 ] - [ -0.0561004700000000, 0.1350648200000000, -0.0239394600000000 ] - [ -0.0000767000000000, 0.0002050300000000, -0.0000715400000000 ] - [ 0.0001679000000000, 0.0002965700000000, 0.0004205400000000 ] - [ -0.0001373900000000, -0.0002693400000000, 0.0000833400000000 ] - [ 0.0200881800000000, -0.0083317200000000, 0.0004562100000000 ] - [ 0.0000564400000000, -0.0000746000000000, 0.0000458000000000 ] - [ 0.0002174900000000, 0.0006383200000000, 0.0002724100000000 ] - [ 0.0000921700000000, -0.0014109100000000, -0.0016596100000000 ] - [ 0.0000752200000000, 0.0000196800000000, -0.0001395800000000 ] - [ -0.0020204800000000, 0.0043919700000000, -0.0003711900000000 ] - [ 0.0001046200000000, 0.0000653300000000, -0.0001275900000000 ] - [ 0.0000317900000000, 0.0003049100000000, 0.0002689700000000 ] - [ 0.0015237600000000, -0.0020514700000000, -0.0012233000000000 ] - [ -0.0001273200000000, -0.0001311600000000, 0.0004692800000000 ] - [ 0.0183537200000000, -0.0069522300000000, -0.0032949300000000 ] - [ 0.0000940200000000, -0.0000597700000000, -0.0000813500000000 ] - [ 0.0004566100000000, -0.0002582700000000, 0.0001816400000000 ] - [ 0.0003473600000000, 0.0002500200000000, -0.0003103000000000 ] - [ -0.0000374300000000, -0.0000105000000000, -0.0001686500000000 ] - [ -0.0000624200000000, -0.0000147400000000, 0.0005226000000000 ] - [ 0.0009797000000000, -0.0024184200000000, 0.0029621000000000 ] - [ 0.0022418400000000, -0.0000382800000000, 0.0015395400000000 ] - [ 0.0007952200000000, 0.0004733600000000, -0.0004916700000000 ] - [ -0.0009296200000000, -0.0002616800000000, -0.0000109800000000 ] - [ 0.0007239800000000, -0.0005660000000000, -0.0021360700000000 ] - [ 0.0000227100000000, 0.0000312200000000, 0.0001386000000000 ] - [ -0.0001039600000000, 0.0000054000000000, 0.0000309400000000 ] - [ -0.0032147800000000, 0.0028595100000000, 0.0016696700000000 ] - [ 0.0006733900000000, -0.0005372500000000, -0.0015697400000000 ] - [ 0.0001108200000000, 0.0002010900000000, -0.0000009900000000 ] - [ 0.0000445500000000, -0.0001066300000000, 0.0000519600000000 ] - [ -0.0000158500000000, 0.0001840500000000, -0.0005027100000000 ] - [ 0.0000575500000000, 0.0000996300000000, 0.0000424600000000 ] - [ -0.0000477500000000, -0.0000997500000000, -0.0004419800000000 ] - [ -0.0008180700000000, -0.0016096400000000, 0.0010052200000000 ] - [ -0.0004097500000000, -0.0003784500000000, 0.0009398700000000 ] - [ 0.0000112100000000, -0.0000681200000000, -0.0001849500000000 ] - [ -0.0000060900000000, -0.0001204200000000, 0.0001442500000000 ] - [ -0.0002135600000000, -0.0001765500000000, -0.0000124600000000 ] - [ 0.0000257600000000, -0.0000492300000000, 0.0005414400000000 ] - [ 0.0029482200000000, 0.0019854400000000, -0.0001880900000000 ] - [ -0.0000672100000000, -0.0001885300000000, -0.0001636700000000 ] - [ 0.0000209800000000, 0.0000736000000000, 0.0001513900000000 ] - [ 0.0018396300000000, -0.0034475600000000, -0.0008201100000000 ] - [ -0.0000139200000000, 0.0000242200000000, 0.0001374400000000 ] - [ -0.0005512500000000, 0.0002067600000000, 0.0007181000000000 ] - [ -0.0039720400000000, -0.0175443600000000, 0.0041905900000000 ] - [ -0.0003075500000000, 0.0002628400000000, 0.0000979200000000 ] - [ -0.0000393700000000, 0.0001387700000000, 0.0002646100000000 ] - [ -0.0001084200000000, -0.0003724400000000, 0.0002850300000000 ] - [ 0.0034494300000000, 0.0041440300000000, 0.0082065300000000 ] - [ 0.0000013800000000, 0.0000060400000000, 0.0001228100000000 ] - [ 0.0028485400000000, -0.0029191200000000, -0.0129322400000000 ] - [ -0.0002209200000000, -0.0001229000000000, 0.0003866800000000 ] - [ -0.0003142300000000, -0.0002628800000000, -0.0001728200000000 ] - [ 0.0031706400000000, -0.0049506500000000, -0.0006738700000000 ] - [ -0.0001697700000000, 0.0002944500000000, -0.0001054100000000 ] - [ 0.0000323700000000, 0.0000586300000000, 0.0005196800000000 ] - [ -0.0029263100000000, -0.0014490900000000, -0.0005558700000000 ] - [ -0.0000949800000000, 0.0001122500000000, 0.0013004400000000 ] - [ -0.0000441100000000, -0.0000848700000000, -0.0000389000000000 ] - [ 0.0000174200000000, 0.0000530600000000, -0.0001984400000000 ] - [ 0.0012660800000000, -0.0016798900000000, 0.0033591800000000 ] - [ 0.0001175100000000, -0.0006859400000000, -0.0001058100000000 ] - [ 0.0001242100000000, -0.0000051700000000, 0.0000611700000000 ] - [ -0.0000422300000000, -0.0000155800000000, 0.0001300900000000 ] - [ -0.0015875100000000, -0.0003515300000000, -0.0003683600000000 ] - [ -0.0000498300000000, -0.0000007900000000, 0.0002859300000000 ] - [ 0.0002241000000000, 0.0004048700000000, 0.0000629400000000 ] - [ -0.0000556400000000, -0.0000569600000000, 0.0002817800000000 ] - [ 0.0003458200000000, -0.0000014300000000, -0.0001040200000000 ] - [ -0.0000054400000000, -0.0001190600000000, -0.0001272800000000 ] - [ -0.0071411200000000, -0.0013491600000000, 0.0111709000000000 ] - [ 0.0000277000000000, 0.0000346200000000, -0.0000409800000000 ] - [ 0.0000882200000000, 0.0013139600000000, -0.0005940300000000 ] - [ 0.0015672400000000, 0.0021322600000000, -0.0017684500000000 ] - [ -0.0000624900000000, 0.0001110500000000, 0.0000623700000000 ] - [ 0.0000478800000000, 0.0000879500000000, 0.0000286300000000 ] - [ -0.0001700700000000, -0.0002984800000000, -0.0001050300000000 ] - [ 0.0001320400000000, -0.0006560900000000, 0.0001146700000000 ] - [ 0.0007455400000000, -0.0008951800000000, 0.0002912500000000 ] - [ 0.0000279000000000, -0.0000377900000000, 0.0001209700000000 ] - [ 0.0004568200000000, -0.0004164200000000, 0.0004032200000000 ] - [ -0.0000633600000000, -0.0001084300000000, 0.0000587500000000 ] - [ 0.0003740500000000, 0.0001137300000000, -0.0003090700000000 ] - [ 0.0000014600000000, 0.0001236400000000, -0.0001264000000000 ] - [ -0.0019020200000000, 0.0050123300000000, -0.0010046100000000 ] - [ 0.0001070700000000, -0.0000501600000000, -0.0001250000000000 ] - [ -0.0003298000000000, 0.0002468700000000, -0.0005123500000000 ] - [ -0.0000488900000000, 0.0000065700000000, -0.0000268600000000 ] - [ 0.0002728600000000, 0.0001638000000000, 0.0003478500000000 ] - [ -0.0008372500000000, -0.0012016000000000, 0.0010203000000000 ] - [ -0.0001031500000000, -0.0000625900000000, -0.0001272200000000 ] - [ 0.0000003700000000, -0.0000276400000000, 0.0000924700000000 ] - [ -0.0033858800000000, -0.0236291000000000, -0.0008168800000000 ] - [ -0.0001452300000000, -0.0000275200000000, 0.0002544900000000 ] - [ -0.0001090500000000, 0.0000088200000000, 0.0000515200000000 ] - [ 0.0006247000000000, 0.0002994700000000, 0.0011003200000000 ] - [ 0.0000018900000000, -0.0000051300000000, -0.0000679800000000 ] - [ 0.0020040500000000, -0.0032250100000000, -0.0000835000000000 ] - [ 0.0000140700000000, 0.0000645000000000, 0.0003142000000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000075500000000, -0.0000777300000000, -0.0023040100000000 ] - [ 0.0022917000000000, 0.0003895600000000, 0.0021416100000000 ] - [ -0.0001363400000000, -0.0014902500000000, 0.0019740300000000 ] - [ -0.0000526100000000, 0.0000276800000000, -0.0022120500000000 ] - [ 0.0000565100000000, 0.0000652800000000, -0.0022123300000000 ] - [ -0.0028714500000000, -0.0043997100000000, -0.0002971600000000 ] - [ -0.0000420400000000, 0.0000849500000000, -0.0015004000000000 ] - [ 0.0000544600000000, 0.0001300800000000, -0.0017133700000000 ] - [ 0.0028917000000000, 0.0051436400000000, 0.0078784300000000 ] - [ -0.0000262400000000, -0.0001432500000000, -0.0020262200000000 ] - [ -0.0002491800000000, 0.0008911000000000, -0.0013588500000000 ] - [ 0.0002412500000000, -0.0000667500000000, 0.0002670200000000 ] - [ -0.0000008200000000, -0.0000030500000000, -0.0012341000000000 ] - [ 0.0000090800000000, 0.0002962300000000, -0.0069603800000000 ] - [ 0.0000490300000000, -0.0000426200000000, -0.0015150600000000 ] - [ -0.0000519500000000, -0.0000097300000000, -0.0015366200000000 ] - [ 0.0002674300000000, -0.0002262900000000, 0.0044329700000000 ] - [ 0.0001515000000000, -0.0001354000000000, -0.0019429500000000 ] - [ -0.0002000200000000, 0.0004934300000000, 0.0048997700000000 ] - [ 0.0011377000000000, 0.0001475300000000, 0.0009326800000000 ] - [ -0.0004759800000000, 0.0004455800000000, -0.0019746100000000 ] - [ 0.0007916500000000, -0.0001475600000000, -0.0014478100000000 ] - [ -0.0001848600000000, 0.0003350800000000, -0.0011263800000000 ] - [ -0.0028502000000000, -0.0007402800000000, 0.0073608800000000 ] - [ 0.0054021600000000, -0.0005617400000000, -0.0012542800000000 ] - [ -0.0002274400000000, -0.0003694900000000, -0.0014207000000000 ] - [ -0.0000040200000000, 0.0000003600000000, -0.0018894100000000 ] - [ 0.0000128800000000, -0.0001113100000000, -0.0018286900000000 ] - [ 0.0001432800000000, 0.0007198400000000, 0.0006200700000000 ] - [ -0.0002390800000000, -0.0003848200000000, -0.0022255500000000 ] - [ -0.0000177300000000, -0.0000142700000000, -0.0020573200000000 ] - [ -0.0042598900000000, -0.0057453900000000, -0.0044898000000000 ] - [ 0.0007184300000000, -0.0002844500000000, -0.0011477300000000 ] - [ -0.0009897700000000, -0.0034794500000000, 0.0260252200000000 ] - [ 0.0004352700000000, -0.0000040700000000, -0.0014184600000000 ] - [ 0.0002621300000000, 0.0010385600000000, 0.0000284900000000 ] - [ -0.0002040500000000, 0.0003714500000000, -0.0014443300000000 ] - [ 0.0007372700000000, -0.0001209400000000, -0.0012171700000000 ] - [ 0.0000196600000000, 0.0000038000000000, -0.0019177100000000 ] - [ -0.0000618300000000, 0.0000262300000000, -0.0015231100000000 ] - [ 0.0001658000000000, 0.0000638700000000, 0.0029086900000000 ] - [ 0.0000397700000000, 0.0000449100000000, -0.0015450900000000 ] - [ 0.0009110100000000, -0.0005969500000000, -0.0015615300000000 ] - [ -0.0000697500000000, 0.0014018400000000, 0.0010314600000000 ] - [ 0.0000036100000000, 0.0000587000000000, -0.0015127200000000 ] - [ -0.0000859800000000, 0.0000101000000000, -0.0018193300000000 ] - [ -0.0240177500000000, 0.0003697200000000, 0.0407681900000000 ] - [ -0.0004949300000000, -0.0002885200000000, -0.0017324500000000 ] - [ -0.0005270200000000, 0.0003283200000000, -0.0011237000000000 ] - [ 0.0000010400000000, -0.0000037300000000, -0.0018428400000000 ] - [ 0.0002155600000000, 0.0001048200000000, 0.0040713500000000 ] - [ -0.0006253900000000, 0.0000800700000000, 0.0040153900000000 ] - [ -0.0011129200000000, 0.0012773700000000, -0.0071203900000000 ] - [ -0.0025827600000000, 0.0034182600000000, -0.0015915300000000 ] - [ -0.0041625000000000, 0.0027944500000000, 0.0039955400000000 ] - [ -0.0006909700000000, -0.0006722500000000, 0.0007262700000000 ] - [ -0.0002694100000000, -0.0003683000000000, -0.0011576800000000 ] - [ -0.0000674700000000, 0.0001182200000000, -0.0019135800000000 ] - [ -0.0007356300000000, 0.0002317000000000, -0.0001232600000000 ] - [ 0.0000198600000000, -0.0000771500000000, -0.0015289600000000 ] - [ -0.0000750400000000, 0.0006062500000000, -0.0012990900000000 ] - [ -0.0000506900000000, 0.0000406000000000, -0.0019099700000000 ] - [ 0.0000164600000000, 0.0000739000000000, -0.0020831700000000 ] - [ 0.0000176100000000, -0.0006834900000000, -0.0001325200000000 ] - [ -0.0301997900000000, -0.0411435700000000, 0.0491968900000000 ] - [ 0.0002614500000000, 0.0003905700000000, -0.0015072600000000 ] - [ 0.0005298200000000, -0.0007582900000000, -0.0020008200000000 ] - [ 0.0018143300000000, 0.0022806700000000, 0.0027334000000000 ] - [ -0.0005076900000000, 0.0000052500000000, -0.0021246900000000 ] - [ -0.0008759700000000, 0.0004818700000000, -0.0007918600000000 ] - [ -0.0001042500000000, -0.0000836800000000, -0.0014291100000000 ] - [ -0.0000606000000000, 0.0001408200000000, 0.0008865100000000 ] - [ 0.0006328700000000, 0.0005767900000000, 0.0016331000000000 ] - [ 0.0761814600000000, 0.0699665400000000, -0.1442817800000000 ] - [ -0.0002042200000000, 0.0001999600000000, 0.0011397000000000 ] - [ 0.0004777900000000, -0.0000624200000000, 0.0005151800000000 ] - [ 0.0002166200000000, -0.0001659600000000, 0.0001875600000000 ] - [ -0.0005576800000000, 0.0001370000000000, -0.0062656200000000 ] - [ 0.0001089300000000, -0.0001376100000000, 0.0010721700000000 ] - [ 0.0011997500000000, 0.0002302900000000, -0.0017798200000000 ] - [ -0.0005545000000000, 0.0008346900000000, -0.0019019100000000 ] - [ -0.0000466600000000, 0.0001696400000000, 0.0007143300000000 ] - [ -0.0019221400000000, -0.0007455900000000, -0.0071241000000000 ] - [ 0.0001451600000000, -0.0000163000000000, 0.0008822300000000 ] - [ -0.0000934500000000, -0.0000013800000000, 0.0013747500000000 ] - [ -0.0011491900000000, 0.0002776600000000, -0.0014443100000000 ] - [ -0.0001398500000000, -0.0001916400000000, 0.0013525400000000 ] - [ 0.0020111500000000, 0.0007822900000000, -0.0058829000000000 ] - [ 0.0001165100000000, 0.0001024400000000, 0.0009028300000000 ] - [ 0.0003877800000000, 0.0001217200000000, 0.0012177100000000 ] - [ -0.0002439400000000, -0.0000582400000000, 0.0000520100000000 ] - [ 0.0001923900000000, 0.0001889600000000, 0.0008214000000000 ] - [ -0.0000856100000000, 0.0000111200000000, 0.0016534900000000 ] - [ 0.0012347300000000, -0.0023476300000000, -0.0007180500000000 ] - [ 0.0013877700000000, -0.0004321100000000, -0.0013762800000000 ] - [ 0.0004679800000000, 0.0005441300000000, -0.0027991300000000 ] - [ -0.0015914200000000, -0.0008651300000000, -0.0011399500000000 ] - [ -0.0009262500000000, 0.0010021700000000, -0.0014374700000000 ] - [ 0.0000763700000000, 0.0000681000000000, 0.0011816200000000 ] - [ -0.0001680900000000, 0.0000121400000000, 0.0010843800000000 ] - [ -0.0082728400000000, -0.0077440500000000, 0.0151561300000000 ] - [ -0.0010228600000000, 0.0011370500000000, 0.0018755000000000 ] - [ 0.0000222500000000, 0.0000489700000000, 0.0003036300000000 ] - [ 0.0000577200000000, -0.0001335200000000, 0.0010435200000000 ] - [ -0.0004272300000000, 0.0003235000000000, 0.0003955700000000 ] - [ 0.0000478500000000, 0.0001321500000000, 0.0010458100000000 ] - [ -0.0005594800000000, 0.0007570900000000, 0.0014489200000000 ] - [ 0.0000489000000000, -0.0016281100000000, -0.0017492900000000 ] - [ -0.0007528900000000, -0.0014148300000000, 0.0019238200000000 ] - [ -0.0002641400000000, 0.0001145000000000, 0.0008715800000000 ] - [ 0.0000185400000000, -0.0002152800000000, 0.0008203000000000 ] - [ -0.0001003800000000, -0.0000619700000000, 0.0003314200000000 ] - [ 0.0000377000000000, -0.0000813100000000, 0.0017078900000000 ] - [ -0.0000106600000000, -0.0001525000000000, -0.0026244800000000 ] - [ -0.0002120900000000, 0.0001068200000000, 0.0003222900000000 ] - [ 0.0001016800000000, 0.0001587800000000, 0.0016913700000000 ] - [ -0.0005207100000000, -0.0013593400000000, -0.0018478700000000 ] - [ -0.0000126100000000, -0.0000277800000000, 0.0016825200000000 ] - [ 0.0005300700000000, -0.0011198700000000, 0.0012406300000000 ] - [ -0.0006194300000000, -0.0065912800000000, -0.0035327600000000 ] - [ -0.0002130000000000, 0.0006106500000000, 0.0013560600000000 ] - [ 0.0000640600000000, -0.0001518300000000, 0.0015646500000000 ] - [ -0.0002028500000000, -0.0003880100000000, 0.0010785000000000 ] - [ 0.0136326700000000, -0.0014321500000000, 0.0107279000000000 ] - [ 0.0000227000000000, 0.0000089000000000, 0.0016052900000000 ] - [ -0.0078386500000000, 0.0098825700000000, 0.0128617000000000 ] - [ -0.0014888900000000, -0.0004802300000000, 0.0025058600000000 ] - [ -0.0001651900000000, 0.0000331900000000, 0.0002966400000000 ] - [ 0.0011812300000000, -0.0004672800000000, -0.0020032700000000 ] - [ -0.0001135600000000, 0.0002037700000000, 0.0009176100000000 ] - [ 0.0000474000000000, 0.0000691200000000, 0.0016509300000000 ] - [ -0.0011763200000000, -0.0006284400000000, -0.0024872100000000 ] - [ 0.0007746400000000, -0.0006378700000000, 0.0021594900000000 ] - [ 0.0001083700000000, -0.0002519300000000, 0.0009153600000000 ] - [ -0.0003427000000000, -0.0000004300000000, 0.0010096900000000 ] - [ 0.0014250000000000, -0.0018309400000000, -0.0004514200000000 ] - [ -0.0000877800000000, -0.0002949300000000, 0.0000327500000000 ] - [ 0.0001145700000000, 0.0000012400000000, 0.0009003700000000 ] - [ -0.0000945300000000, -0.0000110100000000, 0.0011882000000000 ] - [ 0.0014164500000000, 0.0013841700000000, -0.0013543300000000 ] - [ -0.0002761400000000, -0.0000059600000000, 0.0014271300000000 ] - [ 0.0005978700000000, 0.0003558900000000, 0.0025232600000000 ] - [ -0.0001820700000000, -0.0000106000000000, 0.0010791800000000 ] - [ 0.0002320500000000, 0.0000020900000000, 0.0009023800000000 ] - [ -0.0000887300000000, -0.0001199700000000, 0.0008983300000000 ] - [ -0.0105496400000000, -0.0172911700000000, 0.0203415200000000 ] - [ 0.0001920300000000, -0.0002946400000000, 0.0009815600000000 ] - [ -0.0010736700000000, 0.0002256300000000, 0.0023341200000000 ] - [ -0.0027014200000000, 0.0002269700000000, -0.0015014600000000 ] - [ -0.0000613800000000, 0.0000988000000000, 0.0009046100000000 ] - [ 0.0000832500000000, 0.0001578600000000, 0.0010537800000000 ] - [ -0.0001146500000000, -0.0002014700000000, 0.0009055000000000 ] - [ -0.0001396200000000, -0.0005408600000000, 0.0002195900000000 ] - [ 0.0005600200000000, -0.0002528800000000, 0.0003607000000000 ] - [ 0.0000355800000000, -0.0000931600000000, 0.0011721300000000 ] - [ 0.0003991700000000, -0.0002923100000000, 0.0004123800000000 ] - [ -0.0000566600000000, -0.0001024700000000, 0.0009039100000000 ] - [ -0.0005843600000000, 0.0001871400000000, 0.0001981300000000 ] - [ -0.0000930900000000, 0.0001210700000000, 0.0008938400000000 ] - [ -0.0018144100000000, 0.0002075900000000, -0.0074528400000000 ] - [ 0.0001542100000000, 0.0000226600000000, 0.0009128000000000 ] - [ 0.0009417400000000, 0.0000279800000000, 0.0014479700000000 ] - [ 0.0000690100000000, -0.0001650700000000, 0.0009343000000000 ] - [ 0.0001583300000000, 0.0001465300000000, 0.0012075300000000 ] - [ 0.0002755000000000, -0.0008959700000000, -0.0012969500000000 ] - [ -0.0000539000000000, -0.0001409000000000, 0.0008962300000000 ] - [ -0.0000030700000000, 0.0000254400000000, 0.0015875800000000 ] - [ 0.0009579100000000, -0.0013410300000000, -0.0074512000000000 ] - [ 0.0003150800000000, -0.0000162300000000, 0.0013731600000000 ] - [ -0.0001540500000000, -0.0000053300000000, 0.0010309400000000 ] - [ 0.0013450500000000, 0.0001422100000000, 0.0015682700000000 ] - [ -0.0001224100000000, -0.0000760900000000, 0.0007010300000000 ] - [ 0.0000331400000000, 0.0001390600000000, -0.0024838500000000 ] - [ 0.0001971200000000, -0.0000082000000000, 0.0009528000000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000506300000000, -0.0000225800000000, 0.0023092900000000 ] - [ -0.0023035300000000, -0.0003918400000000, -0.0021749600000000 ] - [ 0.0001365000000000, 0.0014849900000000, -0.0015582800000000 ] - [ -0.0000633500000000, -0.0000270500000000, 0.0022175500000000 ] - [ 0.0000029600000000, 0.0000375300000000, 0.0022178400000000 ] - [ 0.0028198800000000, 0.0043148700000000, 0.0000778200000000 ] - [ 0.0000423900000000, -0.0000854600000000, 0.0010988400000000 ] - [ -0.0000612500000000, -0.0001318600000000, 0.0020541000000000 ] - [ -0.0032087100000000, -0.0047226200000000, -0.0080248100000000 ] - [ 0.0000244100000000, 0.0001397800000000, 0.0011861100000000 ] - [ 0.0003955600000000, -0.0006933600000000, 0.0014442300000000 ] - [ -0.0002603700000000, 0.0001095800000000, 0.0001484000000000 ] - [ -0.0000009700000000, -0.0000001400000000, 0.0020823100000000 ] - [ -0.0000099100000000, -0.0002950400000000, 0.0075730000000000 ] - [ -0.0002977500000000, 0.0000169400000000, 0.0014385300000000 ] - [ 0.0001475600000000, 0.0002363600000000, 0.0014589200000000 ] - [ -0.0004871400000000, 0.0007088000000000, -0.0045962200000000 ] - [ -0.0000845200000000, 0.0000194900000000, 0.0013204600000000 ] - [ -0.0001121000000000, -0.0008874100000000, -0.0050605500000000 ] - [ -0.0010532800000000, -0.0000149000000000, -0.0002681800000000 ] - [ 0.0010019900000000, -0.0003834200000000, 0.0021807000000000 ] - [ -0.0010672100000000, -0.0003353500000000, 0.0013534400000000 ] - [ -0.0000159900000000, 0.0001488800000000, 0.0013241100000000 ] - [ 0.0033948700000000, 0.0006714600000000, -0.0075047300000000 ] - [ -0.0053196600000000, 0.0006802100000000, 0.0018899800000000 ] - [ -0.0000505900000000, -0.0001125000000000, 0.0015220700000000 ] - [ -0.0000027800000000, -0.0000024300000000, 0.0015559900000000 ] - [ -0.0001728500000000, 0.0001069700000000, 0.0011785200000000 ] - [ -0.0002750400000000, -0.0007113600000000, 0.0000172100000000 ] - [ 0.0000005800000000, 0.0004063500000000, 0.0023066600000000 ] - [ 0.0000190000000000, 0.0000183900000000, 0.0014368600000000 ] - [ 0.0043182100000000, 0.0055849200000000, 0.0051484400000000 ] - [ -0.0005778400000000, 0.0000899000000000, 0.0012327700000000 ] - [ 0.0012165200000000, 0.0021445400000000, -0.0257583100000000 ] - [ 0.0001226800000000, 0.0000034900000000, 0.0015220400000000 ] - [ -0.0002177300000000, -0.0010386400000000, 0.0003877300000000 ] - [ -0.0000757600000000, 0.0001113800000000, 0.0015480200000000 ] - [ -0.0006323300000000, -0.0001066100000000, 0.0013009400000000 ] - [ -0.0000169800000000, -0.0000006400000000, 0.0012954900000000 ] - [ 0.0001640500000000, -0.0002544600000000, 0.0014467000000000 ] - [ -0.0001757400000000, -0.0000400200000000, -0.0033823000000000 ] - [ -0.0002787700000000, -0.0000231300000000, 0.0014685700000000 ] - [ -0.0003953600000000, 0.0005292800000000, 0.0017625400000000 ] - [ -0.0000922900000000, -0.0014025400000000, -0.0003648900000000 ] - [ 0.0001350000000000, -0.0002547900000000, 0.0014360000000000 ] - [ 0.0001653800000000, 0.0001252900000000, 0.0011707600000000 ] - [ 0.0229240500000000, -0.0002313000000000, -0.0403046800000000 ] - [ 0.0001768200000000, 0.0007093100000000, 0.0019386900000000 ] - [ 0.0002783400000000, -0.0003533500000000, 0.0012089600000000 ] - [ 0.0000006600000000, -0.0000032400000000, 0.0015095000000000 ] - [ -0.0001311000000000, 0.0000641800000000, -0.0035454800000000 ] - [ 0.0004394100000000, -0.0000895100000000, -0.0034916100000000 ] - [ 0.0012140900000000, -0.0014522200000000, 0.0065806600000000 ] - [ 0.0026460400000000, -0.0035244500000000, 0.0022262200000000 ] - [ 0.0041526500000000, -0.0028398100000000, -0.0044765700000000 ] - [ 0.0006913500000000, 0.0006740600000000, -0.0000890000000000 ] - [ 0.0003638100000000, 0.0005930600000000, 0.0012440900000000 ] - [ 0.0001353800000000, -0.0000025900000000, 0.0012910500000000 ] - [ 0.0008417500000000, -0.0000675000000000, -0.0004535500000000 ] - [ 0.0001284900000000, 0.0002734900000000, 0.0014512100000000 ] - [ 0.0006323400000000, -0.0006037000000000, 0.0012024700000000 ] - [ -0.0000840300000000, -0.0000398000000000, 0.0012873400000000 ] - [ 0.0000582400000000, -0.0002157800000000, 0.0014344800000000 ] - [ -0.0002128600000000, 0.0006931900000000, -0.0004434200000000 ] - [ 0.0313032600000000, 0.0423211300000000, -0.0489059400000000 ] - [ -0.0005844800000000, -0.0008106900000000, 0.0017065000000000 ] - [ -0.0007378100000000, 0.0002749500000000, 0.0022058300000000 ] - [ -0.0017552500000000, -0.0022634500000000, -0.0031840200000000 ] - [ 0.0002263600000000, 0.0004772300000000, 0.0020264700000000 ] - [ 0.0008611000000000, -0.0005217600000000, 0.0012104600000000 ] - [ 0.0001057300000000, 0.0000764200000000, 0.0017709700000000 ] - [ -0.0001548500000000, -0.0000286400000000, -0.0013009400000000 ] - [ -0.0005688300000000, -0.0006851900000000, -0.0025050700000000 ] - [ -0.0758521600000000, -0.0706610400000000, 0.1432593700000000 ] - [ 0.0000582500000000, 0.0000555300000000, -0.0014079500000000 ] - [ -0.0004988800000000, 0.0000339500000000, -0.0010514300000000 ] - [ -0.0001151000000000, -0.0000238700000000, -0.0001268600000000 ] - [ 0.0004343300000000, -0.0000411600000000, 0.0068181300000000 ] - [ 0.0000009500000000, -0.0000420100000000, -0.0011419900000000 ] - [ -0.0009941400000000, 0.0001465900000000, 0.0018026100000000 ] - [ 0.0001124100000000, -0.0008475500000000, 0.0019267100000000 ] - [ 0.0001626800000000, -0.0001733200000000, -0.0010847900000000 ] - [ 0.0019181000000000, 0.0004693300000000, 0.0072749000000000 ] - [ 0.0000540000000000, 0.0001538400000000, -0.0013027700000000 ] - [ 0.0001116500000000, 0.0002413700000000, -0.0009593500000000 ] - [ 0.0010883700000000, -0.0001770600000000, 0.0018002600000000 ] - [ -0.0000743400000000, 0.0000833500000000, -0.0009384100000000 ] - [ -0.0019408900000000, -0.0008552900000000, 0.0064179200000000 ] - [ 0.0001787800000000, -0.0001034200000000, -0.0011697000000000 ] - [ 0.0003084000000000, -0.0001161400000000, -0.0008533600000000 ] - [ 0.0003039600000000, 0.0001653100000000, -0.0009274800000000 ] - [ -0.0002542500000000, -0.0000918000000000, -0.0011933600000000 ] - [ -0.0000417100000000, -0.0000135400000000, -0.0007858200000000 ] - [ -0.0012788000000000, 0.0022438000000000, 0.0010724600000000 ] - [ -0.0012691400000000, 0.0004273400000000, 0.0017330800000000 ] - [ -0.0004669000000000, -0.0005415900000000, 0.0024617900000000 ] - [ 0.0015220300000000, 0.0009605800000000, 0.0015007000000000 ] - [ 0.0006087800000000, -0.0004404300000000, 0.0014612600000000 ] - [ -0.0000462800000000, -0.0000154900000000, -0.0010987800000000 ] - [ -0.0000450700000000, -0.0000170900000000, -0.0011541400000000 ] - [ 0.0086380300000000, 0.0074702400000000, -0.0153368200000000 ] - [ 0.0010489900000000, -0.0010792700000000, -0.0019565000000000 ] - [ 0.0001388800000000, 0.0001295400000000, -0.0004290700000000 ] - [ 0.0000449200000000, -0.0000539200000000, -0.0011128200000000 ] - [ 0.0004152800000000, -0.0002981600000000, -0.0009329000000000 ] - [ 0.0000618200000000, 0.0000456900000000, -0.0011165500000000 ] - [ 0.0003356400000000, -0.0008141000000000, -0.0015872900000000 ] - [ 0.0002477200000000, 0.0016192600000000, 0.0020018900000000 ] - [ 0.0008474000000000, 0.0015893000000000, -0.0018478800000000 ] - [ 0.0002173300000000, -0.0002162600000000, -0.0012430100000000 ] - [ 0.0002399500000000, 0.0002128400000000, -0.0008084900000000 ] - [ 0.0001321000000000, 0.0000607800000000, -0.0008685300000000 ] - [ 0.0000239500000000, -0.0000306500000000, -0.0008401900000000 ] - [ 0.0001650400000000, 0.0003310400000000, 0.0027583400000000 ] - [ -0.0000174700000000, -0.0000590000000000, -0.0004485700000000 ] - [ -0.0001029200000000, -0.0001578600000000, -0.0013771600000000 ] - [ 0.0001121000000000, 0.0006633400000000, 0.0015423200000000 ] - [ 0.0000118600000000, 0.0000267000000000, -0.0016861400000000 ] - [ -0.0009466100000000, 0.0018257600000000, -0.0009256400000000 ] - [ 0.0002149300000000, 0.0072574100000000, 0.0032781000000000 ] - [ -0.0001306100000000, -0.0000045100000000, -0.0009913100000000 ] - [ 0.0001418500000000, 0.0000224800000000, -0.0011529300000000 ] - [ -0.0001440400000000, -0.0002126900000000, -0.0007184900000000 ] - [ -0.0135867500000000, 0.0016768100000000, -0.0103262300000000 ] - [ -0.0000231500000000, -0.0000100300000000, -0.0016092000000000 ] - [ 0.0078538300000000, -0.0097298900000000, -0.0123410900000000 ] - [ 0.0015732000000000, 0.0002584700000000, -0.0026469800000000 ] - [ 0.0001070300000000, -0.0000339100000000, -0.0003859700000000 ] - [ -0.0003748200000000, 0.0004615200000000, 0.0017001000000000 ] - [ -0.0002306000000000, 0.0004027300000000, -0.0012875500000000 ] - [ 0.0000128100000000, 0.0000353400000000, -0.0007835500000000 ] - [ 0.0012170700000000, 0.0006276700000000, 0.0030254900000000 ] - [ -0.0009840300000000, 0.0006304600000000, -0.0020917200000000 ] - [ -0.0001720000000000, 0.0001602100000000, -0.0012863800000000 ] - [ 0.0002102300000000, -0.0002268800000000, -0.0009977100000000 ] - [ -0.0017549300000000, 0.0012945300000000, 0.0004680100000000 ] - [ -0.0000377700000000, 0.0002928500000000, -0.0009091100000000 ] - [ 0.0001434900000000, -0.0000029100000000, -0.0009157100000000 ] - [ 0.0000372100000000, 0.0000120200000000, -0.0011064700000000 ] - [ -0.0014757400000000, -0.0014784000000000, 0.0017094200000000 ] - [ 0.0002798700000000, 0.0000062100000000, -0.0011093200000000 ] - [ -0.0004415500000000, -0.0005313600000000, -0.0026677300000000 ] - [ -0.0000329700000000, 0.0001239800000000, -0.0006690400000000 ] - [ 0.0004652400000000, 0.0000031100000000, -0.0012723200000000 ] - [ 0.0001035500000000, -0.0001206100000000, -0.0013164500000000 ] - [ 0.0103687100000000, 0.0169972400000000, -0.0203639000000000 ] - [ -0.0000766200000000, 0.0002996500000000, -0.0013562200000000 ] - [ 0.0011794400000000, -0.0004034500000000, -0.0022662000000000 ] - [ 0.0025481400000000, -0.0004785700000000, 0.0017502000000000 ] - [ -0.0000689800000000, 0.0001238200000000, -0.0009200200000000 ] - [ 0.0000160200000000, 0.0000256400000000, -0.0011247700000000 ] - [ -0.0002325800000000, -0.0003999400000000, -0.0012734000000000 ] - [ -0.0002654400000000, -0.0001576600000000, 0.0001050700000000 ] - [ 0.0002467200000000, 0.0002464500000000, -0.0000393500000000 ] - [ -0.0000058100000000, 0.0000441000000000, -0.0010902200000000 ] - [ -0.0003693900000000, 0.0002417500000000, -0.0005017300000000 ] - [ -0.0000739900000000, -0.0001237200000000, -0.0009178500000000 ] - [ 0.0003712400000000, -0.0001832200000000, -0.0001374800000000 ] - [ 0.0001126100000000, 0.0001201500000000, -0.0013142000000000 ] - [ 0.0019725500000000, 0.0000732200000000, 0.0075854600000000 ] - [ 0.0000506700000000, -0.0001531600000000, -0.0013273300000000 ] - [ -0.0008787500000000, 0.0002031000000000, -0.0015882600000000 ] - [ -0.0002180500000000, -0.0000897800000000, -0.0012010500000000 ] - [ 0.0000403100000000, -0.0000099000000000, -0.0007929600000000 ] - [ 0.0003691100000000, 0.0009002000000000, 0.0013192700000000 ] - [ -0.0001618700000000, 0.0000334400000000, -0.0013142700000000 ] - [ 0.0000019100000000, -0.0000273400000000, -0.0015911300000000 ] - [ -0.0011821200000000, 0.0014010800000000, 0.0075871100000000 ] - [ -0.0003004000000000, -0.0002232000000000, -0.0009594600000000 ] - [ -0.0000568100000000, 0.0000108500000000, -0.0011003000000000 ] - [ -0.0012303100000000, 0.0000364900000000, -0.0014984200000000 ] - [ 0.0000670600000000, 0.0001791300000000, -0.0010734100000000 ] - [ -0.0002660500000000, -0.0000934600000000, 0.0026177800000000 ] - [ -0.0003267700000000, 0.0002317500000000, -0.0009411700000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001963900000000, -0.0000219800000000, -0.0002502900000000 ] - [ -0.0001856200000000, -0.0002794400000000, -0.0011613300000000 ] - [ -0.0000033900000000, 0.0000210400000000, 0.0001558200000000 ] - [ -0.0000283300000000, -0.0000850300000000, -0.0001155600000000 ] - [ -0.0001018000000000, 0.0001378100000000, 0.0002036200000000 ] - [ -0.0001237200000000, -0.0007659600000000, 0.0015638700000000 ] - [ 0.0002101700000000, 0.0051313200000000, 0.0001041000000000 ] - [ -0.0000221700000000, -0.0000069200000000, 0.0000265300000000 ] - [ -0.0002040100000000, 0.0001434900000000, -0.0000690400000000 ] - [ 0.0000104500000000, 0.0000244000000000, -0.0004769500000000 ] - [ 0.0000916200000000, 0.0001083100000000, -0.0000015000000000 ] - [ -0.0009453400000000, 0.0026140800000000, -0.0015298400000000 ] - [ -0.0000706300000000, 0.0006387000000000, 0.0004236800000000 ] - [ 0.0000001800000000, -0.0000012500000000, 0.0002942900000000 ] - [ -0.0009303200000000, 0.0026433200000000, 0.0029145400000000 ] - [ 0.0018417800000000, 0.0013593200000000, -0.0007360500000000 ] - [ -0.0001878900000000, 0.0002306400000000, -0.0001814700000000 ] - [ 0.0267410000000000, -0.0088720900000000, -0.0060011800000000 ] - [ -0.0001205000000000, -0.0002296800000000, -0.0001716900000000 ] - [ 0.0000080300000000, 0.0000697800000000, 0.0002879700000000 ] - [ -0.0085169500000000, 0.0001810800000000, 0.0037799000000000 ] - [ -0.0001665400000000, -0.0002449400000000, -0.0000679000000000 ] - [ -0.0064231100000000, -0.0005646300000000, -0.0021871300000000 ] - [ 0.0003016800000000, -0.0000829200000000, -0.0002160000000000 ] - [ 0.0000154600000000, 0.0000641800000000, 0.0002838400000000 ] - [ -0.0025337000000000, -0.0006255900000000, 0.0000452900000000 ] - [ -0.0004852300000000, -0.0001778300000000, -0.0008229400000000 ] - [ -0.0004720400000000, -0.0016771600000000, -0.0001236200000000 ] - [ -0.0000696000000000, -0.0000032800000000, 0.0002783600000000 ] - [ -0.0001334800000000, 0.0000175700000000, -0.0000071800000000 ] - [ -0.0041953600000000, -0.0033239400000000, -0.0067217500000000 ] - [ 0.0000600000000000, -0.0000689200000000, 0.0003041000000000 ] - [ 0.0000580400000000, -0.0001078900000000, 0.0000030800000000 ] - [ 0.0000491500000000, -0.0002586600000000, -0.0000947200000000 ] - [ 0.0000363400000000, -0.0011255800000000, 0.0001123700000000 ] - [ 0.0001113500000000, 0.0007405600000000, 0.0001374600000000 ] - [ 0.0053530300000000, 0.0005434600000000, -0.0004982600000000 ] - [ 0.0000368700000000, -0.0001097800000000, 0.0000171400000000 ] - [ -0.0026301700000000, -0.0048888400000000, 0.0049831400000000 ] - [ -0.0010132300000000, 0.0006372800000000, 0.0001490100000000 ] - [ -0.0000079400000000, 0.0001759300000000, -0.0007484800000000 ] - [ -0.0013105900000000, 0.0005806000000000, -0.0018485200000000 ] - [ 0.0138211900000000, -0.0026377500000000, -0.0046524200000000 ] - [ -0.0000741200000000, -0.0000144700000000, 0.0002915800000000 ] - [ -0.0008058400000000, -0.0005097200000000, -0.0000825300000000 ] - [ -0.0097960800000000, -0.0006970600000000, 0.0020921600000000 ] - [ 0.0002048100000000, 0.0000620500000000, -0.0000460800000000 ] - [ -0.0031056000000000, -0.0047206900000000, 0.0025741800000000 ] - [ -0.0001133500000000, -0.0000034900000000, 0.0000242800000000 ] - [ 0.0001107200000000, -0.0006807800000000, 0.0005625500000000 ] - [ -0.0001740800000000, 0.0000630500000000, 0.0001073300000000 ] - [ -0.0000114000000000, -0.0000686600000000, 0.0002091800000000 ] - [ 0.0062411800000000, 0.0035020300000000, 0.0020246900000000 ] - [ 0.0000545300000000, -0.0000561100000000, 0.0002640300000000 ] - [ -0.0000434200000000, 0.0001539500000000, -0.0000166100000000 ] - [ 0.0000029200000000, -0.0000052500000000, 0.0002671100000000 ] - [ 0.0000633300000000, 0.0001189200000000, 0.0000002700000000 ] - [ -0.0068157700000000, 0.0003452200000000, -0.0033423100000000 ] - [ -0.0028007600000000, 0.0007225100000000, -0.0012150500000000 ] - [ 0.0026937300000000, -0.0015264500000000, -0.0009909500000000 ] - [ 0.0002723700000000, -0.0000178300000000, -0.0000869600000000 ] - [ -0.0000918100000000, -0.0003285800000000, -0.0001904100000000 ] - [ 0.0386734000000000, -0.0298194500000000, 0.0128081200000000 ] - [ 0.0003117500000000, -0.0011696100000000, -0.0002258200000000 ] - [ 0.0001224200000000, -0.0000090700000000, 0.0005222900000000 ] - [ 0.0021505500000000, -0.0051988000000000, -0.0008181100000000 ] - [ 0.0190733100000000, -0.0053560400000000, 0.0043948000000000 ] - [ -0.0000148700000000, 0.0001477000000000, -0.0002949500000000 ] - [ -0.0001101000000000, 0.0002356800000000, -0.0000915800000000 ] - [ -0.0007850100000000, 0.0016270800000000, 0.0010115000000000 ] - [ 0.0000141200000000, -0.0000224800000000, 0.0002388800000000 ] - [ 0.0000078800000000, 0.0004015600000000, -0.0003224200000000 ] - [ 0.0000215300000000, -0.0000563100000000, -0.0004028500000000 ] - [ 0.0000219700000000, -0.0001175100000000, -0.0000659800000000 ] - [ -0.1485565200000000, 0.0567219800000000, -0.0112640500000000 ] - [ 0.0026556900000000, -0.0006847700000000, -0.0010475500000000 ] - [ 0.0000482100000000, -0.0000895400000000, 0.0000588400000000 ] - [ -0.0001184900000000, 0.0000905000000000, 0.0004663100000000 ] - [ 0.0021737000000000, -0.0002077800000000, 0.0018770800000000 ] - [ 0.0008191800000000, 0.0000352100000000, 0.0002582200000000 ] - [ -0.0003117300000000, 0.0004228400000000, 0.0000542800000000 ] - [ 0.0289821500000000, -0.0159191400000000, -0.0035091000000000 ] - [ -0.0001009300000000, -0.0001180700000000, 0.0000672600000000 ] - [ 0.0008843000000000, 0.0002500400000000, -0.0015253000000000 ] - [ 0.0000617500000000, 0.0001223800000000, 0.0002289500000000 ] - [ -0.0000114200000000, 0.0000442300000000, 0.0002166200000000 ] - [ -0.0001175000000000, -0.0000369800000000, 0.0002600700000000 ] - [ 0.0000576200000000, -0.0000292900000000, 0.0002293500000000 ] - [ 0.0000807600000000, 0.0020646700000000, -0.0002210100000000 ] - [ 0.0003456300000000, -0.0000025200000000, 0.0002233300000000 ] - [ 0.0000411100000000, 0.0000498900000000, -0.0004122500000000 ] - [ 0.0047250900000000, -0.0004825800000000, 0.0001751900000000 ] - [ -0.0001006500000000, 0.0005950300000000, 0.0003879100000000 ] - [ -0.0000499400000000, -0.0000618200000000, 0.0002059900000000 ] - [ 0.0000589300000000, -0.0000111700000000, 0.0002424700000000 ] - [ -0.0000119900000000, 0.0000100100000000, -0.0001104500000000 ] - [ -0.0000155300000000, 0.0000582000000000, 0.0002005200000000 ] - [ -0.0000750100000000, -0.0001138400000000, 0.0014513500000000 ] - [ 0.0011719000000000, -0.0009902100000000, 0.0011594700000000 ] - [ -0.0030033700000000, 0.0056859900000000, 0.0092256500000000 ] - [ -0.0011242200000000, -0.0007139900000000, -0.0005821900000000 ] - [ 0.0000190700000000, 0.0000211700000000, -0.0000135800000000 ] - [ 0.0028527600000000, 0.0003795000000000, 0.0025701800000000 ] - [ -0.0006901200000000, 0.0013792500000000, -0.0007730500000000 ] - [ -0.0022250600000000, -0.0082029600000000, 0.0117676500000000 ] - [ 0.0033105900000000, -0.0004184400000000, -0.0133502400000000 ] - [ -0.0012503800000000, 0.0020757600000000, -0.0016810900000000 ] - [ 0.0001516700000000, 0.0000223200000000, 0.0001544600000000 ] - [ 0.0000545900000000, 0.0000937300000000, 0.0000561600000000 ] - [ -0.0058560400000000, 0.0014340500000000, -0.0004030400000000 ] - [ 0.0001328300000000, 0.0000004700000000, 0.0000278600000000 ] - [ 0.0001273900000000, 0.0007718000000000, -0.0004343600000000 ] - [ -0.0020214500000000, -0.0027113800000000, 0.0050970400000000 ] - [ 0.0001352600000000, 0.0000846700000000, 0.0002086500000000 ] - [ 0.0007972100000000, 0.0015627300000000, 0.0012979400000000 ] - [ 0.0146257600000000, 0.0103599600000000, -0.0017504400000000 ] - [ -0.0000534200000000, -0.0004130300000000, -0.0000037900000000 ] - [ 0.0000894500000000, 0.0000362200000000, 0.0002350400000000 ] - [ -0.0009567800000000, -0.0010460000000000, -0.0003680500000000 ] - [ -0.0002236100000000, 0.0002364900000000, -0.0002065900000000 ] - [ -0.0001679900000000, 0.0002932000000000, 0.0002269100000000 ] - [ 0.0000973400000000, -0.0000740400000000, 0.0002665800000000 ] - [ -0.0001901500000000, -0.0003289400000000, 0.0001824100000000 ] - [ -0.0001141500000000, 0.0001455900000000, 0.0001673000000000 ] - [ -0.0000656300000000, 0.0001052600000000, -0.0001530700000000 ] - [ 0.0000653900000000, -0.0000098400000000, 0.0001804600000000 ] - [ -0.0034627900000000, 0.0038930300000000, 0.0053717400000000 ] - [ -0.0000239500000000, -0.0000037300000000, -0.0000164500000000 ] - [ 0.0003647600000000, -0.0002239400000000, -0.0000753100000000 ] - [ -0.0000138100000000, -0.0003544300000000, 0.0006069200000000 ] - [ 0.0021648300000000, -0.0002536000000000, -0.0014320300000000 ] - [ 0.0000447300000000, 0.0000238000000000, 0.0003072900000000 ] - [ -0.0001171100000000, -0.0000021900000000, 0.0000591600000000 ] - [ -0.0042141200000000, -0.0006216800000000, -0.0001888300000000 ] - [ -0.0000485700000000, -0.0001108500000000, 0.0000310200000000 ] - [ 0.0000591600000000, -0.0006169700000000, -0.0003544700000000 ] - [ -0.0000626400000000, 0.0000051800000000, -0.0004026800000000 ] - [ 0.0001624100000000, 0.0002826500000000, -0.0000081400000000 ] - [ 0.0000337600000000, -0.0006208100000000, -0.0000623600000000 ] - [ -0.0000424000000000, -0.0000424100000000, 0.0002083700000000 ] - [ 0.0125157600000000, 0.0104478600000000, 0.0016419000000000 ] - [ 0.0049200900000000, -0.0013746000000000, -0.0136096700000000 ] - [ -0.0000920000000000, 0.0000817700000000, 0.0002162600000000 ] - [ 0.0002662800000000, -0.0003799500000000, -0.0002033000000000 ] - [ -0.0012086500000000, 0.0005289600000000, -0.0004052100000000 ] - [ 0.0000037200000000, 0.0000097800000000, -0.0001758000000000 ] - [ 0.0143142900000000, -0.0087668200000000, 0.0016870300000000 ] - [ 0.0000626300000000, -0.0000891000000000, 0.0000536600000000 ] - [ -0.0000405300000000, -0.0001330700000000, 0.0001471300000000 ] - [ -0.0018979200000000, -0.0006659700000000, -0.0004254800000000 ] - [ 0.0010517000000000, 0.0013079200000000, 0.0006771300000000 ] - [ -0.0000810900000000, -0.0007565500000000, -0.0005781700000000 ] - [ 0.0008391000000000, -0.0012497300000000, 0.0008072300000000 ] - [ 0.0003122200000000, -0.0010999400000000, 0.0002275900000000 ] - [ -0.0018229600000000, -0.0018065000000000, -0.0017158500000000 ] - [ 0.0000051600000000, -0.0000274700000000, -0.0000152200000000 ] - [ 0.0006771000000000, -0.0001829000000000, 0.0002586100000000 ] - [ -0.0000954000000000, 0.0000043100000000, 0.0000552000000000 ] - [ 0.0007884500000000, 0.0002450000000000, -0.0002391400000000 ] - [ 0.0002040200000000, 0.0001070900000000, -0.0000078800000000 ] - [ 0.0001898500000000, -0.0000096100000000, 0.0008196600000000 ] - [ 0.0027822000000000, 0.0006946400000000, -0.0015135900000000 ] - [ 0.0053480000000000, 0.0009804800000000, 0.0000302500000000 ] - [ 0.0000999500000000, 0.0000699600000000, 0.0001894300000000 ] - [ 0.0003380400000000, -0.0001156800000000, 0.0001070000000000 ] - [ 0.0000876700000000, 0.0005142700000000, 0.0006046300000000 ] - [ 0.0000070500000000, -0.0001407100000000, 0.0000764800000000 ] - [ -0.0002206400000000, 0.0000879800000000, -0.0000399000000000 ] - [ -0.0000347000000000, -0.0001165600000000, 0.0002298900000000 ] - [ 0.0020810200000000, 0.0005684300000000, -0.0008711500000000 ] - [ 0.0000442500000000, 0.0000894200000000, 0.0000598500000000 ] - [ 0.0033739100000000, 0.0002354900000000, -0.0005264000000000 ] - [ -0.0000902700000000, 0.0000877000000000, 0.0001698200000000 ] - [ -0.0000852300000000, 0.0001090200000000, 0.0000209000000000 ]- atom: 75 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001380300000000, -0.0000776400000000, 0.0002477700000000 ] - [ 0.0001921000000000, 0.0002793300000000, 0.0011632000000000 ] - [ 0.0000034300000000, -0.0000209600000000, 0.0002473500000000 ] - [ -0.0000872700000000, 0.0000845100000000, 0.0001140200000000 ] - [ 0.0001613200000000, -0.0000348200000000, -0.0002029400000000 ] - [ 0.0001201600000000, 0.0007681200000000, -0.0015683400000000 ] - [ -0.0001986700000000, -0.0051316900000000, -0.0005023800000000 ] - [ 0.0000151200000000, 0.0000049700000000, 0.0003095400000000 ] - [ -0.0001169800000000, 0.0002724400000000, -0.0001299800000000 ] - [ -0.0000121100000000, -0.0000273200000000, -0.0003684600000000 ] - [ 0.0000563700000000, 0.0000878700000000, 0.0000818500000000 ] - [ 0.0009457300000000, -0.0025968800000000, 0.0019691300000000 ] - [ 0.0000680200000000, -0.0006397600000000, 0.0004213900000000 ] - [ 0.0000015100000000, 0.0000063800000000, 0.0003305000000000 ] - [ 0.0006926100000000, -0.0026704500000000, -0.0029907700000000 ] - [ -0.0017373700000000, -0.0011208500000000, 0.0006511600000000 ] - [ -0.0000133600000000, 0.0002543400000000, -0.0000164300000000 ] - [ -0.0265199300000000, 0.0082632900000000, 0.0049769900000000 ] - [ -0.0001996600000000, -0.0001876600000000, -0.0000250700000000 ] - [ 0.0000707900000000, 0.0000664600000000, 0.0003637100000000 ] - [ 0.0090561700000000, -0.0001099900000000, -0.0036254800000000 ] - [ -0.0001119800000000, -0.0002371700000000, -0.0000311700000000 ] - [ 0.0062095100000000, 0.0010406400000000, 0.0023645500000000 ] - [ 0.0002187400000000, 0.0000131000000000, 0.0000179200000000 ] - [ 0.0000515100000000, 0.0000518100000000, 0.0003415700000000 ] - [ 0.0022566200000000, 0.0001422700000000, 0.0000633000000000 ] - [ 0.0004702800000000, 0.0001763300000000, 0.0004817800000000 ] - [ 0.0002818100000000, 0.0016276900000000, -0.0005376300000000 ] - [ -0.0000653900000000, 0.0000041300000000, 0.0003472000000000 ] - [ -0.0001049700000000, 0.0000048600000000, 0.0000864500000000 ] - [ 0.0041744200000000, 0.0033655400000000, 0.0061619900000000 ] - [ 0.0000145200000000, -0.0000718100000000, 0.0003490900000000 ] - [ 0.0000804100000000, -0.0000873000000000, 0.0000762600000000 ] - [ -0.0002516300000000, -0.0002273600000000, -0.0001020700000000 ] - [ 0.0005152400000000, 0.0011217800000000, -0.0000096600000000 ] - [ -0.0000702800000000, -0.0007313900000000, 0.0002878400000000 ] - [ -0.0056175500000000, -0.0000505800000000, 0.0005711300000000 ] - [ 0.0000649200000000, -0.0001183500000000, 0.0000623400000000 ] - [ 0.0026401000000000, 0.0048880000000000, -0.0055649200000000 ] - [ 0.0011133200000000, -0.0008593900000000, -0.0002227000000000 ] - [ -0.0000076700000000, -0.0001347700000000, 0.0003244900000000 ] - [ 0.0010487100000000, -0.0005599100000000, 0.0017739900000000 ] - [ -0.0117507300000000, 0.0026041400000000, 0.0060020100000000 ] - [ -0.0000852900000000, 0.0000087700000000, 0.0003616800000000 ] - [ 0.0009486000000000, 0.0003056200000000, 0.0000068700000000 ] - [ 0.0098599800000000, 0.0008254200000000, -0.0027248200000000 ] - [ 0.0003157100000000, 0.0000057600000000, -0.0001522600000000 ] - [ 0.0027806900000000, 0.0051632300000000, -0.0024010700000000 ] - [ -0.0001351000000000, -0.0000222500000000, 0.0000552900000000 ] - [ -0.0001065100000000, 0.0006730600000000, -0.0008989700000000 ] - [ 0.0002704800000000, 0.0001019200000000, 0.0004573700000000 ] - [ -0.0001806100000000, 0.0000691500000000, 0.0003570600000000 ] - [ -0.0061777800000000, -0.0036681100000000, -0.0025918300000000 ] - [ 0.0000134500000000, -0.0000604100000000, 0.0003616900000000 ] - [ 0.0000232500000000, -0.0001896000000000, -0.0004094000000000 ] - [ 0.0000005900000000, 0.0000094900000000, 0.0003575800000000 ] - [ 0.0000325100000000, 0.0001074100000000, 0.0000801500000000 ] - [ 0.0069058500000000, -0.0002346800000000, 0.0027446900000000 ] - [ 0.0029013100000000, -0.0005512300000000, 0.0006359700000000 ] - [ -0.0025290400000000, 0.0017048800000000, 0.0008952800000000 ] - [ 0.0002858800000000, 0.0000170100000000, -0.0000140300000000 ] - [ -0.0000361000000000, 0.0003519800000000, -0.0004374400000000 ] - [ -0.0387994200000000, 0.0308398700000000, -0.0139156000000000 ] - [ -0.0005072200000000, 0.0011643700000000, -0.0003393300000000 ] - [ -0.0000271400000000, -0.0001558700000000, 0.0000450200000000 ] - [ -0.0024336400000000, 0.0047803400000000, 0.0009973100000000 ] - [ -0.0194620500000000, 0.0045182900000000, -0.0038725600000000 ] - [ 0.0000599700000000, -0.0001408900000000, -0.0001326500000000 ] - [ -0.0001697600000000, 0.0002474500000000, -0.0000094500000000 ] - [ 0.0007648700000000, -0.0016736400000000, -0.0005956200000000 ] - [ -0.0000122600000000, 0.0000153600000000, 0.0000978000000000 ] - [ -0.0002238300000000, -0.0002861300000000, -0.0000899200000000 ] - [ 0.0000406200000000, -0.0000531700000000, -0.0004660400000000 ] - [ 0.0001369300000000, -0.0000572700000000, 0.0001964600000000 ] - [ 0.1468875000000000, -0.0567690200000000, 0.0103463400000000 ] - [ -0.0026772200000000, 0.0006587800000000, 0.0005208900000000 ] - [ 0.0000528400000000, -0.0000986100000000, 0.0000089100000000 ] - [ 0.0001016800000000, -0.0000585800000000, 0.0000722200000000 ] - [ -0.0020588600000000, 0.0000255400000000, -0.0019617700000000 ] - [ -0.0006037200000000, 0.0003406600000000, -0.0002524900000000 ] - [ -0.0001348200000000, -0.0004252000000000, -0.0000519900000000 ] - [ -0.0284056600000000, 0.0155874100000000, 0.0031100300000000 ] - [ 0.0001749600000000, -0.0001088300000000, 0.0000610100000000 ] - [ -0.0006879800000000, -0.0001117800000000, 0.0011038400000000 ] - [ -0.0000422200000000, 0.0001177000000000, 0.0001888100000000 ] - [ -0.0000443000000000, 0.0000580100000000, 0.0001537200000000 ] - [ -0.0000974100000000, -0.0000702700000000, 0.0001566200000000 ] - [ -0.0000730900000000, 0.0000030300000000, 0.0003088000000000 ] - [ 0.0002204100000000, -0.0020651700000000, -0.0000457500000000 ] - [ 0.0003508900000000, 0.0000076200000000, 0.0001438600000000 ] - [ 0.0000207300000000, 0.0000567700000000, -0.0004565000000000 ] - [ -0.0047743700000000, 0.0005506000000000, -0.0005484500000000 ] - [ -0.0000250100000000, -0.0005859700000000, 0.0004870500000000 ] - [ 0.0000016800000000, -0.0000390500000000, 0.0001628700000000 ] - [ 0.0000561000000000, 0.0000081100000000, 0.0001294200000000 ] - [ 0.0000131200000000, -0.0000093700000000, -0.0002104300000000 ] - [ -0.0000450700000000, 0.0000402200000000, 0.0001718900000000 ] - [ -0.0002500300000000, 0.0006837700000000, -0.0014620700000000 ] - [ -0.0011422000000000, 0.0010470200000000, -0.0010894900000000 ] - [ 0.0028638700000000, -0.0056728200000000, -0.0092529800000000 ] - [ 0.0013517900000000, 0.0003268700000000, 0.0005821200000000 ] - [ 0.0000110500000000, 0.0000311500000000, -0.0000709600000000 ] - [ -0.0026941400000000, -0.0002033300000000, -0.0026795700000000 ] - [ 0.0007864900000000, -0.0015651400000000, 0.0007013400000000 ] - [ 0.0021074300000000, 0.0082756300000000, -0.0123414000000000 ] - [ -0.0032147100000000, 0.0005874000000000, 0.0131732200000000 ] - [ 0.0010349000000000, -0.0021273500000000, 0.0015547500000000 ] - [ 0.0001438100000000, -0.0000218700000000, 0.0001107800000000 ] - [ 0.0000445000000000, 0.0000896200000000, 0.0000131500000000 ] - [ 0.0058219200000000, -0.0013646200000000, 0.0000457100000000 ] - [ 0.0001264500000000, -0.0000016200000000, -0.0000144900000000 ] - [ -0.0000949100000000, -0.0007823000000000, -0.0001039700000000 ] - [ 0.0021171000000000, 0.0025846900000000, -0.0042092800000000 ] - [ 0.0000221600000000, 0.0000923100000000, -0.0000784100000000 ] - [ -0.0010321000000000, -0.0015068900000000, -0.0014150200000000 ] - [ -0.0148623400000000, -0.0105340000000000, 0.0020994400000000 ] - [ -0.0003523700000000, -0.0002874700000000, -0.0003154200000000 ] - [ -0.0000889700000000, -0.0000372200000000, -0.0002336000000000 ] - [ 0.0005526100000000, 0.0017429600000000, 0.0006884800000000 ] - [ -0.0001859900000000, 0.0004574100000000, -0.0001103500000000 ] - [ -0.0001759700000000, 0.0003126600000000, 0.0001404400000000 ] - [ 0.0001082300000000, -0.0000557300000000, 0.0001474800000000 ] - [ -0.0001570300000000, -0.0002721600000000, 0.0001808100000000 ] - [ -0.0000330600000000, 0.0001105200000000, 0.0000976800000000 ] - [ 0.0000644500000000, -0.0001061300000000, 0.0001532400000000 ] - [ 0.0000508700000000, 0.0000128900000000, 0.0001899600000000 ] - [ 0.0035038500000000, -0.0041550600000000, -0.0055448900000000 ] - [ -0.0000331900000000, 0.0000037700000000, -0.0000672700000000 ] - [ 0.0004413300000000, 0.0002173800000000, -0.0002422600000000 ] - [ -0.0003265000000000, 0.0009546700000000, -0.0009694100000000 ] - [ -0.0021034600000000, 0.0003582300000000, 0.0022822400000000 ] - [ -0.0000084000000000, -0.0000226900000000, 0.0002326600000000 ] - [ -0.0000963700000000, -0.0000045000000000, 0.0000084500000000 ] - [ 0.0041524500000000, 0.0004818300000000, -0.0001743200000000 ] - [ -0.0000828700000000, -0.0001167500000000, -0.0000176500000000 ] - [ -0.0003785300000000, 0.0000663500000000, 0.0003577600000000 ] - [ -0.0000636100000000, -0.0000062500000000, -0.0004666000000000 ] - [ 0.0000960300000000, -0.0002849700000000, -0.0000069500000000 ] - [ -0.0000893600000000, 0.0006140900000000, 0.0001441300000000 ] - [ -0.0000208700000000, -0.0000500200000000, 0.0001605300000000 ] - [ -0.0123262600000000, -0.0102762600000000, -0.0013021200000000 ] - [ -0.0047885900000000, 0.0011950700000000, 0.0136088000000000 ] - [ -0.0001231900000000, 0.0000315500000000, 0.0001975900000000 ] - [ 0.0004292500000000, 0.0003874600000000, -0.0001648900000000 ] - [ 0.0012193000000000, -0.0007698100000000, -0.0000097100000000 ] - [ -0.0000038000000000, -0.0000083800000000, -0.0001450200000000 ] - [ -0.0143828900000000, 0.0089164200000000, -0.0020703100000000 ] - [ 0.0000457100000000, -0.0000915100000000, 0.0000139000000000 ] - [ -0.0001071900000000, -0.0001223100000000, 0.0001174800000000 ] - [ 0.0017598100000000, 0.0008876000000000, 0.0004132900000000 ] - [ -0.0009445900000000, -0.0011271200000000, -0.0007560600000000 ] - [ -0.0002684000000000, 0.0001534600000000, 0.0002105800000000 ] - [ -0.0012531900000000, 0.0005508300000000, -0.0004838500000000 ] - [ 0.0004939100000000, 0.0011028400000000, 0.0000876300000000 ] - [ 0.0018336400000000, 0.0017589600000000, 0.0017975100000000 ] - [ 0.0000232800000000, -0.0000219200000000, -0.0000684900000000 ] - [ -0.0008064600000000, -0.0000426900000000, -0.0002755500000000 ] - [ -0.0001150700000000, -0.0000007200000000, 0.0000124300000000 ] - [ -0.0007658500000000, -0.0000050800000000, -0.0001834200000000 ] - [ -0.0001303900000000, 0.0001181800000000, 0.0001392600000000 ] - [ 0.0000212800000000, -0.0001229100000000, -0.0012248800000000 ] - [ -0.0027106500000000, -0.0004683500000000, 0.0013982000000000 ] - [ -0.0054963100000000, -0.0012310400000000, -0.0002950000000000 ] - [ 0.0000980800000000, 0.0000670000000000, 0.0002281100000000 ] - [ 0.0003144100000000, 0.0001180800000000, -0.0001072900000000 ] - [ -0.0002991500000000, -0.0006154300000000, -0.0010126100000000 ] - [ -0.0000080700000000, 0.0001378900000000, -0.0000757400000000 ] - [ -0.0000122200000000, -0.0001375700000000, 0.0001688700000000 ] - [ 0.0000489600000000, -0.0001231600000000, 0.0001867800000000 ] - [ -0.0022922700000000, -0.0005601600000000, 0.0007937000000000 ] - [ 0.0000647400000000, 0.0000878200000000, 0.0000095900000000 ] - [ -0.0034308700000000, -0.0000985800000000, 0.0001516100000000 ] - [ -0.0001406700000000, -0.0000382200000000, -0.0000395800000000 ] - [ -0.0000456000000000, 0.0001150400000000, -0.0000074400000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000658800000000, 0.0001141200000000, -0.0025195900000000 ] - [ -0.0013286700000000, -0.0004296100000000, -0.0020425100000000 ] - [ -0.0000051500000000, 0.0000089200000000, -0.0011642500000000 ] - [ -0.0000348500000000, -0.0001871500000000, -0.0020045800000000 ] - [ 0.0001795000000000, -0.0000634000000000, -0.0020045800000000 ] - [ 0.0010363900000000, 0.0009358600000000, -0.0020425100000000 ] - [ -0.0002397300000000, 0.0004152300000000, 0.0036242500000000 ] - [ -0.0000200400000000, -0.0000287200000000, -0.0014986200000000 ] - [ -0.0000452000000000, 0.0002947000000000, -0.0016854200000000 ] - [ -0.0000057400000000, 0.0000099400000000, -0.0019712500000000 ] - [ 0.0001310400000000, 0.0002304900000000, -0.0013975900000000 ] - [ -0.0032440700000000, 0.0056188900000000, -0.0023681700000000 ] - [ -0.0001645100000000, 0.0002849300000000, -0.0006843600000000 ] - [ 0.0000029100000000, -0.0000025400000000, -0.0012652800000000 ] - [ 0.0031842100000000, -0.0042317100000000, -0.0020125400000000 ] - [ 0.0016923000000000, 0.0039394600000000, -0.0011382500000000 ] - [ -0.0002326200000000, 0.0001864900000000, -0.0016854200000000 ] - [ -0.0055602000000000, 0.0096305600000000, 0.0338250800000000 ] - [ -0.0001188700000000, -0.0003778300000000, -0.0017206200000000 ] - [ 0.0000538200000000, 0.0001265700000000, -0.0011682700000000 ] - [ 0.0044432400000000, -0.0007890000000000, 0.0077608700000000 ] - [ -0.0000699600000000, -0.0001164800000000, -0.0014603800000000 ] - [ -0.0006989500000000, -0.0003172900000000, 0.0045571700000000 ] - [ 0.0001664900000000, 0.0000269800000000, -0.0018186000000000 ] - [ 0.0000350600000000, 0.0000507100000000, -0.0012389900000000 ] - [ 0.0003670700000000, -0.0002467000000000, 0.0005671700000000 ] - [ -0.0013091300000000, -0.0002933500000000, -0.0021322200000000 ] - [ -0.0002758400000000, -0.0004657900000000, 0.0033459000000000 ] - [ -0.0000614400000000, -0.0000050100000000, -0.0012389900000000 ] - [ -0.0003076000000000, -0.0000005900000000, -0.0014099500000000 ] - [ -0.0073899900000000, -0.0019641700000000, 0.0049157700000000 ] - [ 0.0000881600000000, -0.0001527000000000, -0.0012027600000000 ] - [ 0.0001363100000000, -0.0002484400000000, -0.0013830600000000 ] - [ -0.0001066100000000, -0.0001307000000000, -0.0018186000000000 ] - [ 0.0000301100000000, -0.0004412400000000, 0.0005671700000000 ] - [ -0.0005290400000000, -0.0006298000000000, 0.0008192000000000 ] - [ -0.0008156800000000, 0.0014128100000000, -0.0072729500000000 ] - [ 0.0001470100000000, -0.0002422700000000, -0.0013830600000000 ] - [ 0.0053960100000000, 0.0054178300000000, 0.0049157700000000 ] - [ 0.0000857300000000, -0.0001751600000000, 0.0004177100000000 ] - [ -0.0001435500000000, 0.0002486300000000, -0.0022143400000000 ] - [ -0.0042578200000000, 0.0005041600000000, -0.0011382500000000 ] - [ -0.0050122700000000, -0.0026141100000000, 0.0205644500000000 ] - [ -0.0001365200000000, 0.0000166700000000, -0.0011682700000000 ] - [ 0.0001088300000000, -0.0001618200000000, 0.0004177100000000 ] - [ 0.0005413100000000, 0.0000059900000000, 0.0033459000000000 ] - [ 0.0003866400000000, -0.0000859700000000, -0.0017206200000000 ] - [ 0.0006242600000000, 0.0004466700000000, 0.0045571700000000 ] - [ -0.0002651300000000, 0.0000017600000000, -0.0013975900000000 ] - [ 0.0009086200000000, 0.0009870700000000, -0.0021322200000000 ] - [ -0.0001401600000000, -0.0000393700000000, -0.0009129200000000 ] - [ 0.0001041700000000, 0.0001017000000000, -0.0009129200000000 ] - [ 0.0026564100000000, -0.0046010400000000, -0.0047645500000000 ] - [ 0.0000237700000000, -0.0000411800000000, -0.0012837400000000 ] - [ 0.0001107600000000, 0.0001403500000000, -0.0013875500000000 ] - [ 0.0000007400000000, -0.0000037900000000, -0.0012652800000000 ] - [ 0.0001543100000000, 0.0002660900000000, -0.0014099500000000 ] - [ -0.0007185600000000, 0.0002642200000000, 0.0033338300000000 ] - [ -0.0011510700000000, -0.0000341600000000, 0.0000758400000000 ] - [ 0.0020726600000000, -0.0048734600000000, -0.0020125400000000 ] - [ 0.0001358500000000, 0.0000023500000000, -0.0014603800000000 ] - [ 0.0001304600000000, 0.0007544000000000, 0.0033338300000000 ] - [ 0.0135130500000000, -0.0234052800000000, 0.0317520700000000 ] - [ 0.0006051200000000, 0.0009797700000000, 0.0000758400000000 ] - [ 0.0001919100000000, -0.0003324000000000, -0.0019875100000000 ] - [ -0.0015383300000000, -0.0042424600000000, 0.0077608700000000 ] - [ 0.0047700200000000, 0.0030337000000000, 0.0205644500000000 ] - [ -0.0001769300000000, -0.0000257400000000, -0.0013875500000000 ] - [ -0.0000638900000000, 0.0001106500000000, -0.0015093800000000 ] - [ 0.0008099400000000, 0.0001432600000000, 0.0008192000000000 ] - [ 0.0000348900000000, 0.0000029900000000, -0.0014986200000000 ] - [ -0.0003418600000000, -0.0000721500000000, -0.0000140200000000 ] - [ 0.0000217800000000, -0.0000377200000000, 0.0007780200000000 ] - [ -0.0001445000000000, -0.0002870000000000, 0.0013384400000000 ] - [ -0.0113895700000000, 0.0197273100000000, -0.1559358800000000 ] - [ -0.0010062400000000, 0.0002989400000000, -0.0025111400000000 ] - [ 0.0000304400000000, -0.0000578900000000, 0.0010748700000000 ] - [ -0.0001516700000000, 0.0002627000000000, 0.0015182400000000 ] - [ 0.0017076100000000, -0.0003110700000000, -0.0014928100000000 ] - [ 0.0002938100000000, 0.0001614000000000, 0.0005144800000000 ] - [ -0.0002866800000000, -0.0001737500000000, 0.0005144800000000 ] - [ 0.0000415700000000, -0.0000515300000000, -0.0078194700000000 ] - [ 0.0003208000000000, -0.0000183600000000, 0.0013384400000000 ] - [ -0.0017222400000000, -0.0000357400000000, 0.0014745900000000 ] - [ 0.0001232400000000, 0.0001212300000000, 0.0012676800000000 ] - [ 0.0001097800000000, 0.0001379300000000, 0.0011584400000000 ] - [ -0.0001626600000000, 0.0000547200000000, 0.0012582900000000 ] - [ -0.0001396300000000, -0.0002057800000000, 0.0011746200000000 ] - [ 0.0000733700000000, -0.0001440600000000, -0.0028743000000000 ] - [ 0.0004599900000000, 0.0000039900000000, 0.0012166000000000 ] - [ 0.0000269700000000, 0.0000390300000000, 0.0007575400000000 ] - [ -0.0005242300000000, -0.0003536800000000, -0.0025609100000000 ] - [ -0.0000511900000000, 0.0011090000000000, -0.0012269100000000 ] - [ 0.0000985400000000, -0.0001748100000000, 0.0011986000000000 ] - [ 0.0001021200000000, -0.0001727400000000, 0.0011986000000000 ] - [ 0.0000332300000000, 0.0000125900000000, 0.0010820900000000 ] - [ -0.0001743400000000, -0.0000261100000000, 0.0011584400000000 ] - [ 0.0004372300000000, -0.0007573000000000, 0.0034576000000000 ] - [ 0.0006887800000000, -0.0005307400000000, -0.0014780400000000 ] - [ 0.0060002700000000, 0.0118767500000000, 0.0143041200000000 ] - [ -0.0001407700000000, 0.0002438300000000, 0.0028626200000000 ] - [ -0.0000212800000000, -0.0000423300000000, 0.0010607700000000 ] - [ 0.0026221800000000, 0.0008235500000000, -0.0016987200000000 ] - [ -0.0005844100000000, -0.0016343700000000, -0.0014928100000000 ] - [ 0.0128067800000000, -0.0221820000000000, 0.0240175900000000 ] - [ -0.0132857000000000, 0.0007419800000000, 0.0143041200000000 ] - [ -0.0020243000000000, -0.0018591000000000, -0.0016987200000000 ] - [ 0.0001844300000000, -0.0000039300000000, 0.0011864900000000 ] - [ 0.0000301400000000, 0.0000504700000000, 0.0010693400000000 ] - [ 0.0000238400000000, -0.0000617600000000, -0.0078194700000000 ] - [ 0.0001451600000000, -0.0000108900000000, 0.0008689400000000 ] - [ 0.0002442400000000, 0.0010209000000000, -0.0025111400000000 ] - [ 0.0037618200000000, -0.0065156700000000, 0.0071524700000000 ] - [ 0.0001043800000000, 0.0001959500000000, 0.0011320500000000 ] - [ 0.0007518700000000, 0.0002221600000000, -0.0019485200000000 ] - [ -0.0002321800000000, 0.0002072300000000, -0.0068169900000000 ] - [ 0.0001067100000000, -0.0003914300000000, 0.0006439400000000 ] - [ 0.0002020600000000, 0.0000875900000000, 0.0016484700000000 ] - [ -0.0011288400000000, 0.0019552100000000, -0.0002500200000000 ] - [ -0.0003049300000000, 0.0005281500000000, 0.0005884800000000 ] - [ -0.0002077600000000, 0.0003598600000000, 0.0012618200000000 ] - [ 0.0000697100000000, -0.0001323600000000, 0.0013085900000000 ] - [ -0.0002334500000000, -0.0003963700000000, 0.0012166000000000 ] - [ -0.0001088100000000, 0.0001884600000000, 0.0012669600000000 ] - [ -0.0001768800000000, -0.0001312000000000, 0.0016484700000000 ] - [ 0.0000495000000000, 0.0001835000000000, 0.0011789800000000 ] - [ 0.0052013400000000, 0.0122606500000000, 0.0105379400000000 ] - [ 0.0000472900000000, -0.0000027400000000, 0.0010607700000000 ] - [ 0.0002856400000000, -0.0002881300000000, 0.0006439400000000 ] - [ 0.0006456300000000, -0.0011182700000000, 0.0015270000000000 ] - [ -0.0009348300000000, 0.0005988300000000, -0.0012269100000000 ] - [ 0.0002480200000000, 0.0000180400000000, 0.0011746200000000 ] - [ -0.0000621000000000, 0.0000040900000000, 0.0010909400000000 ] - [ -0.0004796900000000, -0.0012787500000000, -0.0058690500000000 ] - [ -0.0000631500000000, -0.0001311600000000, 0.0008689400000000 ] - [ -0.0004082400000000, -0.0002429100000000, 0.0006033300000000 ] - [ -0.0000472900000000, -0.0000038400000000, 0.0007575400000000 ] - [ 0.0002223500000000, -0.0002731400000000, -0.0001696400000000 ] - [ 0.0001152400000000, -0.0008618700000000, -0.0014780400000000 ] - [ -0.0001836700000000, 0.0000488800000000, 0.0011789800000000 ] - [ -0.0000633700000000, 0.0003046900000000, -0.0068169900000000 ] - [ -0.0132187000000000, 0.0016258300000000, 0.0105379400000000 ] - [ -0.0001666100000000, -0.0000461200000000, 0.0012676800000000 ] - [ 0.0003913800000000, 0.0005122300000000, 0.0001546600000000 ] - [ -0.0005469400000000, -0.0012442500000000, 0.0018607500000000 ] - [ -0.0000275200000000, -0.0000224800000000, 0.0010820900000000 ] - [ 0.0013472700000000, -0.0002239500000000, -0.0058690500000000 ] - [ 0.0000349100000000, -0.0000553100000000, 0.0010748700000000 ] - [ -0.0000888100000000, -0.0001616900000000, 0.0011864900000000 ] - [ -0.0008056400000000, 0.0013954100000000, 0.0020154900000000 ] - [ 0.0010492700000000, 0.0005940400000000, -0.0016570000000000 ] - [ -0.0006392900000000, -0.0000828300000000, 0.0001546600000000 ] - [ 0.0018537600000000, -0.0012192500000000, -0.0001377500000000 ] - [ 0.0001290200000000, -0.0022150200000000, -0.0001377500000000 ] - [ -0.0016083800000000, 0.0027858000000000, -0.0013001000000000 ] - [ -0.0000280500000000, 0.0000485900000000, 0.0010722800000000 ] - [ 0.0001253700000000, -0.0003291300000000, -0.0001696400000000 ] - [ -0.0000587800000000, -0.0000008700000000, 0.0010693400000000 ] - [ 0.0002334100000000, 0.0002599800000000, -0.0000140200000000 ] - [ 0.0001153200000000, 0.0001260200000000, 0.0011009600000000 ] - [ 0.0013510200000000, -0.0001484600000000, 0.0018607500000000 ] - [ -0.0005683300000000, -0.0005400600000000, -0.0019485200000000 ] - [ 0.0000880700000000, -0.0001355700000000, -0.0028743000000000 ] - [ 0.0000339400000000, 0.0001682300000000, 0.0012582900000000 ] - [ 0.0004144900000000, 0.0002320900000000, 0.0006033300000000 ] - [ 0.0008920800000000, 0.0014736300000000, 0.0014745900000000 ] - [ 0.0000543100000000, -0.0000940700000000, 0.0014538400000000 ] - [ -0.0002218900000000, 0.0000075800000000, 0.0011320500000000 ] - [ 0.0000797700000000, -0.0001265500000000, 0.0013085900000000 ] - [ -0.0010390900000000, -0.0006116800000000, -0.0016570000000000 ] - [ 0.0000275100000000, 0.0000558300000000, 0.0010909400000000 ] - [ 0.0005684100000000, 0.0002771600000000, -0.0025609100000000 ] - [ -0.0001667900000000, -0.0000368600000000, 0.0011009600000000 ] - [ -0.0000809900000000, 0.0001402700000000, 0.0009114400000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001243900000000, -0.0002154500000000, 0.0025234600000000 ] - [ 0.0013229400000000, 0.0004287800000000, 0.0020437700000000 ] - [ 0.0000050600000000, -0.0000087600000000, 0.0015685300000000 ] - [ -0.0000827700000000, 0.0001885100000000, 0.0020047600000000 ] - [ -0.0001218700000000, 0.0001659400000000, 0.0020047600000000 ] - [ -0.0010328000000000, -0.0009313100000000, 0.0020437700000000 ] - [ 0.0002423900000000, -0.0004198400000000, -0.0040381600000000 ] - [ 0.0000193000000000, 0.0000254100000000, 0.0018373800000000 ] - [ -0.0002748800000000, 0.0001215800000000, 0.0014887100000000 ] - [ 0.0000067300000000, -0.0000116500000000, 0.0011275100000000 ] - [ 0.0000161800000000, -0.0000313800000000, 0.0014795000000000 ] - [ 0.0032220700000000, -0.0055807900000000, 0.0028048800000000 ] - [ 0.0001668200000000, -0.0002889400000000, 0.0015256600000000 ] - [ -0.0000046000000000, 0.0000046400000000, 0.0018921000000000 ] - [ -0.0034454500000000, 0.0042302900000000, 0.0019304500000000 ] - [ -0.0016075500000000, -0.0037453600000000, 0.0010573300000000 ] - [ 0.0000321500000000, 0.0002988400000000, 0.0014887100000000 ] - [ 0.0063714900000000, -0.0110357400000000, -0.0353184400000000 ] - [ -0.0002010900000000, -0.0000397700000000, 0.0015246800000000 ] - [ 0.0000275200000000, 0.0000088400000000, 0.0018223500000000 ] - [ -0.0039283700000000, 0.0008616400000000, -0.0075117600000000 ] - [ -0.0002086100000000, -0.0003668300000000, 0.0013621600000000 ] - [ 0.0005122500000000, 0.0008004400000000, -0.0043253700000000 ] - [ 0.0003541100000000, -0.0000966500000000, 0.0016219300000000 ] - [ 0.0000318700000000, 0.0000659000000000, 0.0018661700000000 ] - [ -0.0006490000000000, -0.0002361400000000, -0.0004793300000000 ] - [ 0.0013168400000000, 0.0002919400000000, 0.0017989100000000 ] - [ 0.0000976700000000, 0.0004453900000000, -0.0040311100000000 ] - [ -0.0000730100000000, 0.0000053500000000, 0.0018661700000000 ] - [ 0.0000670600000000, 0.0000268900000000, 0.0014920300000000 ] - [ 0.0074278300000000, 0.0019811000000000, -0.0055963700000000 ] - [ -0.0000085800000000, 0.0000148600000000, 0.0018575300000000 ] - [ 0.0000061600000000, 0.0000499900000000, 0.0014644200000000 ] - [ -0.0000933500000000, -0.0003549900000000, 0.0016219300000000 ] - [ 0.0005290100000000, 0.0004439800000000, -0.0004793300000000 ] - [ 0.0005696600000000, 0.0006306900000000, -0.0003837200000000 ] - [ 0.0005357500000000, -0.0009279500000000, 0.0074116700000000 ] - [ -0.0000463700000000, 0.0000196600000000, 0.0014644200000000 ] - [ -0.0054296000000000, -0.0054421400000000, -0.0055963700000000 ] - [ 0.0000158500000000, -0.0000468700000000, -0.0005091300000000 ] - [ 0.0001205300000000, -0.0002087600000000, 0.0017862000000000 ] - [ 0.0040473500000000, -0.0004805000000000, 0.0010573300000000 ] - [ 0.0063872300000000, 0.0025273700000000, -0.0197780400000000 ] - [ -0.0000214100000000, -0.0000194100000000, 0.0018223500000000 ] - [ 0.0000326700000000, -0.0000371600000000, -0.0005091300000000 ] - [ -0.0004345500000000, 0.0001381100000000, -0.0040311100000000 ] - [ 0.0001349900000000, 0.0001542700000000, 0.0015246800000000 ] - [ -0.0009493300000000, -0.0000434100000000, -0.0043253700000000 ] - [ 0.0000190800000000, -0.0000297000000000, 0.0014795000000000 ] - [ -0.0009112500000000, -0.0009944400000000, 0.0017989100000000 ] - [ 0.0002343800000000, 0.0002040700000000, 0.0014822800000000 ] - [ -0.0002939200000000, -0.0001009400000000, 0.0014822800000000 ] - [ -0.0025555800000000, 0.0044263900000000, 0.0041995300000000 ] - [ 0.0000436200000000, -0.0000755400000000, 0.0019107800000000 ] - [ -0.0001347200000000, -0.0001749400000000, 0.0009634800000000 ] - [ -0.0000017200000000, 0.0000063100000000, 0.0018921000000000 ] - [ -0.0000568200000000, -0.0000446300000000, 0.0014920300000000 ] - [ 0.0007747700000000, -0.0001529800000000, -0.0039989500000000 ] - [ 0.0012404700000000, 0.0001956300000000, -0.0006306800000000 ] - [ -0.0019408100000000, 0.0050989900000000, 0.0019304500000000 ] - [ 0.0004219900000000, -0.0000027600000000, 0.0013621600000000 ] - [ -0.0002549000000000, -0.0007474600000000, -0.0039989500000000 ] - [ -0.0136777200000000, 0.0236905100000000, -0.0322862300000000 ] - [ -0.0007896500000000, -0.0009764600000000, -0.0006306800000000 ] - [ -0.0000958200000000, 0.0001659600000000, 0.0025528900000000 ] - [ 0.0012179800000000, 0.0038328900000000, -0.0075117600000000 ] - [ -0.0053823800000000, -0.0042678200000000, -0.0197780400000000 ] - [ 0.0002188700000000, 0.0000292000000000, 0.0009634800000000 ] - [ -0.0002154700000000, 0.0003732000000000, 0.0014104100000000 ] - [ -0.0008310300000000, -0.0001780000000000, -0.0003837200000000 ] - [ -0.0000316500000000, -0.0000040100000000, 0.0018373800000000 ] - [ 0.0001268500000000, 0.0001822700000000, -0.0003952900000000 ] - [ 0.0000411500000000, -0.0000712700000000, -0.0016493600000000 ] - [ 0.0003029300000000, 0.0001107100000000, -0.0012094900000000 ] - [ 0.0101940200000000, -0.0176565500000000, 0.1550371500000000 ] - [ 0.0009828800000000, -0.0003286900000000, 0.0019589200000000 ] - [ 0.0000719600000000, -0.0001289100000000, -0.0010087000000000 ] - [ 0.0001334000000000, -0.0002310600000000, -0.0009782400000000 ] - [ -0.0016070800000000, 0.0001309100000000, 0.0014412300000000 ] - [ -0.0000715100000000, 0.0002199600000000, -0.0005196900000000 ] - [ -0.0001547400000000, 0.0001719100000000, -0.0005196900000000 ] - [ -0.0000588000000000, 0.0001066200000000, 0.0074683300000000 ] - [ -0.0002473500000000, -0.0002069900000000, -0.0012094900000000 ] - [ 0.0019358900000000, 0.0001707500000000, -0.0018986500000000 ] - [ -0.0001088900000000, 0.0001202700000000, -0.0008532500000000 ] - [ -0.0001654600000000, -0.0000358200000000, -0.0007879800000000 ] - [ -0.0000535600000000, -0.0001601800000000, -0.0008424000000000 ] - [ 0.0001225000000000, 0.0001774200000000, -0.0006372200000000 ] - [ 0.0002233900000000, 0.0001448900000000, 0.0026108200000000 ] - [ 0.0002353300000000, -0.0000015100000000, -0.0008522600000000 ] - [ 0.0000357400000000, 0.0000686300000000, -0.0016287700000000 ] - [ 0.0004615700000000, 0.0004574200000000, 0.0021950300000000 ] - [ -0.0000707500000000, -0.0011165400000000, 0.0021169900000000 ] - [ -0.0001505700000000, 0.0000733600000000, -0.0008288400000000 ] - [ 0.0000117600000000, 0.0001670800000000, -0.0008288400000000 ] - [ -0.0000330900000000, -0.0000118200000000, -0.0014031100000000 ] - [ 0.0001137500000000, 0.0001253800000000, -0.0007879800000000 ] - [ -0.0007612900000000, 0.0013186000000000, -0.0034478900000000 ] - [ -0.0006638900000000, 0.0005861600000000, 0.0015806000000000 ] - [ -0.0063214900000000, -0.0120769100000000, -0.0146169800000000 ] - [ 0.0003641500000000, -0.0006307300000000, -0.0028590900000000 ] - [ 0.0000509200000000, 0.0000938600000000, -0.0011461300000000 ] - [ -0.0024562000000000, -0.0006416700000000, 0.0015531800000000 ] - [ 0.0006901700000000, 0.0014572300000000, 0.0014412300000000 ] - [ -0.0126154700000000, 0.0218506400000000, -0.0241653300000000 ] - [ 0.0136196600000000, -0.0005638900000000, -0.0146169800000000 ] - [ 0.0017838000000000, 0.0018062900000000, 0.0015531800000000 ] - [ 0.0001111600000000, 0.0000041800000000, -0.0009223700000000 ] - [ 0.0000710100000000, 0.0001338500000000, -0.0010024000000000 ] - [ -0.0000629400000000, 0.0001042300000000, 0.0074683300000000 ] - [ 0.0001158300000000, 0.0000104100000000, -0.0008554400000000 ] - [ -0.0002067900000000, -0.0010155500000000, 0.0019589200000000 ] - [ -0.0037534400000000, 0.0065011500000000, -0.0063841700000000 ] - [ 0.0000548700000000, -0.0000193200000000, -0.0010036500000000 ] - [ -0.0009819100000000, -0.0001747800000000, 0.0018027600000000 ] - [ 0.0003105000000000, -0.0001643400000000, 0.0071351600000000 ] - [ -0.0005054500000000, -0.0003099000000000, -0.0009617700000000 ] - [ -0.0002031100000000, -0.0000888000000000, -0.0016499900000000 ] - [ 0.0007232500000000, -0.0012527100000000, 0.0005606700000000 ] - [ -0.0000982900000000, 0.0001702500000000, -0.0009059200000000 ] - [ -0.0001407800000000, 0.0002438400000000, -0.0008958200000000 ] - [ 0.0001331700000000, 0.0000011600000000, -0.0008949600000000 ] - [ -0.0001163500000000, -0.0002045500000000, -0.0008522600000000 ] - [ -0.0000392400000000, 0.0000679700000000, -0.0010018700000000 ] - [ 0.0001784500000000, 0.0001315000000000, -0.0016499900000000 ] - [ 0.0000647200000000, -0.0001778500000000, -0.0008102700000000 ] - [ -0.0050408900000000, -0.0123114100000000, -0.0105159700000000 ] - [ -0.0001067400000000, 0.0000028300000000, -0.0011461300000000 ] - [ 0.0005211000000000, 0.0002827800000000, -0.0009617700000000 ] - [ -0.0010001900000000, 0.0017323800000000, -0.0019027700000000 ] - [ 0.0010023300000000, -0.0004970000000000, 0.0021169900000000 ] - [ -0.0002149000000000, -0.0000173800000000, -0.0006372200000000 ] - [ -0.0001495800000000, -0.0000102600000000, -0.0010240200000000 ] - [ 0.0004136400000000, 0.0011262400000000, 0.0055262200000000 ] - [ -0.0000669300000000, -0.0000951100000000, -0.0008554400000000 ] - [ 0.0000835400000000, -0.0003142400000000, -0.0006073100000000 ] - [ -0.0000773100000000, 0.0000033700000000, -0.0016287700000000 ] - [ 0.0000365400000000, 0.0002743100000000, 0.0001627500000000 ] - [ -0.0001756800000000, 0.0008680200000000, 0.0015806000000000 ] - [ 0.0001216700000000, -0.0001449800000000, -0.0008102700000000 ] - [ -0.0000129200000000, -0.0003510700000000, 0.0071351600000000 ] - [ 0.0131824400000000, -0.0017901600000000, -0.0105159700000000 ] - [ -0.0000497100000000, 0.0001544400000000, -0.0008532500000000 ] - [ 0.0003036000000000, -0.0005121800000000, -0.0005162200000000 ] - [ 0.0005631300000000, 0.0010089900000000, -0.0022822400000000 ] - [ 0.0000267800000000, 0.0000227500000000, -0.0014031100000000 ] - [ -0.0011821700000000, 0.0002049000000000, 0.0055262200000000 ] - [ 0.0000756600000000, -0.0001267700000000, -0.0010087000000000 ] - [ -0.0000592000000000, -0.0000941700000000, -0.0009223700000000 ] - [ 0.0006819500000000, -0.0011811700000000, -0.0020362400000000 ] - [ -0.0009560000000000, -0.0004122100000000, 0.0016044300000000 ] - [ 0.0002917600000000, -0.0005190200000000, -0.0005162200000000 ] - [ -0.0022393400000000, 0.0005145400000000, 0.0004511900000000 ] - [ 0.0006740600000000, 0.0021965900000000, 0.0004511900000000 ] - [ 0.0016467800000000, -0.0028523100000000, 0.0014054000000000 ] - [ 0.0000570400000000, -0.0000987900000000, -0.0011572700000000 ] - [ -0.0002558300000000, 0.0001055100000000, 0.0001627500000000 ] - [ -0.0001514200000000, 0.0000054300000000, -0.0010024000000000 ] - [ -0.0002212800000000, -0.0000187200000000, -0.0003952900000000 ] - [ -0.0000426800000000, 0.0000991100000000, -0.0009718500000000 ] - [ -0.0011553700000000, 0.0000168100000000, -0.0022822400000000 ] - [ 0.0006423200000000, 0.0007629700000000, 0.0018027600000000 ] - [ -0.0002371700000000, -0.0001210100000000, 0.0026108200000000 ] - [ 0.0001655000000000, -0.0000337100000000, -0.0008424000000000 ] - [ 0.0002303700000000, -0.0002294700000000, -0.0006073100000000 ] - [ -0.0011158200000000, -0.0015911500000000, -0.0018986500000000 ] - [ -0.0000541100000000, 0.0000937100000000, -0.0014540700000000 ] - [ -0.0000107000000000, -0.0000571800000000, -0.0010036500000000 ] - [ -0.0000675900000000, -0.0001147500000000, -0.0008949600000000 ] - [ 0.0008349800000000, 0.0006218100000000, 0.0016044300000000 ] - [ 0.0000836700000000, 0.0001244100000000, -0.0010240200000000 ] - [ -0.0006269200000000, -0.0001710300000000, 0.0021950300000000 ] - [ -0.0000644900000000, 0.0000865100000000, -0.0009718500000000 ] - [ -0.0000486100000000, 0.0000841900000000, -0.0008980100000000 ]- atom: 76 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000208800000000, -0.0000525600000000, -0.0001628100000000 ] - [ -0.0026463500000000, 0.0001499300000000, 0.0042411400000000 ] - [ -0.0000048100000000, -0.0000606900000000, -0.0000153900000000 ] - [ -0.0000459700000000, 0.0000200800000000, -0.0003053600000000 ] - [ 0.0000412300000000, 0.0000349100000000, -0.0003005600000000 ] - [ 0.0005831100000000, 0.0022589900000000, -0.0019455200000000 ] - [ 0.0010058500000000, -0.0024861200000000, 0.0014613400000000 ] - [ 0.0000013900000000, 0.0000069400000000, -0.0000161600000000 ] - [ -0.0001649500000000, 0.0001781100000000, -0.0002873100000000 ] - [ 0.0000038900000000, -0.0000093300000000, -0.0006074000000000 ] - [ 0.0000805900000000, 0.0001199000000000, -0.0001316800000000 ] - [ -0.0004519200000000, -0.0011944600000000, 0.0006184600000000 ] - [ 0.0000630400000000, -0.0001419900000000, 0.0002840700000000 ] - [ 0.0000019000000000, 0.0000162600000000, 0.0001163200000000 ] - [ -0.0004861500000000, -0.0001432600000000, -0.0004230600000000 ] - [ -0.0004992400000000, -0.0003889400000000, 0.0001287500000000 ] - [ 0.0003293800000000, 0.0003088600000000, -0.0001707300000000 ] - [ -0.0012174900000000, 0.0005622300000000, -0.0003481500000000 ] - [ -0.0003629900000000, -0.0001255100000000, -0.0001806800000000 ] - [ 0.0000846700000000, 0.0000650800000000, 0.0002051600000000 ] - [ 0.0390191800000000, -0.0217711300000000, -0.0123332700000000 ] - [ -0.0001196600000000, -0.0002246700000000, -0.0002196200000000 ] - [ 0.0664755700000000, -0.0052214400000000, 0.0268614000000000 ] - [ 0.0000045000000000, -0.0000562600000000, -0.0001144900000000 ] - [ 0.0000848500000000, 0.0000625800000000, 0.0000906900000000 ] - [ 0.0005568800000000, -0.0004475200000000, -0.0006134600000000 ] - [ 0.0000603000000000, 0.0001443500000000, -0.0002964000000000 ] - [ -0.0011414500000000, 0.0034176000000000, -0.0015461400000000 ] - [ -0.0000864200000000, -0.0000101600000000, 0.0001324700000000 ] - [ -0.0001318700000000, 0.0000097500000000, -0.0001342500000000 ] - [ 0.0006709700000000, 0.0009903700000000, 0.0008246500000000 ] - [ -0.0000277600000000, -0.0000719500000000, 0.0001099100000000 ] - [ 0.0000876200000000, -0.0001154800000000, -0.0001345700000000 ] - [ -0.0002038700000000, -0.0000800400000000, -0.0003617600000000 ] - [ -0.0000661400000000, 0.0001704400000000, -0.0003615000000000 ] - [ -0.0035540600000000, -0.0061073300000000, 0.0003348600000000 ] - [ -0.0006811000000000, 0.0006626500000000, 0.0002935900000000 ] - [ 0.0000631000000000, -0.0001355900000000, -0.0001304700000000 ] - [ -0.0012750300000000, -0.0001022500000000, -0.0023194500000000 ] - [ 0.0001853000000000, -0.0004902100000000, -0.0002831900000000 ] - [ -0.0000943200000000, -0.0003913300000000, 0.0000444000000000 ] - [ 0.0004593600000000, -0.0000076500000000, 0.0006561100000000 ] - [ -0.0074270600000000, -0.0005918100000000, -0.0028249600000000 ] - [ -0.0000561700000000, 0.0000102200000000, 0.0001736600000000 ] - [ 0.0007710300000000, 0.0000550200000000, -0.0007720100000000 ] - [ -0.0008909500000000, -0.0031402500000000, -0.0016983600000000 ] - [ 0.0003953800000000, 0.0002567600000000, -0.0004680000000000 ] - [ 0.0001714500000000, 0.0018331900000000, 0.0006542000000000 ] - [ -0.0001457400000000, -0.0000158400000000, -0.0001250200000000 ] - [ -0.0002360900000000, -0.0000117500000000, -0.0004842000000000 ] - [ 0.0001804900000000, -0.0002979000000000, 0.0012569200000000 ] - [ 0.0004983500000000, -0.0000027700000000, 0.0009071100000000 ] - [ -0.0102711000000000, 0.0003876900000000, -0.0033862900000000 ] - [ -0.0000034800000000, -0.0000609700000000, 0.0001424300000000 ] - [ -0.0003831900000000, -0.0003327900000000, -0.0020035800000000 ] - [ 0.0000031000000000, 0.0000073800000000, 0.0001793700000000 ] - [ 0.0000471200000000, 0.0001231600000000, -0.0001263200000000 ] - [ 0.0077593200000000, -0.0000002000000000, -0.0011181600000000 ] - [ 0.0032820400000000, -0.0090937800000000, 0.0032423900000000 ] - [ 0.0001808300000000, 0.0005898700000000, -0.0002488300000000 ] - [ 0.0002622900000000, 0.0000038700000000, -0.0002168900000000 ] - [ -0.0010032800000000, -0.0005179300000000, -0.0004921000000000 ] - [ -0.0053529000000000, -0.0005517400000000, 0.0017637700000000 ] - [ 0.0020662700000000, 0.0073979300000000, 0.0031997700000000 ] - [ -0.0003325200000000, -0.0000736500000000, -0.0011239900000000 ] - [ -0.0074254700000000, 0.0001002600000000, -0.0022607800000000 ] - [ -0.0031098300000000, 0.0057602600000000, 0.0037350000000000 ] - [ -0.0000162900000000, -0.0004889100000000, -0.0009866100000000 ] - [ -0.0001455700000000, 0.0002333700000000, -0.0002129500000000 ] - [ 0.0454361600000000, 0.0419718100000000, 0.0378644100000000 ] - [ -0.0000059600000000, -0.0000030600000000, -0.0000376400000000 ] - [ 0.0000011600000000, 0.0000411300000000, 0.0001558800000000 ] - [ 0.0000418400000000, -0.0000534800000000, -0.0002817200000000 ] - [ 0.0000569900000000, -0.0003032800000000, 0.0005541800000000 ] - [ 0.0025923000000000, -0.0005708400000000, -0.0011331800000000 ] - [ -0.1948753100000000, -0.0139727600000000, -0.0688895700000000 ] - [ 0.0000588100000000, -0.0000949600000000, 0.0001463100000000 ] - [ 0.0001289100000000, 0.0000517000000000, 0.0003038200000000 ] - [ -0.0016897400000000, -0.0006643300000000, -0.0004598300000000 ] - [ -0.0009372500000000, 0.0014726000000000, -0.0021600200000000 ] - [ -0.0005581400000000, -0.0011810500000000, -0.0016637700000000 ] - [ 0.0015599600000000, 0.0012991700000000, 0.0010524900000000 ] - [ 0.0005881500000000, -0.0001037600000000, 0.0001777100000000 ] - [ 0.0002253800000000, 0.0000949700000000, 0.0001401900000000 ] - [ 0.0000134000000000, 0.0001181700000000, 0.0003367600000000 ] - [ -0.0000915300000000, 0.0000874300000000, 0.0003009800000000 ] - [ -0.0001105000000000, -0.0000497200000000, 0.0003361700000000 ] - [ -0.0002805300000000, -0.0003571600000000, 0.0009570400000000 ] - [ 0.0014467900000000, -0.0014588300000000, 0.0006295900000000 ] - [ 0.0003549300000000, 0.0000051600000000, 0.0003128900000000 ] - [ 0.0000225100000000, 0.0000514000000000, -0.0002986000000000 ] - [ -0.0002973100000000, 0.0008477900000000, -0.0003936300000000 ] - [ 0.0000822600000000, -0.0006847700000000, 0.0015893900000000 ] - [ -0.0000101600000000, -0.0000460600000000, 0.0003030800000000 ] - [ 0.0000917500000000, 0.0000232800000000, 0.0002299400000000 ] - [ 0.0000547600000000, -0.0000218600000000, -0.0001306000000000 ] - [ -0.0000541000000000, 0.0000553500000000, 0.0002914400000000 ] - [ 0.0001111200000000, 0.0004758000000000, -0.0003989800000000 ] - [ -0.0015625500000000, 0.0006468800000000, -0.0002981900000000 ] - [ 0.0001452900000000, -0.0004295900000000, -0.0003434500000000 ] - [ 0.0019201800000000, -0.0004158100000000, 0.0021672800000000 ] - [ -0.0000027600000000, 0.0000220500000000, 0.0001001900000000 ] - [ 0.0182020600000000, 0.0124823900000000, 0.0004306400000000 ] - [ 0.0007333400000000, -0.0002572300000000, 0.0003451600000000 ] - [ 0.0043600700000000, -0.0001575200000000, -0.0001564000000000 ] - [ 0.0007981700000000, 0.0002502700000000, 0.0003003200000000 ] - [ -0.0003334000000000, -0.0033986500000000, -0.0001190800000000 ] - [ 0.0001878000000000, -0.0000304600000000, 0.0002332800000000 ] - [ 0.0000470600000000, 0.0000814400000000, 0.0001545700000000 ] - [ 0.0000976700000000, -0.0013535000000000, -0.0003855600000000 ] - [ 0.0001359800000000, 0.0000002600000000, 0.0001097200000000 ] - [ 0.0035020000000000, -0.0003349300000000, -0.0012404800000000 ] - [ 0.0009933800000000, 0.0001172300000000, -0.0012408100000000 ] - [ 0.0000278300000000, 0.0001111200000000, -0.0003554300000000 ] - [ 0.0150695800000000, -0.0101627300000000, 0.0002105900000000 ] - [ -0.0011548200000000, -0.0022794300000000, -0.0016155500000000 ] - [ -0.0001818200000000, 0.0001328200000000, -0.0002245400000000 ] - [ -0.0000157500000000, -0.0000360400000000, 0.0001727000000000 ] - [ 0.0134087200000000, 0.0106241500000000, 0.0051160200000000 ] - [ -0.0000895300000000, 0.0005221100000000, 0.0003053100000000 ] - [ -0.0001816600000000, 0.0003218800000000, 0.0003014200000000 ] - [ 0.0000940100000000, -0.0000814600000000, 0.0003249400000000 ] - [ -0.0001773800000000, -0.0003057900000000, 0.0003087600000000 ] - [ -0.0000084200000000, 0.0001290000000000, 0.0002639000000000 ] - [ 0.0000506200000000, 0.0000007600000000, 0.0002132000000000 ] - [ 0.0000609100000000, 0.0000233800000000, 0.0004032500000000 ] - [ 0.0055837200000000, -0.0000571500000000, -0.0012085900000000 ] - [ -0.0000108400000000, 0.0000048000000000, 0.0000910600000000 ] - [ 0.0000695700000000, 0.0007629100000000, 0.0002012400000000 ] - [ -0.0002807400000000, 0.0004481400000000, -0.0002797000000000 ] - [ 0.0001202300000000, 0.0005886900000000, 0.0014347400000000 ] - [ 0.0002123900000000, -0.0000026300000000, 0.0005381300000000 ] - [ -0.0000972300000000, -0.0000050000000000, 0.0001575200000000 ] - [ 0.0021469300000000, 0.0007772700000000, -0.0004673800000000 ] - [ -0.0000749200000000, -0.0001160800000000, 0.0001129100000000 ] - [ -0.0053072200000000, 0.0023106900000000, 0.0052425800000000 ] - [ -0.0000644200000000, 0.0000004000000000, -0.0002917200000000 ] - [ 0.0002460500000000, -0.0000214200000000, 0.0000743400000000 ] - [ 0.0001974900000000, 0.0003154100000000, -0.0000724600000000 ] - [ -0.0000026400000000, -0.0000490900000000, 0.0003098100000000 ] - [ 0.0030471800000000, 0.0000818100000000, 0.0028488300000000 ] - [ 0.0153453300000000, -0.0127628500000000, -0.0020485600000000 ] - [ -0.0001134100000000, 0.0000468600000000, 0.0003377200000000 ] - [ 0.0001862400000000, 0.0000630300000000, -0.0000182700000000 ] - [ 0.0003308500000000, -0.0001109700000000, -0.0003018800000000 ] - [ -0.0000384400000000, -0.0000659400000000, -0.0000065100000000 ] - [ 0.0060784000000000, -0.0007176200000000, -0.0164241100000000 ] - [ 0.0000391900000000, -0.0000934900000000, 0.0001660000000000 ] - [ -0.0001833700000000, -0.0002016500000000, 0.0002743700000000 ] - [ 0.0000631000000000, 0.0001130400000000, 0.0000420200000000 ] - [ 0.0000400900000000, -0.0002224100000000, 0.0000235800000000 ] - [ -0.0001243700000000, -0.0001276300000000, 0.0000431800000000 ] - [ -0.0004290300000000, 0.0029569300000000, -0.0002480800000000 ] - [ -0.0043468200000000, -0.0010499800000000, -0.0005177500000000 ] - [ 0.0000760300000000, 0.0002007100000000, 0.0001436000000000 ] - [ 0.0000126600000000, -0.0000047700000000, 0.0000854600000000 ] - [ -0.0003580900000000, -0.0001202300000000, 0.0001108400000000 ] - [ -0.0001132700000000, -0.0000006300000000, 0.0001508000000000 ] - [ -0.0001533000000000, 0.0000479300000000, -0.0000707800000000 ] - [ -0.0002659500000000, 0.0001243000000000, 0.0000069700000000 ] - [ -0.0000217900000000, -0.0001971600000000, -0.0003090600000000 ] - [ -0.0049186000000000, -0.0001848800000000, -0.0002329500000000 ] - [ -0.0021911500000000, 0.0081329500000000, 0.0125939100000000 ] - [ 0.0000936100000000, 0.0000781300000000, 0.0003383100000000 ] - [ 0.0014026800000000, 0.0013092100000000, 0.0010520200000000 ] - [ -0.0000610100000000, -0.0002668400000000, 0.0000191900000000 ] - [ -0.0000176500000000, 0.0000335800000000, 0.0001737100000000 ] - [ -0.0000791700000000, -0.0002455400000000, 0.0000696900000000 ] - [ 0.0000338500000000, -0.0001202800000000, 0.0003286700000000 ] - [ -0.0003245600000000, 0.0000503900000000, 0.0015000500000000 ] - [ 0.0000644300000000, 0.0000875400000000, 0.0001424200000000 ] - [ -0.0009760300000000, -0.0060074800000000, 0.0093132200000000 ] - [ -0.0002970900000000, -0.0000707200000000, -0.0002196400000000 ] - [ -0.0000621900000000, 0.0001134300000000, 0.0001085600000000 ]- atom: 76 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000378400000000, -0.0000474300000000, 0.0001616600000000 ] - [ 0.0026513200000000, -0.0001485300000000, -0.0042738500000000 ] - [ 0.0000056400000000, 0.0000614900000000, 0.0004187600000000 ] - [ -0.0000697000000000, -0.0000192400000000, 0.0003038600000000 ] - [ 0.0000182600000000, 0.0000679100000000, 0.0002990100000000 ] - [ -0.0005696400000000, -0.0022594500000000, 0.0019429800000000 ] - [ -0.0009945700000000, 0.0024914300000000, -0.0018617000000000 ] - [ -0.0000079400000000, -0.0000087100000000, 0.0003523200000000 ] - [ -0.0001557800000000, 0.0002366900000000, 0.0000872900000000 ] - [ -0.0000052900000000, 0.0000064600000000, -0.0002382500000000 ] - [ 0.0000677900000000, 0.0000764500000000, 0.0002121700000000 ] - [ 0.0004557400000000, 0.0012704600000000, -0.0001975000000000 ] - [ -0.0000642800000000, 0.0001390600000000, 0.0005594000000000 ] - [ 0.0000002800000000, -0.0000111600000000, 0.0005083700000000 ] - [ 0.0002343300000000, 0.0001182800000000, 0.0003433000000000 ] - [ 0.0005958600000000, 0.0006151000000000, -0.0002090500000000 ] - [ -0.0005358100000000, 0.0001763900000000, -0.0000267200000000 ] - [ 0.0012865500000000, -0.0006730100000000, -0.0002719100000000 ] - [ 0.0000428300000000, -0.0002928600000000, -0.0000188600000000 ] - [ -0.0000058600000000, 0.0000709500000000, 0.0004458800000000 ] - [ -0.0382135500000000, 0.0207127600000000, 0.0117737700000000 ] - [ -0.0001584900000000, -0.0002572900000000, 0.0001204500000000 ] - [ -0.0711094500000000, 0.0061001000000000, -0.0296199600000000 ] - [ 0.0005155500000000, -0.0000122100000000, -0.0000863100000000 ] - [ -0.0000176500000000, 0.0000534900000000, 0.0005350900000000 ] - [ -0.0008345500000000, -0.0000360700000000, 0.0007058300000000 ] - [ -0.0000663300000000, -0.0001464100000000, -0.0000419100000000 ] - [ 0.0009667200000000, -0.0034020500000000, 0.0008989100000000 ] - [ -0.0000480000000000, 0.0000110200000000, 0.0004922500000000 ] - [ -0.0001059800000000, 0.0000129100000000, 0.0002137600000000 ] - [ -0.0006648800000000, -0.0009890400000000, -0.0014493400000000 ] - [ 0.0001036600000000, -0.0000687900000000, 0.0005427000000000 ] - [ 0.0000512000000000, -0.0000793700000000, 0.0002140600000000 ] - [ 0.0000025100000000, -0.0004054500000000, 0.0001638000000000 ] - [ 0.0006216800000000, -0.0001715100000000, 0.0004613000000000 ] - [ 0.0035899200000000, 0.0060880300000000, 0.0000884200000000 ] - [ 0.0004028800000000, -0.0001792900000000, -0.0001920600000000 ] - [ 0.0000390600000000, -0.0000924900000000, 0.0002098800000000 ] - [ 0.0012652300000000, 0.0001045400000000, 0.0017048700000000 ] - [ -0.0000819500000000, 0.0002598900000000, 0.0002020700000000 ] - [ 0.0000797200000000, 0.0004387800000000, -0.0004732600000000 ] - [ -0.0006942500000000, 0.0000304000000000, -0.0007376600000000 ] - [ 0.0079635300000000, 0.0005260800000000, 0.0030561400000000 ] - [ -0.0001035600000000, -0.0000154300000000, 0.0004792400000000 ] - [ -0.0006313200000000, -0.0002485800000000, 0.0006868500000000 ] - [ 0.0009450300000000, 0.0032463000000000, 0.0010450800000000 ] - [ 0.0001278600000000, -0.0001922700000000, 0.0002714100000000 ] - [ -0.0004726800000000, -0.0014477600000000, -0.0004629300000000 ] - [ -0.0001025700000000, -0.0000097700000000, 0.0002044700000000 ] - [ 0.0002366600000000, 0.0000049400000000, 0.0001459000000000 ] - [ -0.0000861600000000, 0.0004607200000000, -0.0006897600000000 ] - [ -0.0006964000000000, 0.0000044300000000, -0.0003440800000000 ] - [ 0.0103218200000000, -0.0005422700000000, 0.0027970700000000 ] - [ 0.0000718000000000, -0.0000549500000000, 0.0004824800000000 ] - [ 0.0003667100000000, 0.0003039600000000, 0.0016014600000000 ] - [ 0.0000004400000000, -0.0000029900000000, 0.0004447900000000 ] - [ 0.0000490200000000, 0.0001032800000000, 0.0002068300000000 ] - [ -0.0076754800000000, 0.0001237900000000, 0.0004506700000000 ] - [ -0.0032586500000000, 0.0092806300000000, -0.0038157800000000 ] - [ -0.0000306900000000, -0.0003911800000000, 0.0001669300000000 ] - [ 0.0002962800000000, -0.0000045000000000, 0.0001157800000000 ] - [ 0.0008716000000000, 0.0005122000000000, -0.0001293200000000 ] - [ 0.0054419100000000, 0.0004096400000000, -0.0024060900000000 ] - [ -0.0022973300000000, -0.0074366500000000, -0.0037823100000000 ] - [ 0.0004365300000000, -0.0000953400000000, 0.0016811700000000 ] - [ 0.0071247400000000, -0.0005243500000000, 0.0024873700000000 ] - [ 0.0029103900000000, -0.0062253300000000, -0.0035116400000000 ] - [ 0.0000670000000000, 0.0004984200000000, 0.0005511400000000 ] - [ -0.0001339200000000, 0.0002499500000000, 0.0001119100000000 ] - [ -0.0457397800000000, -0.0411105800000000, -0.0367223800000000 ] - [ 0.0000079100000000, -0.0000037700000000, 0.0003737000000000 ] - [ -0.0002150200000000, 0.0000708400000000, -0.0005666500000000 ] - [ 0.0000205100000000, -0.0000559200000000, -0.0005874300000000 ] - [ 0.0000991000000000, 0.0001290500000000, -0.0004222300000000 ] - [ -0.0027405700000000, 0.0008255900000000, 0.0008556000000000 ] - [ 0.1993402000000000, 0.0138134200000000, 0.0715589700000000 ] - [ 0.0000426100000000, -0.0000931200000000, -0.0000785200000000 ] - [ -0.0001458100000000, -0.0000208000000000, 0.0002363300000000 ] - [ 0.0017945500000000, 0.0004844600000000, 0.0003948100000000 ] - [ 0.0011683500000000, -0.0010961300000000, 0.0021601100000000 ] - [ 0.0001191000000000, 0.0011845700000000, 0.0016736300000000 ] - [ -0.0014361300000000, -0.0013074100000000, -0.0014367900000000 ] - [ -0.0005145900000000, -0.0001223200000000, -0.0000446100000000 ] - [ -0.0000245000000000, 0.0000430100000000, -0.0005570900000000 ] - [ 0.0000064500000000, 0.0001221200000000, 0.0000812900000000 ] - [ 0.0000369900000000, 0.0000143600000000, 0.0000687600000000 ] - [ -0.0001041400000000, -0.0000572600000000, 0.0000806500000000 ] - [ 0.0002686800000000, 0.0003350000000000, -0.0004288400000000 ] - [ -0.0011481300000000, 0.0014653000000000, -0.0009088100000000 ] - [ 0.0003421100000000, 0.0000000500000000, 0.0000545600000000 ] - [ 0.0000394900000000, 0.0000556100000000, -0.0005701400000000 ] - [ 0.0002368800000000, -0.0007378900000000, 0.0000261500000000 ] - [ -0.0002079400000000, 0.0006771400000000, -0.0007147500000000 ] - [ -0.0000377900000000, -0.0000552000000000, 0.0000660000000000 ] - [ 0.0000238600000000, -0.0000263400000000, 0.0001426400000000 ] - [ -0.0000526300000000, 0.0000226500000000, -0.0001885400000000 ] - [ -0.0000060500000000, 0.0000434400000000, 0.0000811600000000 ] - [ -0.0004365400000000, 0.0000817100000000, 0.0003997000000000 ] - [ 0.0015894900000000, -0.0005940700000000, 0.0003852200000000 ] - [ -0.0003597300000000, 0.0004235900000000, 0.0002741200000000 ] - [ -0.0017003300000000, 0.0000253100000000, -0.0021491400000000 ] - [ 0.0000334100000000, 0.0000307600000000, -0.0001847000000000 ] - [ -0.0183089300000000, -0.0125118400000000, -0.0005617600000000 ] - [ -0.0006289500000000, 0.0000716300000000, -0.0004167400000000 ] - [ -0.0043819400000000, 0.0001641000000000, -0.0003849900000000 ] - [ -0.0006871600000000, -0.0000734800000000, -0.0003741000000000 ] - [ 0.0000988100000000, 0.0033518800000000, -0.0000104600000000 ] - [ 0.0001085400000000, 0.0000312600000000, 0.0000328300000000 ] - [ 0.0000526200000000, 0.0001024300000000, -0.0000851200000000 ] - [ -0.0001456900000000, 0.0012442400000000, 0.0000126400000000 ] - [ 0.0001236100000000, -0.0000011700000000, -0.0000955300000000 ] - [ -0.0034728500000000, 0.0003634000000000, 0.0006954500000000 ] - [ -0.0009330900000000, -0.0002284400000000, 0.0021075000000000 ] - [ 0.0001328800000000, 0.0000648900000000, 0.0004873100000000 ] - [ -0.0155097300000000, 0.0103658500000000, -0.0003479500000000 ] - [ 0.0011404200000000, 0.0022825600000000, 0.0019304900000000 ] - [ -0.0002240300000000, -0.0008329400000000, -0.0000928900000000 ] - [ 0.0000151900000000, 0.0000351700000000, -0.0001718400000000 ] - [ -0.0136723900000000, -0.0097878500000000, -0.0047317100000000 ] - [ -0.0003325900000000, 0.0001707300000000, -0.0006261500000000 ] - [ -0.0001621300000000, 0.0002843400000000, 0.0000661700000000 ] - [ 0.0001116800000000, -0.0000483700000000, 0.0000890800000000 ] - [ -0.0001694000000000, -0.0002950700000000, 0.0000550200000000 ] - [ -0.0001390800000000, 0.0001272700000000, 0.0000021000000000 ] - [ -0.0000506100000000, -0.0000017100000000, -0.0002123500000000 ] - [ 0.0000548100000000, -0.0000200300000000, -0.0000335900000000 ] - [ -0.0055125000000000, -0.0001663700000000, 0.0010757700000000 ] - [ -0.0000465500000000, -0.0000045000000000, -0.0001745400000000 ] - [ 0.0007408800000000, -0.0007795800000000, -0.0005230400000000 ] - [ -0.0000639200000000, 0.0001583800000000, -0.0000875800000000 ] - [ -0.0000568600000000, -0.0004797000000000, -0.0005608200000000 ] - [ -0.0001758700000000, 0.0000041300000000, 0.0000039400000000 ] - [ -0.0001164200000000, -0.0000014900000000, -0.0000898900000000 ] - [ -0.0022140200000000, -0.0008659800000000, 0.0000900900000000 ] - [ -0.0000562100000000, -0.0001113600000000, -0.0000987700000000 ] - [ 0.0049369500000000, -0.0029021900000000, -0.0053410200000000 ] - [ -0.0000613000000000, -0.0000011600000000, -0.0005776500000000 ] - [ 0.0000123200000000, 0.0000204600000000, -0.0000883000000000 ] - [ -0.0002554000000000, -0.0003121000000000, 0.0001556400000000 ] - [ -0.0000608900000000, -0.0000430200000000, 0.0000598300000000 ] - [ -0.0030455200000000, -0.0000821300000000, -0.0025587200000000 ] - [ -0.0150057800000000, 0.0124100600000000, 0.0019036400000000 ] - [ -0.0001015500000000, 0.0000663000000000, 0.0000763600000000 ] - [ 0.0005106400000000, -0.0000583600000000, -0.0003484100000000 ] - [ -0.0003157100000000, -0.0001292800000000, -0.0001144700000000 ] - [ 0.0000384500000000, 0.0000677200000000, -0.0003133400000000 ] - [ -0.0059759400000000, 0.0007151500000000, 0.0159311200000000 ] - [ 0.0000695400000000, -0.0000872700000000, -0.0000985800000000 ] - [ 0.0000368800000000, -0.0000525900000000, -0.0000103600000000 ] - [ -0.0001933700000000, 0.0001093400000000, -0.0000564700000000 ] - [ 0.0000588500000000, 0.0004077800000000, -0.0000939800000000 ] - [ -0.0002219400000000, -0.0004725400000000, -0.0004077800000000 ] - [ 0.0000304700000000, -0.0036570900000000, 0.0005690800000000 ] - [ 0.0051692600000000, 0.0009828000000000, 0.0008150800000000 ] - [ -0.0000462300000000, -0.0002511100000000, -0.0000615600000000 ] - [ 0.0000164000000000, -0.0000450000000000, -0.0001689800000000 ] - [ 0.0002271900000000, -0.0001060100000000, -0.0001212100000000 ] - [ -0.0000970400000000, 0.0000042700000000, -0.0000831800000000 ] - [ 0.0001727200000000, 0.0001941700000000, -0.0003461700000000 ] - [ 0.0003399800000000, 0.0001028700000000, 0.0001242500000000 ] - [ 0.0002257300000000, 0.0000668600000000, -0.0001026600000000 ] - [ 0.0049957000000000, 0.0005261600000000, 0.0001084500000000 ] - [ 0.0021416100000000, -0.0083454700000000, -0.0128265800000000 ] - [ 0.0001047900000000, 0.0000591300000000, 0.0000797000000000 ] - [ -0.0007465400000000, -0.0012976300000000, -0.0010395700000000 ] - [ -0.0001542000000000, 0.0001587200000000, -0.0004339400000000 ] - [ 0.0000167000000000, -0.0000353000000000, -0.0001726300000000 ] - [ -0.0001530100000000, 0.0001968200000000, 0.0000600100000000 ] - [ -0.0000188100000000, -0.0001192600000000, 0.0000881400000000 ] - [ 0.0001187700000000, -0.0000457500000000, -0.0015591100000000 ] - [ 0.0000450800000000, 0.0000902300000000, -0.0000727700000000 ] - [ 0.0009920600000000, 0.0060777500000000, -0.0096619000000000 ] - [ 0.0000696200000000, 0.0001211400000000, 0.0003524900000000 ] - [ -0.0000682000000000, 0.0001107600000000, -0.0000943700000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000716000000000, -0.0000456600000000, -0.0020620500000000 ] - [ 0.0026032900000000, 0.0002629900000000, 0.0007221400000000 ] - [ -0.0000873500000000, -0.0001513000000000, -0.0012475800000000 ] - [ -0.0000753400000000, 0.0000391800000000, -0.0020620500000000 ] - [ 0.0000073100000000, 0.0000126600000000, -0.0020843100000000 ] - [ -0.0010738800000000, 0.0023860100000000, 0.0007221400000000 ] - [ 0.0014372100000000, 0.0024893300000000, 0.0014023500000000 ] - [ -0.0000013300000000, 0.0000003400000000, -0.0013908400000000 ] - [ -0.0001147700000000, 0.0003107700000000, -0.0013531800000000 ] - [ -0.0000022600000000, -0.0000039200000000, -0.0019619800000000 ] - [ 0.0001366900000000, 0.0002318500000000, -0.0013252100000000 ] - [ -0.0008817200000000, -0.0028619500000000, 0.0023933600000000 ] - [ 0.0000715400000000, 0.0001239100000000, -0.0010677500000000 ] - [ -0.0000120800000000, 0.0000492400000000, -0.0011374200000000 ] - [ -0.0007601100000000, -0.0001105300000000, -0.0010915800000000 ] - [ 0.0002883400000000, 0.0004886200000000, -0.0010283700000000 ] - [ 0.0008596900000000, 0.0003157500000000, -0.0020170700000000 ] - [ -0.0002493700000000, 0.0000187100000000, 0.0002738600000000 ] - [ -0.0000120100000000, -0.0002554300000000, -0.0013991000000000 ] - [ 0.0001360200000000, 0.0002355900000000, -0.0010333400000000 ] - [ -0.0141250400000000, 0.0266958700000000, 0.0407581200000000 ] - [ -0.0000641400000000, -0.0001110900000000, -0.0014234200000000 ] - [ 0.0301818300000000, 0.0011152900000000, 0.0407581200000000 ] - [ 0.0003265200000000, 0.0000559900000000, -0.0013531800000000 ] - [ 0.0000455600000000, 0.0000789200000000, -0.0013673400000000 ] - [ -0.0004175900000000, -0.0007232900000000, -0.0023575000000000 ] - [ 0.0001199400000000, -0.0001798100000000, -0.0017164600000000 ] - [ -0.0028409600000000, 0.0047403000000000, 0.0006285900000000 ] - [ -0.0000855500000000, -0.0000293600000000, -0.0011069200000000 ] - [ -0.0002850000000000, -0.0000019500000000, -0.0013562000000000 ] - [ 0.0011154700000000, -0.0019808700000000, -0.0005623300000000 ] - [ -0.0001012700000000, -0.0000681400000000, -0.0010996600000000 ] - [ 0.0001408100000000, -0.0002477900000000, -0.0013562000000000 ] - [ -0.0002152000000000, -0.0001381100000000, -0.0013991000000000 ] - [ -0.0001819500000000, 0.0000827500000000, -0.0009377600000000 ] - [ -0.0020376700000000, -0.0021945700000000, 0.0023933600000000 ] - [ 0.0001626400000000, -0.0001162000000000, -0.0009377600000000 ] - [ 0.0001378200000000, -0.0002402100000000, -0.0013200700000000 ] - [ -0.0022732200000000, -0.0000244100000000, -0.0005623300000000 ] - [ 0.0002843300000000, -0.0007135400000000, -0.0010915800000000 ] - [ -0.0002167900000000, -0.0014643400000000, -0.0003075400000000 ] - [ 0.0005569300000000, 0.0002155200000000, -0.0022152200000000 ] - [ -0.0006532000000000, -0.0001737300000000, 0.0047852600000000 ] - [ -0.0000083700000000, -0.0001217700000000, -0.0010996600000000 ] - [ -0.0000918200000000, 0.0005900700000000, -0.0022152200000000 ] - [ -0.0038449300000000, -0.0066596100000000, -0.0004176400000000 ] - [ -0.0001563900000000, 0.0009023900000000, -0.0020170700000000 ] - [ 0.0001761500000000, -0.0006525500000000, 0.0047852600000000 ] - [ -0.0002769400000000, -0.0000007500000000, -0.0013200700000000 ] - [ -0.0002156900000000, 0.0000139600000000, -0.0017164600000000 ] - [ 0.0002413600000000, 0.0004180500000000, -0.0007321800000000 ] - [ 0.0015104100000000, -0.0007796700000000, -0.0004591100000000 ] - [ -0.0035824000000000, 0.0019332600000000, 0.0029946800000000 ] - [ 0.0000173500000000, -0.0000887700000000, -0.0011069200000000 ] - [ -0.0009050400000000, -0.0015675800000000, -0.0074577400000000 ] - [ 0.0000486900000000, 0.0000141600000000, -0.0011374200000000 ] - [ 0.0001324500000000, 0.0002343100000000, -0.0013252100000000 ] - [ 0.0010974100000000, 0.0019007800000000, -0.0089566900000000 ] - [ 0.0017391300000000, 0.0030122700000000, 0.0048442200000000 ] - [ 0.0002789900000000, 0.0004940200000000, -0.0010283700000000 ] - [ 0.0001563600000000, -0.0000049200000000, -0.0013935000000000 ] - [ 0.0001408900000000, -0.0002066100000000, 0.0002738600000000 ] - [ 0.0055257100000000, -0.0000902000000000, 0.0006285900000000 ] - [ 0.0034654500000000, -0.0021358100000000, 0.0029946800000000 ] - [ -0.0014304200000000, 0.0009182100000000, -0.0004591100000000 ] - [ 0.0000579100000000, 0.0002446300000000, 0.0052546000000000 ] - [ 0.0001829000000000, 0.0001724700000000, 0.0052546000000000 ] - [ -0.0011597600000000, -0.0009199200000000, -0.0003075400000000 ] - [ -0.0000824400000000, 0.0001329600000000, -0.0013935000000000 ] - [ 0.0376381100000000, 0.0651911200000000, 0.0722735400000000 ] - [ 0.0000009600000000, -0.0000009800000000, -0.0013908400000000 ] - [ 0.0001885600000000, -0.0000390200000000, 0.0008932300000000 ] - [ 0.0000562900000000, -0.0000424100000000, 0.0007189000000000 ] - [ 0.0003892700000000, -0.0007095500000000, 0.0008475000000000 ] - [ -0.0008567000000000, 0.0007704200000000, -0.0023603700000000 ] - [ -0.0707204400000000, -0.1224914000000000, -0.2006831100000000 ] - [ 0.0000365500000000, -0.0000540800000000, 0.0010042500000000 ] - [ -0.0000419400000000, 0.0003448400000000, 0.0008382700000000 ] - [ -0.0006785100000000, 0.0005183100000000, 0.0023303000000000 ] - [ -0.0009612500000000, -0.0016649300000000, -0.0000253000000000 ] - [ -0.0012806800000000, 0.0007565100000000, -0.0008807200000000 ] - [ 0.0018808700000000, 0.0004137700000000, -0.0017589500000000 ] - [ 0.0003448300000000, -0.0002347200000000, 0.0006622200000000 ] - [ 0.0004164200000000, 0.0000991800000000, 0.0009198700000000 ] - [ 0.0001000400000000, 0.0001156100000000, 0.0012233800000000 ] - [ -0.0000535700000000, 0.0002715100000000, 0.0013211800000000 ] - [ -0.0001574100000000, 0.0000299600000000, 0.0012199000000000 ] - [ -0.0007030600000000, -0.0012177300000000, 0.0033732500000000 ] - [ 0.0010955600000000, -0.0003567200000000, -0.0023603700000000 ] - [ 0.0004559600000000, 0.0000076800000000, 0.0011951300000000 ] - [ 0.0000092400000000, 0.0000160100000000, 0.0007023200000000 ] - [ -0.0005821000000000, 0.0018357700000000, -0.0017589500000000 ] - [ 0.0004761400000000, -0.0012621600000000, 0.0021497600000000 ] - [ 0.0000554100000000, -0.0000317700000000, 0.0010747200000000 ] - [ 0.0000401100000000, -0.0001404900000000, 0.0010250300000000 ] - [ -0.0000751000000000, -0.0000325100000000, 0.0008905100000000 ] - [ -0.0001417300000000, -0.0000355100000000, 0.0010250300000000 ] - [ -0.0000717700000000, 0.0010532500000000, -0.0008334700000000 ] - [ -0.0003389900000000, -0.0005871500000000, 0.0019970400000000 ] - [ -0.0004410500000000, 0.0002179500000000, 0.0000536300000000 ] - [ 0.0012954900000000, -0.0007308500000000, -0.0008807200000000 ] - [ -0.0000229600000000, -0.0000397600000000, 0.0010580100000000 ] - [ -0.0005551200000000, 0.0002987500000000, -0.0066034800000000 ] - [ 0.0004092800000000, -0.0002729900000000, 0.0000536300000000 ] - [ 0.0001049800000000, 0.0010699700000000, -0.0027154400000000 ] - [ 0.0003582500000000, 0.0002375500000000, 0.0000349300000000 ] - [ -0.0009436900000000, 0.0006554200000000, -0.0028193700000000 ] - [ 0.0001453900000000, 0.0000450000000000, 0.0010377700000000 ] - [ 0.0000328800000000, 0.0000533300000000, 0.0009953200000000 ] - [ 0.0000856900000000, -0.0013199000000000, -0.0018344800000000 ] - [ 0.0001492400000000, 0.0000010800000000, 0.0008347700000000 ] - [ 0.0008741400000000, 0.0006259000000000, -0.0027154400000000 ] - [ -0.0013311400000000, -0.0002187300000000, 0.0021497600000000 ] - [ -0.0003224900000000, 0.0000510800000000, 0.0007275700000000 ] - [ -0.0036676800000000, 0.0002102100000000, -0.0062210800000000 ] - [ -0.0014406700000000, 0.0019916900000000, -0.0024731000000000 ] - [ -0.0000571000000000, -0.0000989000000000, 0.0001204300000000 ] - [ -0.0000192400000000, 0.0000218400000000, 0.0015201900000000 ] - [ 0.0060779300000000, 0.0033551800000000, -0.0026369200000000 ] - [ 0.0022876500000000, 0.0008683200000000, 0.0016170300000000 ] - [ -0.0002213300000000, 0.0003987100000000, 0.0011951300000000 ] - [ 0.0000598700000000, -0.0001489200000000, 0.0012215100000000 ] - [ -0.0002264800000000, -0.0003922700000000, 0.0011918700000000 ] - [ -0.0000337300000000, 0.0001484100000000, 0.0010377700000000 ] - [ 0.0000285400000000, -0.0000057400000000, 0.0015201900000000 ] - [ 0.0002619200000000, 0.0000893600000000, 0.0013211800000000 ] - [ 0.0010394500000000, -0.0004895500000000, -0.0028193700000000 ] - [ 0.0000719200000000, 0.0000067400000000, 0.0010073000000000 ] - [ -0.0003918400000000, 0.0024153200000000, 0.0016170300000000 ] - [ -0.0003339800000000, 0.0000717300000000, 0.0008626600000000 ] - [ 0.0007928300000000, 0.0013732200000000, 0.0023836400000000 ] - [ 0.0003196100000000, 0.0001361000000000, 0.0008382700000000 ] - [ -0.0000651100000000, 0.0000046100000000, 0.0010042500000000 ] - [ -0.0011859200000000, -0.0005857400000000, -0.0018344800000000 ] - [ -0.0000762600000000, -0.0001320900000000, 0.0008615900000000 ] - [ 0.0056033800000000, 0.0097053500000000, 0.0247242400000000 ] - [ -0.0000648700000000, 0.0000275400000000, 0.0007189000000000 ] - [ 0.0001374600000000, 0.0000044600000000, 0.0005081100000000 ] - [ -0.0001456300000000, 0.0000267700000000, 0.0002331400000000 ] - [ -0.0000552200000000, 0.0000321000000000, 0.0010747200000000 ] - [ 0.0024451900000000, -0.0002518100000000, -0.0024731000000000 ] - [ 0.0020158800000000, -0.0030712000000000, -0.0062210800000000 ] - [ -0.0001589000000000, -0.0000226100000000, 0.0012215100000000 ] - [ 0.0002291100000000, -0.0002533700000000, 0.0008626600000000 ] - [ -0.0002261400000000, -0.0001198800000000, 0.0007457800000000 ] - [ 0.0000093900000000, -0.0000812900000000, 0.0008905100000000 ] - [ -0.0153244800000000, 0.0005529000000000, 0.0121542500000000 ] - [ 0.0000350100000000, -0.0000851600000000, 0.0010553900000000 ] - [ -0.0002715300000000, -0.0004703000000000, 0.0013811300000000 ] - [ -0.0000648700000000, 0.0001212800000000, 0.0005081100000000 ] - [ 0.0000266000000000, 0.0004290200000000, 0.0000349300000000 ] - [ -0.0000181100000000, -0.0000313700000000, 0.0008248800000000 ] - [ 0.0003803000000000, 0.0006587000000000, -0.0013878800000000 ] - [ -0.0001333000000000, 0.0069412300000000, -0.0026369200000000 ] - [ 0.0000959900000000, -0.0001127300000000, 0.0002331400000000 ] - [ -0.0000301200000000, 0.0000656600000000, 0.0010073000000000 ] - [ -0.0000818200000000, -0.0001417300000000, 0.0011851800000000 ] - [ -0.0000912600000000, -0.0000122600000000, 0.0010553900000000 ] - [ -0.0001223200000000, 0.0004102300000000, 0.0009198700000000 ] - [ 0.0002054800000000, -0.0002537400000000, 0.0007275700000000 ] - [ -0.0001280700000000, 0.0001437900000000, 0.0008932300000000 ] - [ 0.0005362800000000, -0.0003313800000000, -0.0066034800000000 ] - [ 0.0118788600000000, 0.0205747900000000, 0.0237560000000000 ] - [ 0.0000501100000000, 0.0001444400000000, 0.0012233800000000 ] - [ 0.0009480200000000, 0.0004644700000000, -0.0008334700000000 ] - [ 0.0000092500000000, -0.0002557800000000, 0.0007457800000000 ] - [ -0.0000078200000000, -0.0000135400000000, 0.0014898300000000 ] - [ -0.0003756900000000, 0.0001812800000000, 0.0006622200000000 ] - [ 0.0001046500000000, -0.0001213400000000, 0.0012199000000000 ] - [ 0.0007881200000000, -0.0003284500000000, 0.0023303000000000 ] - [ 0.0000297400000000, 0.0000551400000000, 0.0009953200000000 ] - [ 0.0081410700000000, -0.0129949400000000, 0.0121542500000000 ] - [ -0.0008091300000000, -0.0000176600000000, 0.0008475000000000 ] - [ -0.0000736900000000, 0.0001297800000000, 0.0008347700000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000132600000000, -0.0000544600000000, 0.0020609200000000 ] - [ -0.0025875100000000, -0.0002616900000000, -0.0007030700000000 ] - [ 0.0000868000000000, 0.0001503500000000, 0.0016494200000000 ] - [ -0.0000405400000000, -0.0000387100000000, 0.0020609200000000 ] - [ 0.0000521400000000, 0.0000903000000000, 0.0020836300000000 ] - [ 0.0010671200000000, -0.0023717000000000, -0.0007030700000000 ] - [ -0.0014369500000000, -0.0024888600000000, -0.0018218000000000 ] - [ -0.0000054500000000, -0.0000021600000000, 0.0017268100000000 ] - [ -0.0002060100000000, 0.0001051100000000, 0.0011574600000000 ] - [ 0.0000005500000000, 0.0000009500000000, 0.0011162400000000 ] - [ 0.0000113200000000, -0.0000358600000000, 0.0014057900000000 ] - [ 0.0008709900000000, 0.0029093300000000, -0.0019541000000000 ] - [ -0.0000733300000000, -0.0001270000000000, 0.0019113200000000 ] - [ 0.0000139500000000, -0.0000436800000000, 0.0017631800000000 ] - [ 0.0005171200000000, 0.0000851000000000, 0.0010108900000000 ] - [ -0.0001941900000000, -0.0002642800000000, 0.0009451100000000 ] - [ -0.0010538400000000, 0.0001705200000000, 0.0018169700000000 ] - [ 0.0003188100000000, -0.0001352500000000, -0.0009082100000000 ] - [ -0.0003072700000000, -0.0001620800000000, 0.0012045200000000 ] - [ -0.0000567000000000, -0.0000982100000000, 0.0016860500000000 ] - [ 0.0154265100000000, -0.0278605800000000, -0.0409224700000000 ] - [ -0.0002140700000000, -0.0003707800000000, 0.0013238600000000 ] - [ -0.0318412300000000, -0.0005705400000000, -0.0409224700000000 ] - [ 0.0001940300000000, -0.0001258500000000, 0.0011574600000000 ] - [ 0.0000213800000000, 0.0000370300000000, 0.0019915200000000 ] - [ 0.0001384700000000, 0.0002398500000000, 0.0024607600000000 ] - [ -0.0001273700000000, 0.0001783700000000, 0.0013787400000000 ] - [ 0.0026835300000000, -0.0047482600000000, -0.0013002500000000 ] - [ -0.0000489500000000, 0.0000299400000000, 0.0017330200000000 ] - [ 0.0000468400000000, 0.0000245100000000, 0.0014354700000000 ] - [ -0.0011197600000000, 0.0019924500000000, -0.0000708700000000 ] - [ 0.0001749200000000, -0.0000723700000000, 0.0017532500000000 ] - [ -0.0000021900000000, 0.0000528200000000, 0.0014354700000000 ] - [ 0.0000132600000000, -0.0003471400000000, 0.0012045200000000 ] - [ 0.0007427700000000, -0.0000835400000000, 0.0010362000000000 ] - [ 0.0020840600000000, 0.0022089600000000, -0.0019541000000000 ] - [ -0.0004437300000000, 0.0006014900000000, 0.0010362000000000 ] - [ -0.0000359900000000, 0.0000122700000000, 0.0013996600000000 ] - [ 0.0022853900000000, 0.0000264900000000, -0.0000708700000000 ] - [ -0.0001848700000000, 0.0004903900000000, 0.0010108900000000 ] - [ 0.0001990700000000, 0.0014942700000000, -0.0001086500000000 ] - [ -0.0007957600000000, -0.0001949700000000, 0.0021365400000000 ] - [ 0.0011616300000000, 0.0001029500000000, -0.0046199700000000 ] - [ -0.0001501400000000, 0.0001153000000000, 0.0017532500000000 ] - [ 0.0002290300000000, -0.0007866300000000, 0.0021365400000000 ] - [ 0.0039322000000000, 0.0068107700000000, -0.0002516200000000 ] - [ 0.0006745900000000, -0.0008273900000000, 0.0018169700000000 ] - [ -0.0004916600000000, 0.0010574800000000, -0.0046199700000000 ] - [ 0.0000286200000000, -0.0000250300000000, 0.0013996600000000 ] - [ 0.0002181600000000, -0.0000211200000000, 0.0013787400000000 ] - [ -0.0001451400000000, -0.0002513900000000, 0.0013052500000000 ] - [ -0.0016884700000000, 0.0007734500000000, 0.0010324200000000 ] - [ 0.0036753200000000, -0.0020876900000000, -0.0035304700000000 ] - [ 0.0000504000000000, -0.0000274200000000, 0.0017330200000000 ] - [ 0.0008828800000000, 0.0015291900000000, 0.0070121400000000 ] - [ -0.0000448000000000, -0.0000097600000000, 0.0017631800000000 ] - [ -0.0000367100000000, -0.0000081300000000, 0.0014057900000000 ] - [ -0.0010399000000000, -0.0018011600000000, 0.0083535800000000 ] - [ -0.0016486400000000, -0.0028555300000000, -0.0053709000000000 ] - [ -0.0001317700000000, -0.0003003100000000, 0.0009451100000000 ] - [ 0.0004021900000000, 0.0000041800000000, 0.0012923700000000 ] - [ -0.0002765400000000, 0.0002084700000000, -0.0009082100000000 ] - [ -0.0054538800000000, -0.0000501200000000, -0.0013002500000000 ] - [ -0.0036456500000000, 0.0021390800000000, -0.0035304700000000 ] - [ 0.0015140600000000, -0.0010755300000000, 0.0010324200000000 ] - [ -0.0003950500000000, -0.0006637200000000, -0.0050893800000000 ] - [ -0.0003772700000000, -0.0006739900000000, -0.0050893800000000 ] - [ 0.0011945400000000, 0.0009195300000000, -0.0001086500000000 ] - [ -0.0001974800000000, 0.0003503900000000, 0.0012923700000000 ] - [ -0.0360472900000000, -0.0624357400000000, -0.0706141400000000 ] - [ 0.0000008600000000, -0.0000058000000000, 0.0017268100000000 ] - [ -0.0004048400000000, 0.0001517100000000, -0.0013051300000000 ] - [ 0.0000062900000000, -0.0000670500000000, -0.0015885800000000 ] - [ -0.0002276800000000, 0.0005308000000000, -0.0007188300000000 ] - [ 0.0007116500000000, -0.0005165900000000, 0.0021091500000000 ] - [ 0.0696999100000000, 0.1207237800000000, 0.2000392500000000 ] - [ 0.0000650500000000, -0.0001346400000000, -0.0009370800000000 ] - [ 0.0000258200000000, -0.0003113700000000, -0.0003022000000000 ] - [ 0.0007938200000000, -0.0006976700000000, -0.0023998700000000 ] - [ 0.0011713400000000, 0.0020288300000000, 0.0000176900000000 ] - [ 0.0008283200000000, -0.0007553200000000, 0.0008641100000000 ] - [ -0.0017771300000000, -0.0004180200000000, 0.0014028700000000 ] - [ -0.0002697000000000, 0.0000069100000000, -0.0005374800000000 ] - [ -0.0002184700000000, 0.0000389700000000, -0.0013383100000000 ] - [ -0.0000802100000000, 0.0001244400000000, -0.0008053900000000 ] - [ -0.0000032700000000, -0.0001684900000000, -0.0009495800000000 ] - [ -0.0000575900000000, -0.0001367600000000, -0.0008032000000000 ] - [ 0.0006830300000000, 0.0011830500000000, -0.0028207200000000 ] - [ -0.0008032100000000, 0.0003580100000000, 0.0021091500000000 ] - [ 0.0002411500000000, -0.0000024200000000, -0.0008276300000000 ] - [ 0.0000523000000000, 0.0000905900000000, -0.0015716100000000 ] - [ 0.0005265500000000, -0.0017480500000000, 0.0014028700000000 ] - [ -0.0006058100000000, 0.0012656400000000, -0.0012844500000000 ] - [ -0.0001043600000000, -0.0000681600000000, -0.0007063100000000 ] - [ 0.0000751000000000, 0.0001379000000000, -0.0006538900000000 ] - [ 0.0000758700000000, 0.0000328400000000, -0.0012115900000000 ] - [ 0.0000818700000000, 0.0001339900000000, -0.0006538900000000 ] - [ -0.0002526800000000, -0.0004862200000000, 0.0008171300000000 ] - [ 0.0003708900000000, 0.0006424000000000, -0.0019107900000000 ] - [ 0.0002279700000000, -0.0002235800000000, -0.0001165400000000 ] - [ -0.0010682900000000, 0.0003396800000000, 0.0008641100000000 ] - [ 0.0000537300000000, 0.0000930600000000, -0.0011421000000000 ] - [ 0.0007893600000000, -0.0000763600000000, 0.0064799000000000 ] - [ -0.0003076100000000, 0.0000856300000000, -0.0001165400000000 ] - [ -0.0001232700000000, -0.0010337800000000, 0.0021814600000000 ] - [ -0.0002501400000000, -0.0000590400000000, -0.0000991300000000 ] - [ 0.0007106400000000, -0.0007022200000000, 0.0026929000000000 ] - [ 0.0001503300000000, -0.0000440100000000, -0.0007734300000000 ] - [ 0.0000668300000000, 0.0001307000000000, -0.0009264600000000 ] - [ -0.0001355400000000, 0.0012245800000000, 0.0014751500000000 ] - [ 0.0001100900000000, -0.0000021300000000, -0.0008204000000000 ] - [ -0.0008336500000000, -0.0006236500000000, 0.0021814600000000 ] - [ 0.0013989800000000, 0.0001081700000000, -0.0012844500000000 ] - [ 0.0004787000000000, 0.0001238000000000, -0.0006006200000000 ] - [ 0.0034964000000000, -0.0001975300000000, 0.0060794700000000 ] - [ 0.0014430900000000, -0.0019919000000000, 0.0028122600000000 ] - [ -0.0003456300000000, -0.0005986500000000, -0.0004426100000000 ] - [ 0.0000186500000000, -0.0000228300000000, -0.0015196200000000 ] - [ -0.0064975900000000, -0.0026623500000000, 0.0029097000000000 ] - [ -0.0026754800000000, -0.0001702700000000, -0.0019232700000000 ] - [ -0.0001226700000000, 0.0002076300000000, -0.0008276300000000 ] - [ 0.0001456200000000, 0.0000188400000000, -0.0008074900000000 ] - [ -0.0001206900000000, -0.0002090300000000, -0.0008282000000000 ] - [ -0.0001132800000000, 0.0001081800000000, -0.0007734300000000 ] - [ -0.0000290900000000, 0.0000047400000000, -0.0015196200000000 ] - [ -0.0001442800000000, -0.0000870700000000, -0.0009495800000000 ] - [ -0.0009634600000000, 0.0002643200000000, 0.0026929000000000 ] - [ -0.0001298100000000, -0.0000065500000000, -0.0010908700000000 ] - [ 0.0011902800000000, -0.0024021700000000, -0.0019232700000000 ] - [ -0.0000097900000000, 0.0005353500000000, -0.0012296000000000 ] - [ -0.0007377100000000, -0.0012777500000000, -0.0015253100000000 ] - [ -0.0002825600000000, -0.0001333300000000, -0.0003022000000000 ] - [ -0.0001491300000000, -0.0000109900000000, -0.0009370800000000 ] - [ 0.0011282900000000, 0.0004949000000000, 0.0014751500000000 ] - [ -0.0000550000000000, -0.0000952700000000, -0.0008473300000000 ] - [ -0.0058261600000000, -0.0100912100000000, -0.0243449200000000 ] - [ -0.0000612200000000, -0.0000280800000000, -0.0015885800000000 ] - [ 0.0001205600000000, -0.0000061600000000, -0.0005200600000000 ] - [ 0.0000874200000000, -0.0000260300000000, -0.0001450400000000 ] - [ -0.0000068500000000, -0.0001244600000000, -0.0007063100000000 ] - [ -0.0024465800000000, 0.0002538000000000, 0.0028122600000000 ] - [ -0.0019192700000000, 0.0029292000000000, 0.0060794700000000 ] - [ -0.0000564900000000, 0.0001355300000000, -0.0008074900000000 ] - [ 0.0004685300000000, 0.0002592000000000, -0.0012296000000000 ] - [ 0.0002417900000000, -0.0001204800000000, -0.0011607900000000 ] - [ -0.0000094900000000, 0.0000821200000000, -0.0012115900000000 ] - [ 0.0156496500000000, -0.0005577800000000, -0.0126851900000000 ] - [ 0.0000736900000000, -0.0000964700000000, -0.0009879300000000 ] - [ 0.0001225400000000, 0.0002122400000000, -0.0011147400000000 ] - [ -0.0000656200000000, 0.0001013300000000, -0.0005200600000000 ] - [ 0.0000739400000000, -0.0002461500000000, -0.0000991300000000 ] - [ -0.0003299000000000, -0.0005714000000000, -0.0011908600000000 ] - [ -0.0007812400000000, -0.0013531500000000, 0.0017008900000000 ] - [ 0.0009431300000000, -0.0069582500000000, 0.0029097000000000 ] - [ -0.0000662600000000, 0.0000626900000000, -0.0001450400000000 ] - [ 0.0000592400000000, -0.0001157000000000, -0.0010908700000000 ] - [ -0.0000484500000000, -0.0000839200000000, -0.0011978100000000 ] - [ -0.0001203900000000, 0.0000155800000000, -0.0009879300000000 ] - [ 0.0001429900000000, -0.0001697100000000, -0.0013383100000000 ] - [ -0.0001321400000000, 0.0004764600000000, -0.0006006200000000 ] - [ 0.0003338000000000, -0.0002747500000000, -0.0013051300000000 ] - [ -0.0004608100000000, 0.0006454300000000, 0.0064799000000000 ] - [ -0.0122321100000000, -0.0211866400000000, -0.0244272200000000 ] - [ 0.0001478700000000, -0.0000072400000000, -0.0008053900000000 ] - [ -0.0002947400000000, -0.0004619400000000, 0.0008171300000000 ] - [ -0.0002252400000000, 0.0001491600000000, -0.0011607900000000 ] - [ 0.0000067100000000, 0.0000116200000000, -0.0014889400000000 ] - [ 0.0001408300000000, -0.0002301100000000, -0.0005374800000000 ] - [ -0.0000896400000000, -0.0001182600000000, -0.0008032000000000 ] - [ -0.0010011100000000, 0.0003386300000000, -0.0023998700000000 ] - [ 0.0000797700000000, 0.0001232300000000, -0.0009264600000000 ] - [ -0.0083078800000000, 0.0132741000000000, -0.0126851900000000 ] - [ 0.0005735200000000, 0.0000682300000000, -0.0007188300000000 ] - [ -0.0000568900000000, 0.0000942700000000, -0.0008204000000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002718500000000, -0.0004074700000000, 0.0014156600000000 ] - [ 0.0001549700000000, 0.0000288800000000, 0.0001718900000000 ] - [ -0.0051907200000000, 0.0006177200000000, -0.0019164600000000 ] - [ -0.0000853400000000, -0.0008646200000000, -0.0018985500000000 ] - [ -0.0001452900000000, 0.0008266600000000, 0.0003704700000000 ] - [ 0.0000139600000000, -0.0000711500000000, 0.0000531300000000 ] - [ -0.0000178000000000, 0.0000035100000000, -0.0001774900000000 ] - [ 0.0006732400000000, -0.0008163500000000, 0.0001387700000000 ] - [ 0.0020094600000000, -0.0011058500000000, 0.0004075800000000 ] - [ -0.0034975000000000, 0.0003640500000000, 0.0007647200000000 ] - [ -0.0025085500000000, -0.0056642600000000, -0.0032623100000000 ] - [ -0.0000269400000000, 0.0000192600000000, 0.0002434800000000 ] - [ -0.0002482900000000, 0.0000531700000000, 0.0006932000000000 ] - [ 0.0001559300000000, -0.0007264700000000, 0.0001083300000000 ] - [ -0.0001569100000000, 0.0000280200000000, 0.0000023500000000 ] - [ 0.0001256700000000, 0.0001027100000000, 0.0000971800000000 ] - [ -0.0010749200000000, 0.0011043600000000, 0.0020242600000000 ] - [ 0.0000320200000000, -0.0000694300000000, -0.0002880900000000 ] - [ 0.0058460300000000, -0.0001682400000000, -0.0004223100000000 ] - [ -0.0002772300000000, 0.0031670900000000, -0.0000177900000000 ] - [ 0.0002503500000000, 0.0000256800000000, 0.0001284700000000 ] - [ -0.0021485000000000, 0.0050835600000000, -0.0030833000000000 ] - [ -0.0001095900000000, 0.0002488600000000, 0.0001325300000000 ] - [ 0.0020178400000000, 0.0012872900000000, 0.0005704100000000 ] - [ -0.0062470300000000, 0.0006393200000000, 0.0031700400000000 ] - [ -0.0001673400000000, -0.0001688100000000, 0.0000729200000000 ] - [ 0.0000686000000000, -0.0001692000000000, -0.0000294700000000 ] - [ -0.0000753200000000, -0.0000050900000000, -0.0003311300000000 ] - [ 0.0236894500000000, -0.0028864600000000, 0.0001226600000000 ] - [ -0.0063890300000000, -0.0004760200000000, 0.0019322000000000 ] - [ 0.0000115600000000, -0.0000194300000000, -0.0002835200000000 ] - [ -0.0026281300000000, -0.0052768800000000, -0.0038319500000000 ] - [ -0.0086777100000000, 0.0007153900000000, -0.0034376800000000 ] - [ -0.0001831000000000, -0.0013841500000000, -0.0000503700000000 ] - [ 0.0004693000000000, -0.0000160700000000, -0.0000175400000000 ] - [ 0.0000107900000000, 0.0000218900000000, 0.0001547700000000 ] - [ -0.0000727000000000, 0.0001774900000000, 0.0001441700000000 ] - [ 0.0028029200000000, 0.0081648900000000, 0.0029911300000000 ] - [ 0.0000299100000000, 0.0000129600000000, -0.0002976000000000 ] - [ 0.0000694900000000, -0.0000818500000000, 0.0000625100000000 ] - [ -0.0002437700000000, 0.0000719500000000, -0.0002310900000000 ] - [ -0.0002540400000000, 0.0000004100000000, 0.0000766600000000 ] - [ 0.0002721700000000, -0.0000329200000000, 0.0001310900000000 ] - [ -0.0042963800000000, -0.0050321600000000, 0.0086662600000000 ] - [ -0.0000086300000000, -0.0000282900000000, -0.0001500000000000 ] - [ 0.0000383800000000, 0.0000758500000000, -0.0002911600000000 ] - [ -0.0007047200000000, -0.0003207300000000, -0.0002357100000000 ] - [ -0.0001437700000000, 0.0002161200000000, 0.0001295100000000 ] - [ -0.0005968900000000, 0.0017286600000000, -0.0001097500000000 ] - [ 0.0001345600000000, 0.0000708000000000, -0.0004797800000000 ] - [ -0.0000925900000000, 0.0005701000000000, 0.0003592500000000 ] - [ -0.0002868700000000, -0.0002130600000000, 0.0008564600000000 ] - [ 0.0000516100000000, -0.0000910500000000, -0.0003293800000000 ] - [ -0.0000181400000000, -0.0009868500000000, 0.0004493500000000 ] - [ -0.0006901300000000, -0.0001490700000000, -0.0001488200000000 ] - [ 0.0378328200000000, -0.0338240100000000, -0.0137449900000000 ] - [ 0.0023506700000000, -0.0026086300000000, 0.0119017000000000 ] - [ 0.0000136200000000, 0.0000692500000000, -0.0002923400000000 ] - [ 0.0000543000000000, 0.0001087600000000, -0.0002310900000000 ] - [ 0.0000151000000000, -0.0000016300000000, -0.0001361200000000 ] - [ 0.0208794600000000, -0.0042511000000000, -0.0028283500000000 ] - [ -0.0000423200000000, 0.0000028000000000, -0.0002739000000000 ] - [ 0.0000386300000000, -0.0000779000000000, -0.0002785900000000 ] - [ -0.0001147000000000, 0.0000000700000000, -0.0001798100000000 ] - [ 0.0000530000000000, -0.0005066000000000, -0.0003156200000000 ] - [ -0.0001340800000000, -0.0002137800000000, 0.0001283600000000 ] - [ -0.0001037200000000, -0.0002588300000000, 0.0001266000000000 ] - [ 0.0000709300000000, 0.0003346600000000, -0.0008836200000000 ] - [ 0.0014198900000000, -0.0048572900000000, 0.0008260800000000 ] - [ -0.0000454100000000, -0.0000090100000000, 0.0002214400000000 ] - [ 0.0062629100000000, 0.0040468000000000, -0.0026129300000000 ] - [ -0.0001868300000000, -0.0000207600000000, 0.0000074900000000 ] - [ 0.0111590800000000, 0.0086364300000000, -0.0017268800000000 ] - [ 0.0001764400000000, 0.0001833000000000, 0.0002305400000000 ] - [ -0.0000759800000000, 0.0001356200000000, -0.0001531900000000 ] - [ -0.0000007000000000, -0.0000183300000000, -0.0002833100000000 ] - [ -0.1355297300000000, 0.0574862700000000, 0.0029725200000000 ] - [ -0.0000175700000000, 0.0002884900000000, 0.0002925100000000 ] - [ 0.0000782400000000, -0.0001070800000000, -0.0000654200000000 ] - [ 0.0001496100000000, 0.0001048500000000, -0.0001025600000000 ] - [ -0.0002222100000000, 0.0000412600000000, -0.0002065300000000 ] - [ 0.0000596400000000, -0.0000051600000000, -0.0002038400000000 ] - [ -0.0011924900000000, 0.0006007100000000, 0.0003549400000000 ] - [ 0.0001494200000000, -0.0000384800000000, -0.0001965000000000 ] - [ -0.0001233800000000, -0.0013648400000000, 0.0003781700000000 ] - [ 0.0022137200000000, -0.0001832600000000, -0.0019519700000000 ] - [ -0.0017130500000000, 0.0021913000000000, 0.0018298300000000 ] - [ 0.0006734000000000, -0.0001927700000000, -0.0000922900000000 ] - [ 0.0001357900000000, 0.0000003900000000, -0.0001478700000000 ] - [ 0.0033187500000000, 0.0006533400000000, 0.0019505700000000 ] - [ 0.0000645700000000, -0.0039213000000000, -0.0003104700000000 ] - [ -0.0000376300000000, 0.0000425100000000, -0.0002059300000000 ] - [ -0.0000616600000000, 0.0000078400000000, 0.0004845100000000 ] - [ 0.0008626700000000, 0.0014918100000000, -0.0008217200000000 ] - [ 0.0001721800000000, -0.0009083300000000, 0.0003728100000000 ] - [ -0.0027222500000000, -0.0031080700000000, -0.0052152900000000 ] - [ -0.0013130700000000, -0.0018880900000000, 0.0019873600000000 ] - [ -0.0001219800000000, 0.0002866700000000, -0.0000214400000000 ] - [ 0.0000592900000000, 0.0000091700000000, 0.0000351600000000 ] - [ -0.0001064800000000, 0.0000390800000000, -0.0000477300000000 ] - [ 0.0000816000000000, -0.0001403100000000, 0.0001035500000000 ] - [ 0.0047205700000000, 0.0000270300000000, -0.0001349100000000 ] - [ 0.0000795200000000, 0.0000878600000000, -0.0000984700000000 ] - [ -0.0000033400000000, -0.0000845000000000, -0.0000538700000000 ] - [ -0.0000108800000000, 0.0000228900000000, -0.0002868500000000 ] - [ 0.0000460400000000, 0.0001034900000000, -0.0000593400000000 ] - [ -0.0001229700000000, -0.0000063900000000, -0.0001048500000000 ] - [ -0.0042004800000000, 0.0048604700000000, -0.0071235900000000 ] - [ -0.0062815500000000, -0.0008908700000000, 0.0008175400000000 ] - [ -0.0000178200000000, -0.0000433400000000, -0.0001971300000000 ] - [ -0.0022973100000000, -0.0071837500000000, -0.0100097500000000 ] - [ 0.0000003800000000, -0.0000024600000000, -0.0002650100000000 ] - [ 0.0000147900000000, -0.0000451700000000, 0.0003656800000000 ] - [ 0.0002301200000000, -0.0005286400000000, -0.0007326300000000 ] - [ -0.0001206400000000, 0.0000126700000000, -0.0001084300000000 ] - [ -0.0000012700000000, 0.0000058300000000, 0.0001350000000000 ] - [ -0.0001323600000000, -0.0006246800000000, -0.0000116100000000 ] - [ -0.0001784500000000, 0.0002905600000000, -0.0001106200000000 ] - [ -0.0001820600000000, 0.0003496500000000, 0.0001712500000000 ] - [ 0.0000947600000000, 0.0004134900000000, 0.0003960300000000 ] - [ 0.0027573300000000, 0.0007302000000000, -0.0021168300000000 ] - [ 0.0011511700000000, 0.0014435700000000, -0.0009777400000000 ] - [ 0.0015329400000000, -0.0021081600000000, -0.0013773200000000 ] - [ -0.0008091200000000, 0.0016593800000000, 0.0007677600000000 ] - [ -0.0012686200000000, -0.0007214800000000, 0.0006564400000000 ] - [ 0.0025121000000000, 0.0007794600000000, 0.0008263500000000 ] - [ 0.0000133600000000, -0.0001097400000000, -0.0000784600000000 ] - [ 0.0238342400000000, -0.0220234500000000, -0.0013457500000000 ] - [ 0.0008017300000000, 0.0000748900000000, -0.0002272100000000 ] - [ -0.0001018800000000, 0.0002445600000000, -0.0004054300000000 ] - [ 0.0000378600000000, 0.0000292900000000, 0.0003991000000000 ] - [ -0.0014151300000000, -0.0007484500000000, 0.0004305500000000 ] - [ -0.0003188600000000, 0.0023265800000000, 0.0000691500000000 ] - [ -0.0000425000000000, -0.0000448300000000, -0.0002067000000000 ] - [ 0.0026739200000000, -0.0008147000000000, 0.0009719100000000 ] - [ -0.0000256400000000, -0.0002478400000000, -0.0000287300000000 ] - [ 0.0172933200000000, 0.0135044600000000, 0.0027152300000000 ] - [ 0.0000248000000000, -0.0000015000000000, -0.0001290600000000 ] - [ -0.0000355100000000, -0.0000115100000000, -0.0000254700000000 ] - [ 0.0045819100000000, 0.0014952500000000, 0.0145525700000000 ] - [ -0.0000072700000000, -0.0000011400000000, 0.0001361300000000 ] - [ 0.0000876200000000, -0.0000751700000000, -0.0000715400000000 ] - [ 0.0052234000000000, -0.0006473200000000, 0.0147947600000000 ] - [ 0.0006081400000000, -0.0000168700000000, -0.0000331700000000 ] - [ -0.0001995400000000, -0.0001005700000000, -0.0002646400000000 ] - [ -0.0001462000000000, 0.0004957600000000, -0.0000266300000000 ] - [ 0.0000668700000000, 0.0000042700000000, -0.0002045100000000 ] - [ 0.0034906700000000, -0.0011869900000000, -0.0000412100000000 ] - [ 0.0009242500000000, -0.0013817200000000, -0.0008764200000000 ] - [ -0.0000548600000000, 0.0001689400000000, -0.0000188500000000 ] - [ 0.0000015200000000, 0.0000800400000000, -0.0000518800000000 ] - [ -0.0001461900000000, -0.0003436700000000, -0.0002808800000000 ] - [ -0.0001900100000000, -0.0003752600000000, 0.0001555900000000 ] - [ 0.0004291900000000, -0.0000071100000000, 0.0001348300000000 ] - [ 0.0000363500000000, -0.0000017200000000, 0.0000329900000000 ] - [ 0.0028774900000000, 0.0007546000000000, -0.0000262300000000 ] - [ 0.0000216700000000, -0.0001663400000000, 0.0000244300000000 ] - [ 0.0130920900000000, -0.0100469800000000, 0.0011496200000000 ] - [ -0.0000079400000000, 0.0001060200000000, -0.0002893800000000 ] - [ -0.0000113700000000, -0.0002500100000000, 0.0001432100000000 ] - [ 0.0001499300000000, 0.0000439000000000, -0.0003915800000000 ] - [ 0.0000419400000000, 0.0001075700000000, -0.0000961900000000 ] - [ -0.0000686700000000, -0.0001332800000000, -0.0001525300000000 ] - [ -0.0007552900000000, -0.0019100100000000, 0.0009744900000000 ] - [ 0.0002824500000000, -0.0000372800000000, 0.0001101700000000 ] - [ -0.0002608900000000, 0.0001313800000000, -0.0000074100000000 ] - [ 0.0008067500000000, -0.0001098300000000, -0.0003862900000000 ] - [ -0.0000156300000000, 0.0003627200000000, -0.0005298400000000 ] - [ -0.0029241200000000, 0.0043562200000000, -0.0058229000000000 ] - [ -0.0000936900000000, -0.0000235900000000, -0.0000215100000000 ] - [ -0.0037645000000000, 0.0003062700000000, -0.0002352300000000 ] - [ -0.0000184700000000, 0.0000478700000000, -0.0001973400000000 ] - [ -0.0002106900000000, 0.0002091200000000, -0.0009211200000000 ] - [ 0.0000275300000000, 0.0009695100000000, 0.0002383000000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003240400000000, 0.0003066400000000, -0.0014125900000000 ] - [ -0.0001546100000000, -0.0000293300000000, -0.0001732100000000 ] - [ 0.0051946800000000, -0.0006225400000000, 0.0023385500000000 ] - [ -0.0000262700000000, 0.0008638000000000, 0.0018949200000000 ] - [ 0.0002025600000000, -0.0007211600000000, -0.0003706000000000 ] - [ -0.0000141300000000, 0.0000724600000000, -0.0000540400000000 ] - [ 0.0000181100000000, -0.0000034400000000, -0.0002266700000000 ] - [ -0.0006725500000000, 0.0008233700000000, 0.0002017800000000 ] - [ -0.0023474700000000, 0.0015431500000000, -0.0006206400000000 ] - [ 0.0034881100000000, -0.0003722100000000, -0.0016176800000000 ] - [ 0.0026559600000000, 0.0058360900000000, 0.0033202100000000 ] - [ 0.0000105700000000, 0.0000228200000000, 0.0001839500000000 ] - [ 0.0002457500000000, -0.0000558800000000, 0.0001487300000000 ] - [ -0.0001273800000000, 0.0007735400000000, 0.0005103700000000 ] - [ -0.0000912000000000, -0.0000538600000000, -0.0000830600000000 ] - [ -0.0000298400000000, 0.0001236500000000, -0.0001786100000000 ] - [ 0.0008967000000000, -0.0006136600000000, -0.0022128900000000 ] - [ 0.0000364700000000, -0.0000471000000000, -0.0003390300000000 ] - [ -0.0061830200000000, -0.0002623000000000, 0.0001980900000000 ] - [ 0.0003538800000000, -0.0030247100000000, 0.0006817200000000 ] - [ 0.0002706700000000, 0.0000417200000000, 0.0000693300000000 ] - [ 0.0018586800000000, -0.0055345000000000, 0.0029563900000000 ] - [ -0.0000920600000000, 0.0002357400000000, 0.0000652400000000 ] - [ -0.0015065600000000, -0.0013689900000000, -0.0007714100000000 ] - [ 0.0062909500000000, -0.0005163200000000, -0.0025195300000000 ] - [ -0.0001106300000000, -0.0003132700000000, 0.0000239200000000 ] - [ -0.0000750400000000, 0.0001665900000000, -0.0003085700000000 ] - [ -0.0000837100000000, -0.0000004500000000, -0.0003232000000000 ] - [ -0.0241045000000000, 0.0034141600000000, 0.0000875200000000 ] - [ 0.0061626100000000, 0.0005008900000000, -0.0018745400000000 ] - [ -0.0000100300000000, 0.0000234600000000, -0.0003424000000000 ] - [ 0.0026961900000000, 0.0051352400000000, 0.0045242200000000 ] - [ 0.0087970600000000, -0.0009165300000000, 0.0034754000000000 ] - [ -0.0000116800000000, 0.0009016000000000, -0.0001422000000000 ] - [ 0.0000901700000000, 0.0000155200000000, 0.0001165700000000 ] - [ 0.0000340300000000, -0.0000153000000000, 0.0002725100000000 ] - [ -0.0002067600000000, 0.0003053400000000, -0.0000446800000000 ] - [ -0.0027591100000000, -0.0083798000000000, -0.0029388300000000 ] - [ -0.0000267000000000, -0.0000097600000000, -0.0003282300000000 ] - [ 0.0000325300000000, -0.0001456600000000, -0.0001430200000000 ] - [ 0.0002276400000000, -0.0000307300000000, -0.0001948800000000 ] - [ 0.0000150300000000, 0.0000216100000000, -0.0001572800000000 ] - [ 0.0002484400000000, -0.0000378000000000, 0.0000670000000000 ] - [ 0.0041528700000000, 0.0049695900000000, -0.0079435900000000 ] - [ 0.0001475100000000, -0.0001672200000000, 0.0000686400000000 ] - [ 0.0000400600000000, 0.0000595200000000, -0.0003614300000000 ] - [ 0.0012228500000000, 0.0003973700000000, 0.0000433400000000 ] - [ -0.0001772700000000, 0.0001991700000000, 0.0000685100000000 ] - [ 0.0003603900000000, -0.0017649400000000, 0.0001906200000000 ] - [ -0.0001319600000000, -0.0000777000000000, 0.0001424200000000 ] - [ 0.0001890300000000, -0.0004066500000000, 0.0002076800000000 ] - [ 0.0001016800000000, 0.0002119800000000, -0.0002936700000000 ] - [ 0.0000447000000000, -0.0000740000000000, -0.0002370000000000 ] - [ 0.0000786900000000, 0.0008562900000000, 0.0001746200000000 ] - [ 0.0006704800000000, 0.0001137500000000, -0.0002721800000000 ] - [ -0.0377901700000000, 0.0327661500000000, 0.0139910100000000 ] - [ -0.0034000100000000, 0.0028124700000000, -0.0110355800000000 ] - [ 0.0000539500000000, 0.0000472700000000, -0.0003346400000000 ] - [ 0.0000412600000000, 0.0000564700000000, -0.0003359200000000 ] - [ 0.0001335400000000, 0.0001971200000000, 0.0000535300000000 ] - [ -0.0201751200000000, 0.0045818900000000, 0.0030500700000000 ] - [ -0.0000922300000000, -0.0000020000000000, -0.0003531000000000 ] - [ 0.0000366000000000, -0.0000629300000000, -0.0003755300000000 ] - [ -0.0000756800000000, 0.0000006300000000, -0.0003874200000000 ] - [ 0.0000413000000000, 0.0003419500000000, 0.0008836300000000 ] - [ -0.0001853400000000, -0.0002036700000000, 0.0000681900000000 ] - [ -0.0000974200000000, -0.0002268200000000, 0.0000699500000000 ] - [ -0.0000296200000000, -0.0003288400000000, 0.0004561800000000 ] - [ -0.0017330400000000, 0.0053420500000000, -0.0009491400000000 ] - [ 0.0000249400000000, -0.0000269700000000, 0.0002034300000000 ] - [ -0.0062297600000000, -0.0040577100000000, 0.0029434100000000 ] - [ -0.0000285500000000, 0.0001329500000000, -0.0004187400000000 ] - [ -0.0112671700000000, -0.0088857800000000, 0.0008725800000000 ] - [ -0.0000172500000000, -0.0003613600000000, -0.0001013200000000 ] - [ -0.0000714100000000, 0.0001205600000000, -0.0001115600000000 ] - [ -0.0000172300000000, -0.0000132600000000, -0.0002545500000000 ] - [ 0.1369552800000000, -0.0576258800000000, -0.0033395800000000 ] - [ 0.0000008100000000, -0.0002559700000000, 0.0002450500000000 ] - [ 0.0000325300000000, -0.0000730800000000, -0.0000011500000000 ] - [ 0.0000676000000000, 0.0002715900000000, 0.0001032300000000 ] - [ -0.0002249500000000, -0.0000436800000000, 0.0002090300000000 ] - [ 0.0000561700000000, 0.0000017500000000, -0.0001655600000000 ] - [ 0.0012710800000000, -0.0008276500000000, -0.0002270800000000 ] - [ 0.0000502000000000, 0.0001756800000000, -0.0002213600000000 ] - [ 0.0001469900000000, 0.0015878400000000, 0.0000366600000000 ] - [ -0.0022670400000000, 0.0002865200000000, 0.0023005400000000 ] - [ 0.0014821400000000, -0.0022970800000000, -0.0014106800000000 ] - [ -0.0006892900000000, 0.0001652400000000, 0.0006245500000000 ] - [ 0.0001599500000000, -0.0000000200000000, -0.0001167100000000 ] - [ -0.0026186900000000, -0.0006461300000000, -0.0015707500000000 ] - [ 0.0000027200000000, 0.0040266200000000, -0.0005575600000000 ] - [ -0.0000228000000000, 0.0000557600000000, -0.0001635500000000 ] - [ -0.0000657200000000, -0.0000103600000000, 0.0003865500000000 ] - [ -0.0009183400000000, -0.0015884300000000, 0.0011806300000000 ] - [ -0.0000577000000000, 0.0009113300000000, -0.0000031300000000 ] - [ 0.0026889500000000, 0.0031274400000000, 0.0049151700000000 ] - [ 0.0012698800000000, 0.0019828400000000, -0.0016176100000000 ] - [ -0.0002007900000000, 0.0002794300000000, 0.0000202800000000 ] - [ -0.0000288900000000, 0.0000425600000000, 0.0000509300000000 ] - [ -0.0001067300000000, -0.0000438700000000, -0.0000187800000000 ] - [ 0.0001403900000000, -0.0002481800000000, -0.0001028300000000 ] - [ -0.0046820200000000, 0.0000257100000000, 0.0000503800000000 ] - [ 0.0000818400000000, 0.0000907000000000, -0.0000308500000000 ] - [ 0.0001059700000000, -0.0001028000000000, -0.0000128200000000 ] - [ -0.0000056500000000, 0.0000059700000000, -0.0002525800000000 ] - [ 0.0000637600000000, 0.0000744300000000, -0.0000086700000000 ] - [ -0.0001074800000000, -0.0000419100000000, -0.0000227000000000 ] - [ 0.0044366200000000, -0.0048990800000000, 0.0074591600000000 ] - [ 0.0063899700000000, 0.0009325800000000, -0.0007491200000000 ] - [ -0.0000305500000000, -0.0000575300000000, -0.0001712800000000 ] - [ 0.0026396500000000, 0.0071507700000000, 0.0100140700000000 ] - [ 0.0000335000000000, 0.0000022700000000, -0.0002742800000000 ] - [ 0.0000471100000000, -0.0000665800000000, 0.0005049900000000 ] - [ -0.0000753400000000, 0.0007105900000000, 0.0008675200000000 ] - [ -0.0001099200000000, 0.0000360500000000, -0.0000213000000000 ] - [ 0.0000009000000000, -0.0000040600000000, 0.0001854000000000 ] - [ -0.0002701700000000, -0.0000746300000000, -0.0003082600000000 ] - [ 0.0001767500000000, -0.0002926000000000, 0.0001112900000000 ] - [ -0.0002273700000000, 0.0003448700000000, 0.0001464400000000 ] - [ -0.0005027200000000, 0.0002806400000000, -0.0007157400000000 ] - [ -0.0030958100000000, -0.0001196600000000, 0.0025001500000000 ] - [ -0.0009410600000000, -0.0015793200000000, 0.0014044500000000 ] - [ -0.0018706700000000, 0.0015063300000000, 0.0017527100000000 ] - [ 0.0006674400000000, -0.0014037900000000, -0.0005064400000000 ] - [ 0.0012627000000000, 0.0007195100000000, -0.0006565400000000 ] - [ -0.0023945000000000, -0.0007802600000000, -0.0004654600000000 ] - [ 0.0000608200000000, -0.0001144600000000, -0.0000492700000000 ] - [ -0.0243057200000000, 0.0224166200000000, 0.0012840200000000 ] - [ 0.0000019500000000, -0.0000818200000000, -0.0000925400000000 ] - [ -0.0002410100000000, 0.0003606100000000, 0.0000379300000000 ] - [ 0.0000228500000000, 0.0000752300000000, 0.0004713600000000 ] - [ 0.0014606300000000, 0.0007518600000000, 0.0001135600000000 ] - [ 0.0001017700000000, -0.0023357400000000, -0.0000036000000000 ] - [ -0.0000206300000000, -0.0000477600000000, -0.0001619200000000 ] - [ -0.0027994800000000, 0.0005839800000000, -0.0009473000000000 ] - [ -0.0002933500000000, -0.0003047800000000, 0.0000275900000000 ] - [ -0.0171497500000000, -0.0132787300000000, -0.0035364700000000 ] - [ 0.0002334400000000, -0.0000002600000000, 0.0001162400000000 ] - [ -0.0000206000000000, 0.0000124700000000, 0.0001102100000000 ] - [ -0.0046530100000000, -0.0015802600000000, -0.0143296100000000 ] - [ 0.0000094300000000, 0.0000014100000000, 0.0001843500000000 ] - [ 0.0000703000000000, -0.0001004300000000, -0.0000583600000000 ] - [ -0.0054162800000000, 0.0007707600000000, -0.0142440400000000 ] - [ 0.0000891800000000, 0.0000219200000000, -0.0003328600000000 ] - [ 0.0002139100000000, -0.0001397800000000, -0.0001509000000000 ] - [ 0.0001445800000000, -0.0005061100000000, -0.0002920800000000 ] - [ 0.0000500700000000, -0.0000008400000000, -0.0001669000000000 ] - [ -0.0033726800000000, 0.0009756600000000, 0.0001064800000000 ] - [ -0.0010720700000000, 0.0011193500000000, 0.0011291400000000 ] - [ -0.0000753000000000, 0.0000541200000000, 0.0000066600000000 ] - [ 0.0000980000000000, 0.0001041000000000, -0.0000157400000000 ] - [ -0.0002000400000000, -0.0002570200000000, -0.0000837900000000 ] - [ -0.0002130500000000, -0.0003236700000000, 0.0001643300000000 ] - [ 0.0003773000000000, -0.0000006100000000, 0.0001828000000000 ] - [ -0.0000067800000000, -0.0000466200000000, 0.0000521700000000 ] - [ -0.0028412000000000, -0.0007820600000000, -0.0000580900000000 ] - [ -0.0001517900000000, -0.0000601300000000, -0.0000348400000000 ] - [ -0.0131289700000000, 0.0099013600000000, -0.0010692100000000 ] - [ 0.0000274800000000, 0.0001351000000000, -0.0001279700000000 ] - [ 0.0000865100000000, 0.0004726500000000, -0.0000141000000000 ] - [ 0.0000556900000000, -0.0001734400000000, -0.0000205800000000 ] - [ 0.0000325600000000, 0.0001212000000000, -0.0000331100000000 ] - [ -0.0000787400000000, -0.0001226400000000, -0.0001117200000000 ] - [ 0.0009462000000000, 0.0020415400000000, -0.0005491600000000 ] - [ 0.0003701100000000, 0.0000406300000000, -0.0001102600000000 ] - [ 0.0000450600000000, -0.0002386800000000, -0.0004069100000000 ] - [ -0.0008047400000000, 0.0001086500000000, 0.0003904200000000 ] - [ -0.0002231500000000, -0.0004180100000000, 0.0006661800000000 ] - [ 0.0029828500000000, -0.0045616600000000, 0.0062011100000000 ] - [ -0.0001169000000000, 0.0000290500000000, -0.0000450300000000 ] - [ 0.0038697800000000, -0.0000953300000000, 0.0003058800000000 ] - [ -0.0000364900000000, 0.0000548700000000, -0.0001740300000000 ] - [ -0.0000264600000000, -0.0001574300000000, 0.0010565800000000 ] - [ -0.0001571800000000, -0.0007367600000000, -0.0002244600000000 ]- atom: 77 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0004648200000000, 0.0006947700000000, 0.0003346000000000 ] - [ -0.0000517800000000, 0.0000936500000000, -0.0004047500000000 ] - [ 0.0039598100000000, 0.0001658300000000, 0.0027279500000000 ] - [ -0.0004280900000000, 0.0008546800000000, 0.0004789600000000 ] - [ 0.0007613000000000, -0.0012528800000000, -0.0006504300000000 ] - [ -0.0000069300000000, -0.0000779400000000, 0.0001116900000000 ] - [ 0.0000129100000000, 0.0000035200000000, -0.0002584500000000 ] - [ -0.0016687600000000, -0.0021988900000000, -0.0009510600000000 ] - [ -0.0005260700000000, -0.0007175000000000, 0.0022187000000000 ] - [ 0.0028933500000000, 0.0004300600000000, -0.0016642800000000 ] - [ -0.0014610200000000, -0.0000659500000000, 0.0006084400000000 ] - [ -0.0000008300000000, 0.0000112900000000, 0.0001543400000000 ] - [ 0.0001270800000000, 0.0000831700000000, -0.0000197600000000 ] - [ -0.0048501500000000, -0.0069441700000000, 0.0030239200000000 ] - [ -0.0000516400000000, -0.0001185500000000, -0.0001084500000000 ] - [ 0.0000484900000000, 0.0002839000000000, -0.0001214400000000 ] - [ 0.0031287400000000, 0.0006539100000000, -0.0026857800000000 ] - [ 0.0000334300000000, -0.0000699500000000, -0.0003674300000000 ] - [ -0.0029195300000000, 0.0045602700000000, -0.0007792800000000 ] - [ 0.0026803600000000, -0.0046500900000000, 0.0009773700000000 ] - [ 0.0002671600000000, 0.0000308500000000, 0.0000377900000000 ] - [ 0.0036207600000000, -0.0067698100000000, 0.0031831700000000 ] - [ -0.0000849500000000, 0.0002470200000000, 0.0000219800000000 ] - [ -0.0016731500000000, -0.0028849700000000, -0.0025368700000000 ] - [ 0.0058521700000000, 0.0001064200000000, -0.0025958300000000 ] - [ -0.0000816700000000, -0.0003593900000000, -0.0000185100000000 ] - [ -0.0001419300000000, -0.0000550600000000, -0.0006180800000000 ] - [ -0.0000852400000000, 0.0000035100000000, -0.0003776400000000 ] - [ -0.0149654400000000, 0.0232064300000000, 0.0002550200000000 ] - [ 0.0008822100000000, 0.0008209700000000, 0.0004691700000000 ] - [ -0.0000233000000000, -0.0000143800000000, -0.0003834700000000 ] - [ -0.0020661600000000, 0.0025942300000000, -0.0010545600000000 ] - [ 0.0053022300000000, 0.0041054900000000, 0.0020190600000000 ] - [ -0.0013520200000000, -0.0010659700000000, -0.0000381200000000 ] - [ 0.0001189600000000, 0.0000879100000000, -0.0000221900000000 ] - [ 0.0000488100000000, 0.0000003300000000, 0.0002375900000000 ] - [ -0.0001991600000000, 0.0002054400000000, 0.0000509700000000 ] - [ 0.0040454500000000, -0.0100047500000000, -0.0042196500000000 ] - [ -0.0000035600000000, 0.0000086800000000, -0.0003498400000000 ] - [ 0.0000682700000000, -0.0001436800000000, -0.0002459600000000 ] - [ 0.0000793600000000, -0.0002902600000000, -0.0002625000000000 ] - [ -0.0000923400000000, 0.0000095800000000, -0.0000782500000000 ] - [ 0.0002506800000000, -0.0000507300000000, 0.0000207400000000 ] - [ -0.0019787300000000, 0.0041644900000000, -0.0009353700000000 ] - [ 0.0001329600000000, -0.0000748800000000, -0.0000298900000000 ] - [ 0.0000442600000000, 0.0000528600000000, -0.0004010200000000 ] - [ 0.0011834600000000, -0.0008420300000000, 0.0000347200000000 ] - [ -0.0001678000000000, 0.0001988800000000, 0.0000414900000000 ] - [ 0.0036832600000000, -0.0063822100000000, 0.0030932400000000 ] - [ -0.0000105500000000, -0.0000014700000000, 0.0004749300000000 ] - [ 0.0006883100000000, -0.0007579100000000, 0.0001760600000000 ] - [ -0.0002317900000000, 0.0006730200000000, 0.0003920000000000 ] - [ 0.0000265500000000, -0.0000665400000000, -0.0003582400000000 ] - [ -0.0029355800000000, -0.0048074600000000, -0.0028709600000000 ] - [ 0.0003273500000000, 0.0002154000000000, -0.0002962500000000 ] - [ -0.0475575600000000, 0.0896413200000000, 0.0290574800000000 ] - [ -0.0035699100000000, 0.0215885600000000, -0.0038982900000000 ] - [ 0.0000454800000000, 0.0000506400000000, -0.0003673200000000 ] - [ 0.0000519500000000, 0.0000444100000000, -0.0003902500000000 ] - [ 0.0000663000000000, 0.0000859300000000, -0.0000679600000000 ] - [ -0.0137967400000000, 0.0184387400000000, 0.0004270600000000 ] - [ -0.0000804300000000, 0.0000174800000000, -0.0003992400000000 ] - [ 0.0000342200000000, -0.0000609700000000, -0.0003792000000000 ] - [ -0.0001013100000000, 0.0000170900000000, -0.0003309900000000 ] - [ -0.0004113000000000, 0.0000787000000000, 0.0002769600000000 ] - [ -0.0001759900000000, -0.0001805100000000, 0.0000267300000000 ] - [ -0.0001082200000000, -0.0002484000000000, 0.0000412000000000 ] - [ 0.0003005500000000, 0.0000473500000000, 0.0002941700000000 ] - [ -0.0063451500000000, -0.0018970100000000, 0.0020959800000000 ] - [ 0.0000049700000000, -0.0000117700000000, 0.0001565800000000 ] - [ 0.0002059100000000, -0.0011336200000000, 0.0060395700000000 ] - [ -0.0001198400000000, -0.0000567700000000, -0.0003651500000000 ] - [ 0.0029327300000000, -0.0030104100000000, -0.0008352200000000 ] - [ 0.0004145500000000, 0.0001731400000000, -0.0000809300000000 ] - [ -0.0000686700000000, 0.0001285800000000, -0.0000925300000000 ] - [ -0.0000140700000000, -0.0000077800000000, -0.0002278100000000 ] - [ 0.1172279700000000, -0.2117666500000000, -0.0297010600000000 ] - [ 0.0002672600000000, 0.0004451700000000, 0.0005484600000000 ] - [ 0.0000586600000000, -0.0000617800000000, 0.0000129200000000 ] - [ -0.0000475500000000, 0.0003395700000000, 0.0001863900000000 ] - [ -0.0002171500000000, -0.0001609300000000, 0.0000513100000000 ] - [ 0.0000524100000000, 0.0000125800000000, -0.0001417700000000 ] - [ 0.0013740600000000, -0.0007210800000000, 0.0008963500000000 ] - [ -0.0000141300000000, 0.0002694900000000, -0.0002450300000000 ] - [ -0.0007017100000000, 0.0035109600000000, 0.0012458100000000 ] - [ -0.0014232300000000, -0.0016291800000000, 0.0012705300000000 ] - [ 0.0029314100000000, 0.0001874700000000, 0.0011711600000000 ] - [ -0.0004884100000000, 0.0000001300000000, 0.0006008600000000 ] - [ 0.0001537800000000, -0.0000083800000000, -0.0000898800000000 ] - [ -0.0006661800000000, -0.0005528600000000, -0.0000205700000000 ] - [ -0.0025344600000000, 0.0053175500000000, -0.0006341700000000 ] - [ -0.0000254900000000, 0.0000561300000000, -0.0001397900000000 ] - [ -0.0000693100000000, -0.0000307300000000, 0.0004599200000000 ] - [ 0.0005616800000000, 0.0003720100000000, 0.0003111300000000 ] - [ -0.0009815900000000, 0.0022903900000000, 0.0008907000000000 ] - [ -0.0010434200000000, 0.0028945700000000, 0.0101894800000000 ] - [ -0.0010297700000000, 0.0024211100000000, -0.0029547000000000 ] - [ -0.0001698300000000, 0.0003438100000000, 0.0000719500000000 ] - [ 0.0000054100000000, 0.0000262500000000, 0.0000712500000000 ] - [ -0.0000985200000000, 0.0000022800000000, -0.0000045600000000 ] - [ 0.0002339000000000, -0.0001805000000000, 0.0001142500000000 ] - [ -0.0027308000000000, -0.0013034700000000, -0.0000846500000000 ] - [ 0.0000783700000000, 0.0000955600000000, 0.0000083300000000 ] - [ 0.0000865800000000, -0.0001494400000000, 0.0000139500000000 ] - [ 0.0000019000000000, 0.0000128100000000, -0.0002286400000000 ] - [ 0.0000504700000000, 0.0000998000000000, -0.0000175700000000 ] - [ -0.0001046300000000, -0.0000384300000000, -0.0000308400000000 ] - [ 0.0042711000000000, -0.0010296200000000, -0.0059894300000000 ] - [ 0.0040385100000000, 0.0296420800000000, -0.0012790900000000 ] - [ -0.0000289100000000, -0.0000466700000000, -0.0001494800000000 ] - [ -0.0049044700000000, 0.0082014500000000, 0.0194080600000000 ] - [ 0.0000203400000000, -0.0000076000000000, -0.0002558600000000 ] - [ 0.0000589800000000, -0.0000629700000000, 0.0004662000000000 ] - [ -0.0006111100000000, 0.0012224500000000, 0.0017584500000000 ] - [ -0.0001182800000000, 0.0000066000000000, -0.0000042800000000 ] - [ 0.0000023900000000, 0.0000059200000000, 0.0002111800000000 ] - [ -0.0004467600000000, 0.0000340500000000, -0.0003090400000000 ] - [ 0.0003995900000000, 0.0004213200000000, 0.0005653100000000 ] - [ -0.0002214300000000, 0.0003235700000000, 0.0001760100000000 ] - [ -0.0002759400000000, 0.0001443800000000, -0.0003586900000000 ] - [ -0.0019591000000000, -0.0022445700000000, 0.0012308200000000 ] - [ 0.0009849500000000, 0.0005190700000000, 0.0000863900000000 ] - [ -0.0029390600000000, 0.0021793700000000, 0.0015567800000000 ] - [ 0.0015627400000000, 0.0005183000000000, 0.0011490400000000 ] - [ 0.0000559500000000, 0.0000501400000000, -0.0013429800000000 ] - [ -0.0006126300000000, -0.0002331800000000, 0.0002510000000000 ] - [ 0.0000513000000000, -0.0001185200000000, 0.0000035000000000 ] - [ -0.0295234700000000, 0.0165607600000000, 0.0002018300000000 ] - [ 0.0002384700000000, -0.0001435600000000, -0.0002042700000000 ] - [ -0.0001584000000000, 0.0001362300000000, -0.0001512600000000 ] - [ 0.0000067800000000, 0.0000934100000000, 0.0005100400000000 ] - [ -0.0001316800000000, -0.0003450200000000, -0.0006200000000000 ] - [ 0.0033453600000000, 0.0017467500000000, 0.0001240100000000 ] - [ -0.0000225900000000, -0.0000607200000000, -0.0001417000000000 ] - [ -0.0023221400000000, 0.0002928400000000, -0.0011711400000000 ] - [ -0.0002261000000000, -0.0003203300000000, 0.0000735200000000 ] - [ 0.0013992000000000, -0.0049297100000000, -0.0010260200000000 ] - [ 0.0001848000000000, -0.0000837900000000, 0.0002364400000000 ] - [ -0.0000548000000000, -0.0000196200000000, 0.0001430000000000 ] - [ -0.0003394500000000, -0.0062205000000000, -0.0046972700000000 ] - [ 0.0000034200000000, -0.0000047500000000, 0.0002142300000000 ] - [ 0.0000932200000000, -0.0000706100000000, -0.0000281100000000 ] - [ -0.0039356000000000, -0.0045440900000000, -0.0087679400000000 ] - [ 0.0001973600000000, 0.0000074300000000, -0.0001380600000000 ] - [ 0.0001257000000000, -0.0001715000000000, -0.0003529000000000 ] - [ 0.0007691300000000, 0.0013533500000000, -0.0016287400000000 ] - [ 0.0000571200000000, -0.0000030800000000, -0.0001504400000000 ] - [ -0.0023002400000000, 0.0043446400000000, 0.0001211200000000 ] - [ -0.0016207500000000, 0.0014969900000000, 0.0010626300000000 ] - [ -0.0000692300000000, 0.0001549600000000, -0.0000159100000000 ] - [ 0.0000842800000000, 0.0001066100000000, 0.0000493700000000 ] - [ -0.0002114300000000, -0.0002519500000000, -0.0000042000000000 ] - [ -0.0002143700000000, -0.0003183700000000, 0.0001820200000000 ] - [ 0.0004025900000000, -0.0000032800000000, 0.0001907400000000 ] - [ -0.0000078200000000, -0.0000160000000000, 0.0000845200000000 ] - [ -0.0010008800000000, 0.0036424800000000, -0.0001060700000000 ] - [ -0.0001065700000000, -0.0000754100000000, -0.0000168600000000 ] - [ -0.0162707100000000, 0.0073561400000000, -0.0007649600000000 ] - [ -0.0000101800000000, 0.0001756400000000, -0.0000263500000000 ] - [ -0.0002134800000000, 0.0008095000000000, -0.0004149400000000 ] - [ 0.0001656600000000, 0.0000491000000000, -0.0001386900000000 ] - [ 0.0000101200000000, 0.0001259600000000, -0.0000170300000000 ] - [ -0.0000781000000000, -0.0001191600000000, -0.0000871100000000 ] - [ -0.0011096900000000, 0.0023804700000000, -0.0014451000000000 ] - [ 0.0002918700000000, -0.0000115200000000, -0.0001520500000000 ] - [ 0.0000370000000000, -0.0001595100000000, -0.0001886600000000 ] - [ -0.0005858200000000, -0.0001495700000000, 0.0005701900000000 ] - [ 0.0003490400000000, 0.0000917600000000, -0.0006227600000000 ] - [ 0.0055191000000000, 0.0001471900000000, -0.0071888400000000 ] - [ -0.0001127000000000, 0.0000163300000000, -0.0000181800000000 ] - [ 0.0032060800000000, 0.0169438900000000, -0.0004713000000000 ] - [ -0.0000361300000000, 0.0000454200000000, -0.0001486600000000 ] - [ -0.0001293400000000, -0.0014177500000000, 0.0009398900000000 ] - [ 0.0007873400000000, 0.0021383600000000, -0.0012138600000000 ]- atom: 77 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0005152800000000, -0.0007953500000000, -0.0003241100000000 ] - [ 0.0000530300000000, -0.0000946900000000, 0.0004100400000000 ] - [ -0.0039630000000000, -0.0001552900000000, -0.0023166400000000 ] - [ 0.0003165700000000, -0.0008473000000000, -0.0004678600000000 ] - [ -0.0007018700000000, 0.0013564000000000, 0.0006446300000000 ] - [ 0.0000064000000000, 0.0000791000000000, -0.0001093700000000 ] - [ -0.0000126800000000, -0.0000034500000000, -0.0001429900000000 ] - [ 0.0016556500000000, 0.0022012000000000, 0.0012819800000000 ] - [ 0.0001912700000000, 0.0011589500000000, -0.0024218400000000 ] - [ -0.0028946300000000, -0.0004265000000000, 0.0008156600000000 ] - [ 0.0016249600000000, 0.0002955000000000, -0.0005263200000000 ] - [ -0.0000157600000000, 0.0000309300000000, 0.0002765900000000 ] - [ -0.0001281900000000, -0.0000852100000000, 0.0008647400000000 ] - [ 0.0048390500000000, 0.0069568000000000, -0.0023917600000000 ] - [ -0.0001964000000000, 0.0000923400000000, 0.0000304400000000 ] - [ 0.0000473500000000, -0.0000566800000000, 0.0000431300000000 ] - [ -0.0033491400000000, -0.0001738400000000, 0.0025129000000000 ] - [ 0.0000348700000000, -0.0000465100000000, -0.0002565100000000 ] - [ 0.0026346700000000, -0.0050220200000000, 0.0005756500000000 ] - [ -0.0026093100000000, 0.0048027000000000, -0.0003142400000000 ] - [ 0.0002536600000000, 0.0000360700000000, 0.0001632000000000 ] - [ -0.0039237300000000, 0.0063175100000000, -0.0033295200000000 ] - [ -0.0001173000000000, 0.0002373200000000, 0.0001791500000000 ] - [ 0.0022084900000000, 0.0028292400000000, 0.0023615200000000 ] - [ -0.0058361300000000, 0.0000006700000000, 0.0032500200000000 ] - [ -0.0001960400000000, -0.0001234500000000, 0.0001181000000000 ] - [ 0.0001340400000000, 0.0000529800000000, 0.0002812300000000 ] - [ -0.0000740900000000, -0.0000090800000000, -0.0002735500000000 ] - [ 0.0137200700000000, -0.0215492700000000, -0.0012023100000000 ] - [ -0.0011552700000000, -0.0008009100000000, -0.0003933300000000 ] - [ 0.0000244900000000, 0.0000183900000000, -0.0002393800000000 ] - [ 0.0021555400000000, -0.0027748900000000, 0.0016997600000000 ] - [ -0.0051516500000000, -0.0043670600000000, -0.0019922600000000 ] - [ 0.0011541800000000, 0.0005884700000000, -0.0001539700000000 ] - [ 0.0004389100000000, -0.0000880800000000, 0.0001249400000000 ] - [ -0.0000041800000000, 0.0000064400000000, 0.0001923400000000 ] - [ -0.0000805100000000, 0.0002768000000000, 0.0000517600000000 ] - [ -0.0039612900000000, 0.0098224700000000, 0.0042593800000000 ] - [ 0.0000067200000000, -0.0000055800000000, -0.0002727100000000 ] - [ 0.0000337500000000, -0.0000836900000000, 0.0001675300000000 ] - [ -0.0000950800000000, 0.0003340300000000, -0.0001612400000000 ] - [ -0.0001469400000000, 0.0000119400000000, 0.0000006900000000 ] - [ 0.0002699400000000, -0.0000197200000000, 0.0001807000000000 ] - [ 0.0018421100000000, -0.0042068200000000, 0.0015667300000000 ] - [ 0.0000062600000000, -0.0001216000000000, -0.0000474200000000 ] - [ 0.0000341100000000, 0.0000825600000000, -0.0002488100000000 ] - [ -0.0006722600000000, 0.0009085500000000, -0.0002277500000000 ] - [ -0.0001531400000000, 0.0002166500000000, 0.0001597200000000 ] - [ -0.0039390000000000, 0.0063932700000000, -0.0030531600000000 ] - [ 0.0000128400000000, -0.0000061700000000, -0.0008051800000000 ] - [ -0.0005958100000000, 0.0009267300000000, 0.0003964600000000 ] - [ 0.0000440100000000, -0.0006785100000000, 0.0001744500000000 ] - [ 0.0000698500000000, -0.0000987800000000, -0.0002050800000000 ] - [ 0.0030293500000000, 0.0047285000000000, 0.0035203800000000 ] - [ -0.0003514200000000, -0.0002513300000000, -0.0001246300000000 ] - [ 0.0507154200000000, -0.0957355600000000, -0.0313043000000000 ] - [ 0.0032746500000000, -0.0213458800000000, 0.0042130400000000 ] - [ 0.0000218800000000, 0.0000655400000000, -0.0002564700000000 ] - [ 0.0000435200000000, 0.0001211600000000, -0.0001726000000000 ] - [ 0.0000824600000000, 0.0001105700000000, -0.0000107800000000 ] - [ 0.0145802800000000, -0.0180968400000000, -0.0002459100000000 ] - [ -0.0000542200000000, -0.0000166200000000, -0.0002246900000000 ] - [ 0.0000409800000000, -0.0000800600000000, -0.0002720200000000 ] - [ -0.0000894600000000, -0.0000164800000000, -0.0002324900000000 ] - [ 0.0005091200000000, -0.0002479400000000, 0.0002891000000000 ] - [ -0.0001432100000000, -0.0002372900000000, 0.0001730900000000 ] - [ -0.0000933400000000, -0.0002372300000000, 0.0001585500000000 ] - [ -0.0002598800000000, -0.0000372200000000, -0.0007249000000000 ] - [ 0.0061072900000000, 0.0023368100000000, -0.0022483900000000 ] - [ -0.0000258100000000, -0.0000242300000000, 0.0002711300000000 ] - [ -0.0001777500000000, 0.0010793900000000, -0.0057517200000000 ] - [ -0.0000955100000000, 0.0001688700000000, -0.0000501300000000 ] - [ -0.0028054100000000, 0.0029630300000000, -0.0000219300000000 ] - [ -0.0002566900000000, -0.0003477400000000, 0.0002082000000000 ] - [ -0.0000789500000000, 0.0001276000000000, -0.0001745700000000 ] - [ -0.0000041200000000, -0.0000241600000000, -0.0003118600000000 ] - [ -0.1187658800000000, 0.2153313000000000, 0.0336328200000000 ] - [ -0.0002877200000000, -0.0004157400000000, -0.0000126200000000 ] - [ 0.0000520200000000, -0.0001184000000000, -0.0000815400000000 ] - [ 0.0002655900000000, 0.0000355600000000, -0.0001907900000000 ] - [ -0.0002296900000000, 0.0001595400000000, -0.0000528900000000 ] - [ 0.0000632700000000, -0.0000165100000000, -0.0002298300000000 ] - [ -0.0013121700000000, 0.0005021700000000, -0.0007748000000000 ] - [ 0.0002127600000000, -0.0001307200000000, -0.0001751400000000 ] - [ 0.0007255600000000, -0.0032842200000000, -0.0008159500000000 ] - [ 0.0013780100000000, 0.0017504700000000, -0.0009077200000000 ] - [ -0.0031488400000000, -0.0003131500000000, -0.0007537500000000 ] - [ 0.0004779000000000, -0.0000250600000000, -0.0000682500000000 ] - [ 0.0001418800000000, 0.0000086800000000, -0.0001770300000000 ] - [ 0.0013505000000000, 0.0005537400000000, 0.0003861900000000 ] - [ 0.0026037300000000, -0.0052300500000000, -0.0002257500000000 ] - [ -0.0000355100000000, 0.0000419300000000, -0.0002318100000000 ] - [ -0.0000582800000000, 0.0000279900000000, 0.0004083000000000 ] - [ -0.0006181500000000, -0.0004823300000000, 0.0000620400000000 ] - [ 0.0010984000000000, -0.0023071200000000, -0.0005280200000000 ] - [ 0.0010533700000000, -0.0029186200000000, -0.0106370700000000 ] - [ 0.0009762300000000, -0.0023334300000000, 0.0033197300000000 ] - [ -0.0001527900000000, 0.0002209900000000, -0.0000759700000000 ] - [ 0.0000245400000000, 0.0000252400000000, 0.0000123700000000 ] - [ -0.0001150600000000, -0.0000071800000000, -0.0000642000000000 ] - [ -0.0000132000000000, -0.0002074900000000, -0.0001163300000000 ] - [ 0.0027800100000000, 0.0013689000000000, 0.0000076200000000 ] - [ 0.0000826200000000, 0.0000833200000000, -0.0001401300000000 ] - [ 0.0000163000000000, -0.0000382400000000, -0.0000830200000000 ] - [ -0.0000189100000000, 0.0000163900000000, -0.0003127300000000 ] - [ 0.0000591400000000, 0.0000783600000000, -0.0000527000000000 ] - [ -0.0001262000000000, -0.0000094400000000, -0.0000989400000000 ] - [ -0.0039874700000000, 0.0009763700000000, 0.0063313100000000 ] - [ -0.0038777800000000, -0.0290116100000000, 0.0013519900000000 ] - [ -0.0000193300000000, -0.0000546600000000, -0.0002211800000000 ] - [ 0.0051738800000000, -0.0082316300000000, -0.0192053200000000 ] - [ 0.0000137500000000, 0.0000073500000000, -0.0002851200000000 ] - [ 0.0000029600000000, -0.0000488900000000, 0.0004020700000000 ] - [ 0.0007724900000000, -0.0010520200000000, -0.0016433000000000 ] - [ -0.0001126400000000, 0.0000420700000000, -0.0001277200000000 ] - [ -0.0000028600000000, -0.0000041900000000, 0.0001066500000000 ] - [ 0.0000444300000000, -0.0007378700000000, -0.0000132200000000 ] - [ -0.0003978200000000, -0.0004230200000000, -0.0005659500000000 ] - [ -0.0001883200000000, 0.0003714400000000, 0.0001409100000000 ] - [ -0.0001305000000000, 0.0005505500000000, 0.0000424100000000 ] - [ 0.0016317300000000, 0.0028468700000000, -0.0008630800000000 ] - [ -0.0007685400000000, -0.0006401300000000, 0.0003277500000000 ] - [ 0.0025998000000000, -0.0027918500000000, -0.0011826300000000 ] - [ -0.0017256000000000, -0.0002596200000000, -0.0008916600000000 ] - [ -0.0000600100000000, -0.0000445300000000, 0.0013308800000000 ] - [ 0.0007461500000000, 0.0002416800000000, 0.0001219300000000 ] - [ 0.0000229200000000, -0.0001056900000000, -0.0001334900000000 ] - [ 0.0289633100000000, -0.0163630900000000, -0.0002772900000000 ] - [ 0.0005673700000000, 0.0001365300000000, -0.0001166500000000 ] - [ -0.0001848600000000, 0.0004688500000000, -0.0002187300000000 ] - [ 0.0000536800000000, 0.0000113100000000, 0.0003584100000000 ] - [ 0.0001719200000000, 0.0003422700000000, 0.0011693300000000 ] - [ -0.0035683100000000, -0.0017587400000000, -0.0000512500000000 ] - [ -0.0000411100000000, -0.0000318100000000, -0.0002290800000000 ] - [ 0.0021989600000000, -0.0005101300000000, 0.0012075400000000 ] - [ -0.0000915000000000, -0.0002312400000000, -0.0000764900000000 ] - [ -0.0016392400000000, 0.0048890900000000, 0.0001706600000000 ] - [ 0.0000740300000000, 0.0000814100000000, -0.0002502900000000 ] - [ -0.0000011000000000, 0.0000203800000000, -0.0000603000000000 ] - [ 0.0003382300000000, 0.0061503300000000, 0.0051585100000000 ] - [ -0.0000014100000000, 0.0000050000000000, 0.0001036300000000 ] - [ 0.0000643200000000, -0.0001053700000000, -0.0001038400000000 ] - [ 0.0036371900000000, 0.0047404100000000, 0.0091374300000000 ] - [ 0.0004987700000000, -0.0000023900000000, -0.0002317400000000 ] - [ -0.0001106400000000, -0.0000694700000000, -0.0000659700000000 ] - [ -0.0007655800000000, -0.0013576500000000, 0.0012995200000000 ] - [ 0.0000597900000000, 0.0000069300000000, -0.0002231300000000 ] - [ 0.0024389600000000, -0.0045167300000000, -0.0000477400000000 ] - [ 0.0014863400000000, -0.0017590300000000, -0.0008119400000000 ] - [ -0.0000613900000000, 0.0000681000000000, 0.0000020600000000 ] - [ 0.0000153400000000, 0.0000773600000000, -0.0001192500000000 ] - [ -0.0001358400000000, -0.0003496500000000, -0.0003617600000000 ] - [ -0.0001889000000000, -0.0003811300000000, 0.0001369000000000 ] - [ 0.0004041100000000, -0.0000046600000000, 0.0001259600000000 ] - [ 0.0000368100000000, -0.0000321800000000, -0.0000016600000000 ] - [ 0.0010132800000000, -0.0037219000000000, 0.0000291300000000 ] - [ -0.0000240800000000, -0.0001506100000000, 0.0000045800000000 ] - [ 0.0163186700000000, -0.0074526700000000, 0.0008454900000000 ] - [ 0.0000301600000000, 0.0000656900000000, -0.0003918200000000 ] - [ 0.0002899700000000, -0.0005886300000000, 0.0005409000000000 ] - [ 0.0000402000000000, -0.0001784500000000, -0.0002753000000000 ] - [ 0.0000648800000000, 0.0001027000000000, -0.0001146000000000 ] - [ -0.0000694700000000, -0.0001368200000000, -0.0001794900000000 ] - [ 0.0013054300000000, -0.0022416400000000, 0.0018926000000000 ] - [ 0.0003595300000000, 0.0000143100000000, 0.0001507700000000 ] - [ -0.0002518300000000, 0.0000508300000000, -0.0002290600000000 ] - [ 0.0005840200000000, 0.0001453300000000, -0.0005712300000000 ] - [ -0.0005874800000000, -0.0001461700000000, 0.0007566600000000 ] - [ -0.0055232100000000, -0.0002799700000000, 0.0075538500000000 ] - [ -0.0000982900000000, -0.0000107600000000, -0.0000507200000000 ] - [ -0.0031620900000000, -0.0170100900000000, 0.0005535000000000 ] - [ -0.0000186300000000, 0.0000576200000000, -0.0002249700000000 ] - [ -0.0001024700000000, 0.0014795700000000, -0.0008186600000000 ] - [ -0.0009283600000000, -0.0019169800000000, 0.0012479000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014496500000000, 0.0004253400000000, -0.0024435100000000 ] - [ 0.0000821900000000, -0.0001349300000000, -0.0021040300000000 ] - [ -0.0014266100000000, 0.0011009400000000, 0.0032348700000000 ] - [ -0.0012258900000000, -0.0010580000000000, -0.0025797800000000 ] - [ 0.0002760800000000, -0.0003400600000000, -0.0011595800000000 ] - [ -0.0000380000000000, 0.0001546600000000, -0.0015967100000000 ] - [ 0.0000020000000000, -0.0000035100000000, -0.0015222700000000 ] - [ -0.0005055900000000, -0.0014574900000000, 0.0005991300000000 ] - [ -0.0024021300000000, 0.0053256400000000, -0.0019065600000000 ] - [ 0.0013433100000000, -0.0002912600000000, 0.0000642500000000 ] - [ -0.0006489100000000, -0.0001760100000000, 0.0041000200000000 ] - [ -0.0000545300000000, 0.0000911000000000, -0.0011548400000000 ] - [ 0.0000063000000000, -0.0001120100000000, -0.0007270200000000 ] - [ -0.0001664900000000, 0.0002719400000000, 0.0045275500000000 ] - [ 0.0000134300000000, 0.0000594400000000, -0.0013627500000000 ] - [ 0.0000525100000000, -0.0000095800000000, -0.0015290200000000 ] - [ 0.0043958800000000, -0.0001959800000000, -0.0015328000000000 ] - [ 0.0000352700000000, -0.0000560500000000, -0.0018172200000000 ] - [ 0.0004555500000000, -0.0007648500000000, -0.0080099000000000 ] - [ 0.0001263300000000, 0.0000198100000000, 0.0040288800000000 ] - [ 0.0002452000000000, 0.0001319600000000, -0.0014715800000000 ] - [ -0.0002929900000000, -0.0007470300000000, 0.0043184200000000 ] - [ 0.0000102700000000, 0.0002720300000000, -0.0014942900000000 ] - [ -0.0014191400000000, -0.0044846300000000, -0.0013319000000000 ] - [ 0.0005977900000000, -0.0006046600000000, 0.0047214200000000 ] - [ -0.0002797600000000, -0.0002960000000000, -0.0012608000000000 ] - [ 0.0000785800000000, -0.0000835200000000, -0.0013338300000000 ] - [ -0.0000153500000000, -0.0000022500000000, -0.0017944600000000 ] - [ -0.0003492900000000, 0.0013837300000000, 0.0250784300000000 ] - [ 0.0004577500000000, 0.0003896300000000, 0.0040438200000000 ] - [ 0.0000094100000000, -0.0000162700000000, -0.0018209900000000 ] - [ -0.0052954300000000, -0.0061077500000000, 0.0060542200000000 ] - [ -0.0045024200000000, 0.0003210600000000, 0.0072297500000000 ] - [ 0.0001263000000000, 0.0000403400000000, 0.0004712400000000 ] - [ 0.0003679800000000, -0.0000879200000000, -0.0014332400000000 ] - [ 0.0000356600000000, 0.0000207600000000, -0.0013236900000000 ] - [ -0.0001629800000000, 0.0004682600000000, -0.0013423600000000 ] - [ 0.0034543400000000, -0.0057121400000000, 0.0088115400000000 ] - [ -0.0000125800000000, 0.0000300700000000, -0.0018679100000000 ] - [ 0.0000538800000000, -0.0001513900000000, -0.0013855100000000 ] - [ -0.0000418200000000, 0.0000148100000000, -0.0010459000000000 ] - [ 0.0000798100000000, 0.0000617700000000, -0.0014084500000000 ] - [ 0.0002405600000000, -0.0001537000000000, -0.0014896100000000 ] - [ 0.0082091900000000, 0.0034417300000000, 0.0047028200000000 ] - [ -0.0001043700000000, 0.0000726400000000, -0.0014562100000000 ] - [ 0.0000081200000000, 0.0000077600000000, -0.0017620700000000 ] - [ 0.0002131600000000, 0.0000033700000000, 0.0003509300000000 ] - [ -0.0002340300000000, 0.0001641100000000, -0.0014877700000000 ] - [ 0.0006049000000000, -0.0002135900000000, 0.0044812100000000 ] - [ -0.0000625000000000, 0.0001203000000000, -0.0024607200000000 ] - [ 0.0003929100000000, -0.0002561100000000, -0.0008101800000000 ] - [ 0.0009073900000000, 0.0003513500000000, -0.0016523000000000 ] - [ 0.0000505700000000, -0.0001399000000000, -0.0018505900000000 ] - [ -0.0000798400000000, -0.0006033400000000, 0.0044863400000000 ] - [ -0.0003102200000000, -0.0001023400000000, -0.0011308800000000 ] - [ -0.0135948400000000, 0.0256349700000000, 0.0331728200000000 ] - [ 0.0116839700000000, 0.0020435600000000, 0.0147258700000000 ] - [ 0.0000292900000000, 0.0000747400000000, -0.0018183900000000 ] - [ 0.0000721500000000, 0.0001314700000000, -0.0017779000000000 ] - [ -0.0000334000000000, -0.0000835400000000, -0.0014173900000000 ] - [ -0.0027002100000000, -0.0015121900000000, 0.0223966700000000 ] - [ -0.0000702800000000, -0.0000148700000000, -0.0018558600000000 ] - [ 0.0000059100000000, -0.0000105500000000, -0.0017916800000000 ] - [ -0.0000911200000000, 0.0000251100000000, -0.0018885600000000 ] - [ -0.0008951600000000, -0.0008510200000000, -0.0015439700000000 ] - [ -0.0002421700000000, -0.0001464400000000, -0.0015186600000000 ] - [ -0.0000008900000000, -0.0002804100000000, -0.0014749800000000 ] - [ -0.0009150600000000, 0.0005891700000000, -0.0022026200000000 ] - [ 0.0015929000000000, 0.0042448800000000, 0.0068848600000000 ] - [ -0.0000626900000000, -0.0000753900000000, -0.0011942300000000 ] - [ -0.0030275800000000, 0.0061895000000000, -0.0036523700000000 ] - [ 0.0000421800000000, 0.0002164500000000, 0.0009945300000000 ] - [ -0.0000962500000000, -0.0003964300000000, -0.0071548500000000 ] - [ 0.0003561300000000, 0.0000154700000000, 0.0002240400000000 ] - [ -0.0000488700000000, 0.0000906300000000, 0.0009089900000000 ] - [ 0.0001032300000000, 0.0001918400000000, 0.0007014900000000 ] - [ 0.0034952200000000, -0.0355872600000000, -0.1396750400000000 ] - [ -0.0000675700000000, 0.0004387500000000, 0.0003389400000000 ] - [ 0.0000703200000000, -0.0001360100000000, 0.0009456000000000 ] - [ -0.0000034600000000, 0.0002725400000000, 0.0013164700000000 ] - [ -0.0003386100000000, -0.0001114100000000, 0.0015513900000000 ] - [ 0.0000494300000000, 0.0001602600000000, 0.0007694100000000 ] - [ 0.0006924900000000, 0.0009880800000000, 0.0023601100000000 ] - [ 0.0002650900000000, -0.0002257700000000, 0.0008871100000000 ] - [ -0.0001863300000000, 0.0024151500000000, -0.0016379300000000 ] - [ -0.0025351000000000, 0.0001333800000000, -0.0014521000000000 ] - [ 0.0017505000000000, 0.0019445900000000, -0.0013259400000000 ] - [ -0.0003876500000000, 0.0001224400000000, 0.0003557500000000 ] - [ 0.0000972300000000, 0.0000002900000000, 0.0009247100000000 ] - [ 0.0010816500000000, 0.0007867300000000, -0.0015113300000000 ] - [ -0.0000869100000000, 0.0003675700000000, -0.0036881300000000 ] - [ 0.0001170900000000, 0.0001189100000000, 0.0007769800000000 ] - [ -0.0000570100000000, 0.0000276700000000, 0.0016127900000000 ] - [ -0.0011399800000000, -0.0005691300000000, -0.0016363300000000 ] - [ 0.0000690800000000, 0.0013516500000000, -0.0016511400000000 ] - [ -0.0038533700000000, 0.0080515900000000, 0.0087890000000000 ] - [ 0.0017127800000000, -0.0022218600000000, -0.0017830000000000 ] - [ -0.0001601400000000, 0.0002959000000000, 0.0011063700000000 ] - [ 0.0000486200000000, 0.0000792800000000, 0.0011015400000000 ] - [ -0.0001366300000000, -0.0000030500000000, 0.0009653100000000 ] - [ 0.0002888300000000, -0.0000646500000000, 0.0014445100000000 ] - [ -0.0000396200000000, 0.0002103300000000, -0.0031927400000000 ] - [ 0.0001479300000000, -0.0000222900000000, 0.0010241900000000 ] - [ 0.0000716900000000, -0.0001379400000000, 0.0010343800000000 ] - [ 0.0001113400000000, -0.0001789600000000, 0.0006909200000000 ] - [ 0.0000829100000000, 0.0000915000000000, 0.0009792400000000 ] - [ -0.0000388100000000, -0.0001908500000000, 0.0010169500000000 ] - [ -0.0038387400000000, -0.0128855800000000, 0.0144697000000000 ] - [ 0.0008308300000000, 0.0011020100000000, -0.0078528600000000 ] - [ -0.0001558800000000, 0.0000465900000000, 0.0007708500000000 ] - [ -0.0119538600000000, 0.0195387900000000, 0.0156199000000000 ] - [ -0.0002324500000000, -0.0000089100000000, 0.0007515900000000 ] - [ 0.0000026000000000, -0.0000824500000000, 0.0016084400000000 ] - [ -0.0008891700000000, 0.0016912000000000, 0.0019451500000000 ] - [ -0.0000510400000000, 0.0001597500000000, 0.0010538800000000 ] - [ 0.0000007100000000, 0.0000031600000000, 0.0013559500000000 ] - [ 0.0000830100000000, -0.0004497700000000, 0.0002559300000000 ] - [ 0.0000544300000000, 0.0003735700000000, 0.0006342800000000 ] - [ -0.0001683800000000, 0.0003690800000000, 0.0009338700000000 ] - [ 0.0006270300000000, 0.0004073400000000, 0.0008355600000000 ] - [ -0.0026390200000000, -0.0003359400000000, -0.0012390200000000 ] - [ -0.0007548900000000, -0.0003392600000000, -0.0014638300000000 ] - [ -0.0018735000000000, 0.0008983100000000, -0.0015821600000000 ] - [ 0.0006614900000000, 0.0019149400000000, -0.0013272100000000 ] - [ 0.0004420400000000, -0.0009385500000000, 0.0026774700000000 ] - [ 0.0013927900000000, 0.0006320500000000, -0.0016361800000000 ] - [ -0.0001097000000000, -0.0001050200000000, 0.0010428000000000 ] - [ -0.0023448400000000, 0.0004765100000000, -0.0100405200000000 ] - [ 0.0000978700000000, -0.0001209300000000, 0.0002220900000000 ] - [ -0.0002137900000000, 0.0003301600000000, 0.0008275500000000 ] - [ 0.0000542000000000, 0.0000414800000000, 0.0015537400000000 ] - [ 0.0011172000000000, -0.0011267700000000, 0.0026310400000000 ] - [ -0.0000193400000000, 0.0000895800000000, -0.0027163900000000 ] - [ 0.0001156500000000, -0.0001161700000000, 0.0007901800000000 ] - [ 0.0008602200000000, -0.0007337000000000, -0.0023086300000000 ] - [ -0.0001027500000000, -0.0002446700000000, 0.0011583700000000 ] - [ 0.0000512000000000, -0.0004043900000000, -0.0082245500000000 ] - [ 0.0000676300000000, 0.0000820200000000, 0.0010133600000000 ] - [ -0.0001485800000000, 0.0000242000000000, 0.0011412300000000 ] - [ 0.0157711600000000, 0.0016860300000000, 0.0140239300000000 ] - [ 0.0000018500000000, -0.0000007800000000, 0.0013740200000000 ] - [ 0.0001712500000000, 0.0000641500000000, 0.0010128900000000 ] - [ 0.0146029900000000, -0.0007306700000000, 0.0124130300000000 ] - [ 0.0003973900000000, 0.0000003400000000, 0.0008274400000000 ] - [ -0.0002185800000000, -0.0001664100000000, 0.0009833100000000 ] - [ 0.0000021400000000, -0.0011303400000000, -0.0018693600000000 ] - [ 0.0000399800000000, -0.0001628200000000, 0.0007706200000000 ] - [ 0.0000420900000000, 0.0000005400000000, -0.0026883500000000 ] - [ -0.0007881400000000, 0.0004178600000000, -0.0014909500000000 ] - [ -0.0000447700000000, 0.0000475000000000, 0.0007791700000000 ] - [ 0.0000676400000000, 0.0001792900000000, 0.0009921900000000 ] - [ -0.0001459300000000, -0.0001726700000000, 0.0006301700000000 ] - [ -0.0001646000000000, -0.0003896300000000, 0.0009176500000000 ] - [ 0.0003830500000000, -0.0000132900000000, 0.0009024000000000 ] - [ 0.0000682500000000, -0.0000870300000000, 0.0010828500000000 ] - [ 0.0001537000000000, -0.0000410600000000, -0.0030609400000000 ] - [ -0.0000151000000000, -0.0001415500000000, 0.0007827800000000 ] - [ -0.0006472400000000, 0.0006282800000000, -0.0062962600000000 ] - [ -0.0000995200000000, 0.0001657700000000, 0.0006146100000000 ] - [ 0.0000219100000000, -0.0002744400000000, 0.0002347400000000 ] - [ 0.0000790000000000, -0.0001061900000000, 0.0007888700000000 ] - [ -0.0001274200000000, 0.0001110700000000, 0.0010006000000000 ] - [ -0.0000523700000000, -0.0000909200000000, 0.0009032900000000 ] - [ 0.0010435300000000, -0.0017197300000000, -0.0016967100000000 ] - [ 0.0004749600000000, -0.0000794200000000, 0.0015458100000000 ] - [ -0.0001216900000000, 0.0000196500000000, 0.0008199800000000 ] - [ -0.0003081200000000, 0.0001388500000000, 0.0006088300000000 ] - [ -0.0011801800000000, -0.0012876600000000, 0.0015933000000000 ] - [ -0.0065981400000000, -0.0120589400000000, 0.0106463300000000 ] - [ -0.0001230700000000, -0.0000164300000000, 0.0009799300000000 ] - [ -0.0002483800000000, 0.0012267200000000, -0.0062930000000000 ] - [ -0.0001645200000000, -0.0000443200000000, 0.0007774600000000 ] - [ -0.0013808500000000, -0.0001821000000000, 0.0021861800000000 ] - [ 0.0001651300000000, -0.0009449500000000, -0.0022977900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013846200000000, -0.0005250800000000, 0.0024447800000000 ] - [ -0.0000821500000000, 0.0001355800000000, 0.0021083700000000 ] - [ 0.0014246900000000, -0.0011085400000000, -0.0028629500000000 ] - [ 0.0011055200000000, 0.0010520400000000, 0.0025790000000000 ] - [ -0.0002149600000000, 0.0004405500000000, 0.0011667400000000 ] - [ 0.0000380800000000, -0.0001554300000000, 0.0015977800000000 ] - [ -0.0000019200000000, 0.0000035200000000, 0.0011202200000000 ] - [ 0.0004962200000000, 0.0014512200000000, -0.0002488600000000 ] - [ 0.0020992700000000, -0.0049367300000000, 0.0017080700000000 ] - [ -0.0013429400000000, 0.0002876200000000, -0.0008934600000000 ] - [ 0.0008002100000000, 0.0003855600000000, -0.0039874000000000 ] - [ 0.0000379500000000, -0.0000492500000000, 0.0015836000000000 ] - [ -0.0000082200000000, 0.0001082600000000, 0.0015749500000000 ] - [ 0.0001826100000000, -0.0002516900000000, -0.0039348400000000 ] - [ -0.0002621700000000, -0.0000847700000000, 0.0012845000000000 ] - [ 0.0000434200000000, 0.0002361300000000, 0.0014487500000000 ] - [ -0.0046280200000000, 0.0006824900000000, 0.0013374700000000 ] - [ 0.0000328500000000, -0.0000604100000000, 0.0011924700000000 ] - [ -0.0007645300000000, 0.0003457100000000, 0.0078481100000000 ] - [ -0.0000495800000000, 0.0001208100000000, -0.0034029900000000 ] - [ 0.0002755500000000, -0.0000647600000000, 0.0016714200000000 ] - [ 0.0000183300000000, 0.0002564300000000, -0.0043864600000000 ] - [ -0.0002126300000000, 0.0002126800000000, 0.0016942500000000 ] - [ 0.0019532000000000, 0.0044427800000000, 0.0011337200000000 ] - [ -0.0005215700000000, 0.0007274400000000, -0.0041347600000000 ] - [ 0.0000011700000000, -0.0001857900000000, 0.0013601500000000 ] - [ -0.0000849200000000, 0.0000807800000000, 0.0009997700000000 ] - [ -0.0001440400000000, -0.0000033200000000, 0.0011423500000000 ] - [ -0.0003409400000000, -0.0005021900000000, -0.0250835200000000 ] - [ -0.0007093500000000, -0.0003652600000000, -0.0039360600000000 ] - [ -0.0000082100000000, 0.0000202100000000, 0.0011972300000000 ] - [ 0.0053897300000000, 0.0059872300000000, -0.0054565800000000 ] - [ 0.0046430400000000, -0.0005195900000000, -0.0070971400000000 ] - [ -0.0003309700000000, -0.0005291300000000, -0.0006786700000000 ] - [ 0.0001902300000000, 0.0000869300000000, 0.0015339000000000 ] - [ 0.0000091200000000, -0.0000141900000000, 0.0017533000000000 ] - [ -0.0001165700000000, 0.0000152300000000, 0.0014435400000000 ] - [ -0.0033398000000000, 0.0054927700000000, -0.0086647500000000 ] - [ 0.0000153500000000, -0.0000266200000000, 0.0012440100000000 ] - [ 0.0000485300000000, -0.0000774000000000, 0.0013071400000000 ] - [ 0.0000253100000000, 0.0000274700000000, 0.0006161200000000 ] - [ -0.0003186000000000, -0.0000396000000000, 0.0013296900000000 ] - [ 0.0002798100000000, 0.0000832200000000, 0.0016898300000000 ] - [ -0.0084166900000000, -0.0034749300000000, -0.0040992100000000 ] - [ 0.0002424000000000, -0.0002684400000000, 0.0013772200000000 ] - [ 0.0000699400000000, 0.0001274900000000, 0.0011118200000000 ] - [ 0.0003082000000000, 0.0000644700000000, -0.0005583000000000 ] - [ -0.0000873200000000, 0.0002511100000000, 0.0016879300000000 ] - [ -0.0008480700000000, 0.0001823400000000, -0.0043727200000000 ] - [ 0.0000639600000000, -0.0001266200000000, 0.0021219600000000 ] - [ -0.0003004700000000, 0.0004229300000000, 0.0013756200000000 ] - [ -0.0011046300000000, -0.0003528900000000, 0.0022236400000000 ] - [ 0.0000455800000000, -0.0000250300000000, 0.0012862400000000 ] - [ 0.0001401400000000, 0.0004794200000000, -0.0038998300000000 ] - [ 0.0002918500000000, 0.0000682700000000, 0.0007045300000000 ] - [ 0.0137821400000000, -0.0259644300000000, -0.0323420300000000 ] - [ -0.0121798300000000, -0.0017996000000000, -0.0141446100000000 ] - [ 0.0000379100000000, 0.0000417900000000, 0.0011937900000000 ] - [ 0.0000231000000000, 0.0000336400000000, 0.0012129500000000 ] - [ 0.0001814500000000, 0.0002793500000000, 0.0013372700000000 ] - [ 0.0037464800000000, 0.0023815800000000, -0.0217590600000000 ] - [ -0.0000646600000000, 0.0000155100000000, 0.0012309800000000 ] - [ 0.0000690200000000, -0.0001301700000000, 0.0011396500000000 ] - [ -0.0001001500000000, -0.0000246300000000, 0.0013245400000000 ] - [ 0.0009957000000000, 0.0006905900000000, 0.0021142000000000 ] - [ -0.0000774900000000, -0.0002711000000000, 0.0017175100000000 ] - [ -0.0002007900000000, -0.0002053300000000, 0.0016735700000000 ] - [ 0.0009639200000000, -0.0005862200000000, 0.0017795000000000 ] - [ -0.0018735400000000, -0.0037647900000000, -0.0069339500000000 ] - [ 0.0000420200000000, 0.0000396600000000, 0.0016202100000000 ] - [ 0.0030210100000000, -0.0061725700000000, 0.0039838000000000 ] - [ -0.0002571900000000, -0.0001037600000000, -0.0014065200000000 ] - [ 0.0002295100000000, 0.0003274400000000, 0.0062794500000000 ] - [ -0.0001997300000000, -0.0001920700000000, -0.0000895100000000 ] - [ -0.0000989000000000, 0.0001654900000000, -0.0011748200000000 ] - [ -0.0001215000000000, -0.0002235200000000, -0.0012400600000000 ] - [ -0.0027893200000000, 0.0338698000000000, 0.1388608400000000 ] - [ 0.0000500200000000, -0.0004078100000000, 0.0002054700000000 ] - [ 0.0000398300000000, -0.0000440100000000, -0.0010136800000000 ] - [ 0.0002214500000000, 0.0001029200000000, -0.0013175600000000 ] - [ -0.0001076300000000, 0.0001094300000000, -0.0015530200000000 ] - [ 0.0000660500000000, -0.0001640000000000, -0.0011398500000000 ] - [ -0.0006224000000000, -0.0012195800000000, -0.0022394000000000 ] - [ -0.0000652900000000, 0.0003621500000000, -0.0013059400000000 ] - [ 0.0002060600000000, -0.0021653200000000, 0.0020401400000000 ] - [ 0.0024975300000000, -0.0000306800000000, 0.0018365400000000 ] - [ -0.0019594900000000, -0.0020463200000000, 0.0017274900000000 ] - [ 0.0003743700000000, -0.0001506600000000, 0.0001861000000000 ] - [ 0.0001982200000000, 0.0000001100000000, -0.0011904500000000 ] - [ -0.0003821100000000, -0.0007750200000000, 0.0018631300000000 ] - [ 0.0001491900000000, -0.0002666800000000, 0.0028174200000000 ] - [ -0.0001781500000000, -0.0000207000000000, -0.0011474600000000 ] - [ -0.0000703700000000, -0.0000300900000000, -0.0007433500000000 ] - [ 0.0010995500000000, 0.0004696400000000, 0.0020205900000000 ] - [ 0.0000456100000000, -0.0013647400000000, 0.0020398500000000 ] - [ 0.0039113700000000, -0.0081724500000000, -0.0092456000000000 ] - [ -0.0017842800000000, 0.0023273400000000, 0.0021757200000000 ] - [ -0.0001627100000000, 0.0002695900000000, -0.0011072800000000 ] - [ -0.0000185400000000, -0.0000272300000000, -0.0010171100000000 ] - [ -0.0000766100000000, -0.0000018400000000, -0.0010332200000000 ] - [ -0.0000685400000000, -0.0003244200000000, -0.0014452500000000 ] - [ 0.0000677500000000, -0.0001598500000000, 0.0031104300000000 ] - [ 0.0000130800000000, 0.0002008000000000, -0.0011549400000000 ] - [ 0.0000306400000000, -0.0000492000000000, -0.0011023600000000 ] - [ -0.0001283200000000, 0.0002079000000000, -0.0012311200000000 ] - [ 0.0000264500000000, 0.0000859600000000, -0.0010486100000000 ] - [ -0.0001920700000000, 0.0001429800000000, -0.0011459700000000 ] - [ 0.0042057700000000, 0.0130980500000000, -0.0144511100000000 ] - [ -0.0007358200000000, -0.0010315600000000, 0.0079201500000000 ] - [ 0.0001074200000000, -0.0001476200000000, -0.0011402500000000 ] - [ 0.0120288800000000, -0.0192323100000000, -0.0153251000000000 ] - [ 0.0002661300000000, 0.0000087400000000, -0.0012920100000000 ] - [ 0.0000586900000000, -0.0000293000000000, -0.0007390600000000 ] - [ 0.0010536400000000, -0.0015258400000000, -0.0018257800000000 ] - [ -0.0001797900000000, -0.0001112500000000, -0.0011853000000000 ] - [ -0.0000014300000000, -0.0000013600000000, -0.0010371600000000 ] - [ -0.0004886300000000, -0.0002502400000000, -0.0005732800000000 ] - [ -0.0000548300000000, -0.0003728800000000, -0.0006405200000000 ] - [ -0.0002417700000000, 0.0003252700000000, -0.0006172000000000 ] - [ -0.0010420100000000, 0.0002863500000000, -0.0011557500000000 ] - [ 0.0022900800000000, 0.0009411000000000, 0.0015902400000000 ] - [ 0.0009558000000000, 0.0002111200000000, 0.0018626900000000 ] - [ 0.0015202400000000, -0.0014978500000000, 0.0019270500000000 ] - [ -0.0008130600000000, -0.0016663700000000, 0.0016072300000000 ] - [ -0.0004420300000000, 0.0009342500000000, -0.0026747200000000 ] - [ -0.0012828300000000, -0.0006321900000000, 0.0020218300000000 ] - [ 0.0001835000000000, -0.0001192500000000, -0.0011719900000000 ] - [ 0.0024064100000000, -0.0005763600000000, 0.0099335400000000 ] - [ 0.0007100300000000, 0.0001135600000000, -0.0005377400000000 ] - [ -0.0001305900000000, 0.0002768000000000, -0.0011958300000000 ] - [ 0.0000061400000000, 0.0000627600000000, -0.0006850900000000 ] - [ -0.0010872900000000, 0.0011329000000000, -0.0020985800000000 ] - [ -0.0001942000000000, -0.0000955400000000, 0.0027866300000000 ] - [ -0.0001794000000000, 0.0000236600000000, -0.0011597600000000 ] - [ -0.0009874500000000, 0.0005010100000000, 0.0023092700000000 ] - [ -0.0002165200000000, -0.0003079300000000, -0.0011588300000000 ] - [ -0.0002660100000000, 0.0003488800000000, 0.0073498700000000 ] - [ 0.0001902300000000, -0.0000833000000000, -0.0010264900000000 ] - [ 0.0000915700000000, -0.0000230400000000, -0.0010577100000000 ] - [ -0.0160881000000000, -0.0017906200000000, -0.0138735500000000 ] - [ -0.0000000200000000, 0.0000009600000000, -0.0010550900000000 ] - [ -0.0000138000000000, -0.0002399300000000, -0.0011440700000000 ] - [ -0.0145771600000000, 0.0008407100000000, -0.0118039800000000 ] - [ 0.0003004600000000, 0.0000048000000000, -0.0011959000000000 ] - [ 0.0002325000000000, -0.0000743400000000, -0.0013991500000000 ] - [ -0.0000030300000000, 0.0011399900000000, 0.0015644900000000 ] - [ 0.0000765300000000, 0.0001664200000000, -0.0011429900000000 ] - [ 0.0000631300000000, -0.0001819000000000, 0.0027581900000000 ] - [ 0.0006450700000000, -0.0006770700000000, 0.0017708500000000 ] - [ -0.0000855900000000, 0.0001749700000000, -0.0007933000000000 ] - [ 0.0000315200000000, 0.0000049200000000, -0.0010610900000000 ] - [ -0.0002012600000000, -0.0004282900000000, -0.0009976500000000 ] - [ -0.0002391600000000, -0.0003092300000000, -0.0005988100000000 ] - [ 0.0004235300000000, 0.0000055000000000, -0.0005856900000000 ] - [ -0.0000387600000000, 0.0000382300000000, -0.0009994500000000 ] - [ -0.0001270200000000, -0.0000032100000000, 0.0029786900000000 ] - [ -0.0001153800000000, -0.0000849900000000, -0.0007953600000000 ] - [ 0.0003779800000000, -0.0005883000000000, 0.0063700700000000 ] - [ 0.0001186600000000, 0.0000757100000000, -0.0010343300000000 ] - [ 0.0000524200000000, 0.0005013800000000, -0.0001000000000000 ] - [ 0.0001257500000000, -0.0000245800000000, -0.0012020100000000 ] - [ 0.0002017800000000, 0.0001177100000000, -0.0011312400000000 ] - [ -0.0000953800000000, -0.0001650900000000, -0.0011686800000000 ] - [ -0.0008424900000000, 0.0018498500000000, 0.0020995400000000 ] - [ 0.0001754700000000, 0.0000831400000000, -0.0015488700000000 ] - [ -0.0000946200000000, -0.0001263700000000, -0.0012358300000000 ] - [ 0.0003058700000000, -0.0001402100000000, -0.0006154600000000 ] - [ 0.0009541800000000, 0.0012480900000000, -0.0014726300000000 ] - [ 0.0065032300000000, 0.0116440300000000, -0.0100761400000000 ] - [ -0.0000874400000000, 0.0000217400000000, -0.0010479600000000 ] - [ 0.0003594900000000, -0.0009843800000000, 0.0063733700000000 ] - [ 0.0001094900000000, 0.0001471400000000, -0.0011498200000000 ] - [ 0.0011566600000000, 0.0002329300000000, -0.0020641900000000 ] - [ -0.0002935400000000, 0.0011641300000000, 0.0022987200000000 ]- atom: 80 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000190300000000, -0.0000522300000000, 0.0000000000000000 ] - [ -0.0004235800000000, 0.0057753300000000, 0.0000000000000000 ] - [ 0.0000110200000000, -0.0003587200000000, 0.0006151600000000 ] - [ -0.0000634700000000, 0.0000064500000000, 0.0000000000000000 ] - [ 0.0000424700000000, 0.0000484000000000, 0.0000000000000000 ] - [ -0.0067353200000000, 0.0016745900000000, 0.0000000000000000 ] - [ 0.0000110200000000, -0.0003587200000000, -0.0006151600000000 ] - [ -0.0000089800000000, -0.0000027000000000, 0.0001434500000000 ] - [ -0.0009450500000000, 0.0036726100000000, -0.0022159800000000 ] - [ 0.0000074000000000, -0.0000125700000000, -0.0004164800000000 ] - [ -0.0000214000000000, 0.0001246600000000, 0.0000422600000000 ] - [ -0.0030883600000000, -0.0025450900000000, -0.0034034800000000 ] - [ 0.0000074000000000, -0.0000125700000000, 0.0004164800000000 ] - [ -0.0000281300000000, 0.0000041800000000, -0.0004242500000000 ] - [ -0.0000586200000000, -0.0000421400000000, -0.0001422700000000 ] - [ -0.0000047900000000, 0.0001334700000000, -0.0000574700000000 ] - [ 0.0029079300000000, 0.0020842400000000, 0.0010523100000000 ] - [ -0.0004688100000000, -0.0001424800000000, -0.0005939400000000 ] - [ -0.0006643900000000, 0.0009890800000000, 0.0002778400000000 ] - [ 0.0011731600000000, -0.0002368700000000, 0.0003600000000000 ] - [ -0.0005706600000000, -0.0026891900000000, 0.0027854200000000 ] - [ -0.0000422200000000, -0.0002665400000000, -0.0000760600000000 ] - [ 0.0029079300000000, 0.0020842400000000, -0.0010523100000000 ] - [ -0.0023815800000000, -0.0000133300000000, 0.0020663100000000 ] - [ 0.0002235900000000, -0.0001112900000000, 0.0001126200000000 ] - [ -0.0000422200000000, -0.0002665400000000, 0.0000760600000000 ] - [ -0.0000089800000000, -0.0000027000000000, -0.0001434500000000 ] - [ -0.0002186400000000, 0.0001987900000000, -0.0002884000000000 ] - [ -0.0001021600000000, 0.0003944400000000, 0.0001712200000000 ] - [ -0.0001375600000000, -0.0000545100000000, -0.0000072200000000 ] - [ -0.0000281300000000, 0.0000041800000000, 0.0004242500000000 ] - [ -0.0004323000000000, -0.0001784700000000, 0.0002632800000000 ] - [ 0.0000800900000000, -0.0000801900000000, 0.0000565600000000 ] - [ -0.0024345200000000, -0.0001517300000000, -0.0004407900000000 ] - [ 0.0002651800000000, 0.0001074400000000, 0.0000719900000000 ] - [ 0.0028443300000000, -0.0015495700000000, 0.0015167800000000 ] - [ -0.0002625400000000, 0.0002089000000000, 0.0000331000000000 ] - [ 0.0001305100000000, -0.0001189700000000, -0.0000226900000000 ] - [ 0.0000853700000000, 0.0000719600000000, -0.0009037300000000 ] - [ 0.0001305100000000, -0.0001189700000000, 0.0000226900000000 ] - [ -0.0030883600000000, -0.0025450900000000, 0.0034034800000000 ] - [ -0.0001375600000000, -0.0000545100000000, 0.0000072200000000 ] - [ -0.0023815800000000, -0.0000133300000000, -0.0020663100000000 ] - [ -0.0002186400000000, 0.0001987900000000, 0.0002884000000000 ] - [ 0.0000800900000000, -0.0000801900000000, -0.0000565600000000 ] - [ 0.0011731600000000, -0.0002368700000000, -0.0003600000000000 ] - [ -0.0005706600000000, -0.0026891900000000, -0.0027854200000000 ] - [ -0.0009450500000000, 0.0036726100000000, 0.0022159800000000 ] - [ -0.0000586200000000, -0.0000421400000000, 0.0001422700000000 ] - [ 0.0000077500000000, 0.0000056000000000, -0.0001874200000000 ] - [ 0.0236352700000000, 0.0014437000000000, -0.0144767400000000 ] - [ -0.0009438200000000, 0.0013672500000000, 0.0002976700000000 ] - [ -0.0019302300000000, -0.0009982100000000, 0.0000176700000000 ] - [ -0.0004688100000000, -0.0001424800000000, 0.0005939400000000 ] - [ -0.0003366100000000, -0.0021648500000000, -0.0014650900000000 ] - [ 0.0000853700000000, 0.0000719600000000, 0.0009037300000000 ] - [ -0.0000047900000000, 0.0001334700000000, 0.0000574700000000 ] - [ 0.0002235900000000, -0.0001112900000000, -0.0001126200000000 ] - [ 0.0236352700000000, 0.0014437000000000, 0.0144767400000000 ] - [ -0.0000214000000000, 0.0001246600000000, -0.0000422600000000 ] - [ 0.0002651800000000, 0.0001074400000000, -0.0000719900000000 ] - [ -0.0001021600000000, 0.0003944400000000, -0.0001712200000000 ] - [ -0.0004323000000000, -0.0001784700000000, -0.0002632800000000 ] - [ -0.0009438200000000, 0.0013672500000000, -0.0002976700000000 ] - [ -0.0019302300000000, -0.0009982100000000, -0.0000176700000000 ] - [ -0.0006643900000000, 0.0009890800000000, -0.0002778400000000 ] - [ -0.0024345200000000, -0.0001517300000000, 0.0004407900000000 ] - [ 0.0028443300000000, -0.0015495700000000, -0.0015167800000000 ] - [ -0.0002625400000000, 0.0002089000000000, -0.0000331000000000 ] - [ -0.0003366100000000, -0.0021648500000000, 0.0014650900000000 ] - [ 0.0000077500000000, 0.0000056000000000, 0.0001874200000000 ] - [ -0.0001151200000000, 0.0000477600000000, -0.0001979300000000 ] - [ 0.0001126900000000, -0.0000476500000000, -0.0004146200000000 ] - [ 0.0017296400000000, 0.0007466800000000, 0.0011703500000000 ] - [ 0.0006387300000000, 0.0000904200000000, 0.0000484900000000 ] - [ -0.0010646900000000, 0.0012674500000000, -0.0013347000000000 ] - [ 0.0000917700000000, -0.0002509500000000, -0.0000784800000000 ] - [ 0.0018069500000000, -0.0000422900000000, -0.0009086000000000 ] - [ -0.0000438800000000, 0.0000098800000000, -0.0001871900000000 ] - [ -0.0437716400000000, -0.0095122800000000, 0.0000000000000000 ] - [ 0.0002557000000000, -0.0025917200000000, 0.0000000000000000 ] - [ 0.0001774200000000, 0.0003865100000000, 0.0007536100000000 ] - [ 0.0013706900000000, -0.0005689900000000, -0.0004936800000000 ] - [ 0.0000781500000000, 0.0000750000000000, -0.0001923300000000 ] - [ -0.0000160400000000, 0.0001206700000000, 0.0002305100000000 ] - [ -0.0003190400000000, 0.0001918200000000, 0.0001971800000000 ] - [ -0.0000883800000000, -0.0000616500000000, 0.0002314500000000 ] - [ -0.0010646900000000, 0.0012674500000000, 0.0013347000000000 ] - [ 0.0002230000000000, -0.0005196000000000, -0.0002502800000000 ] - [ 0.0003564300000000, 0.0000187300000000, 0.0001733300000000 ] - [ -0.0001168500000000, 0.0000918200000000, -0.0004464500000000 ] - [ -0.0007069600000000, -0.0005789500000000, -0.0009811200000000 ] - [ -0.0000328000000000, -0.0000166600000000, 0.0004243000000000 ] - [ 0.0004933600000000, 0.0000444700000000, 0.0001885400000000 ] - [ 0.0001774200000000, 0.0003865100000000, -0.0007536100000000 ] - [ 0.0003759800000000, -0.0007815000000000, -0.0015331100000000 ] - [ -0.0007069600000000, -0.0005789500000000, 0.0009811200000000 ] - [ 0.0058773300000000, 0.0039522400000000, 0.0000000000000000 ] - [ -0.0000032600000000, 0.0001252800000000, 0.0000448800000000 ] - [ 0.0001033300000000, 0.0000113400000000, -0.0001639300000000 ] - [ 0.0028000500000000, 0.0011217100000000, 0.0000000000000000 ] - [ -0.0000032600000000, 0.0001252800000000, -0.0000448800000000 ] - [ -0.0008769200000000, -0.0031670900000000, 0.0083878800000000 ] - [ 0.0000917700000000, -0.0002509500000000, 0.0000784800000000 ] - [ 0.0018069500000000, -0.0000422900000000, 0.0009086000000000 ] - [ 0.0001604600000000, 0.0001126300000000, 0.0001672100000000 ] - [ 0.0012610600000000, -0.0012228400000000, -0.0009687800000000 ] - [ 0.0002230000000000, -0.0005196000000000, 0.0002502800000000 ] - [ 0.0000198400000000, -0.0000339000000000, 0.0002134100000000 ] - [ 0.0004933600000000, 0.0000444700000000, -0.0001885400000000 ] - [ 0.0001262500000000, -0.0000423100000000, 0.0000148400000000 ] - [ -0.0004655800000000, -0.0010993400000000, -0.0003961200000000 ] - [ 0.0001126900000000, -0.0000476500000000, 0.0004146200000000 ] - [ -0.0008769200000000, -0.0031670900000000, -0.0083878800000000 ] - [ -0.0004520200000000, -0.0012385200000000, 0.0004432800000000 ] - [ 0.0009757600000000, -0.0000381600000000, -0.0015316000000000 ] - [ -0.0017426300000000, 0.0053887300000000, -0.0047793100000000 ] - [ 0.0000009500000000, -0.0000000200000000, 0.0000000000000000 ] - [ 0.0000374200000000, 0.0013609500000000, -0.0002961900000000 ] - [ 0.0000374200000000, 0.0013609500000000, 0.0002961900000000 ] - [ -0.0001760400000000, 0.0003024500000000, 0.0001898200000000 ] - [ 0.0001182800000000, -0.0000562300000000, 0.0002267900000000 ] - [ -0.0001904100000000, -0.0002958500000000, 0.0001749100000000 ] - [ 0.0006387300000000, 0.0000904200000000, -0.0000484900000000 ] - [ -0.0000016400000000, -0.0000031900000000, 0.0000000000000000 ] - [ 0.0001287100000000, 0.0003313500000000, 0.0005958300000000 ] - [ 0.0013706900000000, -0.0005689900000000, 0.0004936800000000 ] - [ -0.0000904400000000, -0.0001025000000000, 0.0000133200000000 ] - [ 0.0010269600000000, 0.0014933600000000, -0.0004516400000000 ] - [ -0.0001760400000000, 0.0003024500000000, -0.0001898200000000 ] - [ -0.0001168500000000, 0.0000918200000000, 0.0004464500000000 ] - [ -0.0004655800000000, -0.0010993400000000, 0.0003961200000000 ] - [ 0.0001033300000000, 0.0000113400000000, 0.0001639300000000 ] - [ 0.0001117300000000, -0.0003083700000000, -0.0000812600000000 ] - [ -0.0000907000000000, -0.0000852600000000, 0.0000110100000000 ] - [ 0.0002784800000000, 0.0030203700000000, 0.0000000000000000 ] - [ -0.0000328000000000, -0.0000166600000000, -0.0004243000000000 ] - [ 0.0001262500000000, -0.0000423100000000, -0.0000148400000000 ] - [ -0.0000904400000000, -0.0001025000000000, -0.0000133200000000 ] - [ 0.0001117300000000, -0.0003083700000000, 0.0000812600000000 ] - [ 0.0003759800000000, -0.0007815000000000, 0.0015331100000000 ] - [ 0.0017296400000000, 0.0007466800000000, -0.0011703500000000 ] - [ -0.0001151200000000, 0.0000477600000000, 0.0001979300000000 ] - [ 0.0003564300000000, 0.0000187300000000, -0.0001733300000000 ] - [ 0.0000280900000000, -0.0001355700000000, -0.0001874900000000 ] - [ 0.0009757600000000, -0.0000381600000000, 0.0015316000000000 ] - [ 0.0001287100000000, 0.0003313500000000, -0.0005958300000000 ] - [ -0.0000438800000000, 0.0000098800000000, 0.0001871900000000 ] - [ -0.0013125300000000, 0.0003919500000000, 0.0003833500000000 ] - [ -0.0000165200000000, 0.0001192100000000, 0.0000169500000000 ] - [ 0.0000198400000000, -0.0000339000000000, -0.0002134100000000 ] - [ -0.0001904100000000, -0.0002958500000000, -0.0001749100000000 ] - [ -0.0017426300000000, 0.0053887300000000, 0.0047793100000000 ] - [ 0.0010269600000000, 0.0014933600000000, 0.0004516400000000 ] - [ 0.0001167500000000, 0.0000216300000000, 0.0001762700000000 ] - [ 0.0001167500000000, 0.0000216300000000, -0.0001762700000000 ] - [ -0.0000907000000000, -0.0000852600000000, -0.0000110100000000 ] - [ -0.0002470800000000, 0.0000422700000000, -0.0000041200000000 ] - [ -0.0000160400000000, 0.0001206700000000, -0.0002305100000000 ] - [ 0.0016705600000000, -0.0020012100000000, 0.0108938000000000 ] - [ 0.0001182800000000, -0.0000562300000000, -0.0002267900000000 ] - [ 0.0016705600000000, -0.0020012100000000, -0.0108938000000000 ] - [ -0.0013125300000000, 0.0003919500000000, -0.0003833500000000 ] - [ 0.0000781500000000, 0.0000750000000000, 0.0001923300000000 ] - [ -0.0012005900000000, -0.0018136400000000, 0.0000000000000000 ] - [ -0.0000883800000000, -0.0000616500000000, -0.0002314500000000 ] - [ -0.0000025000000000, 0.0000021500000000, 0.0000000000000000 ] - [ 0.0012610600000000, -0.0012228400000000, 0.0009687800000000 ] - [ 0.0000280900000000, -0.0001355700000000, 0.0001874900000000 ] - [ -0.0002470800000000, 0.0000422700000000, 0.0000041200000000 ] - [ 0.0001604600000000, 0.0001126300000000, -0.0001672100000000 ] - [ -0.0003190400000000, 0.0001918200000000, -0.0001971800000000 ] - [ -0.0004520200000000, -0.0012385200000000, -0.0004432800000000 ] - [ -0.0000165200000000, 0.0001192100000000, -0.0000169500000000 ]- atom: 80 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000391700000000, -0.0000479500000000, 0.0000000000000000 ] - [ 0.0003104600000000, -0.0056701700000000, 0.0000000000000000 ] - [ -0.0000126200000000, 0.0003568000000000, -0.0002097900000000 ] - [ -0.0000524700000000, -0.0000059400000000, 0.0000000000000000 ] - [ 0.0000167800000000, 0.0000542900000000, 0.0000000000000000 ] - [ 0.0070309600000000, -0.0017297600000000, 0.0000000000000000 ] - [ -0.0000126200000000, 0.0003568000000000, 0.0002097900000000 ] - [ 0.0000022300000000, 0.0000006400000000, 0.0001935000000000 ] - [ 0.0006398900000000, -0.0032685700000000, 0.0020178400000000 ] - [ -0.0000092800000000, 0.0000093800000000, -0.0004285400000000 ] - [ 0.0001693300000000, 0.0000712400000000, 0.0000387400000000 ] - [ 0.0030437000000000, 0.0026064200000000, 0.0038592800000000 ] - [ -0.0000092800000000, 0.0000093800000000, 0.0004285400000000 ] - [ 0.0000302400000000, 0.0000002100000000, 0.0010494000000000 ] - [ -0.0001901900000000, 0.0000161900000000, 0.0000618000000000 ] - [ 0.0001002700000000, 0.0000926000000000, -0.0000237600000000 ] - [ -0.0031071000000000, -0.0015838000000000, -0.0012429000000000 ] - [ 0.0005333300000000, 0.0000260600000000, -0.0000310600000000 ] - [ 0.0003452000000000, -0.0014075700000000, -0.0004787300000000 ] - [ -0.0010938600000000, 0.0003724300000000, 0.0002959800000000 ] - [ 0.0011078700000000, 0.0027634200000000, -0.0025868600000000 ] - [ -0.0002358200000000, -0.0002153500000000, -0.0000217200000000 ] - [ -0.0031071000000000, -0.0015838000000000, 0.0012429000000000 ] - [ 0.0028798200000000, -0.0000580200000000, -0.0022635100000000 ] - [ -0.0001552200000000, 0.0002289200000000, 0.0005138500000000 ] - [ -0.0002358200000000, -0.0002153500000000, 0.0000217200000000 ] - [ 0.0000022300000000, 0.0000006400000000, -0.0001935000000000 ] - [ 0.0000586000000000, -0.0002027000000000, -0.0003625600000000 ] - [ -0.0000310500000000, -0.0003952300000000, 0.0004546100000000 ] - [ -0.0001006700000000, 0.0000768500000000, 0.0000873000000000 ] - [ 0.0000302400000000, 0.0000002100000000, -0.0010494000000000 ] - [ 0.0005074500000000, 0.0000359800000000, 0.0003879300000000 ] - [ 0.0000584400000000, -0.0001147800000000, 0.0000236100000000 ] - [ 0.0022295000000000, -0.0003350500000000, 0.0002306300000000 ] - [ 0.0002932900000000, -0.0001081800000000, 0.0000283500000000 ] - [ -0.0027900000000000, 0.0015310000000000, -0.0011010800000000 ] - [ -0.0000175900000000, 0.0002741300000000, 0.0000673000000000 ] - [ -0.0000285200000000, -0.0001093800000000, 0.0001030900000000 ] - [ -0.0000826600000000, -0.0000679900000000, 0.0002770000000000 ] - [ -0.0000285200000000, -0.0001093800000000, -0.0001030900000000 ] - [ 0.0030437000000000, 0.0026064200000000, -0.0038592800000000 ] - [ -0.0001006700000000, 0.0000768500000000, -0.0000873000000000 ] - [ 0.0028798200000000, -0.0000580200000000, 0.0022635100000000 ] - [ 0.0000586000000000, -0.0002027000000000, 0.0003625600000000 ] - [ 0.0000584400000000, -0.0001147800000000, -0.0000236100000000 ] - [ -0.0010938600000000, 0.0003724300000000, -0.0002959800000000 ] - [ 0.0011078700000000, 0.0027634200000000, 0.0025868600000000 ] - [ 0.0006398900000000, -0.0032685700000000, -0.0020178400000000 ] - [ -0.0001901900000000, 0.0000161900000000, -0.0000618000000000 ] - [ -0.0000061100000000, -0.0000125100000000, -0.0001495600000000 ] - [ -0.0233133400000000, -0.0011712400000000, 0.0145829800000000 ] - [ 0.0007464500000000, -0.0013537700000000, 0.0002516200000000 ] - [ 0.0020255200000000, 0.0008171300000000, -0.0005709600000000 ] - [ 0.0005333300000000, 0.0000260600000000, 0.0000310600000000 ] - [ 0.0003166600000000, 0.0021325900000000, 0.0010375300000000 ] - [ -0.0000826600000000, -0.0000679900000000, -0.0002770000000000 ] - [ 0.0001002700000000, 0.0000926000000000, 0.0000237600000000 ] - [ -0.0001552200000000, 0.0002289200000000, -0.0005138500000000 ] - [ -0.0233133400000000, -0.0011712400000000, -0.0145829800000000 ] - [ 0.0001693300000000, 0.0000712400000000, -0.0000387400000000 ] - [ 0.0002932900000000, -0.0001081800000000, -0.0000283500000000 ] - [ -0.0000310500000000, -0.0003952300000000, -0.0004546100000000 ] - [ 0.0005074500000000, 0.0000359800000000, -0.0003879300000000 ] - [ 0.0007464500000000, -0.0013537700000000, -0.0002516200000000 ] - [ 0.0020255200000000, 0.0008171300000000, 0.0005709600000000 ] - [ 0.0003452000000000, -0.0014075700000000, 0.0004787300000000 ] - [ 0.0022295000000000, -0.0003350500000000, -0.0002306300000000 ] - [ -0.0027900000000000, 0.0015310000000000, 0.0011010800000000 ] - [ -0.0000175900000000, 0.0002741300000000, -0.0000673000000000 ] - [ 0.0003166600000000, 0.0021325900000000, -0.0010375300000000 ] - [ -0.0000061100000000, -0.0000125100000000, 0.0001495600000000 ] - [ -0.0001003400000000, 0.0000645700000000, -0.0002149800000000 ] - [ -0.0000508700000000, -0.0000629100000000, -0.0004541800000000 ] - [ -0.0015743300000000, -0.0009169800000000, -0.0010234100000000 ] - [ -0.0007842200000000, 0.0001658600000000, -0.0003168300000000 ] - [ 0.0010407900000000, -0.0013013500000000, 0.0007978900000000 ] - [ 0.0000099800000000, 0.0000630200000000, 0.0001460700000000 ] - [ -0.0018137400000000, 0.0000732700000000, 0.0014551000000000 ] - [ 0.0001524300000000, -0.0001901900000000, 0.0001197900000000 ] - [ 0.0433089900000000, 0.0096339400000000, 0.0000000000000000 ] - [ -0.0006973700000000, 0.0025709900000000, 0.0000000000000000 ] - [ -0.0000585100000000, -0.0003884100000000, -0.0011203700000000 ] - [ -0.0012924600000000, 0.0003441900000000, 0.0006297900000000 ] - [ 0.0001204300000000, 0.0000622800000000, -0.0002254500000000 ] - [ 0.0000353000000000, 0.0001197500000000, 0.0001871200000000 ] - [ 0.0002643400000000, -0.0000918300000000, 0.0001738800000000 ] - [ -0.0001271500000000, -0.0000455200000000, 0.0001846700000000 ] - [ 0.0010407900000000, -0.0013013500000000, -0.0007978900000000 ] - [ 0.0000701600000000, 0.0005188500000000, -0.0000168900000000 ] - [ 0.0003406900000000, -0.0000135800000000, 0.0001939100000000 ] - [ 0.0001777700000000, 0.0000138300000000, -0.0004233000000000 ] - [ 0.0006452200000000, 0.0006784100000000, 0.0006125600000000 ] - [ -0.0000941300000000, 0.0000146700000000, 0.0004444800000000 ] - [ -0.0005400100000000, -0.0001452500000000, 0.0001834000000000 ] - [ -0.0000585100000000, -0.0003884100000000, 0.0011203700000000 ] - [ -0.0003721100000000, 0.0007773900000000, 0.0012094600000000 ] - [ 0.0006452200000000, 0.0006784100000000, -0.0006125600000000 ] - [ -0.0062289300000000, -0.0034239600000000, 0.0000000000000000 ] - [ 0.0000338300000000, -0.0000721100000000, 0.0000396700000000 ] - [ -0.0003168100000000, -0.0000170200000000, 0.0000957900000000 ] - [ -0.0025718500000000, -0.0014899200000000, 0.0000000000000000 ] - [ 0.0000338300000000, -0.0000721100000000, -0.0000396700000000 ] - [ 0.0010774800000000, 0.0033477400000000, -0.0085221300000000 ] - [ 0.0000099800000000, 0.0000630200000000, -0.0001460700000000 ] - [ -0.0018137400000000, 0.0000732700000000, -0.0014551000000000 ] - [ -0.0000506100000000, 0.0000647000000000, -0.0002361800000000 ] - [ -0.0014970900000000, 0.0011700000000000, 0.0008214700000000 ] - [ 0.0000701600000000, 0.0005188500000000, 0.0000168900000000 ] - [ 0.0000788500000000, 0.0002174500000000, -0.0001443000000000 ] - [ -0.0005400100000000, -0.0001452500000000, -0.0001834000000000 ] - [ 0.0001323600000000, 0.0000409200000000, -0.0000013200000000 ] - [ 0.0004934900000000, 0.0011034500000000, -0.0001413000000000 ] - [ -0.0000508700000000, -0.0000629100000000, 0.0004541800000000 ] - [ 0.0010774800000000, 0.0033477400000000, 0.0085221300000000 ] - [ 0.0002225900000000, 0.0012808700000000, -0.0005813000000000 ] - [ -0.0009819100000000, 0.0000402300000000, 0.0018519800000000 ] - [ 0.0013829400000000, -0.0060846500000000, 0.0044582100000000 ] - [ -0.0000017800000000, -0.0000010400000000, 0.0000000000000000 ] - [ -0.0004478400000000, -0.0006572700000000, 0.0006127600000000 ] - [ -0.0004478400000000, -0.0006572700000000, -0.0006127600000000 ] - [ -0.0001680900000000, 0.0003039000000000, 0.0001774900000000 ] - [ 0.0000866900000000, -0.0000741100000000, 0.0001861600000000 ] - [ -0.0001567300000000, -0.0003053500000000, 0.0001893000000000 ] - [ -0.0007842200000000, 0.0001658600000000, 0.0003168300000000 ] - [ 0.0000011300000000, 0.0000020000000000, 0.0000000000000000 ] - [ -0.0000154400000000, -0.0003272500000000, -0.0002239700000000 ] - [ -0.0012924600000000, 0.0003441900000000, -0.0006297900000000 ] - [ 0.0000323900000000, 0.0001034800000000, -0.0000973000000000 ] - [ -0.0002107600000000, -0.0015052400000000, 0.0001416000000000 ] - [ -0.0001680900000000, 0.0003039000000000, -0.0001774900000000 ] - [ 0.0001777700000000, 0.0000138300000000, 0.0004233000000000 ] - [ 0.0004934900000000, 0.0011034500000000, 0.0001413000000000 ] - [ -0.0003168100000000, -0.0000170200000000, -0.0000957900000000 ] - [ -0.0001746900000000, 0.0002171700000000, -0.0002881200000000 ] - [ -0.0000405300000000, -0.0001418900000000, 0.0000016100000000 ] - [ -0.0006057400000000, -0.0035682600000000, 0.0000000000000000 ] - [ -0.0000941300000000, 0.0000146700000000, -0.0004444800000000 ] - [ 0.0001323600000000, 0.0000409200000000, 0.0000013200000000 ] - [ 0.0000323900000000, 0.0001034800000000, 0.0000973000000000 ] - [ -0.0001746900000000, 0.0002171700000000, 0.0002881200000000 ] - [ -0.0003721100000000, 0.0007773900000000, -0.0012094600000000 ] - [ -0.0015743300000000, -0.0009169800000000, 0.0010234100000000 ] - [ -0.0001003400000000, 0.0000645700000000, 0.0002149800000000 ] - [ 0.0003406900000000, -0.0000135800000000, -0.0001939100000000 ] - [ -0.0000131800000000, -0.0001046100000000, -0.0002286200000000 ] - [ -0.0009819100000000, 0.0000402300000000, -0.0018519800000000 ] - [ -0.0000154400000000, -0.0003272500000000, 0.0002239700000000 ] - [ 0.0001524300000000, -0.0001901900000000, -0.0001197900000000 ] - [ 0.0011634500000000, -0.0006488900000000, -0.0001216100000000 ] - [ -0.0001139500000000, 0.0001040900000000, -0.0000306000000000 ] - [ 0.0000788500000000, 0.0002174500000000, 0.0001443000000000 ] - [ -0.0001567300000000, -0.0003053500000000, -0.0001893000000000 ] - [ 0.0013829400000000, -0.0060846500000000, -0.0044582100000000 ] - [ -0.0002107600000000, -0.0015052400000000, -0.0001416000000000 ] - [ -0.0000865500000000, -0.0000712800000000, -0.0000923500000000 ] - [ -0.0000865500000000, -0.0000712800000000, 0.0000923500000000 ] - [ -0.0000405300000000, -0.0001418900000000, -0.0000016100000000 ] - [ 0.0000364900000000, -0.0000383200000000, 0.0000712800000000 ] - [ 0.0000353000000000, 0.0001197500000000, -0.0001871200000000 ] - [ -0.0016250900000000, 0.0022252600000000, -0.0107362400000000 ] - [ 0.0000866900000000, -0.0000741100000000, -0.0001861600000000 ] - [ -0.0016250900000000, 0.0022252600000000, 0.0107362400000000 ] - [ 0.0011634500000000, -0.0006488900000000, 0.0001216100000000 ] - [ 0.0001204300000000, 0.0000622800000000, 0.0002254500000000 ] - [ 0.0018407000000000, 0.0018415100000000, 0.0000000000000000 ] - [ -0.0001271500000000, -0.0000455200000000, -0.0001846700000000 ] - [ 0.0000013200000000, -0.0000040700000000, 0.0000000000000000 ] - [ -0.0014970900000000, 0.0011700000000000, -0.0008214700000000 ] - [ -0.0000131800000000, -0.0001046100000000, 0.0002286200000000 ] - [ 0.0000364900000000, -0.0000383200000000, -0.0000712800000000 ] - [ -0.0000506100000000, 0.0000647000000000, 0.0002361800000000 ] - [ 0.0002643400000000, -0.0000918300000000, -0.0001738800000000 ] - [ 0.0002225900000000, 0.0012808700000000, 0.0005813000000000 ] - [ -0.0001139500000000, 0.0001040900000000, 0.0000306000000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000291900000000, -0.0000500800000000, -0.0028818800000000 ] - [ 0.0000022400000000, -0.0000030400000000, 0.0128774200000000 ] - [ 0.0003672600000000, 0.0006361100000000, -0.0012688400000000 ] - [ -0.0000579700000000, 0.0000002300000000, -0.0028818800000000 ] - [ 0.0000296500000000, 0.0000513600000000, -0.0029368400000000 ] - [ -0.0000037600000000, 0.0000004200000000, 0.0128774200000000 ] - [ -0.0003663300000000, -0.0006344900000000, -0.0016765700000000 ] - [ -0.0000419700000000, 0.0000062500000000, -0.0020257000000000 ] - [ -0.0036723300000000, 0.0060107500000000, -0.0030098700000000 ] - [ 0.0000134700000000, 0.0000233200000000, -0.0025700200000000 ] - [ 0.0002068400000000, 0.0003451600000000, -0.0018018800000000 ] - [ -0.0068163800000000, -0.0006291200000000, 0.0058891400000000 ] - [ -0.0000152200000000, -0.0000263700000000, -0.0017256200000000 ] - [ -0.0002126100000000, 0.0000738800000000, -0.0021005700000000 ] - [ -0.0000337100000000, -0.0000709200000000, -0.0020547900000000 ] - [ -0.0000996300000000, -0.0001254000000000, -0.0018834500000000 ] - [ -0.0016094600000000, -0.0059225700000000, -0.0035200500000000 ] - [ -0.0007684100000000, -0.0001264100000000, -0.0021590900000000 ] - [ 0.0002529100000000, -0.0004868200000000, 0.0001390800000000 ] - [ 0.0003302300000000, 0.0005719700000000, -0.0033563300000000 ] - [ 0.0048210500000000, 0.0044021600000000, -0.0033135100000000 ] - [ -0.0000750300000000, -0.0001299500000000, -0.0021122700000000 ] - [ 0.0014018600000000, 0.0063762300000000, -0.0033135100000000 ] - [ 0.0070416300000000, -0.0001749600000000, -0.0030098700000000 ] - [ -0.0004662800000000, -0.0008076300000000, -0.0019538800000000 ] - [ -0.0002033100000000, -0.0003521400000000, -0.0020131100000000 ] - [ 0.0000349100000000, -0.0000082000000000, -0.0023629800000000 ] - [ -0.0000227100000000, 0.0001657200000000, -0.0015548200000000 ] - [ -0.0004103800000000, 0.0007322500000000, -0.0015313100000000 ] - [ -0.0004361300000000, -0.0001105300000000, -0.0018442200000000 ] - [ 0.0002130000000000, -0.0000686900000000, -0.0027245200000000 ] - [ -0.0000809000000000, -0.0002048500000000, -0.0008973900000000 ] - [ 0.0001223400000000, -0.0004329600000000, -0.0018442200000000 ] - [ -0.0005480500000000, -0.0000243800000000, 0.0001390800000000 ] - [ 0.0005421100000000, -0.0000403700000000, -0.0017960400000000 ] - [ 0.0028633500000000, -0.0062177200000000, 0.0058891400000000 ] - [ -0.0003060200000000, 0.0004493000000000, -0.0017960400000000 ] - [ 0.0001464500000000, -0.0001625600000000, -0.0019751900000000 ] - [ -0.0001659800000000, 0.0001501200000000, -0.0027245200000000 ] - [ -0.0000445600000000, -0.0000646500000000, -0.0020547900000000 ] - [ 0.0068054000000000, 0.0006702800000000, 0.0054996100000000 ] - [ 0.0001973200000000, 0.0001319400000000, -0.0019244200000000 ] - [ -0.0064919100000000, 0.0001060700000000, -0.0028089400000000 ] - [ -0.0001369600000000, -0.0001724900000000, -0.0008973900000000 ] - [ 0.0000156000000000, 0.0002368500000000, -0.0019244200000000 ] - [ -0.0002494600000000, -0.0004320800000000, -0.0040001000000000 ] - [ -0.0043243700000000, -0.0043551200000000, -0.0035200500000000 ] - [ 0.0033378200000000, -0.0055691300000000, -0.0028089400000000 ] - [ -0.0002140100000000, 0.0000455500000000, -0.0019751900000000 ] - [ -0.0000245600000000, 0.0000261400000000, -0.0023629800000000 ] - [ -0.0148587100000000, -0.0257360500000000, 0.1572855700000000 ] - [ -0.0000406600000000, -0.0002287900000000, 0.0047348500000000 ] - [ 0.0002729800000000, -0.0000176200000000, 0.0041459300000000 ] - [ 0.0008393300000000, 0.0000107300000000, -0.0015313100000000 ] - [ -0.0007689100000000, -0.0013318000000000, 0.0049908700000000 ] - [ 0.0001702900000000, -0.0001471900000000, -0.0021005700000000 ] - [ 0.0001955000000000, 0.0003517000000000, -0.0018018800000000 ] - [ 0.0005306400000000, 0.0009190900000000, -0.0025785000000000 ] - [ 0.0136819700000000, 0.0236978600000000, 0.1469527500000000 ] - [ -0.0000587900000000, -0.0001489800000000, -0.0018834500000000 ] - [ 0.0000160000000000, 0.0000397400000000, -0.0018961100000000 ] - [ 0.0002747400000000, -0.0007286700000000, -0.0021590900000000 ] - [ 0.0001548700000000, 0.0000631900000000, -0.0015548200000000 ] - [ -0.0001517400000000, 0.0002276000000000, 0.0041459300000000 ] - [ -0.0001778100000000, -0.0001496100000000, 0.0047348500000000 ] - [ -0.0005702400000000, 0.0000663100000000, 0.0003240700000000 ] - [ 0.0003425400000000, -0.0004606900000000, 0.0003240700000000 ] - [ -0.0028222200000000, 0.0062287900000000, 0.0054996100000000 ] - [ 0.0000264200000000, 0.0000337300000000, -0.0018961100000000 ] - [ 0.0007452500000000, 0.0012908100000000, 0.0053835700000000 ] - [ 0.0000263900000000, -0.0000332200000000, -0.0020257000000000 ] - [ -0.0000333400000000, 0.0001253800000000, 0.0011992700000000 ] - [ 0.0000500200000000, -0.0000146000000000, 0.0009628400000000 ] - [ 0.0019426300000000, 0.0006730000000000, -0.0017332100000000 ] - [ 0.0001811200000000, -0.0000804500000000, 0.0003863700000000 ] - [ -0.0021626500000000, -0.0037458200000000, -0.0002891300000000 ] - [ -0.0000524900000000, 0.0000643900000000, 0.0013501500000000 ] - [ -0.0021704200000000, -0.0006681100000000, -0.0006080100000000 ] - [ -0.0001000800000000, -0.0002398700000000, 0.0015182400000000 ] - [ 0.0014050600000000, 0.0024336400000000, -0.3837009300000000 ] - [ -0.0002259900000000, -0.0000002100000000, -0.0044204800000000 ] - [ 0.0012384600000000, 0.0008280400000000, 0.0020943500000000 ] - [ -0.0016287800000000, 0.0008385000000000, -0.0018577200000000 ] - [ 0.0001929400000000, -0.0000689400000000, 0.0012637800000000 ] - [ 0.0001754200000000, 0.0001078400000000, 0.0016809000000000 ] - [ -0.0000349400000000, 0.0008712200000000, 0.0010513000000000 ] - [ -0.0001456400000000, 0.0000447300000000, 0.0016050400000000 ] - [ 0.0021588900000000, 0.0037393100000000, 0.0002454200000000 ] - [ -0.0001602300000000, 0.0001166300000000, 0.0003863700000000 ] - [ 0.0004795900000000, -0.0000077000000000, 0.0015683200000000 ] - [ -0.0000052800000000, -0.0000091400000000, 0.0014610500000000 ] - [ 0.0000978700000000, 0.0014865600000000, 0.0020943500000000 ] - [ -0.0000891800000000, -0.0000374800000000, 0.0018342700000000 ] - [ 0.0000021900000000, -0.0003236100000000, 0.0007275000000000 ] - [ -0.0011284000000000, -0.0008364600000000, 0.0024700400000000 ] - [ -0.0012002100000000, 0.0018815700000000, 0.0025095400000000 ] - [ -0.0001601900000000, -0.0013954500000000, 0.0024700400000000 ] - [ -0.0001491300000000, 0.0002945500000000, -0.0072242000000000 ] - [ 0.0000437800000000, 0.0000758400000000, 0.0014064900000000 ] - [ -0.0002950000000000, 0.0000074200000000, 0.0012837200000000 ] - [ 0.0001128100000000, -0.0001958200000000, -0.0044204800000000 ] - [ -0.0000132700000000, -0.0000229900000000, 0.0013204000000000 ] - [ 0.0096171400000000, -0.0072958000000000, 0.0150984600000000 ] - [ 0.0001539300000000, -0.0002517700000000, 0.0012837200000000 ] - [ 0.0021460900000000, 0.0006917700000000, -0.0011370300000000 ] - [ 0.0002728300000000, 0.0000959900000000, 0.0014106500000000 ] - [ -0.0017622100000000, 0.0009375500000000, -0.0019710300000000 ] - [ 0.0004567700000000, -0.0001167500000000, 0.0006475000000000 ] - [ 0.0001531400000000, -0.0001011700000000, 0.0014790400000000 ] - [ -0.0000511300000000, 0.0002222000000000, 0.0003620300000000 ] - [ 0.0001492000000000, -0.0000179400000000, 0.0011785000000000 ] - [ -0.0004739600000000, 0.0022044500000000, -0.0011370300000000 ] - [ 0.0000121300000000, -0.0000959700000000, 0.0018342700000000 ] - [ -0.0095777400000000, 0.0075499700000000, 0.0153937600000000 ] - [ 0.0001561700000000, -0.0019595000000000, -0.0018494700000000 ] - [ -0.0022177800000000, 0.0000999100000000, 0.0028216000000000 ] - [ -0.0069548500000000, -0.0120461500000000, 0.0038280600000000 ] - [ -0.0000003400000000, -0.0000005200000000, 0.0021178100000000 ] - [ -0.0005755700000000, 0.0015604900000000, -0.0019980700000000 ] - [ 0.0001680200000000, -0.0008662300000000, -0.0023270300000000 ] - [ -0.0002464600000000, 0.0004114900000000, 0.0015683200000000 ] - [ 0.0000803500000000, -0.0001635900000000, 0.0016110100000000 ] - [ -0.0002732500000000, -0.0004732900000000, 0.0016292600000000 ] - [ -0.0003295000000000, 0.0003372000000000, 0.0006475000000000 ] - [ -0.0000002800000000, -0.0000005500000000, 0.0021178100000000 ] - [ 0.0007719700000000, 0.0004053500000000, 0.0010513000000000 ] - [ 0.0016930400000000, -0.0010573500000000, -0.0019710300000000 ] - [ 0.0000285800000000, -0.0002158600000000, 0.0014433000000000 ] - [ -0.0008341900000000, -0.0002876000000000, -0.0023270300000000 ] - [ -0.0000975100000000, 0.0001944900000000, 0.0012023900000000 ] - [ 0.0000660600000000, 0.0001144200000000, 0.0023297400000000 ] - [ 0.0005066000000000, -0.0022136900000000, -0.0006080100000000 ] - [ 0.0000820000000000, -0.0000132600000000, 0.0013501500000000 ] - [ 0.0002180000000000, 0.0000668200000000, 0.0003620300000000 ] - [ -0.0000523300000000, -0.0000906300000000, 0.0012013000000000 ] - [ -0.0001680400000000, -0.0002910500000000, -0.0059449100000000 ] - [ -0.0000376500000000, 0.0000360200000000, 0.0009628400000000 ] - [ 0.0001094400000000, 0.0000164700000000, 0.0011665400000000 ] - [ -0.0000859600000000, 0.0002154200000000, 0.0015278600000000 ] - [ -0.0002813400000000, -0.0001599100000000, 0.0007275000000000 ] - [ 0.0011954100000000, -0.0018707000000000, 0.0028216000000000 ] - [ -0.0017750600000000, -0.0008445100000000, -0.0018494700000000 ] - [ -0.0001818500000000, -0.0000122100000000, 0.0016110100000000 ] - [ 0.0002171900000000, 0.0000128000000000, 0.0012023900000000 ] - [ -0.0000973500000000, -0.0001362600000000, 0.0011901800000000 ] - [ 0.0022296000000000, -0.0000986300000000, 0.0025095400000000 ] - [ -0.0006521200000000, -0.0004012600000000, 0.0006817100000000 ] - [ 0.0002103700000000, 0.0000596300000000, 0.0015858800000000 ] - [ 0.0005096200000000, 0.0008826800000000, 0.0029972800000000 ] - [ -0.0000404600000000, 0.0001030200000000, 0.0011665400000000 ] - [ -0.0000532900000000, 0.0002842700000000, 0.0014106500000000 ] - [ -0.0000739400000000, -0.0001280600000000, 0.0012659100000000 ] - [ 0.0065151900000000, 0.0112846500000000, 0.0041582200000000 ] - [ 0.0016392000000000, 0.0002817900000000, -0.0019980700000000 ] - [ 0.0002295400000000, 0.0000332700000000, 0.0015278600000000 ] - [ -0.0002012400000000, -0.0000831800000000, 0.0014433000000000 ] - [ -0.0000786200000000, -0.0001361800000000, 0.0011901000000000 ] - [ -0.0000535400000000, 0.0002120000000000, 0.0015858800000000 ] - [ -0.0001561700000000, 0.0001326200000000, 0.0012637800000000 ] - [ 0.0113273300000000, -0.0045195800000000, 0.0153937600000000 ] - [ 0.0001252500000000, 0.0000338200000000, 0.0011992700000000 ] - [ -0.0111269200000000, 0.0046807900000000, 0.0150984600000000 ] - [ -0.0006547800000000, -0.0011341100000000, 0.0027241900000000 ] - [ 0.0000056800000000, 0.0002058400000000, 0.0016809000000000 ] - [ 0.0003296500000000, 0.0000181200000000, -0.0072242000000000 ] - [ -0.0000693300000000, -0.0001524400000000, 0.0011901800000000 ] - [ -0.0000005800000000, -0.0000010100000000, 0.0020749600000000 ] - [ 0.0015405500000000, -0.0009913100000000, -0.0018577200000000 ] - [ 0.0001115600000000, -0.0001037700000000, 0.0016050400000000 ] - [ -0.0001576900000000, -0.0002066100000000, 0.0015182400000000 ] - [ -0.0001641800000000, 0.0000820400000000, 0.0014790400000000 ] - [ -0.0000214400000000, -0.0007653800000000, 0.0006817100000000 ] - [ -0.0003884800000000, 0.0020188700000000, -0.0017332100000000 ] - [ -0.0000901400000000, 0.0001202400000000, 0.0011785000000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000960300000000, 0.0000319200000000, -0.0002105100000000 ] - [ 0.0007856500000000, -0.0001956200000000, -0.0004704100000000 ] - [ 0.0000152700000000, -0.0000020500000000, 0.0002321000000000 ] - [ -0.0001562000000000, -0.0000777600000000, -0.0001644000000000 ] - [ 0.0002198200000000, 0.0000460300000000, 0.0005033300000000 ] - [ -0.0010651100000000, -0.0000466900000000, 0.0002186500000000 ] - [ 0.0066554800000000, 0.0007615900000000, 0.0004209400000000 ] - [ -0.0000468300000000, -0.0000041200000000, 0.0002570200000000 ] - [ -0.0002306800000000, 0.0002194500000000, -0.0000987700000000 ] - [ 0.0000177300000000, 0.0000250800000000, -0.0004027700000000 ] - [ 0.0000690200000000, 0.0000920200000000, 0.0000490400000000 ] - [ 0.0048168000000000, -0.0037430700000000, 0.0034617000000000 ] - [ 0.0007670400000000, 0.0001778000000000, 0.0002169100000000 ] - [ -0.0000140400000000, 0.0000024900000000, 0.0003403700000000 ] - [ 0.0072359600000000, -0.0000981300000000, 0.0001413400000000 ] - [ -0.0001236000000000, 0.0020016100000000, 0.0001127000000000 ] - [ -0.0001176000000000, 0.0001961100000000, -0.0001279200000000 ] - [ 0.0331580200000000, -0.0009365200000000, 0.0062896000000000 ] - [ -0.0001556100000000, -0.0001895800000000, -0.0001060300000000 ] - [ 0.0000515500000000, 0.0000734300000000, 0.0003367600000000 ] - [ -0.0074966600000000, -0.0001366500000000, -0.0029476500000000 ] - [ -0.0001432700000000, -0.0002645900000000, -0.0000018600000000 ] - [ 0.0018862500000000, -0.0064774100000000, -0.0019982700000000 ] - [ 0.0003733700000000, 0.0000403300000000, -0.0000611700000000 ] - [ 0.0000247400000000, 0.0000461300000000, 0.0003299700000000 ] - [ -0.0015411100000000, -0.0037305500000000, 0.0031499500000000 ] - [ -0.0014347400000000, -0.0000424100000000, -0.0001284500000000 ] - [ -0.0030019000000000, -0.0061366400000000, -0.0017829900000000 ] - [ -0.0000697200000000, 0.0000077400000000, 0.0003284400000000 ] - [ -0.0001366200000000, 0.0000023400000000, 0.0000520400000000 ] - [ -0.0058593500000000, -0.0001743500000000, -0.0006174100000000 ] - [ 0.0000354700000000, -0.0000525500000000, 0.0003512400000000 ] - [ 0.0000737600000000, -0.0001138500000000, 0.0000513700000000 ] - [ -0.0001602800000000, -0.0002503000000000, 0.0000049600000000 ] - [ -0.0008510100000000, 0.0005372200000000, 0.0001196700000000 ] - [ 0.0000954000000000, 0.0013942000000000, -0.0007042200000000 ] - [ -0.0019026400000000, 0.0010863500000000, -0.0024588900000000 ] - [ 0.0000443400000000, -0.0000890100000000, 0.0000884800000000 ] - [ 0.0052496000000000, 0.0007640600000000, 0.0008052800000000 ] - [ -0.0013971600000000, 0.0034943000000000, 0.0030436300000000 ] - [ 0.0001913300000000, -0.0000977400000000, 0.0002894900000000 ] - [ -0.0015957500000000, -0.0003828000000000, 0.0000488800000000 ] - [ 0.0271338200000000, -0.0024739800000000, -0.0021322100000000 ] - [ -0.0000922700000000, -0.0000218000000000, 0.0003527400000000 ] - [ -0.0000541500000000, -0.0018260200000000, 0.0003243500000000 ] - [ 0.1243588500000000, -0.0020263700000000, -0.0327332500000000 ] - [ 0.0001738400000000, 0.0000162300000000, -0.0000894100000000 ] - [ -0.0074548800000000, 0.0006920400000000, -0.0039094400000000 ] - [ -0.0000802200000000, -0.0000151000000000, 0.0000767800000000 ] - [ 0.0009042300000000, -0.0001208700000000, -0.0004798200000000 ] - [ 0.0001984400000000, 0.0002371300000000, -0.0002414800000000 ] - [ -0.0002007600000000, -0.0001042800000000, 0.0004386200000000 ] - [ -0.0009223300000000, 0.0019367700000000, 0.0011293800000000 ] - [ 0.0000477400000000, -0.0000560300000000, 0.0003516000000000 ] - [ -0.0000119300000000, -0.0001423600000000, -0.0002374000000000 ] - [ 0.0000096900000000, 0.0000024900000000, 0.0003260000000000 ] - [ 0.0000542700000000, 0.0001318000000000, 0.0000479700000000 ] - [ -0.0030192500000000, -0.0050242600000000, 0.0028530100000000 ] - [ -0.0005685400000000, 0.0010686600000000, -0.0049243200000000 ] - [ -0.0016674300000000, -0.0010954900000000, -0.0023414500000000 ] - [ 0.0002642600000000, 0.0000083100000000, -0.0000372500000000 ] - [ -0.0026327000000000, 0.0064004500000000, 0.0027845200000000 ] - [ -0.0040797900000000, 0.0085721300000000, -0.0035747300000000 ] - [ -0.0008956800000000, -0.0015243900000000, 0.0002757000000000 ] - [ 0.0000365600000000, 0.0000704000000000, 0.0006497500000000 ] - [ 0.0004945400000000, 0.0015951900000000, 0.0000192900000000 ] - [ -0.0097583600000000, -0.0022945800000000, 0.0045900000000000 ] - [ 0.0001442900000000, 0.0000525400000000, -0.0004357200000000 ] - [ -0.0001439800000000, 0.0002437600000000, -0.0000467700000000 ] - [ -0.0002766800000000, -0.0012309900000000, -0.0002050600000000 ] - [ 0.0000242900000000, -0.0000259100000000, 0.0001704400000000 ] - [ -0.0001482600000000, 0.0004708800000000, -0.0001932900000000 ] - [ 0.0000336100000000, -0.0000566400000000, -0.0004476000000000 ] - [ 0.0001478000000000, -0.0000683300000000, -0.0000392500000000 ] - [ 0.0283897000000000, -0.0182523200000000, -0.0000706200000000 ] - [ 0.0014844200000000, 0.0018007800000000, 0.0015700800000000 ] - [ 0.0000522300000000, -0.0000994900000000, 0.0000247600000000 ] - [ -0.0000052700000000, -0.0000591600000000, 0.0000662700000000 ] - [ 0.0025018600000000, 0.0005564900000000, -0.0010501000000000 ] - [ 0.0002225300000000, 0.0000202300000000, 0.0011794700000000 ] - [ -0.0000390900000000, 0.0002837300000000, -0.0002221800000000 ] - [ -0.2579669300000000, 0.0146861600000000, 0.0292436800000000 ] - [ -0.0000761700000000, -0.0001760400000000, 0.0000408300000000 ] - [ -0.0016037300000000, 0.0010414500000000, -0.0011224600000000 ] - [ 0.0000326600000000, 0.0001196400000000, 0.0001447800000000 ] - [ -0.0000232000000000, 0.0000657800000000, 0.0001766000000000 ] - [ -0.0000844200000000, -0.0000795000000000, 0.0001956300000000 ] - [ 0.0000260100000000, 0.0000260800000000, 0.0002861100000000 ] - [ 0.0045317100000000, -0.0007491800000000, -0.0002346500000000 ] - [ 0.0003310100000000, 0.0000057400000000, 0.0001842300000000 ] - [ 0.0000245300000000, 0.0000543700000000, -0.0004642000000000 ] - [ 0.0153159400000000, -0.0113115700000000, -0.0008720300000000 ] - [ 0.0007652000000000, 0.0014042900000000, 0.0015088300000000 ] - [ -0.0000200400000000, -0.0000370900000000, 0.0001425900000000 ] - [ 0.0000234000000000, -0.0000094900000000, 0.0001685700000000 ] - [ -0.0000160400000000, 0.0000099100000000, -0.0001591900000000 ] - [ -0.0000337100000000, 0.0000456700000000, 0.0001865500000000 ] - [ -0.0010738500000000, 0.0008450500000000, -0.0016390300000000 ] - [ 0.0003309900000000, 0.0005400600000000, -0.0002034100000000 ] - [ 0.0024603200000000, 0.0002850400000000, 0.0028010300000000 ] - [ 0.0001841900000000, -0.0005453700000000, -0.0007108400000000 ] - [ 0.0000205900000000, 0.0000336200000000, -0.0000577800000000 ] - [ -0.0022932100000000, 0.0046305300000000, 0.0077450800000000 ] - [ 0.0001684400000000, -0.0012353400000000, -0.0000432100000000 ] - [ 0.0060302000000000, 0.0020073600000000, -0.0156887900000000 ] - [ -0.0017935100000000, -0.0052151300000000, 0.0094616000000000 ] - [ 0.0024844300000000, 0.0007813400000000, -0.0008142800000000 ] - [ 0.0001613600000000, 0.0000086900000000, 0.0001259000000000 ] - [ 0.0000580300000000, 0.0000885500000000, 0.0000156200000000 ] - [ 0.0138669300000000, 0.0116285600000000, 0.0007143300000000 ] - [ 0.0001353900000000, -0.0000194000000000, -0.0000138200000000 ] - [ 0.0007545900000000, -0.0016608700000000, 0.0007842500000000 ] - [ 0.0011054400000000, -0.0015586000000000, 0.0017727200000000 ] - [ -0.0000092600000000, 0.0001035400000000, 0.0001985900000000 ] - [ -0.0002968500000000, 0.0008767400000000, -0.0000563500000000 ] - [ 0.0058693600000000, 0.0004237000000000, 0.0001912100000000 ] - [ -0.0005036300000000, -0.0003862700000000, -0.0001764000000000 ] - [ 0.0003103200000000, 0.0000107100000000, -0.0001734600000000 ] - [ -0.0000082200000000, -0.0002994900000000, 0.0001787900000000 ] - [ -0.0002018200000000, 0.0002490400000000, -0.0001654700000000 ] - [ -0.0001610100000000, 0.0002795600000000, 0.0001963600000000 ] - [ 0.0001279100000000, -0.0000343800000000, 0.0001996900000000 ] - [ -0.0001986000000000, -0.0003335200000000, 0.0001262600000000 ] - [ -0.0000723200000000, 0.0001012300000000, 0.0000869600000000 ] - [ -0.0001689500000000, 0.0000919300000000, -0.0000122500000000 ] - [ 0.0000733800000000, -0.0000046100000000, 0.0001678700000000 ] - [ -0.0010185200000000, -0.0025186100000000, -0.0014246400000000 ] - [ -0.0000325700000000, -0.0000089800000000, -0.0000600300000000 ] - [ 0.0004193500000000, 0.0001862000000000, -0.0002863400000000 ] - [ -0.0000950700000000, -0.0001555200000000, -0.0001165400000000 ] - [ 0.0038444700000000, -0.0004225700000000, -0.0126671700000000 ] - [ 0.0000408700000000, -0.0000000100000000, 0.0003252200000000 ] - [ -0.0001034600000000, -0.0000035100000000, 0.0000197300000000 ] - [ -0.0004497300000000, -0.0037171700000000, 0.0000014000000000 ] - [ -0.0000585600000000, -0.0000958700000000, -0.0000153400000000 ] - [ -0.0000371700000000, 0.0000196900000000, 0.0002216700000000 ] - [ -0.0000597200000000, 0.0000015200000000, -0.0004500300000000 ] - [ 0.0004141000000000, -0.0005455100000000, -0.0003738300000000 ] - [ -0.0001975600000000, -0.0021820100000000, -0.0011877500000000 ] - [ -0.0000358200000000, -0.0000557700000000, 0.0001778600000000 ] - [ -0.0055777900000000, -0.0005351300000000, 0.0002206100000000 ] - [ 0.0031346500000000, -0.0008467600000000, -0.0013854100000000 ] - [ -0.0001015300000000, 0.0000722200000000, 0.0002170100000000 ] - [ 0.0003353000000000, 0.0007858800000000, 0.0005585400000000 ] - [ 0.0000497100000000, -0.0009799900000000, 0.0008040400000000 ] - [ 0.0000341100000000, 0.0000036500000000, -0.0001812900000000 ] - [ 0.0059579300000000, -0.0002317100000000, -0.0000837600000000 ] - [ 0.0000646000000000, -0.0000860400000000, 0.0000146100000000 ] - [ -0.0000668400000000, -0.0001213700000000, 0.0001395400000000 ] - [ -0.0000324300000000, 0.0000712000000000, 0.0014779200000000 ] - [ 0.0025067200000000, -0.0005435300000000, -0.0013801200000000 ] - [ -0.0017777700000000, -0.0011957300000000, -0.0011541400000000 ] - [ -0.0021670700000000, -0.0013987000000000, 0.0020600600000000 ] - [ 0.0000544000000000, 0.0016867700000000, -0.0003575100000000 ] - [ -0.0014982600000000, 0.0033258700000000, 0.0076712800000000 ] - [ 0.0000030600000000, -0.0000250200000000, -0.0000578800000000 ] - [ 0.0001915500000000, 0.0003715800000000, -0.0004187500000000 ] - [ -0.0001065300000000, 0.0000109100000000, 0.0000186300000000 ] - [ 0.0016178300000000, 0.0001164000000000, -0.0022071500000000 ] - [ 0.0001585100000000, 0.0000873800000000, 0.0001730300000000 ] - [ 0.0010565500000000, -0.0001946000000000, 0.0001806100000000 ] - [ 0.0022563400000000, 0.0000350100000000, 0.0019111600000000 ] - [ 0.0143568800000000, 0.0112024300000000, 0.0011387900000000 ] - [ 0.0000713900000000, 0.0001036200000000, 0.0001587100000000 ] - [ 0.0003614900000000, -0.0002658500000000, 0.0003918700000000 ] - [ 0.0007965900000000, 0.0001529300000000, 0.0001157400000000 ] - [ -0.0001438600000000, -0.0001090700000000, -0.0000418700000000 ] - [ -0.0000532000000000, -0.0000232800000000, 0.0000012000000000 ] - [ -0.0000107000000000, -0.0001238200000000, 0.0002167500000000 ] - [ -0.0008749200000000, 0.0019758000000000, -0.0013646600000000 ] - [ 0.0000425100000000, 0.0000868300000000, 0.0000207500000000 ] - [ -0.0005073300000000, 0.0036931300000000, -0.0003330400000000 ] - [ -0.0000677400000000, 0.0000958800000000, 0.0000747100000000 ] - [ -0.0000777100000000, 0.0001133100000000, 0.0000172300000000 ]- atom: 82 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001527800000000, -0.0001317800000000, 0.0002113800000000 ] - [ -0.0007903300000000, 0.0002014300000000, 0.0004810900000000 ] - [ -0.0000155200000000, 0.0000021000000000, 0.0001724500000000 ] - [ 0.0000387100000000, 0.0000781400000000, 0.0001649900000000 ] - [ -0.0001595500000000, 0.0000566900000000, -0.0005005800000000 ] - [ 0.0010647800000000, 0.0000470800000000, -0.0002262400000000 ] - [ -0.0066282000000000, -0.0007450500000000, -0.0008322000000000 ] - [ 0.0000394900000000, 0.0000022200000000, 0.0000818000000000 ] - [ -0.0000900700000000, 0.0001960400000000, -0.0000984200000000 ] - [ -0.0000196500000000, -0.0000280400000000, -0.0004410100000000 ] - [ 0.0000785500000000, 0.0001039500000000, 0.0000330200000000 ] - [ -0.0048514600000000, 0.0037695900000000, -0.0030041100000000 ] - [ -0.0007628600000000, -0.0001830200000000, 0.0006256400000000 ] - [ 0.0000155600000000, 0.0000026200000000, 0.0002863700000000 ] - [ -0.0074399600000000, 0.0000734300000000, -0.0002398400000000 ] - [ 0.0002123800000000, -0.0017685900000000, -0.0001885500000000 ] - [ -0.0000836600000000, 0.0002893000000000, -0.0000679700000000 ] - [ -0.0357428200000000, 0.0006436200000000, -0.0088515000000000 ] - [ -0.0001648700000000, -0.0002276100000000, -0.0000889400000000 ] - [ 0.0000269600000000, 0.0000627500000000, 0.0003168300000000 ] - [ 0.0079962600000000, 0.0001948900000000, 0.0031106100000000 ] - [ -0.0001354100000000, -0.0002177500000000, -0.0000955500000000 ] - [ -0.0020156100000000, 0.0069565000000000, 0.0021612700000000 ] - [ 0.0001460900000000, -0.0001106600000000, -0.0001352100000000 ] - [ 0.0000420400000000, 0.0000698300000000, 0.0002972300000000 ] - [ 0.0012635700000000, 0.0032372300000000, -0.0030368700000000 ] - [ 0.0014244800000000, 0.0000402900000000, -0.0002038200000000 ] - [ 0.0028407400000000, 0.0061522800000000, 0.0011404300000000 ] - [ -0.0000653400000000, -0.0000069200000000, 0.0002988700000000 ] - [ -0.0001017700000000, 0.0000200200000000, 0.0000290200000000 ] - [ 0.0058515500000000, 0.0001774500000000, 0.0000123500000000 ] - [ 0.0000388100000000, -0.0000882700000000, 0.0003036800000000 ] - [ 0.0000644400000000, -0.0000811100000000, 0.0000296800000000 ] - [ -0.0000422200000000, -0.0002356000000000, -0.0002006700000000 ] - [ 0.0014068200000000, -0.0005293100000000, -0.0000145300000000 ] - [ -0.0000382900000000, -0.0013947800000000, 0.0011228900000000 ] - [ 0.0015893400000000, -0.0006036400000000, 0.0025545700000000 ] - [ 0.0000572300000000, -0.0001389100000000, -0.0000072100000000 ] - [ -0.0052253300000000, -0.0007256200000000, -0.0014736300000000 ] - [ 0.0014986500000000, -0.0037143600000000, -0.0031056100000000 ] - [ -0.0002085200000000, 0.0001393000000000, -0.0007141700000000 ] - [ 0.0013559200000000, 0.0003974100000000, -0.0001228300000000 ] - [ -0.0267960100000000, 0.0027810700000000, 0.0026817000000000 ] - [ -0.0000672800000000, 0.0000162300000000, 0.0003021900000000 ] - [ 0.0001881700000000, 0.0016258600000000, -0.0004004200000000 ] - [ -0.1163740300000000, 0.0019803700000000, 0.0291583500000000 ] - [ 0.0003472400000000, 0.0000519200000000, -0.0001071700000000 ] - [ 0.0071008200000000, -0.0002651400000000, 0.0040695300000000 ] - [ -0.0001682600000000, -0.0000107000000000, 0.0000043900000000 ] - [ -0.0008975500000000, 0.0001153800000000, 0.0001409800000000 ] - [ -0.0001037700000000, -0.0000734100000000, 0.0008129500000000 ] - [ 0.0000091700000000, 0.0001053000000000, 0.0001284300000000 ] - [ 0.0010084000000000, -0.0021065400000000, -0.0017038600000000 ] - [ 0.0000198500000000, -0.0000603900000000, 0.0002757200000000 ] - [ -0.0000081600000000, 0.0001075300000000, -0.0001871100000000 ] - [ -0.0000064600000000, 0.0000017600000000, 0.0003006800000000 ] - [ 0.0000412200000000, 0.0000943500000000, 0.0000342300000000 ] - [ 0.0030794700000000, 0.0051060500000000, -0.0034490400000000 ] - [ 0.0007094500000000, -0.0009341800000000, 0.0043394400000000 ] - [ 0.0017793100000000, 0.0012916600000000, 0.0022555800000000 ] - [ 0.0002939100000000, -0.0000090000000000, -0.0000620900000000 ] - [ 0.0024815000000000, -0.0063572400000000, -0.0033830500000000 ] - [ 0.0041465000000000, -0.0087385100000000, 0.0029410200000000 ] - [ 0.0007022100000000, 0.0015355000000000, -0.0008473200000000 ] - [ 0.0000580700000000, -0.0002361100000000, -0.0000831700000000 ] - [ -0.0008457700000000, -0.0019729500000000, 0.0001879900000000 ] - [ 0.0095498000000000, 0.0018180200000000, -0.0044465000000000 ] - [ -0.0000997600000000, -0.0000464100000000, 0.0000094700000000 ] - [ -0.0001363700000000, 0.0002395900000000, -0.0000526100000000 ] - [ 0.0002565500000000, 0.0011894800000000, 0.0006255000000000 ] - [ -0.0000227800000000, 0.0000188900000000, 0.0001673400000000 ] - [ -0.0000682200000000, -0.0003588100000000, -0.0002209900000000 ] - [ 0.0000283600000000, -0.0000528700000000, -0.0004230100000000 ] - [ 0.0000105200000000, -0.0001063900000000, 0.0001696000000000 ] - [ -0.0289975900000000, 0.0188248600000000, -0.0001709400000000 ] - [ -0.0015118100000000, -0.0018230300000000, -0.0020878500000000 ] - [ 0.0000486300000000, -0.0000889900000000, 0.0000415400000000 ] - [ -0.0000115900000000, 0.0000914500000000, 0.0004721400000000 ] - [ -0.0023858800000000, -0.0007299000000000, 0.0009688500000000 ] - [ -0.0000134000000000, 0.0003608600000000, -0.0011876100000000 ] - [ -0.0004080200000000, -0.0002894900000000, 0.0002237000000000 ] - [ 0.2532358000000000, -0.0147379100000000, -0.0251340800000000 ] - [ 0.0001507900000000, -0.0000505600000000, 0.0000860400000000 ] - [ 0.0017937000000000, -0.0009000400000000, 0.0006996600000000 ] - [ -0.0000137000000000, 0.0001204100000000, 0.0002716800000000 ] - [ -0.0000330200000000, 0.0000364900000000, 0.0001928100000000 ] - [ -0.0001305500000000, -0.0000280200000000, 0.0002198200000000 ] - [ -0.0000420000000000, -0.0000525800000000, 0.0002507700000000 ] - [ -0.0042258600000000, 0.0007122700000000, -0.0000253800000000 ] - [ 0.0003652500000000, -0.0000006200000000, 0.0001819800000000 ] - [ 0.0000367500000000, 0.0000523600000000, -0.0004061200000000 ] - [ -0.0151925300000000, 0.0112597000000000, 0.0004919600000000 ] - [ -0.0008855300000000, -0.0014079400000000, -0.0006495500000000 ] - [ -0.0000286900000000, -0.0000639500000000, 0.0002255800000000 ] - [ 0.0000918000000000, 0.0000066500000000, 0.0002024000000000 ] - [ 0.0000170500000000, -0.0000093700000000, -0.0001626400000000 ] - [ -0.0000269000000000, 0.0000528300000000, 0.0001846800000000 ] - [ 0.0007535300000000, -0.0002781800000000, 0.0016373700000000 ] - [ -0.0002975100000000, -0.0004779100000000, 0.0002898000000000 ] - [ -0.0026604000000000, -0.0002915500000000, -0.0028875500000000 ] - [ 0.0000400200000000, 0.0001581400000000, 0.0007131900000000 ] - [ 0.0000094100000000, 0.0000189300000000, -0.0000280100000000 ] - [ 0.0023565200000000, -0.0044895000000000, -0.0079450500000000 ] - [ -0.0000615800000000, 0.0010336400000000, -0.0000200700000000 ] - [ -0.0060236800000000, -0.0019827200000000, 0.0152843100000000 ] - [ 0.0019771100000000, 0.0053695400000000, -0.0094778800000000 ] - [ -0.0027087500000000, -0.0008332300000000, 0.0006986100000000 ] - [ 0.0001337000000000, -0.0000082800000000, 0.0001386900000000 ] - [ 0.0000411100000000, 0.0000952400000000, 0.0000523600000000 ] - [ -0.0140881200000000, -0.0118703100000000, -0.0010859200000000 ] - [ 0.0001236200000000, 0.0000182100000000, 0.0000265600000000 ] - [ -0.0007209900000000, 0.0016482400000000, -0.0013087800000000 ] - [ -0.0010358500000000, 0.0014476300000000, -0.0009151400000000 ] - [ 0.0001671900000000, 0.0000729500000000, -0.0000705500000000 ] - [ 0.0000617800000000, -0.0008465200000000, -0.0000804800000000 ] - [ -0.0058618500000000, -0.0004223700000000, 0.0001351900000000 ] - [ 0.0000995600000000, -0.0003133000000000, -0.0001434600000000 ] - [ -0.0003104900000000, -0.0000117200000000, 0.0001709600000000 ] - [ -0.0004018400000000, 0.0009982200000000, 0.0001406700000000 ] - [ -0.0002082500000000, 0.0004452300000000, -0.0001517500000000 ] - [ -0.0001831900000000, 0.0003262900000000, 0.0001700000000000 ] - [ 0.0000775300000000, -0.0000952000000000, 0.0002129800000000 ] - [ -0.0001487800000000, -0.0002674800000000, 0.0002360200000000 ] - [ -0.0000751700000000, 0.0001551900000000, 0.0001773700000000 ] - [ 0.0001672400000000, -0.0000929600000000, 0.0000115100000000 ] - [ 0.0000427200000000, 0.0000075700000000, 0.0002017300000000 ] - [ 0.0011116200000000, 0.0022883500000000, 0.0012951700000000 ] - [ -0.0000250800000000, 0.0000090500000000, -0.0000249300000000 ] - [ 0.0003864600000000, -0.0001937000000000, -0.0000311700000000 ] - [ -0.0002502500000000, 0.0007618200000000, -0.0002536600000000 ] - [ -0.0037779200000000, 0.0005355500000000, 0.0134317000000000 ] - [ -0.0000048800000000, 0.0000011700000000, 0.0002136000000000 ] - [ -0.0001108000000000, -0.0000031300000000, 0.0000465600000000 ] - [ 0.0003963900000000, 0.0036198100000000, -0.0003681300000000 ] - [ -0.0000731800000000, -0.0001316600000000, 0.0000282000000000 ] - [ -0.0002834400000000, -0.0005719900000000, -0.0002195500000000 ] - [ -0.0000666500000000, -0.0000024000000000, -0.0004207500000000 ] - [ -0.0001555800000000, 0.0005396500000000, 0.0003573900000000 ] - [ 0.0001337600000000, 0.0021718200000000, 0.0012620300000000 ] - [ -0.0000276000000000, -0.0000368900000000, 0.0001901200000000 ] - [ 0.0055813200000000, 0.0003642000000000, 0.0000917900000000 ] - [ -0.0029708300000000, 0.0006723400000000, 0.0012718300000000 ] - [ -0.0001139400000000, 0.0000410100000000, 0.0001959000000000 ] - [ 0.0003645200000000, -0.0007718000000000, -0.0009192100000000 ] - [ -0.0000321100000000, 0.0007316500000000, -0.0012136000000000 ] - [ -0.0000347000000000, -0.0000022700000000, -0.0001403100000000 ] - [ -0.0058433100000000, 0.0002655000000000, -0.0002911800000000 ] - [ 0.0000437800000000, -0.0000952900000000, 0.0000514800000000 ] - [ -0.0000812700000000, -0.0001342200000000, 0.0001243700000000 ] - [ -0.0000909700000000, 0.0001485900000000, -0.0014799900000000 ] - [ -0.0023999800000000, 0.0007204600000000, 0.0012952200000000 ] - [ 0.0014205800000000, 0.0005914700000000, 0.0007842100000000 ] - [ 0.0017407000000000, 0.0007129900000000, -0.0017526900000000 ] - [ 0.0007556000000000, -0.0016912500000000, 0.0006752000000000 ] - [ 0.0015960300000000, -0.0033413400000000, -0.0075072100000000 ] - [ 0.0000253300000000, -0.0000245900000000, -0.0000270400000000 ] - [ -0.0003232000000000, -0.0005935300000000, 0.0004048800000000 ] - [ -0.0001047300000000, -0.0000073600000000, 0.0000476900000000 ] - [ -0.0015962800000000, 0.0001247200000000, 0.0017807500000000 ] - [ -0.0000863800000000, 0.0001381200000000, -0.0000442300000000 ] - [ -0.0008478000000000, 0.0000643200000000, -0.0005970200000000 ] - [ -0.0021860600000000, 0.0001984400000000, -0.0020138200000000 ] - [ -0.0143401300000000, -0.0112997200000000, -0.0013912500000000 ] - [ 0.0001263700000000, 0.0000333700000000, 0.0002579000000000 ] - [ 0.0002875600000000, 0.0002711800000000, -0.0003919500000000 ] - [ -0.0010078700000000, -0.0002606800000000, -0.0005355200000000 ] - [ 0.0001413600000000, 0.0001071000000000, 0.0000413300000000 ] - [ -0.0001803200000000, -0.0000264600000000, 0.0001269700000000 ] - [ 0.0000249200000000, -0.0001159000000000, 0.0001988000000000 ] - [ 0.0006512100000000, -0.0019617700000000, 0.0012934600000000 ] - [ 0.0000665500000000, 0.0000909100000000, 0.0000474000000000 ] - [ 0.0004409600000000, -0.0035842600000000, -0.0000365300000000 ] - [ -0.0001637300000000, -0.0000468600000000, 0.0000543300000000 ] - [ -0.0000532300000000, 0.0001107400000000, -0.0000041500000000 ]- atom: 82 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0001991000000000, -0.0001251900000000, -0.0000190900000000 ] - [ -0.0001427800000000, -0.0002707900000000, -0.0011363400000000 ] - [ -0.0000081700000000, -0.0000015400000000, 0.0000179900000000 ] - [ -0.0001360200000000, -0.0000213100000000, -0.0003137900000000 ] - [ -0.0000588200000000, 0.0002086400000000, -0.0006156500000000 ] - [ 0.0004741100000000, 0.0001905400000000, -0.0001368000000000 ] - [ -0.0038509800000000, -0.0040956500000000, -0.0011433100000000 ] - [ 0.0000211200000000, 0.0000193200000000, -0.0001015800000000 ] - [ -0.0001133400000000, 0.0002427000000000, -0.0002966700000000 ] - [ -0.0000007300000000, -0.0000280800000000, -0.0007535400000000 ] - [ 0.0000816400000000, 0.0001342300000000, -0.0001702800000000 ] - [ -0.0036949100000000, 0.0028783800000000, 0.0005532900000000 ] - [ -0.0000765700000000, -0.0005476700000000, -0.0003819700000000 ] - [ 0.0000085200000000, 0.0000073500000000, 0.0000866500000000 ] - [ -0.0038150400000000, 0.0049069000000000, -0.0013458000000000 ] - [ 0.0011090900000000, -0.0023832600000000, -0.0002050000000000 ] - [ -0.0001606700000000, 0.0002461900000000, -0.0003541300000000 ] - [ -0.0193544300000000, 0.0192138700000000, -0.0021808700000000 ] - [ -0.0001142700000000, -0.0003052000000000, -0.0003460800000000 ] - [ 0.0000353200000000, 0.0000881600000000, 0.0001087600000000 ] - [ 0.0022805400000000, 0.0007808300000000, 0.0011977200000000 ] - [ -0.0001336100000000, -0.0002046400000000, -0.0002663100000000 ] - [ -0.0066041900000000, -0.0001267700000000, -0.0009137000000000 ] - [ 0.0002474600000000, 0.0000098400000000, -0.0003796300000000 ] - [ 0.0000292400000000, 0.0000584300000000, 0.0000895000000000 ] - [ 0.0002755100000000, 0.0030080300000000, -0.0011468800000000 ] - [ 0.0008214600000000, 0.0002489100000000, -0.0003667700000000 ] - [ -0.0007885700000000, -0.0005525100000000, 0.0005549400000000 ] - [ -0.0000622200000000, -0.0000110200000000, 0.0000973800000000 ] - [ -0.0001266800000000, 0.0000033600000000, -0.0001542000000000 ] - [ 0.0032434700000000, 0.0012742500000000, 0.0000872900000000 ] - [ 0.0000515900000000, -0.0000893800000000, 0.0001086900000000 ] - [ 0.0000641800000000, -0.0001270900000000, -0.0001668000000000 ] - [ -0.0000947300000000, -0.0002164600000000, -0.0003448800000000 ] - [ 0.0004825200000000, -0.0011554800000000, 0.0000345500000000 ] - [ 0.0007683600000000, -0.0018016500000000, 0.0015436800000000 ] - [ 0.0031474500000000, 0.0008393100000000, 0.0031523900000000 ] - [ 0.0000770000000000, -0.0001453100000000, -0.0001866900000000 ] - [ -0.0029471600000000, -0.0063199900000000, 0.0071797500000000 ] - [ 0.0015331500000000, -0.0016874000000000, -0.0025787700000000 ] - [ -0.0001022500000000, 0.0000868300000000, -0.0004555700000000 ] - [ 0.0012526700000000, -0.0005213600000000, -0.0001566000000000 ] - [ -0.0162126600000000, 0.0249702700000000, 0.0087442400000000 ] - [ -0.0000861800000000, -0.0000061800000000, 0.0001063200000000 ] - [ -0.0010978100000000, -0.0006643400000000, -0.0000747500000000 ] - [ -0.0592827700000000, 0.0198400100000000, 0.0169702300000000 ] - [ 0.0002888000000000, 0.0000204300000000, -0.0003219100000000 ] - [ 0.0057291700000000, 0.0003016800000000, 0.0046970100000000 ] - [ -0.0001705400000000, 0.0000123100000000, -0.0001786200000000 ] - [ -0.0007913300000000, -0.0000933500000000, 0.0004860700000000 ] - [ 0.0000163500000000, 0.0001572800000000, 0.0001861900000000 ] - [ -0.0000972700000000, -0.0000248900000000, 0.0000549800000000 ] - [ 0.0017423700000000, -0.0014009200000000, -0.0016529200000000 ] - [ 0.0000292300000000, -0.0000476500000000, 0.0000832900000000 ] - [ -0.0000383900000000, -0.0000057400000000, -0.0003274700000000 ] - [ -0.0000032500000000, 0.0000012600000000, 0.0000812700000000 ] - [ 0.0000683200000000, 0.0001029300000000, -0.0001485200000000 ] - [ -0.0008000200000000, 0.0000404000000000, 0.0000358200000000 ] - [ -0.0007843400000000, 0.0039122700000000, 0.0015033300000000 ] - [ -0.0021807600000000, 0.0011885000000000, -0.0008273400000000 ] - [ 0.0002626500000000, -0.0000177800000000, -0.0002529400000000 ] - [ 0.0035630300000000, -0.0067598200000000, -0.0026722000000000 ] - [ 0.0050449300000000, -0.0083088300000000, 0.0029036500000000 ] - [ -0.0004073900000000, -0.0004640100000000, -0.0004737600000000 ] - [ 0.0001397700000000, -0.0002155700000000, -0.0001477100000000 ] - [ 0.0030441000000000, -0.0065877100000000, -0.0021940600000000 ] - [ 0.0048801100000000, 0.0052325500000000, -0.0017724100000000 ] - [ -0.0000768600000000, -0.0000310000000000, -0.0000242500000000 ] - [ -0.0001271200000000, 0.0002424200000000, -0.0002321200000000 ] - [ -0.0004002700000000, -0.0004968100000000, 0.0005857900000000 ] - [ -0.0000248000000000, 0.0000062900000000, 0.0000525500000000 ] - [ 0.0001481400000000, 0.0002791100000000, -0.0003258100000000 ] - [ 0.0000231700000000, -0.0000490300000000, -0.0002725800000000 ] - [ 0.0000158300000000, -0.0001350300000000, 0.0002662600000000 ] - [ -0.0282931000000000, 0.0115813200000000, -0.0002140000000000 ] - [ 0.0003649000000000, -0.0001092600000000, -0.0008245500000000 ] - [ 0.0000466500000000, -0.0000788700000000, 0.0001783000000000 ] - [ -0.0000287600000000, 0.0000271200000000, 0.0004476200000000 ] - [ -0.0009125900000000, -0.0005621000000000, -0.0001450300000000 ] - [ 0.0003832100000000, -0.0004303800000000, 0.0001271300000000 ] - [ -0.0001903900000000, 0.0001834000000000, 0.0002515900000000 ] - [ 0.1404890100000000, -0.0900473000000000, -0.0400156400000000 ] - [ 0.0000366600000000, -0.0000752400000000, 0.0003276600000000 ] - [ 0.0015072900000000, -0.0009896400000000, -0.0000493300000000 ] - [ 0.0000061100000000, 0.0001192000000000, 0.0003915000000000 ] - [ 0.0000015300000000, 0.0000635600000000, 0.0003325100000000 ] - [ -0.0001217600000000, -0.0000397000000000, 0.0003726100000000 ] - [ -0.0000033400000000, -0.0000382000000000, 0.0003808100000000 ] - [ -0.0027431600000000, 0.0038109700000000, -0.0006266500000000 ] - [ 0.0003869300000000, 0.0000029400000000, 0.0003561700000000 ] - [ 0.0000330500000000, 0.0000430300000000, -0.0002556800000000 ] - [ -0.0168575500000000, 0.0078509600000000, -0.0007568400000000 ] - [ 0.0004614600000000, 0.0003012100000000, 0.0001384200000000 ] - [ -0.0000066600000000, -0.0000718200000000, 0.0003300000000000 ] - [ 0.0000678300000000, -0.0000376200000000, 0.0003348900000000 ] - [ 0.0000077200000000, 0.0000000400000000, 0.0000391000000000 ] - [ -0.0000504900000000, 0.0000337700000000, 0.0003125400000000 ] - [ 0.0004465700000000, -0.0002509800000000, 0.0007040100000000 ] - [ 0.0010510500000000, 0.0015172500000000, 0.0013301000000000 ] - [ -0.0011023700000000, -0.0020774300000000, -0.0017853400000000 ] - [ -0.0002099200000000, -0.0000364900000000, 0.0007076400000000 ] - [ 0.0000080700000000, 0.0000186900000000, 0.0001161500000000 ] - [ 0.0047393100000000, -0.0013239700000000, 0.0044720300000000 ] - [ -0.0007919800000000, 0.0023150000000000, -0.0012095200000000 ] - [ -0.0023710700000000, -0.0052255100000000, 0.0069785200000000 ] - [ -0.0042206900000000, 0.0029392900000000, -0.0160185000000000 ] - [ -0.0011545400000000, -0.0003417100000000, -0.0004258800000000 ] - [ 0.0001351400000000, 0.0000100900000000, 0.0002770900000000 ] - [ 0.0000432900000000, 0.0000901000000000, 0.0001862500000000 ] - [ 0.0012761200000000, -0.0044426500000000, -0.0012670400000000 ] - [ 0.0001252600000000, 0.0000201900000000, 0.0001366300000000 ] - [ -0.0009762700000000, 0.0019418500000000, -0.0014210200000000 ] - [ -0.0014689900000000, 0.0015144000000000, -0.0008831800000000 ] - [ 0.0001201500000000, 0.0000489400000000, 0.0002549500000000 ] - [ 0.0007915200000000, 0.0016558400000000, 0.0014998900000000 ] - [ -0.0033901000000000, -0.0017679800000000, -0.0004810700000000 ] - [ -0.0000876200000000, -0.0004285700000000, -0.0001048500000000 ] - [ -0.0001837800000000, -0.0000601800000000, 0.0003094100000000 ] - [ -0.0006268500000000, 0.0015486100000000, -0.0001833500000000 ] - [ -0.0001903600000000, 0.0004710900000000, -0.0000971200000000 ] - [ -0.0002045700000000, 0.0003645100000000, 0.0003242400000000 ] - [ 0.0000768200000000, -0.0001091900000000, 0.0003366700000000 ] - [ -0.0001807200000000, -0.0003137200000000, 0.0003774900000000 ] - [ -0.0000827800000000, 0.0001298300000000, 0.0003025700000000 ] - [ 0.0001518400000000, -0.0000474000000000, 0.0000238300000000 ] - [ 0.0000558600000000, 0.0000305500000000, 0.0003240500000000 ] - [ -0.0013093600000000, 0.0020555100000000, 0.0025606100000000 ] - [ -0.0000197000000000, 0.0000090400000000, 0.0001174200000000 ] - [ 0.0004247900000000, -0.0000620400000000, -0.0000377900000000 ] - [ -0.0004443100000000, 0.0010064100000000, -0.0000630000000000 ] - [ -0.0033435400000000, -0.0038797700000000, 0.0091453800000000 ] - [ -0.0000081100000000, 0.0000192400000000, 0.0002946300000000 ] - [ -0.0001022000000000, -0.0000090500000000, 0.0001813300000000 ] - [ -0.0022607800000000, 0.0046066100000000, -0.0011047700000000 ] - [ -0.0000684100000000, -0.0001192000000000, 0.0001349700000000 ] - [ -0.0000783200000000, -0.0001980700000000, 0.0000032100000000 ] - [ -0.0000575100000000, 0.0000039600000000, -0.0002622400000000 ] - [ -0.0004838400000000, 0.0007071800000000, 0.0004191300000000 ] - [ -0.0015321300000000, 0.0021454500000000, 0.0020267800000000 ] - [ -0.0000571700000000, -0.0000142000000000, 0.0003248400000000 ] - [ 0.0021305200000000, 0.0228470900000000, 0.0031089800000000 ] - [ -0.0019690100000000, 0.0000270300000000, 0.0009783100000000 ] - [ -0.0001003600000000, 0.0000688500000000, 0.0003355400000000 ] - [ 0.0006944600000000, 0.0003200800000000, 0.0004949000000000 ] - [ -0.0002949900000000, 0.0008278000000000, -0.0016623300000000 ] - [ -0.0000108200000000, -0.0000058500000000, 0.0000191200000000 ] - [ -0.0026926700000000, 0.0033075000000000, -0.0011805500000000 ] - [ 0.0000454600000000, -0.0000891700000000, 0.0001835000000000 ] - [ -0.0000677900000000, -0.0001366500000000, 0.0002853500000000 ] - [ 0.0001571700000000, -0.0020996800000000, -0.0003230800000000 ] - [ -0.0018491800000000, 0.0005630400000000, 0.0011739200000000 ] - [ 0.0001268800000000, 0.0000397800000000, 0.0011242900000000 ] - [ 0.0001235400000000, -0.0004568400000000, -0.0030958400000000 ] - [ 0.0012906300000000, -0.0003359000000000, -0.0001869200000000 ] - [ 0.0066990700000000, -0.0007873000000000, 0.0074237900000000 ] - [ 0.0000150200000000, -0.0000220200000000, 0.0001192100000000 ] - [ 0.0002635200000000, 0.0000226800000000, 0.0002109600000000 ] - [ -0.0000960500000000, -0.0000020600000000, 0.0001851600000000 ] - [ -0.0010935600000000, -0.0000203200000000, 0.0011598300000000 ] - [ 0.0000456600000000, 0.0000930100000000, 0.0002050900000000 ] - [ -0.0004540100000000, -0.0001968600000000, -0.0005123200000000 ] - [ -0.0007740000000000, -0.0012084200000000, -0.0015068000000000 ] - [ 0.0003712000000000, -0.0046889600000000, -0.0005868200000000 ] - [ 0.0001222900000000, 0.0000342400000000, 0.0003644000000000 ] - [ 0.0000924800000000, 0.0003430200000000, -0.0004992400000000 ] - [ -0.0004892300000000, -0.0002798200000000, -0.0001614000000000 ] - [ 0.0000189300000000, 0.0001187000000000, 0.0004228700000000 ] - [ -0.0001506000000000, 0.0000027800000000, 0.0002222400000000 ] - [ 0.0000204000000000, -0.0001179700000000, 0.0003111300000000 ] - [ 0.0020556900000000, -0.0001949800000000, -0.0012203800000000 ] - [ 0.0000563500000000, 0.0000772500000000, 0.0001822100000000 ] - [ 0.0026261400000000, 0.0010932200000000, -0.0009981500000000 ] - [ -0.0001083600000000, 0.0000538200000000, 0.0002883800000000 ] - [ -0.0000586600000000, 0.0000966200000000, 0.0001239200000000 ]- atom: 82 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0001414500000000, 0.0000260000000000, 0.0000193900000000 ] - [ 0.0001388000000000, 0.0002776300000000, 0.0011403200000000 ] - [ 0.0000081300000000, 0.0000017000000000, 0.0003848900000000 ] - [ 0.0000188800000000, 0.0000216000000000, 0.0003123200000000 ] - [ 0.0001186100000000, -0.0001056600000000, 0.0006122500000000 ] - [ -0.0004754900000000, -0.0001901100000000, 0.0001341000000000 ] - [ 0.0039007700000000, 0.0038114100000000, 0.0007384600000000 ] - [ -0.0000280700000000, -0.0000210200000000, 0.0004383800000000 ] - [ -0.0002075500000000, 0.0001726000000000, 0.0000972800000000 ] - [ -0.0000011300000000, 0.0000249900000000, -0.0000916000000000 ] - [ 0.0000660700000000, 0.0000621100000000, 0.0002506200000000 ] - [ 0.0036947700000000, -0.0028641700000000, -0.0001134800000000 ] - [ 0.0000794800000000, 0.0005361200000000, 0.0012239100000000 ] - [ -0.0000068000000000, -0.0000021100000000, 0.0005380500000000 ] - [ 0.0035713700000000, -0.0049222200000000, 0.0012230400000000 ] - [ -0.0010177400000000, 0.0026173000000000, 0.0001373900000000 ] - [ -0.0000408100000000, 0.0002391900000000, 0.0001558800000000 ] - [ 0.0189429700000000, -0.0194693000000000, 0.0012990500000000 ] - [ -0.0002061000000000, -0.0001118400000000, 0.0001486000000000 ] - [ 0.0000432300000000, 0.0000480300000000, 0.0005428900000000 ] - [ -0.0017285100000000, -0.0007168600000000, -0.0009962400000000 ] - [ -0.0001448300000000, -0.0002772800000000, 0.0001670600000000 ] - [ 0.0063886900000000, 0.0006619200000000, 0.0010962600000000 ] - [ 0.0002724200000000, -0.0000796700000000, 0.0001809700000000 ] - [ 0.0000377200000000, 0.0000577400000000, 0.0005359400000000 ] - [ -0.0005420300000000, -0.0034734500000000, 0.0012349500000000 ] - [ -0.0008260600000000, -0.0002510000000000, 0.0000294100000000 ] - [ 0.0006162100000000, 0.0005162700000000, -0.0012039900000000 ] - [ -0.0000728100000000, 0.0000119000000000, 0.0005281200000000 ] - [ -0.0001116800000000, 0.0000189900000000, 0.0002336000000000 ] - [ -0.0032478700000000, -0.0012715900000000, -0.0006963800000000 ] - [ 0.0000228200000000, -0.0000511600000000, 0.0005444300000000 ] - [ 0.0000740900000000, -0.0000680200000000, 0.0002461500000000 ] - [ -0.0001076300000000, -0.0002692800000000, 0.0001473600000000 ] - [ 0.0000676200000000, 0.0011551500000000, 0.0000714200000000 ] - [ -0.0007227500000000, 0.0018082100000000, -0.0011306200000000 ] - [ -0.0034427200000000, -0.0003479600000000, -0.0030557700000000 ] - [ 0.0000250500000000, -0.0000828300000000, 0.0002659900000000 ] - [ 0.0029346800000000, 0.0063563500000000, -0.0077663300000000 ] - [ -0.0014203800000000, 0.0014280300000000, 0.0025061400000000 ] - [ 0.0000858300000000, -0.0000450800000000, 0.0000286100000000 ] - [ -0.0014907100000000, 0.0005510600000000, 0.0000864500000000 ] - [ 0.0158219700000000, -0.0235489000000000, -0.0067777200000000 ] - [ -0.0000731700000000, 0.0000006400000000, 0.0005468300000000 ] - [ 0.0012438300000000, 0.0004652200000000, 0.0000007800000000 ] - [ 0.0610686100000000, -0.0192457000000000, -0.0181991500000000 ] - [ 0.0002322100000000, 0.0000477700000000, 0.0001233500000000 ] - [ -0.0060814500000000, 0.0001060700000000, -0.0045297400000000 ] - [ -0.0000782100000000, -0.0000377700000000, 0.0002578700000000 ] - [ 0.0007915900000000, 0.0000907700000000, -0.0008248500000000 ] - [ 0.0000785500000000, 0.0000065800000000, 0.0003814700000000 ] - [ -0.0000947600000000, 0.0000256300000000, 0.0005096000000000 ] - [ -0.0016484000000000, 0.0012443100000000, 0.0010771400000000 ] - [ 0.0000385800000000, -0.0000687000000000, 0.0005423000000000 ] - [ 0.0000187100000000, -0.0000292100000000, -0.0000994100000000 ] - [ 0.0000065600000000, 0.0000031300000000, 0.0005433100000000 ] - [ 0.0000275800000000, 0.0001233200000000, 0.0002290900000000 ] - [ 0.0008938000000000, 0.0001110800000000, -0.0006638900000000 ] - [ 0.0008996500000000, -0.0037829700000000, -0.0020713500000000 ] - [ 0.0022941800000000, -0.0009928100000000, 0.0007304600000000 ] - [ 0.0002955100000000, 0.0000170800000000, 0.0001520000000000 ] - [ -0.0037209800000000, 0.0067787900000000, 0.0020765600000000 ] - [ -0.0049725400000000, 0.0081654000000000, -0.0035359500000000 ] - [ 0.0002135500000000, 0.0004595800000000, -0.0000942900000000 ] - [ -0.0000445300000000, 0.0000505000000000, 0.0007117900000000 ] - [ -0.0033636100000000, 0.0061672500000000, 0.0023693700000000 ] - [ -0.0051065900000000, -0.0056818500000000, 0.0019447400000000 ] - [ 0.0001226200000000, 0.0000374100000000, -0.0004072200000000 ] - [ -0.0001530100000000, 0.0002410600000000, 0.0001312500000000 ] - [ 0.0003870500000000, 0.0004651900000000, -0.0001665200000000 ] - [ 0.0000262600000000, -0.0000130100000000, 0.0002841700000000 ] - [ -0.0003612500000000, -0.0001673700000000, -0.0000867500000000 ] - [ 0.0000389000000000, -0.0000603700000000, -0.0005972200000000 ] - [ 0.0001422500000000, -0.0000401800000000, -0.0001349300000000 ] - [ 0.0276855000000000, -0.0111953800000000, -0.0000270300000000 ] - [ -0.0003945000000000, 0.0000688000000000, 0.0002838100000000 ] - [ 0.0000544400000000, -0.0001095700000000, -0.0001110800000000 ] - [ 0.0000117800000000, 0.0000052600000000, 0.0000920400000000 ] - [ 0.0010142800000000, 0.0003773700000000, 0.0000755200000000 ] - [ -0.0001699200000000, 0.0008115700000000, -0.0001310500000000 ] - [ -0.0002561600000000, -0.0001854000000000, -0.0002477000000000 ] - [ -0.1405243500000000, 0.0880203100000000, 0.0388006400000000 ] - [ 0.0000381600000000, -0.0001513900000000, -0.0001990800000000 ] - [ -0.0013082800000000, 0.0011227300000000, -0.0003649800000000 ] - [ 0.0000126600000000, 0.0001210100000000, 0.0000263200000000 ] - [ -0.0000574000000000, 0.0000390700000000, 0.0000383200000000 ] - [ -0.0000930800000000, -0.0000677400000000, 0.0000438800000000 ] - [ -0.0000124300000000, 0.0000117200000000, 0.0001575000000000 ] - [ 0.0030645200000000, -0.0038048700000000, 0.0003593100000000 ] - [ 0.0003094500000000, 0.0000023000000000, 0.0000110700000000 ] - [ 0.0000284000000000, 0.0000637600000000, -0.0006136100000000 ] - [ 0.0170143700000000, -0.0078213600000000, 0.0003882200000000 ] - [ -0.0005813200000000, -0.0002962500000000, 0.0007292100000000 ] - [ -0.0000418100000000, -0.0000293400000000, 0.0000394800000000 ] - [ 0.0000475500000000, 0.0000346100000000, 0.0000375500000000 ] - [ -0.0000065700000000, 0.0000006100000000, -0.0003591800000000 ] - [ -0.0000102400000000, 0.0000648800000000, 0.0000601300000000 ] - [ -0.0007719700000000, 0.0008204600000000, -0.0007091500000000 ] - [ -0.0010359700000000, -0.0014752600000000, -0.0012695000000000 ] - [ 0.0009036300000000, 0.0020633500000000, 0.0017120000000000 ] - [ 0.0004323800000000, -0.0003537800000000, -0.0007031800000000 ] - [ 0.0000217200000000, 0.0000334300000000, -0.0002009700000000 ] - [ -0.0046022900000000, 0.0014517500000000, -0.0046667000000000 ] - [ 0.0008989200000000, -0.0025069000000000, 0.0011315600000000 ] - [ 0.0024148600000000, 0.0052333200000000, -0.0075459700000000 ] - [ 0.0043375300000000, -0.0027830600000000, 0.0158388800000000 ] - [ 0.0009353100000000, 0.0002967700000000, 0.0002987000000000 ] - [ 0.0001602900000000, -0.0000094700000000, -0.0000111000000000 ] - [ 0.0000560500000000, 0.0000939500000000, -0.0001172700000000 ] - [ -0.0012579600000000, 0.0043788800000000, 0.0008948400000000 ] - [ 0.0001339500000000, -0.0000211000000000, -0.0001235300000000 ] - [ 0.0010137000000000, -0.0019450900000000, 0.0008930600000000 ] - [ 0.0015354100000000, -0.0016319900000000, 0.0017394600000000 ] - [ 0.0000377400000000, 0.0001277300000000, -0.0001250300000000 ] - [ -0.0010140100000000, -0.0016108800000000, -0.0016140800000000 ] - [ 0.0033914900000000, 0.0017686800000000, 0.0008021800000000 ] - [ -0.0003173500000000, -0.0002706100000000, -0.0002142100000000 ] - [ 0.0001822000000000, 0.0000591500000000, -0.0003083900000000 ] - [ 0.0002140600000000, -0.0008571200000000, 0.0005076900000000 ] - [ -0.0002201700000000, 0.0002228000000000, -0.0002194100000000 ] - [ -0.0001395500000000, 0.0002415700000000, 0.0000430500000000 ] - [ 0.0001286900000000, -0.0000204500000000, 0.0000768400000000 ] - [ -0.0001663400000000, -0.0002868500000000, -0.0000138100000000 ] - [ -0.0000646900000000, 0.0001266800000000, -0.0000369500000000 ] - [ -0.0001521200000000, 0.0000455300000000, -0.0000228600000000 ] - [ 0.0000605400000000, -0.0000273000000000, 0.0000468800000000 ] - [ 0.0013845200000000, -0.0022854900000000, -0.0026728800000000 ] - [ -0.0000372100000000, -0.0000087900000000, -0.0002014000000000 ] - [ 0.0003812500000000, 0.0000548500000000, -0.0002796300000000 ] - [ 0.0000986900000000, -0.0003992900000000, -0.0003103200000000 ] - [ 0.0033628000000000, 0.0040499700000000, -0.0082584200000000 ] - [ 0.0000447400000000, -0.0000178000000000, 0.0002464900000000 ] - [ -0.0001120900000000, 0.0000025000000000, -0.0001141600000000 ] - [ 0.0022046200000000, -0.0047033800000000, 0.0007343100000000 ] - [ -0.0000632700000000, -0.0001083800000000, -0.0001217600000000 ] - [ -0.0002424200000000, -0.0003547200000000, -0.0000016900000000 ] - [ -0.0000686600000000, -0.0000046800000000, -0.0006076700000000 ] - [ 0.0007441900000000, -0.0007069900000000, -0.0004395600000000 ] - [ 0.0014830400000000, -0.0021421300000000, -0.0019684600000000 ] - [ -0.0000064000000000, -0.0000783200000000, 0.0000446400000000 ] - [ -0.0020596200000000, -0.0225128600000000, -0.0027460500000000 ] - [ 0.0021289100000000, -0.0002075700000000, -0.0010949100000000 ] - [ -0.0001148500000000, 0.0000447000000000, 0.0000782000000000 ] - [ 0.0000051200000000, -0.0003039400000000, -0.0008554100000000 ] - [ 0.0003120800000000, -0.0010728200000000, 0.0012458800000000 ] - [ 0.0000104600000000, 0.0000073500000000, -0.0003391400000000 ] - [ 0.0027771500000000, -0.0033301700000000, 0.0008133200000000 ] - [ 0.0000631100000000, -0.0000922600000000, -0.0001164600000000 ] - [ -0.0000801100000000, -0.0001188800000000, -0.0000201100000000 ] - [ -0.0002824600000000, 0.0023133600000000, 0.0003155400000000 ] - [ 0.0019549200000000, -0.0003741000000000, -0.0012585500000000 ] - [ -0.0004789200000000, -0.0006328000000000, -0.0014822900000000 ] - [ -0.0005327700000000, -0.0002337800000000, 0.0034394200000000 ] - [ -0.0004877400000000, 0.0003334000000000, 0.0005069900000000 ] - [ -0.0066438000000000, 0.0008081900000000, -0.0072640200000000 ] - [ 0.0000131900000000, -0.0000269400000000, -0.0002031300000000 ] - [ -0.0003980700000000, -0.0002522200000000, -0.0002268800000000 ] - [ -0.0001151500000000, 0.0000056700000000, -0.0001178500000000 ] - [ 0.0011031900000000, 0.0002615100000000, -0.0015708100000000 ] - [ 0.0000275300000000, 0.0001326100000000, -0.0000748700000000 ] - [ 0.0006592800000000, 0.0000634700000000, 0.0000984700000000 ] - [ 0.0008465200000000, 0.0014505100000000, 0.0013850200000000 ] - [ -0.0005944300000000, 0.0044144800000000, 0.0003067500000000 ] - [ 0.0000759300000000, 0.0001023900000000, 0.0000534100000000 ] - [ 0.0005585200000000, -0.0003393000000000, 0.0005043600000000 ] - [ 0.0002768800000000, 0.0001732600000000, -0.0002557300000000 ] - [ -0.0000208500000000, -0.0001191200000000, -0.0004212000000000 ] - [ -0.0000828100000000, -0.0000517400000000, -0.0000930400000000 ] - [ -0.0000061100000000, -0.0001216900000000, 0.0001051300000000 ] - [ -0.0022714600000000, 0.0001861000000000, 0.0011540800000000 ] - [ 0.0000529300000000, 0.0001007000000000, -0.0001131300000000 ] - [ -0.0026850500000000, -0.0009962300000000, 0.0006251900000000 ] - [ -0.0001228300000000, -0.0000046500000000, -0.0001577700000000 ] - [ -0.0000721200000000, 0.0001275200000000, -0.0001105500000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001421400000000, 0.0000303000000000, -0.0018073200000000 ] - [ 0.0004306100000000, -0.0012674500000000, -0.0024507600000000 ] - [ 0.0000008000000000, 0.0000243600000000, -0.0010670900000000 ] - [ -0.0002254000000000, -0.0000768200000000, -0.0018048700000000 ] - [ 0.0002045200000000, 0.0000540100000000, -0.0024179600000000 ] - [ 0.0001584300000000, 0.0000580000000000, -0.0009020700000000 ] - [ 0.0003616700000000, -0.0018888700000000, 0.0070702200000000 ] - [ 0.0000099700000000, -0.0000013500000000, -0.0012844800000000 ] - [ -0.0001503900000000, 0.0002962600000000, -0.0015657300000000 ] - [ -0.0000176700000000, -0.0000364200000000, -0.0019404000000000 ] - [ 0.0001150500000000, 0.0002195400000000, -0.0012819100000000 ] - [ 0.0001805700000000, 0.0053411100000000, -0.0047812900000000 ] - [ 0.0003080800000000, -0.0013254500000000, -0.0012638600000000 ] - [ 0.0000051900000000, 0.0000007500000000, -0.0011255000000000 ] - [ 0.0003617300000000, 0.0002251400000000, -0.0078890200000000 ] - [ -0.0001509400000000, 0.0005964600000000, 0.0006712200000000 ] - [ -0.0002627900000000, 0.0001385100000000, -0.0016248700000000 ] - [ 0.0085848000000000, 0.0027240600000000, 0.0316335400000000 ] - [ -0.0000808300000000, -0.0003207800000000, -0.0016083400000000 ] - [ 0.0000483900000000, 0.0001233000000000, -0.0010890100000000 ] - [ -0.0003153300000000, -0.0003439000000000, 0.0038855500000000 ] - [ -0.0000529400000000, -0.0001066700000000, -0.0013777700000000 ] - [ -0.0033285000000000, -0.0045807200000000, 0.0060702900000000 ] - [ 0.0003066600000000, 0.0000023700000000, -0.0017016300000000 ] - [ 0.0000178100000000, 0.0000484200000000, -0.0011200700000000 ] - [ 0.0026439700000000, 0.0038429300000000, -0.0014225500000000 ] - [ 0.0004766100000000, 0.0000067100000000, -0.0011406800000000 ] - [ -0.0007784400000000, -0.0003814300000000, 0.0035440600000000 ] - [ -0.0000643100000000, 0.0000040100000000, -0.0011226100000000 ] - [ -0.0002676600000000, -0.0000106400000000, -0.0012692200000000 ] - [ -0.0001479800000000, -0.0000323800000000, 0.0035623800000000 ] - [ 0.0000895200000000, -0.0001321600000000, -0.0010456300000000 ] - [ 0.0001280500000000, -0.0002361700000000, -0.0012722800000000 ] - [ -0.0000463700000000, -0.0002018600000000, -0.0015881300000000 ] - [ 0.0001461900000000, -0.0000460100000000, 0.0006486000000000 ] - [ -0.0017853900000000, 0.0022429200000000, 0.0005981500000000 ] - [ -0.0052397100000000, 0.0008838400000000, -0.0017350900000000 ] - [ 0.0001656500000000, -0.0002537200000000, -0.0013021400000000 ] - [ 0.0016281600000000, 0.0077609500000000, 0.0057064400000000 ] - [ 0.0028238000000000, -0.0043247800000000, -0.0013876100000000 ] - [ 0.0000716200000000, 0.0002387800000000, -0.0022100700000000 ] - [ -0.0002875400000000, 0.0001627000000000, 0.0006202200000000 ] - [ -0.0020867900000000, 0.0065543500000000, 0.0293819900000000 ] - [ -0.0001341400000000, -0.0000041600000000, -0.0010464100000000 ] - [ 0.0000764600000000, -0.0004641900000000, 0.0006194300000000 ] - [ -0.0315353800000000, 0.0030312900000000, 0.0338559900000000 ] - [ 0.0002124400000000, -0.0001029700000000, -0.0015601400000000 ] - [ -0.0000278100000000, 0.0007941500000000, 0.0040191500000000 ] - [ -0.0002858100000000, 0.0000088100000000, -0.0013241200000000 ] - [ 0.0003554600000000, 0.0012967200000000, -0.0019055400000000 ] - [ -0.0000789600000000, 0.0000687300000000, -0.0016676900000000 ] - [ 0.0000893900000000, 0.0000018100000000, -0.0008444700000000 ] - [ 0.0013519600000000, -0.0011899600000000, -0.0003287400000000 ] - [ 0.0000417200000000, -0.0000446800000000, -0.0011523000000000 ] - [ 0.0000051400000000, 0.0001738700000000, -0.0012346200000000 ] - [ -0.0000001900000000, 0.0000023900000000, -0.0011505400000000 ] - [ 0.0001432500000000, 0.0002316300000000, -0.0012724900000000 ] - [ 0.0003252700000000, -0.0000500900000000, 0.0041738200000000 ] - [ -0.0057537200000000, 0.0026679200000000, -0.0044381500000000 ] - [ -0.0053115300000000, -0.0008453000000000, -0.0019066200000000 ] - [ 0.0001496200000000, 0.0000011800000000, -0.0013459500000000 ] - [ 0.0005389600000000, -0.0002072300000000, 0.0037587700000000 ] - [ 0.0000116200000000, -0.0007630900000000, 0.0040284700000000 ] - [ 0.0006308000000000, 0.0002576100000000, -0.0001007000000000 ] - [ 0.0001686300000000, -0.0000516900000000, -0.0009784100000000 ] - [ 0.0004957500000000, -0.0017693000000000, 0.0034430100000000 ] - [ 0.0055100600000000, 0.0005447000000000, 0.0070548600000000 ] - [ -0.0001337900000000, 0.0002226300000000, -0.0014739100000000 ] - [ -0.0000898800000000, 0.0001454900000000, -0.0013607000000000 ] - [ -0.0002758900000000, 0.0005034000000000, 0.0004663600000000 ] - [ -0.0000129400000000, 0.0000330800000000, -0.0013730900000000 ] - [ -0.0000759300000000, -0.0002405400000000, -0.0000881600000000 ] - [ 0.0000211900000000, -0.0000374100000000, 0.0006628100000000 ] - [ -0.0000358600000000, -0.0002061700000000, 0.0009641600000000 ] - [ -0.0033375400000000, 0.0022752300000000, -0.0077856000000000 ] - [ 0.0012386800000000, 0.0004599600000000, -0.0018568100000000 ] - [ 0.0000314100000000, -0.0000541800000000, 0.0009885500000000 ] - [ -0.0002273400000000, 0.0002765700000000, 0.0014055200000000 ] - [ -0.0008192400000000, -0.0007377400000000, -0.0018569300000000 ] - [ 0.0010484200000000, -0.0001918400000000, 0.0022849600000000 ] - [ -0.0003249300000000, 0.0000599400000000, 0.0005432200000000 ] - [ 0.0282064500000000, -0.0304869500000000, -0.1370869300000000 ] - [ 0.0000709000000000, -0.0000927300000000, 0.0011215000000000 ] - [ -0.0003345400000000, -0.0011655700000000, 0.0018667600000000 ] - [ 0.0000509700000000, 0.0001209700000000, 0.0012143600000000 ] - [ 0.0001062800000000, 0.0001355600000000, 0.0010928100000000 ] - [ -0.0001508800000000, 0.0000298700000000, 0.0011639400000000 ] - [ -0.0000511400000000, -0.0001598200000000, 0.0011078200000000 ] - [ 0.0001218000000000, 0.0004059400000000, -0.0025109800000000 ] - [ 0.0004805400000000, 0.0000104800000000, 0.0011406900000000 ] - [ 0.0000217700000000, 0.0000377700000000, 0.0006887500000000 ] - [ -0.0006355500000000, -0.0010534000000000, -0.0061481800000000 ] - [ 0.0010297200000000, 0.0007317500000000, -0.0012725900000000 ] - [ 0.0000795700000000, -0.0001584900000000, 0.0011000500000000 ] - [ 0.0000746200000000, -0.0001635500000000, 0.0011436500000000 ] - [ -0.0000044500000000, 0.0000278400000000, 0.0010001300000000 ] - [ -0.0001563300000000, -0.0000248300000000, 0.0011060800000000 ] - [ -0.0001849100000000, -0.0003943100000000, 0.0026978200000000 ] - [ -0.0003217300000000, 0.0001263000000000, -0.0016539000000000 ] - [ 0.0030262400000000, -0.0002720600000000, -0.0020058600000000 ] - [ -0.0003000500000000, 0.0000563000000000, 0.0008660600000000 ] - [ -0.0000206100000000, -0.0000399500000000, 0.0009704700000000 ] - [ 0.0074661300000000, 0.0111384800000000, 0.0126268800000000 ] - [ -0.0001365800000000, -0.0010183900000000, -0.0018740800000000 ] - [ -0.0163115200000000, -0.0016041400000000, 0.0122407800000000 ] - [ 0.0095007000000000, -0.0110060000000000, 0.0138108800000000 ] - [ -0.0015341300000000, -0.0005863800000000, -0.0016929800000000 ] - [ 0.0001934100000000, 0.0000101600000000, 0.0011056600000000 ] - [ 0.0000308900000000, 0.0000605300000000, 0.0009915700000000 ] - [ 0.0001820000000000, -0.0011789600000000, -0.0055068000000000 ] - [ 0.0001356000000000, 0.0000082500000000, 0.0008008900000000 ] - [ 0.0004966500000000, -0.0000457500000000, -0.0019311600000000 ] - [ 0.0012626400000000, -0.0007348300000000, -0.0012918500000000 ] - [ 0.0000051200000000, 0.0002981000000000, 0.0012342100000000 ] - [ -0.0003135100000000, 0.0014754600000000, -0.0013938100000000 ] - [ -0.0000727300000000, -0.0001432900000000, -0.0028159700000000 ] - [ -0.0000397600000000, -0.0005438900000000, 0.0007359600000000 ] - [ -0.0001434200000000, -0.0000027900000000, 0.0013858000000000 ] - [ -0.0002562700000000, -0.0000468900000000, -0.0003051300000000 ] - [ -0.0002407500000000, 0.0002842600000000, 0.0004465600000000 ] - [ -0.0002355100000000, 0.0004123500000000, 0.0011527400000000 ] - [ 0.0000602400000000, -0.0001480200000000, 0.0011631100000000 ] - [ -0.0002168600000000, -0.0003640000000000, 0.0012006200000000 ] - [ -0.0001303100000000, 0.0001857200000000, 0.0011461800000000 ] - [ -0.0000194800000000, -0.0002378100000000, 0.0015320500000000 ] - [ 0.0000751100000000, 0.0001517700000000, 0.0010715500000000 ] - [ -0.0011779200000000, 0.0023892300000000, -0.0009663000000000 ] - [ 0.0000394200000000, 0.0000050000000000, 0.0009794600000000 ] - [ 0.0002802900000000, -0.0002838000000000, 0.0005737000000000 ] - [ -0.0001322200000000, 0.0005757500000000, -0.0000818100000000 ] - [ -0.0106572000000000, 0.0005368100000000, 0.0112876600000000 ] - [ 0.0002619900000000, -0.0000030700000000, 0.0011602100000000 ] - [ -0.0000608400000000, -0.0000012100000000, 0.0009960700000000 ] - [ -0.0008426800000000, 0.0005931200000000, -0.0026489400000000 ] - [ -0.0000821700000000, -0.0001369200000000, 0.0008006900000000 ] - [ -0.0000210700000000, -0.0003160800000000, 0.0005521300000000 ] - [ -0.0000457200000000, -0.0000026100000000, 0.0006630000000000 ] - [ -0.0001319800000000, 0.0001599700000000, -0.0002657800000000 ] - [ -0.0005758500000000, 0.0013349400000000, -0.0014642900000000 ] - [ -0.0001787800000000, 0.0000293800000000, 0.0010921100000000 ] - [ -0.0000312400000000, 0.0038844400000000, -0.0070705700000000 ] - [ -0.0014997300000000, 0.0005609700000000, -0.0016278500000000 ] - [ -0.0001643300000000, -0.0000399200000000, 0.0011802400000000 ] - [ 0.0009838600000000, 0.0016326700000000, 0.0012405600000000 ] - [ 0.0007400300000000, -0.0017487900000000, 0.0013440000000000 ] - [ 0.0000211200000000, 0.0000013300000000, 0.0009583000000000 ] - [ 0.0001623000000000, 0.0010935500000000, -0.0025257800000000 ] - [ 0.0000312500000000, -0.0000623500000000, 0.0009893200000000 ] - [ -0.0000688900000000, -0.0001526000000000, 0.0011268400000000 ] - [ 0.0013669800000000, -0.0002349900000000, 0.0021081300000000 ] - [ -0.0005955800000000, 0.0005379300000000, -0.0018564700000000 ] - [ -0.0006606500000000, 0.0009576500000000, 0.0019080100000000 ] - [ 0.0019834500000000, -0.0037865700000000, 0.0031588600000000 ] - [ -0.0001329200000000, -0.0016604200000000, -0.0000052000000000 ] - [ 0.0101335700000000, 0.0087994700000000, 0.0134890300000000 ] - [ -0.0000202200000000, 0.0000399800000000, 0.0009919300000000 ] - [ -0.0004256900000000, -0.0003809300000000, -0.0002693200000000 ] - [ -0.0000669900000000, -0.0000068800000000, 0.0009976000000000 ] - [ -0.0020558100000000, 0.0001083500000000, 0.0018275900000000 ] - [ 0.0003603800000000, 0.0000936500000000, 0.0011660500000000 ] - [ 0.0004712500000000, -0.0003608800000000, -0.0000435600000000 ] - [ 0.0019646400000000, -0.0003588000000000, -0.0016040700000000 ] - [ 0.0017860400000000, 0.0009393800000000, -0.0058380900000000 ] - [ 0.0000639000000000, 0.0001188200000000, 0.0012330600000000 ] - [ 0.0007563500000000, -0.0004842200000000, 0.0008164000000000 ] - [ 0.0002903100000000, 0.0002412200000000, -0.0000467500000000 ] - [ -0.0000056900000000, 0.0002345200000000, 0.0015020000000000 ] - [ -0.0002348700000000, 0.0000893500000000, 0.0009507500000000 ] - [ 0.0001223200000000, -0.0001286000000000, 0.0011732400000000 ] - [ -0.0011925200000000, -0.0018202300000000, -0.0016727000000000 ] - [ 0.0000332300000000, 0.0000505600000000, 0.0010098100000000 ] - [ 0.0007064300000000, 0.0006881300000000, -0.0026506000000000 ] - [ -0.0001313800000000, 0.0000055000000000, 0.0010723600000000 ] - [ -0.0000546300000000, 0.0001243900000000, 0.0008431700000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002012400000000, -0.0001308100000000, 0.0018054500000000 ] - [ -0.0004267200000000, 0.0012604700000000, 0.0024467700000000 ] - [ -0.0000006700000000, -0.0000240800000000, 0.0014701500000000 ] - [ 0.0001101900000000, 0.0000775600000000, 0.0018029800000000 ] - [ -0.0001456800000000, 0.0000487800000000, 0.0024188900000000 ] - [ -0.0001573800000000, -0.0000577400000000, 0.0009059100000000 ] - [ -0.0003681100000000, 0.0018916000000000, -0.0074865400000000 ] - [ -0.0000168500000000, -0.0000006100000000, 0.0016206200000000 ] - [ -0.0001709500000000, 0.0001193200000000, 0.0013675800000000 ] - [ 0.0000160900000000, 0.0000335900000000, 0.0010948900000000 ] - [ 0.0000331100000000, -0.0000234300000000, 0.0013623800000000 ] - [ -0.0001879400000000, -0.0052774700000000, 0.0051900400000000 ] - [ -0.0003115100000000, 0.0013278100000000, 0.0021084400000000 ] - [ -0.0000032800000000, 0.0000043400000000, 0.0017508400000000 ] - [ -0.0006045600000000, -0.0002507500000000, 0.0078356100000000 ] - [ 0.0002482900000000, -0.0003747200000000, -0.0007613400000000 ] - [ 0.0000608400000000, 0.0003461800000000, 0.0014270200000000 ] - [ -0.0097181700000000, -0.0029331600000000, -0.0327883900000000 ] - [ -0.0002391900000000, -0.0000971400000000, 0.0014115100000000 ] - [ 0.0000301400000000, 0.0000128500000000, 0.0017407100000000 ] - [ 0.0008412500000000, 0.0004086900000000, -0.0036560000000000 ] - [ -0.0002255600000000, -0.0003756300000000, 0.0012786600000000 ] - [ 0.0031259100000000, 0.0050526600000000, -0.0058191500000000 ] - [ 0.0002138800000000, -0.0000727200000000, 0.0015028200000000 ] - [ 0.0000491600000000, 0.0000675300000000, 0.0017455800000000 ] - [ -0.0029325600000000, -0.0043454400000000, 0.0015207000000000 ] - [ -0.0004859600000000, -0.0000087600000000, 0.0008004700000000 ] - [ 0.0006171000000000, 0.0003641800000000, -0.0042162700000000 ] - [ -0.0000705400000000, -0.0000032000000000, 0.0017482000000000 ] - [ 0.0000295500000000, 0.0000331200000000, 0.0013485900000000 ] - [ 0.0001477800000000, 0.0000383800000000, -0.0042070800000000 ] - [ -0.0000146900000000, -0.0000086100000000, 0.0016990500000000 ] - [ 0.0000105300000000, 0.0000411600000000, 0.0013516600000000 ] - [ -0.0001545000000000, -0.0002840400000000, 0.0013916500000000 ] - [ 0.0004134900000000, 0.0000445900000000, -0.0005564900000000 ] - [ 0.0018165500000000, -0.0022224000000000, -0.0001604200000000 ] - [ 0.0049771500000000, -0.0003978700000000, 0.0018334700000000 ] - [ -0.0000639300000000, 0.0000256800000000, 0.0013817200000000 ] - [ -0.0016304600000000, -0.0077668200000000, -0.0063832000000000 ] - [ -0.0027325600000000, 0.0041186100000000, 0.0013062600000000 ] - [ -0.0000872900000000, -0.0001953000000000, 0.0017798000000000 ] - [ 0.0000508600000000, -0.0001426200000000, -0.0007090000000000 ] - [ 0.0018370700000000, -0.0052879600000000, -0.0280441000000000 ] - [ -0.0000249700000000, -0.0000015900000000, 0.0016998600000000 ] - [ 0.0000607400000000, 0.0002718400000000, -0.0007089100000000 ] - [ 0.0318522500000000, -0.0028827900000000, -0.0341508900000000 ] - [ 0.0003080300000000, 0.0001707700000000, 0.0013627300000000 ] - [ -0.0002814800000000, -0.0003746000000000, -0.0037834300000000 ] - [ 0.0000374700000000, -0.0000346500000000, 0.0014036600000000 ] - [ -0.0003556300000000, -0.0013090200000000, 0.0015693800000000 ] - [ 0.0001732000000000, 0.0000956000000000, 0.0022315900000000 ] - [ -0.0002798700000000, -0.0000016100000000, 0.0014128000000000 ] - [ -0.0012518500000000, 0.0010208300000000, -0.0002280500000000 ] - [ 0.0000264500000000, -0.0000717200000000, 0.0017778000000000 ] - [ -0.0000250200000000, -0.0002077000000000, 0.0008118200000000 ] - [ 0.0000037000000000, 0.0000017500000000, 0.0017754900000000 ] - [ -0.0000474500000000, -0.0000054400000000, 0.0013529800000000 ] - [ -0.0002580900000000, 0.0001712600000000, -0.0048258100000000 ] - [ 0.0058147200000000, -0.0024938900000000, 0.0038533300000000 ] - [ 0.0054735200000000, 0.0010394200000000, 0.0018204500000000 ] - [ 0.0004088300000000, -0.0000019800000000, 0.0012449100000000 ] - [ -0.0006689000000000, 0.0001925500000000, -0.0044158900000000 ] - [ 0.0000582100000000, 0.0006430300000000, -0.0047083300000000 ] - [ -0.0008166200000000, -0.0002539400000000, -0.0004571700000000 ] - [ -0.0000718300000000, -0.0001133500000000, 0.0015461000000000 ] - [ -0.0008257000000000, 0.0013591000000000, -0.0032128100000000 ] - [ -0.0057014600000000, -0.0010366300000000, -0.0067998800000000 ] - [ 0.0001781700000000, -0.0002144500000000, 0.0010465400000000 ] - [ -0.0001898800000000, 0.0003376400000000, 0.0012596800000000 ] - [ 0.0002552600000000, -0.0005355300000000, -0.0000353100000000 ] - [ 0.0000148100000000, -0.0000402800000000, 0.0017095000000000 ] - [ -0.0001393200000000, 0.0003544300000000, -0.0003204000000000 ] - [ 0.0000410100000000, -0.0000721000000000, -0.0015319200000000 ] - [ 0.0001940800000000, 0.0000311200000000, -0.0008347700000000 ] - [ 0.0032807500000000, -0.0020640700000000, 0.0075024300000000 ] - [ -0.0012503500000000, -0.0004921500000000, 0.0013053000000000 ] - [ 0.0000697800000000, -0.0001341400000000, -0.0009207400000000 ] - [ 0.0002096700000000, -0.0002439900000000, -0.0008652000000000 ] - [ 0.0009341500000000, 0.0005617400000000, 0.0018001500000000 ] - [ -0.0008258300000000, 0.0005660400000000, -0.0022784100000000 ] - [ -0.0001227900000000, -0.0000624600000000, -0.0005464400000000 ] - [ -0.0261474400000000, 0.0291148000000000, 0.1359351000000000 ] - [ 0.0000023400000000, -0.0001340000000000, -0.0009929400000000 ] - [ 0.0005349800000000, 0.0013077800000000, -0.0022898500000000 ] - [ -0.0000312000000000, 0.0001191100000000, -0.0007960500000000 ] - [ -0.0001618600000000, -0.0000332300000000, -0.0007225700000000 ] - [ -0.0000640200000000, -0.0001371300000000, -0.0007467000000000 ] - [ 0.0000363400000000, 0.0001337200000000, -0.0005710500000000 ] - [ 0.0001675000000000, -0.0004031900000000, 0.0022449400000000 ] - [ 0.0002161900000000, -0.0000054700000000, -0.0007726600000000 ] - [ 0.0000399300000000, 0.0000688700000000, -0.0015574600000000 ] - [ 0.0005094200000000, 0.0011827700000000, 0.0057824900000000 ] - [ -0.0011628000000000, -0.0007374500000000, 0.0021547500000000 ] - [ -0.0001280600000000, 0.0000572000000000, -0.0007312100000000 ] - [ 0.0000408000000000, 0.0001603400000000, -0.0007717000000000 ] - [ 0.0000057200000000, -0.0000270500000000, -0.0013204000000000 ] - [ 0.0000960600000000, 0.0001231000000000, -0.0007340000000000 ] - [ -0.0001388100000000, 0.0009584400000000, -0.0026917300000000 ] - [ 0.0003561200000000, -0.0000713000000000, 0.0017530300000000 ] - [ -0.0032485300000000, 0.0002682500000000, 0.0019530500000000 ] - [ 0.0005194800000000, -0.0004435100000000, -0.0008677900000000 ] - [ 0.0000510800000000, 0.0000927000000000, -0.0010545900000000 ] - [ -0.0072030400000000, -0.0107806600000000, -0.0125759000000000 ] - [ 0.0002395700000000, 0.0008364600000000, 0.0018171000000000 ] - [ 0.0160445900000000, 0.0016272000000000, -0.0125984600000000 ] - [ -0.0095272300000000, 0.0113608600000000, -0.0140864100000000 ] - [ 0.0012945800000000, 0.0005343000000000, 0.0015516800000000 ] - [ 0.0001021400000000, -0.0000095600000000, -0.0008403400000000 ] - [ 0.0000686300000000, 0.0001231800000000, -0.0009220900000000 ] - [ -0.0001799500000000, 0.0011084600000000, 0.0051386900000000 ] - [ 0.0001237700000000, -0.0000094000000000, -0.0007861300000000 ] - [ -0.0004593400000000, 0.0000462200000000, 0.0013788400000000 ] - [ -0.0012086500000000, 0.0006268600000000, 0.0021740600000000 ] - [ 0.0001530600000000, -0.0001210600000000, -0.0011034200000000 ] - [ 0.0000768800000000, -0.0014211800000000, 0.0012469200000000 ] - [ 0.0000727400000000, 0.0001442700000000, 0.0031299600000000 ] - [ -0.0003635800000000, -0.0001576600000000, -0.0010531300000000 ] - [ 0.0001436400000000, 0.0000017600000000, -0.0013849300000000 ] - [ -0.0001529000000000, 0.0007372500000000, 0.0006173700000000 ] - [ -0.0001694400000000, 0.0004091800000000, -0.0007637800000000 ] - [ -0.0001084400000000, 0.0001936200000000, -0.0007845700000000 ] - [ 0.0001453200000000, 0.0000180600000000, -0.0007485800000000 ] - [ -0.0001302500000000, -0.0002372600000000, -0.0008365700000000 ] - [ -0.0000173000000000, 0.0000707400000000, -0.0008809100000000 ] - [ 0.0000191400000000, 0.0002376200000000, -0.0015316400000000 ] - [ 0.0000413800000000, -0.0001487400000000, -0.0007014700000000 ] - [ 0.0012481100000000, -0.0026028600000000, 0.0008243100000000 ] - [ -0.0000970400000000, -0.0000049400000000, -0.0010627800000000 ] - [ 0.0005249500000000, 0.0002743100000000, -0.0008903700000000 ] - [ -0.0002114400000000, 0.0000292000000000, -0.0002812800000000 ] - [ 0.0108684900000000, -0.0004391800000000, -0.0105647200000000 ] - [ -0.0002254200000000, 0.0000043800000000, -0.0006208000000000 ] - [ -0.0001531700000000, -0.0000054400000000, -0.0009283700000000 ] - [ 0.0007804300000000, -0.0006867100000000, 0.0022820000000000 ] - [ -0.0000491800000000, -0.0000906700000000, -0.0007858800000000 ] - [ -0.0002975200000000, -0.0002371400000000, -0.0005554300000000 ] - [ -0.0000802900000000, 0.0000017300000000, -0.0015323500000000 ] - [ 0.0003905900000000, -0.0001622800000000, 0.0002573400000000 ] - [ 0.0005177100000000, -0.0013375700000000, 0.0015629100000000 ] - [ 0.0001154300000000, -0.0001218100000000, -0.0007233100000000 ] - [ 0.0000358400000000, -0.0039696200000000, 0.0073545000000000 ] - [ 0.0016506300000000, -0.0007326800000000, 0.0014816300000000 ] - [ -0.0000508700000000, 0.0001530300000000, -0.0007657700000000 ] - [ -0.0002898200000000, -0.0016361200000000, -0.0016124100000000 ] - [ -0.0007293000000000, 0.0015166300000000, -0.0017657400000000 ] - [ -0.0000210600000000, 0.0000000500000000, -0.0012790100000000 ] - [ -0.0000448500000000, -0.0010889500000000, 0.0021549900000000 ] - [ 0.0000774500000000, -0.0001190100000000, -0.0009217700000000 ] - [ -0.0000785500000000, -0.0001029400000000, -0.0008620200000000 ] - [ -0.0015024700000000, 0.0004584800000000, -0.0021249000000000 ] - [ 0.0006965000000000, -0.0003564500000000, 0.0018017600000000 ] - [ 0.0003148900000000, -0.0015638200000000, -0.0022777800000000 ] - [ -0.0023659700000000, 0.0030531000000000, -0.0028008100000000 ] - [ 0.0009357400000000, 0.0016447400000000, 0.0003175400000000 ] - [ -0.0102296200000000, -0.0089952900000000, -0.0135892000000000 ] - [ 0.0000490400000000, -0.0000899900000000, -0.0010752600000000 ] - [ 0.0002967800000000, 0.0001567900000000, 0.0002623900000000 ] - [ -0.0001437400000000, 0.0000103900000000, -0.0009297300000000 ] - [ 0.0020862900000000, 0.0001327900000000, -0.0022550900000000 ] - [ -0.0002854900000000, 0.0001315900000000, -0.0010355500000000 ] - [ -0.0002672900000000, 0.0002316600000000, -0.0003649100000000 ] - [ -0.0018799000000000, 0.0005852700000000, 0.0014599000000000 ] - [ -0.0019708100000000, -0.0012132400000000, 0.0055572800000000 ] - [ 0.0001342300000000, 0.0000183500000000, -0.0008148900000000 ] - [ -0.0001007300000000, 0.0004838100000000, -0.0008180000000000 ] - [ -0.0005074400000000, -0.0003498900000000, -0.0003649900000000 ] - [ 0.0000046200000000, -0.0002374100000000, -0.0015011800000000 ] - [ 0.0000013000000000, -0.0001387500000000, -0.0008234900000000 ] - [ -0.0001077100000000, -0.0001111100000000, -0.0007559500000000 ] - [ 0.0009852800000000, 0.0018324000000000, 0.0016161000000000 ] - [ 0.0000760600000000, 0.0001271700000000, -0.0009401700000000 ] - [ -0.0007631100000000, -0.0005865300000000, 0.0022803800000000 ] - [ -0.0000989700000000, 0.0000448600000000, -0.0009421500000000 ] - [ -0.0000760600000000, 0.0000995900000000, -0.0008284600000000 ]- atom: 90 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0017839100000000, -0.0024304800000000, 0.0018987300000000 ] - [ -0.0000051200000000, -0.0000046400000000, 0.0001043000000000 ] - [ -0.0002428200000000, 0.0026390600000000, -0.0006022700000000 ] - [ -0.0041157600000000, 0.0047866100000000, -0.0010533600000000 ] - [ -0.0001426700000000, 0.0003519000000000, -0.0002154700000000 ] - [ 0.0000145500000000, -0.0000362200000000, 0.0001011500000000 ] - [ -0.0000242700000000, 0.0000149700000000, -0.0000864600000000 ] - [ 0.0043246800000000, -0.0074190600000000, -0.0018906800000000 ] - [ 0.0000868200000000, -0.0000508200000000, 0.0001759400000000 ] - [ -0.0621494500000000, 0.0206979100000000, -0.0187826500000000 ] - [ -0.0226412700000000, 0.0460392200000000, -0.0191058900000000 ] - [ -0.0000114300000000, 0.0000245100000000, 0.0003099700000000 ] - [ -0.0007643000000000, -0.0000878800000000, 0.0035019100000000 ] - [ 0.0023977900000000, -0.0023635600000000, 0.0013534900000000 ] - [ -0.0004642400000000, 0.0003211100000000, 0.0001431100000000 ] - [ 0.0005018900000000, 0.0001547400000000, 0.0002973400000000 ] - [ -0.0004379200000000, 0.0002383600000000, -0.0002999100000000 ] - [ -0.0000103600000000, -0.0000505400000000, -0.0002568100000000 ] - [ 0.0000900700000000, 0.0000583500000000, 0.0000577200000000 ] - [ -0.0009235300000000, -0.0004527700000000, 0.0003253300000000 ] - [ 0.0002609800000000, 0.0000137300000000, 0.0001906600000000 ] - [ -0.0040145700000000, -0.0057582200000000, -0.0028777700000000 ] - [ -0.0001147100000000, 0.0002477800000000, 0.0001802500000000 ] - [ 0.0002709600000000, -0.0004183700000000, 0.0003087500000000 ] - [ -0.0024638400000000, -0.0022717900000000, -0.0032935900000000 ] - [ -0.0001962400000000, -0.0003325700000000, 0.0001590900000000 ] - [ 0.0002270100000000, -0.0004665500000000, -0.0010626400000000 ] - [ -0.0000918400000000, 0.0000058400000000, -0.0003316900000000 ] - [ 0.0013055200000000, 0.0005265300000000, 0.0002881800000000 ] - [ 0.0055218600000000, -0.0087754700000000, -0.0041881000000000 ] - [ 0.0000514500000000, -0.0000782500000000, -0.0002957100000000 ] - [ 0.0014174500000000, -0.0008587700000000, -0.0004985300000000 ] - [ -0.0067284000000000, 0.0334044800000000, 0.0068620500000000 ] - [ 0.0002866200000000, -0.0007242900000000, 0.0005056400000000 ] - [ 0.0006829400000000, -0.0000661200000000, -0.0003515100000000 ] - [ 0.0000220900000000, 0.0000097100000000, 0.0002927600000000 ] - [ -0.0000738500000000, -0.0000230900000000, 0.0001092600000000 ] - [ 0.0013726100000000, 0.0006517600000000, -0.0002351700000000 ] - [ 0.0000337100000000, 0.0000609700000000, -0.0003076900000000 ] - [ 0.0005327500000000, -0.0000484500000000, 0.0001927600000000 ] - [ -0.0000931200000000, 0.0001399100000000, -0.0000230100000000 ] - [ -0.0002044800000000, -0.0003269900000000, 0.0003445600000000 ] - [ 0.0002596500000000, -0.0000260700000000, 0.0001862700000000 ] - [ -0.0006956100000000, 0.0011071300000000, 0.0034444800000000 ] - [ -0.0005326600000000, 0.0000420700000000, -0.0000952800000000 ] - [ 0.0000373500000000, 0.0000794400000000, -0.0002056400000000 ] - [ 0.0001625100000000, -0.0006346800000000, -0.0005762900000000 ] - [ -0.0001418800000000, 0.0002054600000000, 0.0001817100000000 ] - [ -0.0078158700000000, -0.0017305600000000, 0.0010482200000000 ] - [ 0.0003093100000000, 0.0004507300000000, -0.0001160000000000 ] - [ -0.0000256100000000, 0.0000693600000000, 0.0003805900000000 ] - [ -0.0001418200000000, 0.0001278500000000, 0.0004522400000000 ] - [ 0.0000507900000000, -0.0000840700000000, -0.0002072100000000 ] - [ 0.0005951300000000, -0.0020091800000000, 0.0031274900000000 ] - [ -0.0000302200000000, 0.0001009100000000, -0.0002771000000000 ] - [ -0.0014902400000000, -0.0003562700000000, 0.0002167200000000 ] - [ 0.0065216200000000, 0.0008178900000000, -0.0034586900000000 ] - [ -0.0000298000000000, 0.0000370800000000, -0.0002036900000000 ] - [ 0.0000423900000000, 0.0000777300000000, -0.0001993600000000 ] - [ -0.0002928500000000, 0.0001913200000000, -0.0002437900000000 ] - [ 0.0055446700000000, 0.0056942100000000, 0.0013851000000000 ] - [ 0.0000312200000000, -0.0000013100000000, -0.0002363100000000 ] - [ 0.0000577200000000, -0.0000909400000000, -0.0001944700000000 ] - [ -0.0000974900000000, 0.0000026900000000, -0.0001911800000000 ] - [ 0.0001715300000000, -0.0001211500000000, 0.0002906000000000 ] - [ -0.0001396700000000, -0.0002069600000000, 0.0001804800000000 ] - [ -0.0001030900000000, -0.0002511900000000, 0.0001768600000000 ] - [ 0.0000955200000000, 0.0000615400000000, -0.0001549600000000 ] - [ 0.0036180300000000, -0.0065219100000000, 0.0022930400000000 ] - [ -0.0000117500000000, -0.0000052400000000, 0.0002745000000000 ] - [ -0.0013752500000000, -0.0009520600000000, 0.0001819000000000 ] - [ -0.0002803100000000, -0.0006647600000000, 0.0008029600000000 ] - [ -0.0019135300000000, 0.0020085300000000, 0.0011122900000000 ] - [ -0.0000833900000000, 0.0001415700000000, 0.0001473300000000 ] - [ -0.0000767300000000, 0.0001484200000000, -0.0001864600000000 ] - [ -0.0000101100000000, -0.0000276700000000, -0.0003184400000000 ] - [ -0.0008653000000000, -0.0005961300000000, 0.0003447200000000 ] - [ 0.0000201400000000, 0.0000812700000000, -0.0000123000000000 ] - [ 0.0000447900000000, -0.0000254600000000, -0.0001300700000000 ] - [ 0.0001187300000000, 0.0001893300000000, -0.0000748800000000 ] - [ -0.0002191900000000, -0.0000183400000000, -0.0000995700000000 ] - [ 0.0000690200000000, -0.0000173100000000, -0.0002440700000000 ] - [ -0.0000003400000000, -0.0000256100000000, 0.0000023200000000 ] - [ 0.0001723800000000, -0.0000974000000000, -0.0002359700000000 ] - [ -0.0018597000000000, 0.0036908400000000, 0.0001719800000000 ] - [ 0.0012669200000000, -0.0010449400000000, 0.0006731100000000 ] - [ -0.0215976300000000, 0.0099697700000000, 0.0003397800000000 ] - [ 0.0001257800000000, -0.0000609000000000, 0.0004304200000000 ] - [ 0.0001375300000000, -0.0000012900000000, -0.0001662400000000 ] - [ 0.1248757400000000, -0.1410408600000000, 0.0422168500000000 ] - [ 0.0009816100000000, 0.0006156500000000, -0.0001833600000000 ] - [ -0.0000627000000000, 0.0000429700000000, -0.0002485700000000 ] - [ 0.0000627200000000, 0.0000032800000000, 0.0005292100000000 ] - [ -0.0001894000000000, 0.0000125200000000, -0.0011492500000000 ] - [ 0.0007388500000000, 0.0005034400000000, -0.0009101300000000 ] - [ 0.0003406800000000, 0.0001780900000000, -0.0002068800000000 ] - [ -0.0003015800000000, -0.0000180800000000, 0.0001454300000000 ] - [ -0.0001507000000000, 0.0002674200000000, -0.0001141600000000 ] - [ 0.0001033200000000, -0.0000084200000000, -0.0001357200000000 ] - [ -0.0000936200000000, 0.0000849000000000, 0.0000079700000000 ] - [ 0.0000929400000000, -0.0001872000000000, -0.0000568800000000 ] - [ -0.0006014400000000, 0.0066879300000000, 0.0138022800000000 ] - [ 0.0000789400000000, 0.0000956400000000, -0.0001239000000000 ] - [ -0.0000950200000000, -0.0000861200000000, -0.0000074400000000 ] - [ -0.0000138300000000, 0.0000306200000000, -0.0003280000000000 ] - [ 0.0000656500000000, 0.0001260800000000, -0.0000616900000000 ] - [ -0.0001216300000000, -0.0000133500000000, -0.0001212200000000 ] - [ -0.0004948800000000, -0.0001917400000000, -0.0006889300000000 ] - [ -0.0019964500000000, 0.0001334500000000, -0.0010144200000000 ] - [ -0.0000000300000000, -0.0000459600000000, -0.0002177500000000 ] - [ -0.0026309200000000, -0.0017450900000000, 0.0001843300000000 ] - [ 0.0000235200000000, -0.0000009100000000, -0.0003228400000000 ] - [ -0.0000256700000000, 0.0000638200000000, 0.0002442200000000 ] - [ 0.0002405300000000, 0.0001925900000000, -0.0000580700000000 ] - [ -0.0001175800000000, 0.0000133900000000, -0.0001239400000000 ] - [ -0.0000101500000000, 0.0000122700000000, 0.0001038700000000 ] - [ -0.0001836100000000, -0.0004128600000000, -0.0001970000000000 ] - [ -0.0010223500000000, 0.0015278200000000, 0.0015135900000000 ] - [ -0.0002099700000000, 0.0003431000000000, 0.0001204500000000 ] - [ -0.0002536000000000, 0.0002933400000000, -0.0001281100000000 ] - [ -0.0166627800000000, 0.0064700600000000, 0.0017274700000000 ] - [ -0.0026489500000000, 0.0047412400000000, 0.0000608500000000 ] - [ 0.0027304000000000, -0.0040373800000000, 0.0006611200000000 ] - [ -0.0003642000000000, 0.0008045000000000, -0.0002915100000000 ] - [ 0.0000970100000000, -0.0001243200000000, -0.0000544800000000 ] - [ -0.0006088300000000, 0.0008975600000000, 0.0019164500000000 ] - [ 0.0000403800000000, -0.0001101900000000, -0.0001207800000000 ] - [ -0.0012496800000000, -0.0012102200000000, 0.0009404900000000 ] - [ 0.0004584100000000, -0.0001164400000000, -0.0002087300000000 ] - [ -0.0003568100000000, 0.0006830900000000, -0.0009812800000000 ] - [ -0.0000495400000000, -0.0000641800000000, 0.0002616900000000 ] - [ -0.0001551200000000, -0.0000433500000000, 0.0001138400000000 ] - [ -0.0019017900000000, 0.0023377000000000, -0.0024409200000000 ] - [ -0.0000685200000000, -0.0000419000000000, -0.0002474400000000 ] - [ 0.0029276800000000, 0.0183751500000000, 0.0044739200000000 ] - [ -0.0001545700000000, -0.0002949800000000, -0.0000252000000000 ] - [ -0.0054220700000000, -0.0054311700000000, -0.0121971300000000 ] - [ -0.0003006100000000, -0.0000458400000000, -0.0000535500000000 ] - [ -0.0001543900000000, -0.0000076200000000, -0.0001290400000000 ] - [ -0.0005034400000000, -0.0001863100000000, 0.0004399700000000 ] - [ 0.0000007300000000, -0.0000042500000000, 0.0001062200000000 ] - [ 0.0000733600000000, -0.0000886000000000, -0.0001232700000000 ] - [ 0.0025979800000000, -0.0044424900000000, 0.0010122000000000 ] - [ 0.0013870100000000, -0.0001010300000000, -0.0004010900000000 ] - [ -0.0003356300000000, -0.0001001900000000, -0.0004454400000000 ] - [ -0.0004937300000000, 0.0005607800000000, -0.0003564400000000 ] - [ 0.0000640200000000, 0.0000209300000000, -0.0002588700000000 ] - [ -0.0010677400000000, 0.0033475400000000, 0.0019134400000000 ] - [ 0.0002983000000000, 0.0001957300000000, 0.0005970900000000 ] - [ 0.0001214500000000, 0.0001487900000000, 0.0001937600000000 ] - [ -0.0000627600000000, 0.0000748400000000, -0.0000122400000000 ] - [ -0.0004082600000000, -0.0009963900000000, -0.0011852000000000 ] - [ -0.0001966300000000, -0.0003520900000000, 0.0001128400000000 ] - [ 0.0004087200000000, -0.0000158500000000, 0.0001157400000000 ] - [ 0.0001319200000000, -0.0000642700000000, -0.0000223700000000 ] - [ 0.0041030200000000, 0.0030954800000000, -0.0082965400000000 ] - [ 0.0001526900000000, -0.0000400000000000, -0.0003362900000000 ] - [ 0.0029934400000000, 0.0003295400000000, 0.0018167900000000 ] - [ -0.0003029500000000, 0.0001519000000000, -0.0000314400000000 ] - [ -0.0000113400000000, 0.0002152600000000, 0.0000350100000000 ] - [ 0.0002120200000000, 0.0004310900000000, -0.0002415400000000 ] - [ 0.0000437900000000, 0.0001145000000000, -0.0001241500000000 ] - [ -0.0000682300000000, -0.0001440100000000, -0.0001910600000000 ] - [ 0.0030692400000000, 0.0015869100000000, 0.0003995100000000 ] - [ 0.0003111000000000, -0.0000104200000000, -0.0000782800000000 ] - [ -0.0001643300000000, 0.0001711300000000, 0.0003570700000000 ] - [ -0.0024620600000000, -0.0048401200000000, -0.0071640100000000 ] - [ -0.0002187800000000, 0.0000043800000000, -0.0001818400000000 ] - [ -0.0022481100000000, 0.0031893700000000, 0.0003044600000000 ] - [ 0.0000318400000000, -0.0000944400000000, -0.0000312400000000 ] - [ 0.0011263100000000, 0.0026691700000000, -0.0016708300000000 ] - [ 0.0000045200000000, 0.0000409100000000, -0.0002293000000000 ] - [ 0.0000204400000000, -0.0000326600000000, 0.0000237600000000 ] - [ 0.0013125000000000, 0.0178391800000000, -0.0038833200000000 ]- atom: 90 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0017295600000000, 0.0023248400000000, -0.0019240000000000 ] - [ 0.0000055300000000, 0.0000044500000000, -0.0001033100000000 ] - [ 0.0002480800000000, -0.0026444400000000, 0.0010017900000000 ] - [ 0.0039940400000000, -0.0047838400000000, 0.0010667400000000 ] - [ 0.0002074100000000, -0.0002389600000000, 0.0002120200000000 ] - [ -0.0000146100000000, 0.0000365000000000, -0.0001000900000000 ] - [ 0.0000245900000000, -0.0000150600000000, -0.0003161900000000 ] - [ -0.0043184200000000, 0.0074009300000000, 0.0022104700000000 ] - [ -0.0004083300000000, 0.0004689700000000, -0.0003730900000000 ] - [ 0.0635350700000000, -0.0200867400000000, 0.0185162300000000 ] - [ 0.0212836700000000, -0.0427801700000000, 0.0167722700000000 ] - [ -0.0000048500000000, 0.0000171700000000, 0.0001179700000000 ] - [ 0.0007581600000000, 0.0000862700000000, -0.0026336000000000 ] - [ -0.0023918700000000, 0.0023740300000000, -0.0007151500000000 ] - [ 0.0002146500000000, -0.0003443500000000, -0.0002227200000000 ] - [ -0.0004041300000000, 0.0000695800000000, -0.0003782200000000 ] - [ 0.0002361800000000, 0.0002451400000000, 0.0001029400000000 ] - [ 0.0000784700000000, -0.0000653000000000, -0.0003689500000000 ] - [ -0.0004112200000000, -0.0004780600000000, -0.0002538300000000 ] - [ 0.0010053800000000, 0.0005893900000000, 0.0003278900000000 ] - [ 0.0002599100000000, 0.0000534100000000, 0.0000081500000000 ] - [ 0.0037505700000000, 0.0052809400000000, 0.0027963600000000 ] - [ -0.0000873100000000, 0.0002366300000000, 0.0000186300000000 ] - [ 0.0002476100000000, 0.0003495300000000, -0.0005054300000000 ] - [ 0.0025326100000000, 0.0023798600000000, 0.0039185700000000 ] - [ -0.0000811400000000, -0.0001499300000000, -0.0000624600000000 ] - [ -0.0002350000000000, 0.0004701700000000, 0.0007133200000000 ] - [ -0.0000676000000000, -0.0000115100000000, -0.0003209400000000 ] - [ -0.0014439900000000, -0.0005224600000000, 0.0003405100000000 ] - [ -0.0057692400000000, 0.0088259800000000, 0.0043142200000000 ] - [ -0.0000503400000000, 0.0000830100000000, -0.0003293300000000 ] - [ -0.0013438200000000, 0.0007153600000000, 0.0011607000000000 ] - [ 0.0062620900000000, -0.0341919800000000, -0.0073776200000000 ] - [ -0.0004898700000000, 0.0002418800000000, -0.0007009700000000 ] - [ -0.0001259900000000, 0.0000638300000000, 0.0004536800000000 ] - [ 0.0000223700000000, -0.0000031500000000, 0.0001353100000000 ] - [ -0.0002065800000000, 0.0005068400000000, -0.0000118800000000 ] - [ -0.0012408500000000, -0.0008822600000000, 0.0003083800000000 ] - [ -0.0000309200000000, -0.0000582400000000, -0.0003175200000000 ] - [ -0.0004286100000000, -0.0001779700000000, -0.0002720300000000 ] - [ 0.0000771300000000, -0.0000977300000000, -0.0004037500000000 ] - [ -0.0000344500000000, 0.0003451300000000, -0.0004255700000000 ] - [ 0.0002608300000000, -0.0000446500000000, 0.0000128400000000 ] - [ 0.0005383400000000, -0.0011160600000000, -0.0028225400000000 ] - [ 0.0006708800000000, -0.0002415400000000, 0.0000166400000000 ] - [ 0.0000410400000000, 0.0000560900000000, -0.0004459400000000 ] - [ 0.0003594800000000, 0.0007025100000000, 0.0003815600000000 ] - [ -0.0001792300000000, 0.0002098300000000, 0.0000174800000000 ] - [ 0.0075315300000000, 0.0017362800000000, -0.0009487800000000 ] - [ -0.0003092400000000, -0.0004593900000000, -0.0002235800000000 ] - [ 0.0001210100000000, 0.0000947900000000, 0.0001873700000000 ] - [ -0.0000491100000000, -0.0001277000000000, 0.0001147900000000 ] - [ 0.0000452900000000, -0.0000808500000000, -0.0003584600000000 ] - [ -0.0005402200000000, 0.0019085200000000, -0.0025003700000000 ] - [ 0.0000107300000000, -0.0001359200000000, -0.0001465400000000 ] - [ 0.0014903000000000, 0.0003520400000000, 0.0004075100000000 ] - [ -0.0064496600000000, -0.0006009200000000, 0.0035620700000000 ] - [ 0.0000971400000000, 0.0000785500000000, -0.0004220700000000 ] - [ 0.0000529700000000, 0.0000870900000000, -0.0003666800000000 ] - [ 0.0004425100000000, 0.0000079700000000, 0.0001646900000000 ] - [ -0.0050046200000000, -0.0056421600000000, -0.0014610600000000 ] - [ -0.0001656100000000, 0.0000017700000000, -0.0003892100000000 ] - [ 0.0000174900000000, -0.0000501700000000, -0.0004589800000000 ] - [ -0.0000930400000000, -0.0000021600000000, -0.0003746500000000 ] - [ -0.0000756700000000, -0.0000444200000000, 0.0002774400000000 ] - [ -0.0001799700000000, -0.0002106500000000, 0.0000171200000000 ] - [ -0.0000983400000000, -0.0002344700000000, 0.0000207700000000 ] - [ -0.0000507700000000, -0.0000548200000000, -0.0002714500000000 ] - [ -0.0038952400000000, 0.0069900900000000, -0.0023720900000000 ] - [ -0.0000086500000000, -0.0000304300000000, 0.0001504800000000 ] - [ 0.0013602400000000, 0.0009084500000000, 0.0001605100000000 ] - [ 0.0000651600000000, 0.0007795500000000, -0.0012143300000000 ] - [ 0.0019787400000000, -0.0021187000000000, -0.0019956700000000 ] - [ 0.0002423500000000, -0.0003166200000000, -0.0000190700000000 ] - [ -0.0000706100000000, 0.0001074900000000, -0.0000788900000000 ] - [ -0.0000079900000000, -0.0000040200000000, -0.0002196600000000 ] - [ 0.0009780000000000, 0.0004102700000000, -0.0002760200000000 ] - [ -0.0000368800000000, -0.0000501800000000, 0.0005512600000000 ] - [ 0.0000654000000000, -0.0001548400000000, 0.0000635500000000 ] - [ 0.0000987300000000, 0.0001870600000000, 0.0000740900000000 ] - [ -0.0002278100000000, 0.0000156600000000, 0.0000998000000000 ] - [ 0.0000465200000000, 0.0000135900000000, -0.0001258700000000 ] - [ 0.0000748200000000, -0.0002010100000000, 0.0001245300000000 ] - [ 0.0000273100000000, 0.0002341000000000, -0.0001814900000000 ] - [ 0.0018523400000000, -0.0034606400000000, 0.0002441700000000 ] - [ -0.0013254500000000, 0.0011518100000000, -0.0003023800000000 ] - [ 0.0210306500000000, -0.0099489200000000, 0.0000587300000000 ] - [ -0.0001414400000000, 0.0000350800000000, 0.0001060900000000 ] - [ 0.0001582500000000, 0.0000015900000000, -0.0000992800000000 ] - [ -0.1233774400000000, 0.1379199300000000, -0.0392516500000000 ] - [ -0.0009257600000000, -0.0005148300000000, -0.0006849200000000 ] - [ 0.0000021400000000, 0.0000550400000000, -0.0001215700000000 ] - [ -0.0001896100000000, -0.0000055900000000, 0.0003393400000000 ] - [ 0.0001418900000000, -0.0001193100000000, 0.0015223200000000 ] - [ -0.0006246200000000, -0.0005099800000000, 0.0012839900000000 ] - [ -0.0003385300000000, -0.0001764100000000, -0.0001158400000000 ] - [ 0.0002411500000000, 0.0001163300000000, 0.0002247100000000 ] - [ -0.0001722200000000, 0.0002983900000000, 0.0001125700000000 ] - [ -0.0000727600000000, 0.0000616900000000, 0.0002202800000000 ] - [ -0.0001201000000000, -0.0000909600000000, -0.0000753000000000 ] - [ 0.0001287200000000, -0.0002015000000000, 0.0000567100000000 ] - [ 0.0006323100000000, -0.0066485300000000, -0.0139943500000000 ] - [ 0.0000823000000000, 0.0000829300000000, -0.0000061900000000 ] - [ 0.0001980400000000, -0.0001008000000000, -0.0000597900000000 ] - [ -0.0000029300000000, -0.0000018000000000, -0.0002117600000000 ] - [ 0.0000441000000000, 0.0000515400000000, -0.0000064700000000 ] - [ -0.0001090400000000, -0.0000349600000000, -0.0000071900000000 ] - [ 0.0007950600000000, 0.0001920700000000, 0.0009568900000000 ] - [ 0.0020975800000000, 0.0000409100000000, 0.0010700800000000 ] - [ -0.0000481300000000, -0.0000553700000000, -0.0001514800000000 ] - [ 0.0028901700000000, 0.0017400900000000, -0.0001725600000000 ] - [ 0.0000103700000000, 0.0000006100000000, -0.0002169600000000 ] - [ 0.0000870800000000, -0.0001746200000000, 0.0006260000000000 ] - [ -0.0000822500000000, -0.0000166200000000, 0.0001872800000000 ] - [ -0.0001131200000000, 0.0000351600000000, -0.0000066500000000 ] - [ 0.0000096400000000, -0.0000107000000000, 0.0002154800000000 ] - [ -0.0002206400000000, -0.0002876300000000, -0.0001227200000000 ] - [ 0.0010185400000000, -0.0015290100000000, -0.0014960500000000 ] - [ -0.0001998300000000, 0.0003512900000000, 0.0001967300000000 ] - [ -0.0001561500000000, 0.0004007900000000, -0.0001900000000000 ] - [ 0.0165359800000000, -0.0059275600000000, -0.0013649500000000 ] - [ 0.0028541900000000, -0.0048661300000000, 0.0003518200000000 ] - [ -0.0031312600000000, 0.0034027400000000, -0.0002959000000000 ] - [ 0.0002188600000000, -0.0005500200000000, 0.0005517700000000 ] - [ -0.0000926600000000, 0.0001296000000000, 0.0000542600000000 ] - [ 0.0007256400000000, -0.0008946300000000, -0.0015511800000000 ] - [ 0.0000334900000000, -0.0001139500000000, -0.0000075800000000 ] - [ 0.0011916000000000, 0.0012169100000000, -0.0010289900000000 ] - [ 0.0003475600000000, 0.0001083700000000, -0.0001089700000000 ] - [ 0.0000105000000000, -0.0000695500000000, 0.0006087000000000 ] - [ 0.0001095300000000, 0.0001678500000000, 0.0006077200000000 ] - [ 0.0001925300000000, 0.0000446100000000, 0.0004255400000000 ] - [ 0.0016891200000000, -0.0023476200000000, 0.0024882000000000 ] - [ 0.0000053000000000, -0.0000505600000000, -0.0001216800000000 ] - [ -0.0031026900000000, -0.0188330300000000, -0.0044892000000000 ] - [ -0.0001644500000000, -0.0002578200000000, 0.0000243400000000 ] - [ 0.0053559700000000, 0.0053738400000000, 0.0113557800000000 ] - [ 0.0005587100000000, 0.0000444000000000, 0.0000399100000000 ] - [ 0.0000972700000000, 0.0000087100000000, 0.0002123100000000 ] - [ 0.0004424400000000, 0.0000955300000000, -0.0000728100000000 ] - [ 0.0000013200000000, 0.0000044700000000, 0.0002132800000000 ] - [ 0.0000844300000000, -0.0000871800000000, -0.0000073300000000 ] - [ -0.0027151200000000, 0.0046084800000000, -0.0006002100000000 ] - [ -0.0006879200000000, 0.0001063100000000, 0.0000272100000000 ] - [ 0.0003515800000000, -0.0001392600000000, 0.0000325200000000 ] - [ 0.0004938100000000, -0.0005615200000000, 0.0000312600000000 ] - [ 0.0000525600000000, -0.0000174700000000, -0.0001129800000000 ] - [ 0.0011752600000000, -0.0035267900000000, -0.0018585500000000 ] - [ -0.0004475700000000, -0.0004510300000000, -0.0003340400000000 ] - [ -0.0002512200000000, 0.0000716500000000, -0.0002054200000000 ] - [ 0.0001630700000000, 0.0001087900000000, -0.0000569600000000 ] - [ 0.0000600900000000, 0.0003901000000000, 0.0008156500000000 ] - [ -0.0002067400000000, -0.0003470400000000, 0.0002064400000000 ] - [ 0.0003979000000000, 0.0000079200000000, 0.0002013500000000 ] - [ -0.0001019800000000, 0.0000141100000000, 0.0001059900000000 ] - [ -0.0040494200000000, -0.0032002600000000, 0.0082163400000000 ] - [ -0.0002835300000000, -0.0001844900000000, 0.0003258500000000 ] - [ -0.0032113100000000, -0.0003171300000000, -0.0017536500000000 ] - [ 0.0003206200000000, 0.0000879400000000, -0.0003837100000000 ] - [ 0.0000850100000000, 0.0000098100000000, 0.0000935700000000 ] - [ -0.0000068800000000, -0.0005613000000000, -0.0001653800000000 ] - [ 0.0000306500000000, 0.0001142100000000, -0.0000059700000000 ] - [ -0.0000794300000000, -0.0001120800000000, -0.0000739100000000 ] - [ -0.0028691900000000, -0.0014493700000000, 0.0000181200000000 ] - [ 0.0003407600000000, 0.0000135200000000, 0.0000766700000000 ] - [ -0.0000488400000000, -0.0002871400000000, -0.0007789000000000 ] - [ 0.0024159700000000, 0.0048751500000000, 0.0071193600000000 ] - [ -0.0000139500000000, -0.0000544300000000, 0.0003095100000000 ] - [ 0.0022851000000000, -0.0034157100000000, 0.0001127700000000 ] - [ -0.0002428400000000, 0.0001001500000000, -0.0000360100000000 ] - [ -0.0010090400000000, -0.0024938000000000, 0.0017230100000000 ] - [ -0.0000594900000000, 0.0000617500000000, -0.0001427400000000 ] - [ -0.0002510100000000, 0.0000826600000000, 0.0001059300000000 ] - [ -0.0013996200000000, -0.0173774600000000, 0.0038629100000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011474500000000, 0.0018490300000000, 0.0027618500000000 ] - [ -0.0000208700000000, -0.0000152700000000, -0.0017789100000000 ] - [ 0.0023091900000000, 0.0000000000000000, -0.0026246600000000 ] - [ -0.0010029200000000, 0.0000000000000000, 0.0070074700000000 ] - [ -0.0011474500000000, -0.0018490300000000, 0.0027618500000000 ] - [ -0.0000208700000000, 0.0000152700000000, -0.0017789100000000 ] - [ -0.0000437200000000, 0.0000000000000000, -0.0016262500000000 ] - [ 0.0001216100000000, 0.0000264800000000, 0.0037653400000000 ] - [ -0.0004937600000000, 0.0007074600000000, -0.0014901000000000 ] - [ 0.0361795000000000, 0.0000000000000000, 0.0343006100000000 ] - [ 0.0093156300000000, -0.0147188200000000, 0.0352672600000000 ] - [ -0.0000362900000000, 0.0000706300000000, -0.0012966400000000 ] - [ -0.0000008400000000, 0.0000000000000000, -0.0065116900000000 ] - [ -0.0007801700000000, 0.0007111100000000, 0.0008944600000000 ] - [ -0.0000500000000000, -0.0008483600000000, -0.0012821100000000 ] - [ -0.0005523700000000, 0.0004655500000000, -0.0013137200000000 ] - [ -0.0005623000000000, -0.0005207100000000, -0.0017878300000000 ] - [ 0.0000243600000000, -0.0002181300000000, -0.0018413200000000 ] - [ -0.0004937600000000, -0.0007074600000000, -0.0014901000000000 ] - [ 0.0008769800000000, 0.0002165400000000, 0.0005990400000000 ] - [ 0.0002500600000000, 0.0001321500000000, -0.0014952600000000 ] - [ -0.0001483300000000, -0.0008917500000000, 0.0035834500000000 ] - [ 0.0000002900000000, 0.0003074500000000, -0.0015180700000000 ] - [ 0.0000879200000000, 0.0004123000000000, -0.0014773300000000 ] - [ -0.0017139000000000, -0.0037229900000000, -0.0016088100000000 ] - [ -0.0000948500000000, 0.0000226100000000, -0.0007298200000000 ] - [ 0.0006557100000000, -0.0011203300000000, 0.0006586800000000 ] - [ 0.0000150000000000, 0.0000000000000000, -0.0019921800000000 ] - [ -0.0010969400000000, 0.0000000000000000, 0.0007556000000000 ] - [ 0.0023459200000000, -0.0021651900000000, 0.0070070300000000 ] - [ 0.0000949800000000, -0.0001557400000000, -0.0017806100000000 ] - [ 0.0008769800000000, -0.0002165400000000, 0.0005990400000000 ] - [ 0.0093156300000000, 0.0147188200000000, 0.0352672600000000 ] - [ -0.0005623000000000, 0.0005207100000000, -0.0017878300000000 ] - [ 0.0010852900000000, 0.0000000000000000, -0.0018958100000000 ] - [ 0.0000866300000000, 0.0000000000000000, -0.0012775600000000 ] - [ -0.0000948500000000, -0.0000226100000000, -0.0007298200000000 ] - [ -0.0008834300000000, 0.0000128100000000, 0.0040270200000000 ] - [ 0.0000949800000000, 0.0001557400000000, -0.0017806100000000 ] - [ -0.0005523700000000, -0.0004655500000000, -0.0013137200000000 ] - [ 0.0000854000000000, 0.0000298400000000, -0.0018053700000000 ] - [ -0.0000500000000000, 0.0008483600000000, -0.0012821100000000 ] - [ 0.0002500600000000, -0.0001321500000000, -0.0014952600000000 ] - [ -0.0005213600000000, 0.0000000000000000, -0.0067554800000000 ] - [ -0.0000136600000000, 0.0009937200000000, -0.0021219900000000 ] - [ 0.0000013500000000, 0.0000000700000000, -0.0017237000000000 ] - [ 0.0000879200000000, -0.0004123000000000, -0.0014773300000000 ] - [ -0.0002339500000000, 0.0001325600000000, -0.0015136800000000 ] - [ 0.0023459200000000, 0.0021651900000000, 0.0070070300000000 ] - [ 0.0006557100000000, 0.0011203300000000, 0.0006586800000000 ] - [ 0.0001034400000000, 0.0000457900000000, -0.0012107200000000 ] - [ -0.0001124100000000, 0.0000000000000000, -0.0014329000000000 ] - [ 0.0000774700000000, -0.0001302100000000, -0.0018424300000000 ] - [ -0.0017139000000000, 0.0037229900000000, -0.0016088100000000 ] - [ 0.0000854000000000, -0.0000298400000000, -0.0018053700000000 ] - [ -0.0007801700000000, -0.0007111100000000, 0.0008944600000000 ] - [ -0.0008834300000000, -0.0000128100000000, 0.0040270200000000 ] - [ 0.0000243600000000, 0.0002181300000000, -0.0018413200000000 ] - [ 0.0000774700000000, 0.0001302100000000, -0.0018424300000000 ] - [ -0.0000136600000000, -0.0009937200000000, -0.0021219900000000 ] - [ -0.0051141000000000, 0.0000000000000000, 0.0074103900000000 ] - [ -0.0000910100000000, 0.0000000000000000, -0.0018644100000000 ] - [ 0.0000013500000000, -0.0000000700000000, -0.0017237000000000 ] - [ -0.0001497800000000, 0.0000000000000000, -0.0018797100000000 ] - [ 0.0001034400000000, -0.0000457900000000, -0.0012107200000000 ] - [ -0.0002339500000000, -0.0001325600000000, -0.0015136800000000 ] - [ 0.0000002900000000, -0.0003074500000000, -0.0015180700000000 ] - [ 0.0000343300000000, 0.0000000000000000, -0.0016642500000000 ] - [ -0.0001483300000000, 0.0008917500000000, 0.0035834500000000 ] - [ -0.0000362900000000, -0.0000706300000000, -0.0012966400000000 ] - [ 0.0001216100000000, -0.0000264800000000, 0.0037653400000000 ] - [ -0.0007131300000000, -0.0015051000000000, 0.0017409300000000 ] - [ -0.0006367300000000, -0.0001240800000000, -0.0027358600000000 ] - [ -0.0000386300000000, -0.0001534300000000, 0.0011023100000000 ] - [ -0.0000341200000000, 0.0001043700000000, 0.0009040900000000 ] - [ 0.0001204400000000, 0.0001953800000000, 0.0007439700000000 ] - [ 0.0018056900000000, 0.0006848200000000, -0.0016481200000000 ] - [ -0.0001733900000000, 0.0000001000000000, 0.0013166400000000 ] - [ 0.0001356300000000, -0.0002507000000000, 0.0007814400000000 ] - [ 0.0000991900000000, 0.0001921400000000, 0.0013881500000000 ] - [ -0.0002090300000000, 0.0000000000000000, 0.0014509700000000 ] - [ 0.0000594500000000, 0.0001983200000000, 0.0007730600000000 ] - [ 0.0002022300000000, -0.0001368800000000, 0.0009649400000000 ] - [ 0.0001228900000000, 0.0000284100000000, -0.0002399500000000 ] - [ 0.0000799300000000, 0.0001902900000000, -0.0020652400000000 ] - [ 0.0003099300000000, 0.0013602900000000, 0.0022770800000000 ] - [ 0.0004814100000000, -0.0013174600000000, -0.0068700600000000 ] - [ -0.0001733900000000, -0.0000001000000000, 0.0013166400000000 ] - [ 0.0000611900000000, 0.0000000000000000, 0.0009487400000000 ] - [ -0.0805234600000000, 0.0000000000000000, -0.1392328400000000 ] - [ -0.0006367300000000, 0.0001240800000000, -0.0027358600000000 ] - [ 0.0001092600000000, 0.0001444500000000, 0.0007858800000000 ] - [ -0.0002764400000000, 0.0000000000000000, 0.0020043100000000 ] - [ 0.0003099300000000, -0.0013602900000000, 0.0022770800000000 ] - [ -0.0006792000000000, -0.0012067700000000, 0.0016126100000000 ] - [ 0.0002733800000000, 0.0001278500000000, 0.0003945100000000 ] - [ -0.0001560600000000, -0.0001025000000000, 0.0002879700000000 ] - [ -0.0001695300000000, 0.0002642800000000, 0.0013705200000000 ] - [ 0.0000840800000000, -0.0001694900000000, 0.0012715600000000 ] - [ -0.0001401600000000, 0.0002354600000000, 0.0009806200000000 ] - [ 0.0000991900000000, -0.0001921400000000, 0.0013881500000000 ] - [ -0.0040875200000000, 0.0126725400000000, 0.0092968500000000 ] - [ 0.0001633500000000, -0.0000519900000000, 0.0010243800000000 ] - [ -0.0000999600000000, -0.0002344800000000, 0.0009804500000000 ] - [ 0.0001204400000000, -0.0001953800000000, 0.0007439700000000 ] - [ 0.0001356300000000, 0.0002507000000000, 0.0007814400000000 ] - [ -0.0000370800000000, -0.0001676500000000, 0.0010400000000000 ] - [ 0.0017191500000000, 0.0000000000000000, 0.0018434200000000 ] - [ 0.0018056900000000, -0.0006848200000000, -0.0016481200000000 ] - [ -0.0001668600000000, 0.0000936900000000, 0.0008356000000000 ] - [ 0.0006739600000000, 0.0000000000000000, -0.0023177400000000 ] - [ -0.0002372900000000, 0.0000000000000000, 0.0007423000000000 ] - [ 0.0001722800000000, -0.0002948300000000, 0.0014645300000000 ] - [ -0.0000386300000000, 0.0001534300000000, 0.0011023100000000 ] - [ -0.0000370800000000, 0.0001676500000000, 0.0010400000000000 ] - [ -0.0000091800000000, 0.0000158900000000, 0.0013594000000000 ] - [ -0.0002756100000000, -0.0003861500000000, 0.0006300400000000 ] - [ -0.0005061200000000, 0.0007552800000000, -0.0023139000000000 ] - [ -0.0002136800000000, 0.0003563400000000, 0.0009408500000000 ] - [ -0.0002756100000000, 0.0003861500000000, 0.0006300400000000 ] - [ 0.0013388800000000, -0.0011261400000000, -0.0062639700000000 ] - [ 0.0002178700000000, -0.0001583900000000, -0.0021461900000000 ] - [ 0.0013388800000000, 0.0011261400000000, -0.0062639700000000 ] - [ -0.0000548500000000, -0.0003373800000000, 0.0004706600000000 ] - [ -0.0005061200000000, -0.0007552800000000, -0.0023139000000000 ] - [ -0.0006792000000000, 0.0012067700000000, 0.0016126100000000 ] - [ -0.0001257600000000, -0.0001172100000000, 0.0010270600000000 ] - [ -0.0005731300000000, 0.0000000000000000, -0.0019778900000000 ] - [ 0.0003767000000000, 0.0000000000000000, 0.0007242000000000 ] - [ 0.0006244200000000, -0.0013178700000000, 0.0017067700000000 ] - [ 0.0001722800000000, 0.0002948300000000, 0.0014645300000000 ] - [ 0.0004689400000000, 0.0000000000000000, 0.0012782900000000 ] - [ 0.0009417200000000, -0.0020604600000000, -0.0013746600000000 ] - [ 0.0001092600000000, -0.0001444500000000, 0.0007858800000000 ] - [ -0.0002608800000000, -0.0012118800000000, -0.0055698900000000 ] - [ -0.0001695300000000, -0.0002642800000000, 0.0013705200000000 ] - [ 0.0201432400000000, 0.0000000000000000, 0.0196552300000000 ] - [ 0.0000676000000000, 0.0000000000000000, 0.0007346200000000 ] - [ -0.0000397200000000, 0.0000000000000000, 0.0011924900000000 ] - [ -0.0001560600000000, 0.0001025000000000, 0.0002879700000000 ] - [ -0.0000091800000000, -0.0000158900000000, 0.0013594000000000 ] - [ 0.0001633500000000, 0.0000519900000000, 0.0010243800000000 ] - [ 0.0004814100000000, 0.0013174600000000, -0.0068700600000000 ] - [ -0.0000778000000000, 0.0000000000000000, 0.0025080400000000 ] - [ -0.0000343000000000, -0.0003628900000000, -0.0002257300000000 ] - [ 0.0002733800000000, -0.0001278500000000, 0.0003945100000000 ] - [ 0.0000594500000000, -0.0001983200000000, 0.0007730600000000 ] - [ 0.0002480300000000, 0.0016025900000000, -0.0017135100000000 ] - [ -0.0000548500000000, 0.0003373800000000, 0.0004706600000000 ] - [ -0.0000462800000000, 0.0008060600000000, 0.0006970300000000 ] - [ -0.0000999600000000, 0.0002344800000000, 0.0009804500000000 ] - [ 0.0006244200000000, 0.0013178700000000, 0.0017067700000000 ] - [ -0.0002136800000000, -0.0003563400000000, 0.0009408500000000 ] - [ 0.0004123300000000, 0.0000000000000000, 0.0009520300000000 ] - [ 0.0000840800000000, 0.0001694900000000, 0.0012715600000000 ] - [ -0.0040875200000000, -0.0126725400000000, 0.0092968500000000 ] - [ -0.0000462800000000, -0.0008060600000000, 0.0006970300000000 ] - [ 0.0009417200000000, 0.0020604600000000, -0.0013746600000000 ] - [ -0.0000343000000000, 0.0003628900000000, -0.0002257300000000 ] - [ 0.0002022300000000, 0.0001368800000000, 0.0009649400000000 ] - [ 0.0001228900000000, -0.0000284100000000, -0.0002399500000000 ] - [ -0.0001257600000000, 0.0001172100000000, 0.0010270600000000 ] - [ -0.0000341200000000, -0.0001043700000000, 0.0009040900000000 ] - [ 0.0002178700000000, 0.0001583900000000, -0.0021461900000000 ] - [ 0.0003174800000000, 0.0000000000000000, 0.0013434600000000 ] - [ -0.0007131300000000, 0.0015051000000000, 0.0017409300000000 ] - [ 0.0136992200000000, 0.0000000000000000, 0.0138251400000000 ] - [ -0.0000307100000000, 0.0000227400000000, 0.0012395100000000 ] - [ 0.0000799300000000, -0.0001902900000000, -0.0020652400000000 ] - [ -0.0001401600000000, -0.0002354600000000, 0.0009806200000000 ] - [ 0.0002480300000000, -0.0016025900000000, -0.0017135100000000 ] - [ -0.0001668600000000, -0.0000936900000000, 0.0008356000000000 ] - [ -0.0000307100000000, -0.0000227400000000, 0.0012395100000000 ] - [ -0.0002608800000000, 0.0012118800000000, -0.0055698900000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012022100000000, -0.0019422000000000, -0.0027223400000000 ] - [ 0.0000209700000000, 0.0000153100000000, 0.0017728300000000 ] - [ -0.0023160200000000, 0.0000000000000000, 0.0030229900000000 ] - [ 0.0005709100000000, 0.0000000000000000, -0.0065814300000000 ] - [ 0.0012022100000000, 0.0019422000000000, -0.0027223400000000 ] - [ 0.0000209700000000, -0.0000153100000000, 0.0017728300000000 ] - [ 0.0000432800000000, 0.0000000000000000, 0.0012177200000000 ] - [ -0.0001260900000000, -0.0000167700000000, -0.0033904500000000 ] - [ 0.0001759700000000, -0.0002940700000000, 0.0012878200000000 ] - [ -0.0356599900000000, 0.0000000000000000, -0.0353316500000000 ] - [ -0.0098522800000000, 0.0161113700000000, -0.0357042300000000 ] - [ 0.0000175400000000, -0.0000316800000000, 0.0017180300000000 ] - [ -0.0000041900000000, 0.0000000000000000, 0.0073366100000000 ] - [ 0.0007842900000000, -0.0007184400000000, -0.0002803200000000 ] - [ -0.0001950400000000, 0.0008200700000000, 0.0011998800000000 ] - [ 0.0006502900000000, -0.0002339700000000, 0.0012297900000000 ] - [ 0.0003612000000000, 0.0010091100000000, 0.0015856300000000 ] - [ 0.0000425500000000, 0.0001008100000000, 0.0012097600000000 ] - [ 0.0001759700000000, 0.0002940700000000, 0.0012878200000000 ] - [ -0.0008019800000000, -0.0000787600000000, 0.0000435200000000 ] - [ 0.0002704200000000, -0.0000630100000000, 0.0016881900000000 ] - [ -0.0001440800000000, 0.0003945500000000, -0.0037096400000000 ] - [ -0.0002018700000000, 0.0001781200000000, 0.0017099500000000 ] - [ 0.0004330400000000, -0.0004812800000000, 0.0012725800000000 ] - [ 0.0017823800000000, 0.0038436700000000, 0.0022228900000000 ] - [ -0.0001835600000000, -0.0005022500000000, 0.0008289400000000 ] - [ -0.0006509400000000, 0.0011087200000000, -0.0009839200000000 ] - [ -0.0001740600000000, 0.0000000000000000, 0.0013310000000000 ] - [ 0.0009728200000000, 0.0000000000000000, -0.0001403000000000 ] - [ -0.0025762300000000, 0.0021644400000000, -0.0069691800000000 ] - [ -0.0000920400000000, 0.0001543000000000, 0.0011497400000000 ] - [ -0.0008019800000000, 0.0000787600000000, 0.0000435200000000 ] - [ -0.0098522800000000, -0.0161113700000000, -0.0357042300000000 ] - [ 0.0003612000000000, -0.0010091100000000, 0.0015856300000000 ] - [ -0.0005188200000000, 0.0000000000000000, 0.0019802200000000 ] - [ -0.0000419500000000, 0.0000000000000000, 0.0017005400000000 ] - [ -0.0001835600000000, 0.0005022500000000, 0.0008289400000000 ] - [ 0.0010061800000000, -0.0002421800000000, -0.0039732100000000 ] - [ -0.0000920400000000, -0.0001543000000000, 0.0011497400000000 ] - [ 0.0006502900000000, 0.0002339700000000, 0.0012297900000000 ] - [ -0.0001038900000000, 0.0000083100000000, 0.0013738200000000 ] - [ -0.0001950400000000, -0.0008200700000000, 0.0011998800000000 ] - [ 0.0002704200000000, 0.0000630100000000, 0.0016881900000000 ] - [ 0.0003554600000000, 0.0000000000000000, 0.0074259500000000 ] - [ 0.0001527400000000, -0.0011813000000000, 0.0020292400000000 ] - [ 0.0000751000000000, 0.0001377900000000, 0.0010664700000000 ] - [ 0.0004330400000000, 0.0004812800000000, 0.0012725800000000 ] - [ -0.0000867300000000, 0.0002834600000000, 0.0017057600000000 ] - [ -0.0025762300000000, -0.0021644400000000, -0.0069691800000000 ] - [ -0.0006509400000000, -0.0011087200000000, -0.0009839200000000 ] - [ -0.0000082800000000, 0.0001188900000000, 0.0017714300000000 ] - [ -0.0000788400000000, 0.0000000000000000, 0.0019946500000000 ] - [ 0.0000182100000000, -0.0000348900000000, 0.0012708400000000 ] - [ 0.0017823800000000, -0.0038436700000000, 0.0022228900000000 ] - [ -0.0001038900000000, -0.0000083100000000, 0.0013738200000000 ] - [ 0.0007842900000000, 0.0007184400000000, -0.0002803200000000 ] - [ 0.0010061800000000, 0.0002421800000000, -0.0039732100000000 ] - [ 0.0000425500000000, -0.0001008100000000, 0.0012097600000000 ] - [ 0.0000182100000000, 0.0000348900000000, 0.0012708400000000 ] - [ 0.0001527400000000, 0.0011813000000000, 0.0020292400000000 ] - [ 0.0056832300000000, 0.0000000000000000, -0.0075541600000000 ] - [ -0.0000432100000000, 0.0000000000000000, 0.0012321700000000 ] - [ 0.0000751000000000, -0.0001377900000000, 0.0010664700000000 ] - [ -0.0000413200000000, 0.0000000000000000, 0.0013082600000000 ] - [ -0.0000082800000000, -0.0001188900000000, 0.0017714300000000 ] - [ -0.0000867300000000, -0.0002834600000000, 0.0017057600000000 ] - [ -0.0002018700000000, -0.0001781200000000, 0.0017099500000000 ] - [ 0.0000105600000000, 0.0000000000000000, 0.0012310300000000 ] - [ -0.0001440800000000, -0.0003945500000000, -0.0037096400000000 ] - [ 0.0000175400000000, 0.0000316800000000, 0.0017180300000000 ] - [ -0.0001260900000000, 0.0000167700000000, -0.0033904500000000 ] - [ 0.0004939800000000, 0.0015974500000000, -0.0021357400000000 ] - [ 0.0006991700000000, 0.0000179600000000, 0.0018787000000000 ] - [ 0.0001965300000000, -0.0000230700000000, -0.0009680700000000 ] - [ -0.0001134500000000, 0.0001520600000000, -0.0011656600000000 ] - [ -0.0001375800000000, -0.0002250100000000, -0.0012791100000000 ] - [ -0.0017160500000000, -0.0008783300000000, 0.0017270200000000 ] - [ 0.0001570100000000, 0.0000311100000000, -0.0007748100000000 ] - [ -0.0000249300000000, 0.0000700600000000, -0.0008469400000000 ] - [ 0.0001200600000000, 0.0001901800000000, -0.0013828900000000 ] - [ -0.0002379800000000, 0.0000000000000000, -0.0014454800000000 ] - [ 0.0000569400000000, -0.0002009800000000, -0.0011407300000000 ] - [ -0.0001276300000000, -0.0000891900000000, -0.0008313600000000 ] - [ 0.0000796900000000, 0.0001032600000000, -0.0001802600000000 ] - [ -0.0000678000000000, 0.0000523800000000, 0.0024768300000000 ] - [ -0.0003584700000000, -0.0012643200000000, -0.0019081300000000 ] - [ -0.0006161400000000, 0.0011693900000000, 0.0072760600000000 ] - [ 0.0001570100000000, -0.0000311100000000, -0.0007748100000000 ] - [ 0.0002341600000000, 0.0000000000000000, -0.0012099800000000 ] - [ 0.0823297500000000, 0.0000000000000000, 0.1408142500000000 ] - [ 0.0006991700000000, -0.0000179600000000, 0.0018787000000000 ] - [ -0.0001712800000000, -0.0000482700000000, -0.0011520100000000 ] - [ 0.0001481600000000, 0.0000000000000000, -0.0011245600000000 ] - [ -0.0003584700000000, 0.0012643200000000, -0.0019081300000000 ] - [ 0.0007982100000000, 0.0012059600000000, -0.0012398700000000 ] - [ -0.0002736100000000, -0.0001301300000000, -0.0007078600000000 ] - [ 0.0000919200000000, 0.0001985100000000, 0.0000891000000000 ] - [ -0.0001513000000000, 0.0002947400000000, -0.0013665000000000 ] - [ -0.0000532300000000, 0.0002182800000000, -0.0011820400000000 ] - [ -0.0000721900000000, -0.0002378800000000, -0.0010431800000000 ] - [ 0.0001200600000000, -0.0001901800000000, -0.0013828900000000 ] - [ 0.0041905900000000, -0.0127680300000000, -0.0094803500000000 ] - [ -0.0000038200000000, 0.0002286400000000, -0.0011506400000000 ] - [ 0.0001993400000000, 0.0000471300000000, -0.0010434100000000 ] - [ -0.0001375800000000, 0.0002250100000000, -0.0012791100000000 ] - [ -0.0000249300000000, -0.0000700600000000, -0.0008469400000000 ] - [ -0.0001936200000000, 0.0001190100000000, -0.0011654200000000 ] - [ -0.0014334800000000, 0.0000000000000000, -0.0015848800000000 ] - [ -0.0017160500000000, 0.0008783300000000, 0.0017270200000000 ] - [ 0.0001144400000000, -0.0001950700000000, -0.0012021900000000 ] - [ -0.0004191800000000, 0.0000000000000000, 0.0023325100000000 ] - [ 0.0002699200000000, 0.0000000000000000, -0.0012781900000000 ] - [ -0.0001106700000000, 0.0001854600000000, -0.0005913800000000 ] - [ 0.0001965300000000, 0.0000230700000000, -0.0009680700000000 ] - [ -0.0001936200000000, -0.0001190100000000, -0.0011654200000000 ] - [ 0.0000096100000000, -0.0000148800000000, -0.0010362300000000 ] - [ -0.0001314200000000, -0.0003108300000000, -0.0009452600000000 ] - [ 0.0005003500000000, -0.0007452400000000, 0.0022879400000000 ] - [ -0.0001930900000000, 0.0003404200000000, -0.0006198600000000 ] - [ -0.0001314200000000, 0.0003108300000000, -0.0009452600000000 ] - [ -0.0017531500000000, 0.0017643600000000, 0.0066096700000000 ] - [ -0.0000157600000000, 0.0000288900000000, 0.0025554700000000 ] - [ -0.0017531500000000, -0.0017643600000000, 0.0066096700000000 ] - [ -0.0000931300000000, 0.0005956400000000, -0.0001989200000000 ] - [ 0.0005003500000000, 0.0007452400000000, 0.0022879400000000 ] - [ 0.0007982100000000, -0.0012059600000000, -0.0012398700000000 ] - [ 0.0001991300000000, -0.0001091700000000, -0.0011521900000000 ] - [ 0.0005109200000000, 0.0000000000000000, 0.0019071300000000 ] - [ 0.0004294600000000, 0.0000000000000000, -0.0010389500000000 ] - [ -0.0009658700000000, 0.0019111000000000, -0.0020670800000000 ] - [ -0.0001106700000000, -0.0001854600000000, -0.0005913800000000 ] - [ -0.0004332000000000, 0.0000000000000000, -0.0007364800000000 ] - [ -0.0011518600000000, 0.0020613700000000, 0.0014551900000000 ] - [ -0.0001712800000000, 0.0000482700000000, -0.0011520100000000 ] - [ 0.0001388000000000, 0.0010744200000000, 0.0055999300000000 ] - [ -0.0001513000000000, -0.0002947400000000, -0.0013665000000000 ] - [ -0.0206223700000000, 0.0000000000000000, -0.0208246500000000 ] - [ 0.0001866400000000, 0.0000000000000000, -0.0007437000000000 ] - [ -0.0000182400000000, 0.0000000000000000, -0.0011039200000000 ] - [ 0.0000919200000000, -0.0001985100000000, 0.0000891000000000 ] - [ 0.0000096100000000, 0.0000148800000000, -0.0010362300000000 ] - [ -0.0000038200000000, -0.0002286400000000, -0.0011506400000000 ] - [ -0.0006161400000000, -0.0011693900000000, 0.0072760600000000 ] - [ 0.0007793300000000, 0.0000000000000000, -0.0028595300000000 ] - [ 0.0000491800000000, 0.0001194300000000, -0.0001960000000000 ] - [ -0.0002736100000000, 0.0001301300000000, -0.0007078600000000 ] - [ 0.0000569400000000, 0.0002009800000000, -0.0011407300000000 ] - [ -0.0001423700000000, -0.0017858400000000, 0.0017963500000000 ] - [ -0.0000931300000000, -0.0005956400000000, -0.0001989200000000 ] - [ -0.0000826700000000, -0.0005760400000000, -0.0007081100000000 ] - [ 0.0001993400000000, -0.0000471300000000, -0.0010434100000000 ] - [ -0.0009658700000000, -0.0019111000000000, -0.0020670800000000 ] - [ -0.0001930900000000, -0.0003404200000000, -0.0006198600000000 ] - [ 0.0003942100000000, 0.0000000000000000, -0.0006324900000000 ] - [ -0.0000532300000000, -0.0002182800000000, -0.0011820400000000 ] - [ 0.0041905900000000, 0.0127680300000000, -0.0094803500000000 ] - [ -0.0000826700000000, 0.0005760400000000, -0.0007081100000000 ] - [ -0.0011518600000000, -0.0020613700000000, 0.0014551900000000 ] - [ 0.0000491800000000, -0.0001194300000000, -0.0001960000000000 ] - [ -0.0001276300000000, 0.0000891900000000, -0.0008313600000000 ] - [ 0.0000796900000000, -0.0001032600000000, -0.0001802600000000 ] - [ 0.0001991300000000, 0.0001091700000000, -0.0011521900000000 ] - [ -0.0001134500000000, -0.0001520600000000, -0.0011656600000000 ] - [ -0.0000157600000000, -0.0000288900000000, 0.0025554700000000 ] - [ 0.0003333300000000, 0.0000000000000000, -0.0013399200000000 ] - [ 0.0004939800000000, -0.0015974500000000, -0.0021357400000000 ] - [ -0.0134932900000000, 0.0000000000000000, -0.0136781400000000 ] - [ -0.0002019400000000, -0.0000707300000000, -0.0011071800000000 ] - [ -0.0000678000000000, -0.0000523800000000, 0.0024768300000000 ] - [ -0.0000721900000000, 0.0002378800000000, -0.0010431800000000 ] - [ -0.0001423700000000, 0.0017858400000000, 0.0017963500000000 ] - [ 0.0001144400000000, 0.0001950700000000, -0.0012021900000000 ] - [ -0.0002019400000000, 0.0000707300000000, -0.0011071800000000 ] - [ 0.0001388000000000, -0.0010744200000000, 0.0055999300000000 ]- atom: 96 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001248400000000, -0.0000442700000000, 0.0001762200000000 ] - [ 0.0020718900000000, -0.0000257700000000, -0.0000028800000000 ] - [ -0.0041365000000000, -0.0000941200000000, 0.0001995800000000 ] - [ -0.0000114600000000, -0.0001209400000000, -0.0001011500000000 ] - [ 0.0000863100000000, 0.0001666600000000, -0.0000750300000000 ] - [ -0.0005256100000000, -0.0003301600000000, 0.0000014300000000 ] - [ -0.0000168600000000, 0.0000127100000000, -0.0002014300000000 ] - [ -0.0003523000000000, 0.0000971000000000, 0.0001679800000000 ] - [ -0.0000076100000000, 0.0018446500000000, -0.0002303700000000 ] - [ -0.0003717600000000, -0.0001431200000000, -0.0004228200000000 ] - [ -0.0002134900000000, -0.0012694300000000, -0.0000154200000000 ] - [ -0.0000249500000000, -0.0000584700000000, 0.0002835000000000 ] - [ -0.0000165500000000, 0.0000033500000000, 0.0004217600000000 ] - [ -0.0019241000000000, 0.0007923500000000, 0.0003067100000000 ] - [ -0.0001100500000000, -0.0000145700000000, -0.0000396900000000 ] - [ 0.0000510100000000, 0.0001193900000000, -0.0000301400000000 ] - [ 0.0204205700000000, 0.0011683600000000, -0.0008368000000000 ] - [ 0.0000420500000000, -0.0000775100000000, -0.0003172000000000 ] - [ 0.0212990900000000, 0.0007135500000000, -0.0000426300000000 ] - [ 0.0024070500000000, 0.0072083800000000, -0.0016124100000000 ] - [ 0.0001007600000000, 0.0000133200000000, 0.0000960800000000 ] - [ -0.0007373700000000, 0.0025203900000000, -0.0023562600000000 ] - [ -0.0000892100000000, 0.0002385400000000, 0.0001564700000000 ] - [ 0.0205983400000000, -0.0012210400000000, -0.0004929500000000 ] - [ -0.0077750300000000, 0.0010088900000000, -0.0041222400000000 ] - [ -0.0001357900000000, -0.0002322100000000, 0.0000387400000000 ] - [ -0.0000174900000000, -0.0000062400000000, -0.0001688900000000 ] - [ -0.0000745300000000, -0.0000086600000000, -0.0003090600000000 ] - [ 0.0024333600000000, 0.0061997800000000, 0.0029836500000000 ] - [ -0.0026311400000000, 0.0001203500000000, -0.0000036800000000 ] - [ -0.0000066200000000, 0.0000008200000000, -0.0003129700000000 ] - [ -0.0097520800000000, -0.0019020600000000, 0.0042139000000000 ] - [ -0.0005337300000000, -0.0026765200000000, -0.0024192500000000 ] - [ -0.0025336100000000, -0.0047597900000000, -0.0026801800000000 ] - [ 0.0002937600000000, 0.0000000800000000, 0.0000487500000000 ] - [ -0.0000385400000000, 0.0001895600000000, -0.0000459900000000 ] - [ -0.0001383500000000, 0.0002365900000000, 0.0000608800000000 ] - [ -0.0000715800000000, 0.0011857100000000, 0.0001314400000000 ] - [ 0.0000148700000000, 0.0000028000000000, -0.0003129300000000 ] - [ 0.0000474600000000, -0.0001014200000000, -0.0000401300000000 ] - [ 0.0005847800000000, -0.0008656800000000, -0.0005763500000000 ] - [ -0.0001473700000000, 0.0000103400000000, -0.0000397000000000 ] - [ 0.0003700900000000, -0.0000877800000000, 0.0000735000000000 ] - [ 0.0039691600000000, -0.0078891200000000, -0.0016342300000000 ] - [ 0.0000712200000000, -0.0001048900000000, -0.0000515000000000 ] - [ 0.0000470800000000, 0.0000765600000000, -0.0003101300000000 ] - [ -0.0062130300000000, 0.0008316500000000, 0.0026365000000000 ] - [ -0.0001338800000000, 0.0002634300000000, 0.0001381300000000 ] - [ 0.0018048000000000, -0.0010652800000000, 0.0008357200000000 ] - [ 0.0000251200000000, -0.0000019000000000, -0.0001685600000000 ] - [ -0.0013441000000000, 0.0027895800000000, 0.0016136900000000 ] - [ -0.0006100900000000, -0.0027160100000000, 0.0012925800000000 ] - [ -0.0000172700000000, 0.0001317500000000, -0.0012223500000000 ] - [ 0.0019143100000000, -0.0054279800000000, 0.0020450600000000 ] - [ -0.0024745300000000, -0.0009093200000000, 0.0011104800000000 ] - [ 0.0208942100000000, 0.0003204700000000, 0.0000394600000000 ] - [ -0.0006309900000000, 0.0004898100000000, 0.0017051000000000 ] - [ 0.0000110000000000, 0.0000579300000000, -0.0003069800000000 ] - [ 0.0001538500000000, 0.0002279200000000, 0.0002302100000000 ] - [ 0.0000699000000000, 0.0000825000000000, -0.0000416000000000 ] - [ 0.0021119400000000, 0.0007725400000000, 0.0005773700000000 ] - [ -0.0000580000000000, 0.0000171200000000, -0.0003154500000000 ] - [ 0.0000312700000000, -0.0000665600000000, -0.0003608800000000 ] - [ -0.0001335200000000, 0.0000315500000000, 0.0001417200000000 ] - [ -0.0056305400000000, -0.0008526400000000, -0.0020589500000000 ] - [ -0.0000569500000000, -0.0001516100000000, 0.0000670200000000 ] - [ -0.0001012300000000, -0.0003864800000000, 0.0000630000000000 ] - [ -0.0009165700000000, 0.0017638900000000, -0.0011685000000000 ] - [ -0.0012654800000000, -0.0000949300000000, 0.0016317700000000 ] - [ -0.0002789900000000, -0.0000024400000000, 0.0004037500000000 ] - [ 0.0010252600000000, 0.0000409200000000, 0.0001702400000000 ] - [ -0.0001191900000000, 0.0000524300000000, -0.0001992200000000 ] - [ 0.0016765000000000, 0.0001412300000000, -0.0024602700000000 ] - [ 0.0025817200000000, 0.0004330800000000, 0.0005284200000000 ] - [ -0.0000864000000000, 0.0001466400000000, -0.0000994700000000 ] - [ 0.0000443500000000, -0.0000295400000000, -0.0003445700000000 ] - [ -0.0026408900000000, -0.0028783500000000, -0.0038683300000000 ] - [ -0.0011507900000000, 0.0023546400000000, 0.0017098900000000 ] - [ 0.0000645800000000, -0.0000914700000000, -0.0000310600000000 ] - [ 0.0004809300000000, -0.0001990700000000, -0.0011954900000000 ] - [ -0.0002565400000000, 0.0005413700000000, -0.0010223200000000 ] - [ 0.0000411300000000, -0.0000030600000000, -0.0001899500000000 ] - [ 0.0100567200000000, 0.0001834900000000, 0.0200366100000000 ] - [ 0.0000888100000000, 0.0000702200000000, -0.0002044500000000 ] - [ 0.0001250900000000, -0.0003363100000000, 0.0004328300000000 ] - [ 0.0176206100000000, 0.0139466700000000, 0.0035920200000000 ] - [ -0.0001536400000000, 0.0003000400000000, 0.0002721100000000 ] - [ 0.0030407600000000, 0.0001290500000000, -0.0021883900000000 ] - [ 0.0001269600000000, -0.0000048300000000, -0.0001385600000000 ] - [ 0.0005020600000000, 0.0004852200000000, 0.0004579400000000 ] - [ -0.0006407600000000, -0.0012895500000000, 0.0003681900000000 ] - [ -0.0000309400000000, 0.0000320900000000, -0.0001948600000000 ] - [ -0.0000657900000000, 0.0000013300000000, 0.0004344300000000 ] - [ 0.0000476700000000, 0.0037175600000000, 0.0000234500000000 ] - [ -0.0055335900000000, -0.0007519600000000, 0.0002127400000000 ] - [ -0.1327616900000000, -0.0002175500000000, 0.0012511400000000 ] - [ 0.0001351900000000, -0.0028212900000000, 0.0002738200000000 ] - [ -0.0003188600000000, 0.0005356600000000, 0.0001013400000000 ] - [ 0.0000251300000000, 0.0000267800000000, 0.0000479600000000 ] - [ -0.0001039900000000, 0.0000049700000000, -0.0000350000000000 ] - [ 0.0010886500000000, 0.0002352000000000, 0.0022205900000000 ] - [ 0.0022224600000000, 0.0002377700000000, 0.0012854100000000 ] - [ -0.0000027900000000, 0.0001615900000000, -0.0001669300000000 ] - [ 0.0000429300000000, -0.0000959200000000, -0.0000345100000000 ] - [ -0.0000468300000000, 0.0000898000000000, -0.0002602700000000 ] - [ 0.0000465100000000, 0.0000905500000000, -0.0000345400000000 ] - [ -0.0001397900000000, 0.0000788700000000, -0.0001973500000000 ] - [ -0.0042907500000000, -0.0006681300000000, -0.0001642700000000 ] - [ -0.0000948700000000, -0.0007151900000000, 0.0000362700000000 ] - [ -0.0000155600000000, -0.0000329100000000, -0.0001955500000000 ] - [ 0.0001594300000000, -0.0004604700000000, -0.0006669700000000 ] - [ -0.0000527600000000, -0.0000489300000000, -0.0002037000000000 ] - [ 0.0000331800000000, -0.0000556700000000, 0.0004371000000000 ] - [ -0.0016442800000000, -0.0071620600000000, -0.0103886900000000 ] - [ -0.0001677500000000, -0.0000578000000000, -0.0001507200000000 ] - [ 0.0000295100000000, 0.0000433200000000, 0.0001596500000000 ] - [ -0.0001756000000000, -0.0015666100000000, -0.0001706200000000 ] - [ 0.0000695000000000, 0.0000000300000000, 0.0000000900000000 ] - [ 0.0000248800000000, 0.0001896000000000, 0.0002853800000000 ] - [ 0.0021321500000000, -0.0004089500000000, 0.0003379500000000 ] - [ 0.0005622900000000, 0.0002537600000000, -0.0000632300000000 ] - [ 0.0008393000000000, 0.0000238700000000, -0.0000780900000000 ] - [ -0.0001901100000000, -0.0005858700000000, 0.0001573300000000 ] - [ 0.0122556500000000, 0.0118264600000000, 0.0001609200000000 ] - [ -0.0001638700000000, -0.0000076700000000, -0.0000005800000000 ] - [ 0.0059279700000000, 0.0005317100000000, 0.0002581500000000 ] - [ -0.0001643100000000, -0.0001436200000000, 0.0001242400000000 ] - [ 0.0004771600000000, -0.0014236600000000, -0.0014146500000000 ] - [ 0.0011810600000000, 0.0010075500000000, -0.0006478100000000 ] - [ -0.0001570800000000, 0.0002899300000000, -0.0002021400000000 ] - [ 0.0000283600000000, 0.0000499300000000, 0.0004341000000000 ] - [ -0.0009320100000000, -0.0023913900000000, 0.0012741200000000 ] - [ 0.0006866000000000, 0.0010374200000000, -0.0009460100000000 ] - [ -0.0000357100000000, -0.0000633300000000, -0.0001581600000000 ] - [ 0.0009969700000000, -0.0001513300000000, 0.0014554600000000 ] - [ 0.0003995300000000, -0.0001537400000000, -0.0005502100000000 ] - [ -0.0009125600000000, 0.0014277000000000, 0.0007963900000000 ] - [ 0.0001242600000000, -0.0000067300000000, -0.0000179700000000 ] - [ -0.0000270400000000, -0.0000067300000000, 0.0000399100000000 ] - [ 0.0184311800000000, -0.0134343200000000, -0.0032133400000000 ] - [ -0.0000467800000000, 0.0000001200000000, 0.0001597500000000 ] - [ 0.0002361600000000, 0.0000605700000000, 0.0002124000000000 ] - [ -0.0011065700000000, 0.0005418500000000, 0.0006252500000000 ] - [ 0.0003584100000000, 0.0000081700000000, -0.0001747600000000 ] - [ -0.0000082700000000, -0.0001207900000000, -0.0002201600000000 ] - [ 0.0030101400000000, -0.0002628700000000, -0.0001613400000000 ] - [ 0.0000925700000000, -0.0000058200000000, -0.0001648300000000 ] - [ 0.0019749100000000, -0.0007827100000000, 0.0010216900000000 ] - [ 0.0147971500000000, -0.0092322800000000, 0.0004106800000000 ] - [ -0.0000686400000000, 0.0001179700000000, -0.0000198200000000 ] - [ 0.0000486200000000, 0.0000897700000000, -0.0000353500000000 ] - [ -0.0001771800000000, -0.0003084100000000, -0.0001744000000000 ] - [ -0.0002055700000000, -0.0005155600000000, 0.0001384900000000 ] - [ 0.0005086500000000, 0.0000366200000000, 0.0000530900000000 ] - [ 0.0000138100000000, -0.0000205800000000, 0.0000390000000000 ] - [ -0.0000466500000000, 0.0008513700000000, 0.0000149600000000 ] - [ -0.0000586300000000, -0.0001140700000000, 0.0000175000000000 ] - [ 0.0029437800000000, -0.0001983000000000, 0.0090408000000000 ] - [ 0.0000169100000000, 0.0001150700000000, -0.0002028800000000 ] - [ 0.0009989100000000, -0.0013831100000000, -0.0006448300000000 ] - [ 0.0001178100000000, -0.0000527100000000, -0.0002230800000000 ] - [ 0.0001425500000000, 0.0000828100000000, -0.0002089300000000 ] - [ -0.0000703400000000, -0.0001284600000000, -0.0001595400000000 ] - [ -0.0009664600000000, -0.0004681700000000, 0.0005624500000000 ] - [ 0.0004133800000000, -0.0004316400000000, 0.0004449400000000 ] - [ -0.0001121800000000, -0.0000433000000000, -0.0001975100000000 ] - [ 0.0000727500000000, 0.0000067200000000, 0.0000002100000000 ] - [ -0.0001286100000000, 0.0008160300000000, 0.0002996100000000 ] - [ -0.0001361200000000, -0.0002034700000000, -0.0005664800000000 ] - [ -0.0001111300000000, 0.0000022300000000, -0.0000324200000000 ] - [ -0.0019866000000000, 0.0035864100000000, -0.0050641200000000 ] - [ -0.0000243300000000, 0.0000533300000000, -0.0002070500000000 ] - [ -0.0025189300000000, 0.0066817600000000, -0.0095357200000000 ] - [ 0.0001186400000000, 0.0007655800000000, -0.0007700000000000 ]- atom: 96 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001816400000000, -0.0000559300000000, -0.0001760800000000 ] - [ -0.0020775900000000, 0.0000246500000000, -0.0000029100000000 ] - [ 0.0041313900000000, 0.0000698500000000, 0.0001996100000000 ] - [ -0.0001040100000000, 0.0001212600000000, 0.0001010900000000 ] - [ -0.0000265900000000, -0.0000636500000000, 0.0000749700000000 ] - [ 0.0005256000000000, 0.0003332100000000, 0.0000014100000000 ] - [ 0.0000169500000000, -0.0000126300000000, -0.0002014300000000 ] - [ 0.0003450200000000, -0.0000969000000000, 0.0001679900000000 ] - [ -0.0003263500000000, -0.0014048900000000, 0.0000242900000000 ] - [ 0.0003695300000000, 0.0001380500000000, -0.0004227300000000 ] - [ 0.0003571500000000, 0.0014616600000000, 0.0000922600000000 ] - [ 0.0000084600000000, 0.0001003300000000, 0.0001443800000000 ] - [ 0.0000146600000000, -0.0000065200000000, 0.0004216500000000 ] - [ 0.0019231600000000, -0.0007719300000000, 0.0003068400000000 ] - [ -0.0001381800000000, -0.0000112700000000, -0.0000406900000000 ] - [ 0.0000442900000000, 0.0001070200000000, -0.0000515300000000 ] - [ -0.0186334900000000, -0.0005574400000000, -0.0007593900000000 ] - [ 0.0000259600000000, -0.0000387000000000, -0.0003092900000000 ] - [ -0.0218450900000000, -0.0006216300000000, -0.0006002900000000 ] - [ -0.0022748500000000, -0.0070283900000000, 0.0022599900000000 ] - [ 0.0004203200000000, 0.0000541600000000, 0.0001025500000000 ] - [ 0.0004635300000000, -0.0029967900000000, 0.0022494500000000 ] - [ -0.0001125900000000, 0.0002459700000000, 0.0000418200000000 ] - [ -0.0201517400000000, 0.0008162300000000, 0.0000129000000000 ] - [ 0.0078225600000000, -0.0008966100000000, 0.0047088000000000 ] - [ -0.0001425400000000, -0.0002500700000000, 0.0000586600000000 ] - [ 0.0000105900000000, 0.0000041500000000, -0.0001689100000000 ] - [ -0.0000848600000000, 0.0000031300000000, -0.0003449900000000 ] - [ -0.0026164300000000, -0.0061919500000000, -0.0023693600000000 ] - [ 0.0023884600000000, -0.0000979500000000, 0.0000751400000000 ] - [ 0.0000077700000000, 0.0000032200000000, -0.0003130600000000 ] - [ 0.0098517700000000, 0.0017626200000000, -0.0035781400000000 ] - [ 0.0006768600000000, 0.0024761900000000, 0.0024898000000000 ] - [ 0.0023328000000000, 0.0042906500000000, 0.0025064400000000 ] - [ 0.0002647100000000, -0.0000007300000000, 0.0000508900000000 ] - [ 0.0000827000000000, -0.0001836700000000, 0.0004747900000000 ] - [ -0.0001415400000000, 0.0002466700000000, 0.0000388200000000 ] - [ 0.0001692500000000, -0.0014108000000000, -0.0000550200000000 ] - [ -0.0000120600000000, 0.0000003500000000, -0.0003130200000000 ] - [ 0.0000543000000000, -0.0001264200000000, -0.0000403300000000 ] - [ -0.0006039300000000, 0.0009056500000000, 0.0001477200000000 ] - [ -0.0000913700000000, 0.0000117400000000, -0.0000409500000000 ] - [ 0.0001498800000000, 0.0000171800000000, 0.0001252000000000 ] - [ -0.0040728600000000, 0.0078564200000000, 0.0022857300000000 ] - [ 0.0000673700000000, -0.0000908200000000, -0.0000291500000000 ] - [ 0.0000310800000000, 0.0000588300000000, -0.0003422400000000 ] - [ 0.0067129800000000, -0.0007584100000000, -0.0028048200000000 ] - [ -0.0001875500000000, 0.0001518300000000, 0.0000604400000000 ] - [ -0.0020400600000000, 0.0010273800000000, -0.0007474300000000 ] - [ -0.0000233400000000, -0.0000050800000000, -0.0001685800000000 ] - [ 0.0014584300000000, -0.0026414500000000, -0.0010488500000000 ] - [ 0.0004302300000000, 0.0027406800000000, -0.0007307600000000 ] - [ 0.0001128600000000, -0.0002968200000000, 0.0006586600000000 ] - [ -0.0018930500000000, 0.0053044600000000, -0.0014326500000000 ] - [ 0.0024577600000000, 0.0008673800000000, -0.0015258400000000 ] - [ -0.0208128000000000, -0.0003197400000000, 0.0000406200000000 ] - [ 0.0007020400000000, -0.0002656700000000, -0.0016208600000000 ] - [ 0.0000562400000000, 0.0000583200000000, -0.0003193500000000 ] - [ -0.0000590900000000, -0.0000633500000000, -0.0007982700000000 ] - [ 0.0000784600000000, 0.0001132100000000, -0.0000401800000000 ] - [ -0.0015375000000000, -0.0007595100000000, -0.0006687300000000 ] - [ -0.0000767300000000, -0.0000163900000000, -0.0003110500000000 ] - [ 0.0000436100000000, -0.0000743200000000, -0.0002929600000000 ] - [ -0.0000561600000000, -0.0000312600000000, -0.0007105900000000 ] - [ 0.0057199400000000, 0.0006862000000000, 0.0026265900000000 ] - [ -0.0002631900000000, -0.0002659200000000, 0.0001300400000000 ] - [ -0.0001003500000000, -0.0000986400000000, 0.0001343100000000 ] - [ 0.0009599900000000, -0.0017630400000000, 0.0007432200000000 ] - [ 0.0009615700000000, 0.0005810600000000, -0.0017279400000000 ] - [ 0.0002590000000000, -0.0000337200000000, 0.0000225300000000 ] - [ -0.0010185100000000, -0.0000482200000000, 0.0001702200000000 ] - [ -0.0000962600000000, 0.0000599100000000, -0.0002134300000000 ] - [ -0.0016047500000000, -0.0002517000000000, 0.0016000700000000 ] - [ -0.0024216600000000, -0.0006100400000000, -0.0004064500000000 ] - [ -0.0000610900000000, 0.0001095800000000, -0.0001658600000000 ] - [ -0.0000629400000000, -0.0000021800000000, -0.0001935100000000 ] - [ 0.0027706200000000, 0.0026668900000000, 0.0038959700000000 ] - [ 0.0011445000000000, -0.0023240900000000, -0.0011739900000000 ] - [ 0.0000460000000000, -0.0000893500000000, -0.0000360100000000 ] - [ -0.0002669000000000, 0.0005778300000000, 0.0011999300000000 ] - [ -0.0001910700000000, -0.0005480500000000, 0.0010294800000000 ] - [ 0.0000745900000000, -0.0000005200000000, -0.0001797900000000 ] - [ -0.0100163700000000, -0.0004057400000000, -0.0201162400000000 ] - [ 0.0001103700000000, 0.0000672000000000, -0.0002143000000000 ] - [ -0.0001063100000000, 0.0005731800000000, -0.0000138600000000 ] - [ -0.0173978900000000, -0.0136143500000000, -0.0031770200000000 ] - [ -0.0000619400000000, -0.0004074000000000, 0.0001458800000000 ] - [ -0.0030518400000000, -0.0001515100000000, 0.0027035100000000 ] - [ 0.0001688300000000, 0.0000051900000000, -0.0001266300000000 ] - [ 0.0001939900000000, -0.0004770800000000, -0.0000889900000000 ] - [ 0.0006937900000000, 0.0013924100000000, -0.0012359000000000 ] - [ -0.0000300400000000, 0.0000663100000000, -0.0001749400000000 ] - [ -0.0000619500000000, -0.0000038500000000, 0.0004363400000000 ] - [ -0.0000970800000000, -0.0038181400000000, 0.0003452900000000 ] - [ 0.0056261700000000, 0.0008529000000000, 0.0001456200000000 ] - [ 0.1309964900000000, -0.0002167600000000, 0.0012269800000000 ] - [ -0.0001927200000000, 0.0029164400000000, 0.0000975900000000 ] - [ -0.0000034900000000, 0.0000298500000000, -0.0001029600000000 ] - [ 0.0000051500000000, 0.0000256600000000, 0.0000373200000000 ] - [ -0.0001102000000000, -0.0000098000000000, -0.0000320300000000 ] - [ -0.0008688300000000, -0.0006253800000000, -0.0022265700000000 ] - [ -0.0021892800000000, -0.0001857100000000, -0.0013576200000000 ] - [ 0.0001635700000000, 0.0000170200000000, 0.0000377800000000 ] - [ 0.0000600400000000, -0.0000920000000000, -0.0000325200000000 ] - [ 0.0000301100000000, -0.0000611400000000, -0.0002791100000000 ] - [ 0.0000632600000000, 0.0000879900000000, -0.0000339400000000 ] - [ -0.0000908800000000, -0.0001277600000000, 0.0000700700000000 ] - [ 0.0045861800000000, 0.0005881700000000, 0.0004289400000000 ] - [ 0.0001964000000000, 0.0008892700000000, 0.0000309000000000 ] - [ -0.0000329300000000, -0.0000685300000000, -0.0001733300000000 ] - [ 0.0001054700000000, 0.0004518800000000, 0.0006749200000000 ] - [ 0.0000866100000000, 0.0000488200000000, -0.0003357400000000 ] - [ 0.0000284600000000, -0.0000561900000000, 0.0004336600000000 ] - [ 0.0017359800000000, 0.0073566000000000, 0.0105281100000000 ] - [ -0.0000631600000000, 0.0001067800000000, 0.0000211900000000 ] - [ -0.0000302800000000, -0.0000417400000000, 0.0001594900000000 ] - [ -0.0002296400000000, 0.0008719900000000, -0.0001479400000000 ] - [ -0.0000701200000000, -0.0000014200000000, 0.0000000900000000 ] - [ -0.0004349100000000, 0.0005055400000000, 0.0000313400000000 ] - [ -0.0025404100000000, 0.0011060700000000, -0.0006588300000000 ] - [ -0.0009032400000000, 0.0003531800000000, 0.0004337000000000 ] - [ -0.0006307900000000, -0.0001548100000000, 0.0004948700000000 ] - [ -0.0001573200000000, -0.0000147300000000, 0.0002076400000000 ] - [ -0.0125859300000000, -0.0117498400000000, 0.0001105100000000 ] - [ 0.0001627100000000, 0.0000065500000000, -0.0000005700000000 ] - [ -0.0058029100000000, -0.0005257100000000, 0.0001125900000000 ] - [ 0.0002390700000000, -0.0000800800000000, -0.0002522700000000 ] - [ -0.0005251600000000, 0.0014236700000000, 0.0013427400000000 ] - [ -0.0003823800000000, -0.0010154100000000, 0.0003264700000000 ] - [ -0.0001866800000000, 0.0003160000000000, -0.0001661900000000 ] - [ 0.0000320300000000, 0.0000546500000000, 0.0004362900000000 ] - [ 0.0009784900000000, 0.0023928700000000, -0.0007339800000000 ] - [ -0.0008938800000000, -0.0010448500000000, 0.0010226100000000 ] - [ -0.0000278900000000, -0.0000293400000000, -0.0002108200000000 ] - [ -0.0011278200000000, -0.0000767100000000, -0.0014342600000000 ] - [ -0.0007200900000000, -0.0003973400000000, 0.0005461200000000 ] - [ 0.0007769000000000, -0.0014251500000000, -0.0016605600000000 ] - [ 0.0001339800000000, 0.0000050800000000, 0.0000038700000000 ] - [ -0.0000301300000000, 0.0000077800000000, 0.0000443200000000 ] - [ -0.0187563300000000, 0.0135804500000000, 0.0036227600000000 ] - [ 0.0000487300000000, 0.0000001600000000, 0.0001595800000000 ] - [ -0.0000788200000000, -0.0002366700000000, -0.0003435500000000 ] - [ 0.0008852300000000, -0.0004274100000000, -0.0002115500000000 ] - [ 0.0003383000000000, -0.0000029200000000, -0.0001935600000000 ] - [ 0.0000229300000000, -0.0001197700000000, -0.0001961300000000 ] - [ -0.0030069300000000, 0.0002400000000000, -0.0001611900000000 ] - [ 0.0000241500000000, 0.0000094000000000, -0.0002070500000000 ] - [ -0.0018621900000000, 0.0005987400000000, -0.0009419100000000 ] - [ -0.0146911300000000, 0.0088098500000000, -0.0001321100000000 ] - [ -0.0000618600000000, 0.0001048000000000, 0.0000055200000000 ] - [ 0.0000512300000000, 0.0000946800000000, -0.0000330600000000 ] - [ -0.0001697300000000, -0.0002924800000000, -0.0001918700000000 ] - [ -0.0001978800000000, -0.0001829700000000, 0.0001811600000000 ] - [ 0.0002970600000000, -0.0000439600000000, 0.0002642800000000 ] - [ 0.0000157700000000, -0.0000284600000000, 0.0000453200000000 ] - [ 0.0000789200000000, -0.0008893800000000, -0.0000995200000000 ] - [ -0.0000720500000000, -0.0001123000000000, -0.0000300800000000 ] - [ -0.0031389800000000, 0.0002023300000000, -0.0088915100000000 ] - [ 0.0000024600000000, 0.0001261300000000, -0.0002155100000000 ] - [ -0.0009303400000000, 0.0016020100000000, 0.0007627700000000 ] - [ 0.0000872400000000, -0.0000775600000000, -0.0001894300000000 ] - [ -0.0000687900000000, 0.0001459700000000, 0.0000797100000000 ] - [ -0.0000776200000000, -0.0001277900000000, -0.0001053400000000 ] - [ 0.0011591500000000, 0.0006038500000000, -0.0001445700000000 ] - [ 0.0002381700000000, 0.0004363900000000, -0.0004470200000000 ] - [ -0.0001035300000000, -0.0000642800000000, -0.0002185300000000 ] - [ -0.0000737600000000, -0.0000083200000000, 0.0000002100000000 ] - [ -0.0001064000000000, -0.0008751400000000, -0.0001732300000000 ] - [ 0.0001546600000000, -0.0000362200000000, 0.0009774500000000 ] - [ -0.0001004500000000, 0.0000031400000000, -0.0000347200000000 ] - [ 0.0021332600000000, -0.0033947200000000, 0.0051033900000000 ] - [ -0.0000309900000000, 0.0000496600000000, -0.0001646200000000 ] - [ 0.0022187400000000, -0.0066643100000000, 0.0096981000000000 ] - [ -0.0002453100000000, -0.0005342400000000, 0.0007782600000000 ]- atom: 96 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002303600000000, -0.0000459200000000, -0.0024797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0056392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038643300000000 ] - [ -0.0001549400000000, -0.0001765400000000, -0.0024797300000000 ] - [ -0.0000754100000000, 0.0002224500000000, -0.0024797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017435600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011065900000000 ] - [ -0.0001140300000000, 0.0004163800000000, 0.0059695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017299500000000 ] - [ 0.0004013700000000, 0.0004171600000000, 0.0003322500000000 ] - [ -0.0000497000000000, 0.0000583400000000, -0.0011256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013423600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038618800000000 ] - [ 0.0000664200000000, -0.0000209500000000, -0.0017034800000000 ] - [ -0.0000513500000000, -0.0000470400000000, -0.0017034800000000 ] - [ 0.0025290400000000, -0.0000402400000000, 0.0281283800000000 ] - [ 0.0000310300000000, -0.0000817900000000, -0.0021146200000000 ] - [ -0.0012296800000000, 0.0022103300000000, 0.0281283800000000 ] - [ -0.0020170600000000, 0.0022262800000000, 0.0056511100000000 ] - [ 0.0002588200000000, 0.0001621200000000, -0.0017141300000000 ] - [ -0.0025974200000000, 0.0037482900000000, -0.0022190100000000 ] - [ 0.0001979700000000, 0.0002878300000000, -0.0019005400000000 ] - [ -0.0012993700000000, -0.0021701000000000, 0.0281283800000000 ] - [ -0.0049279100000000, 0.0003939200000000, 0.0063688500000000 ] - [ -0.0002390800000000, -0.0003740200000000, -0.0015962500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019447700000000 ] - [ 0.0000132200000000, 0.0000280400000000, -0.0020683400000000 ] - [ 0.0021228100000000, -0.0044646500000000, 0.0063688500000000 ] - [ -0.0005619500000000, 0.0001390200000000, 0.0003322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021149900000000 ] - [ 0.0029365500000000, 0.0006336800000000, 0.0056511100000000 ] - [ -0.0023687400000000, -0.0039182700000000, -0.0019605300000000 ] - [ -0.0003035800000000, -0.0003069500000000, 0.0059695300000000 ] - [ 0.0004434500000000, -0.0000200400000000, -0.0015962500000000 ] - [ 0.0000753700000000, 0.0000138700000000, -0.0011256500000000 ] - [ -0.0002043700000000, 0.0003940600000000, -0.0015962500000000 ] - [ 0.0001605800000000, -0.0005561700000000, 0.0003322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021748100000000 ] - [ -0.0000629500000000, 0.0000284200000000, -0.0016891500000000 ] - [ -0.0006123900000000, -0.0006422900000000, 0.0004791700000000 ] - [ 0.0000560900000000, 0.0000403000000000, -0.0016891500000000 ] - [ 0.0001502800000000, -0.0003153700000000, -0.0019005400000000 ] - [ -0.0009194900000000, -0.0028599600000000, 0.0056511100000000 ] - [ -0.0000150600000000, 0.0000679900000000, -0.0017034800000000 ] - [ 0.0000176800000000, -0.0000254700000000, -0.0020683400000000 ] - [ 0.0004176100000000, -0.0001094400000000, 0.0059695300000000 ] - [ -0.0002698100000000, 0.0001430900000000, -0.0017141300000000 ] - [ -0.0022089500000000, 0.0040105300000000, -0.0019605300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022367000000000 ] - [ 0.0047804400000000, -0.0053235900000000, -0.0002371100000000 ] - [ 0.0022201400000000, 0.0068017800000000, -0.0002371100000000 ] - [ -0.0001749400000000, 0.0000303600000000, -0.0023563400000000 ] - [ 0.0028051000000000, 0.0040707300000000, 0.0063688500000000 ] - [ 0.0008624300000000, -0.0002092000000000, 0.0004791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0945616800000000 ] - [ 0.0045776900000000, -0.0000922500000000, -0.0019605300000000 ] - [ 0.0000553200000000, 0.0000677700000000, -0.0021146200000000 ] - [ 0.0000611800000000, -0.0001666800000000, -0.0023563400000000 ] - [ 0.0000068600000000, -0.0000687200000000, -0.0016891500000000 ] - [ -0.0019474100000000, -0.0041235800000000, -0.0022190100000000 ] - [ -0.0000863500000000, 0.0000140200000000, -0.0021146200000000 ] - [ -0.0000308900000000, -0.0000025800000000, -0.0020683400000000 ] - [ 0.0001137600000000, 0.0001363200000000, -0.0023563400000000 ] - [ -0.0070005900000000, -0.0014781900000000, -0.0002371100000000 ] - [ -0.0003482600000000, 0.0000275300000000, -0.0019005400000000 ] - [ 0.0000109900000000, -0.0003052100000000, -0.0017141300000000 ] - [ -0.0002500400000000, 0.0008514900000000, 0.0004791700000000 ] - [ 0.0045448300000000, 0.0003752900000000, -0.0022190100000000 ] - [ -0.0000256800000000, -0.0000722100000000, -0.0011256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029867700000000 ] - [ -0.0000304300000000, 0.0001863600000000, 0.0010524700000000 ] - [ -0.0017289600000000, -0.0000462000000000, -0.0015584500000000 ] - [ 0.0016197100000000, 0.0011814100000000, -0.0025611800000000 ] - [ -0.0000238900000000, 0.0001167800000000, 0.0011121300000000 ] - [ 0.0000207500000000, 0.0001796300000000, 0.0007837000000000 ] - [ -0.0050581900000000, 0.0090829600000000, 0.0091245100000000 ] - [ 0.0017643900000000, 0.0021158700000000, -0.0023678300000000 ] - [ 0.0000822300000000, -0.0001348300000000, 0.0011641500000000 ] - [ -0.0012583800000000, 0.0013531100000000, 0.0026657400000000 ] - [ -0.0005426400000000, -0.0017663500000000, 0.0026657400000000 ] - [ 0.0000588100000000, 0.0002284300000000, 0.0009771800000000 ] - [ 0.0229260000000000, 0.0000905400000000, 0.0202948400000000 ] - [ 0.0001766100000000, -0.0000668200000000, 0.0010524700000000 ] - [ 0.0002871100000000, 0.0000515800000000, 0.0006719200000000 ] - [ 0.0029182100000000, 0.0016682100000000, -0.0070676300000000 ] - [ -0.0001882300000000, 0.0002228600000000, 0.0006719200000000 ] - [ -0.0027145900000000, 0.0004700800000000, -0.0023678300000000 ] - [ 0.0001130800000000, -0.0000376900000000, 0.0011121300000000 ] - [ 0.0005885500000000, 0.0000862900000000, 0.0007330600000000 ] - [ 0.0009044900000000, -0.0014742200000000, -0.0015584500000000 ] - [ 0.0001484800000000, 0.0001279600000000, 0.0009355500000000 ] - [ -0.0000817700000000, 0.0000047800000000, 0.0018136000000000 ] - [ -0.0006398800000000, 0.0003362500000000, -0.0027936200000000 ] - [ -0.0000144000000000, -0.0033613500000000, -0.0070676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2374812400000000 ] - [ 0.0006111400000000, 0.0003860300000000, -0.0027936200000000 ] - [ -0.0000271600000000, 0.0006063800000000, 0.0006461700000000 ] - [ 0.0000564700000000, 0.0001045100000000, 0.0013154400000000 ] - [ -0.0001578800000000, -0.0000038000000000, 0.0011641500000000 ] - [ 0.0018010200000000, 0.0004132400000000, 0.0026657400000000 ] - [ 0.0016591900000000, 0.0009234800000000, -0.0015782400000000 ] - [ 0.0001027600000000, 0.0000852000000000, 0.0014714700000000 ] - [ 0.0000744500000000, -0.0001426000000000, 0.0011821200000000 ] - [ 0.0001451900000000, -0.0001077900000000, 0.0007837000000000 ] - [ 0.0000862700000000, 0.0001357800000000, 0.0011821200000000 ] - [ 0.0000093800000000, -0.0003538900000000, 0.0012053200000000 ] - [ -0.0003049800000000, 0.0019116200000000, -0.0068666700000000 ] - [ 0.0001840200000000, 0.0017145200000000, -0.0016943500000000 ] - [ -0.0001850600000000, 0.0000646100000000, 0.0009355500000000 ] - [ -0.0009201100000000, 0.0017231200000000, 0.0015590800000000 ] - [ -0.0001659400000000, -0.0000718400000000, 0.0007837000000000 ] - [ 0.0000367500000000, -0.0000732100000000, 0.0018136000000000 ] - [ -0.0115414100000000, 0.0198092200000000, 0.0202948400000000 ] - [ -0.0001251600000000, 0.0000464000000000, 0.0014714700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015843500000000 ] - [ -0.0002914800000000, 0.0015960700000000, -0.0008670700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015858400000000 ] - [ -0.0001274200000000, 0.0002068000000000, 0.0009516900000000 ] - [ 0.0015279800000000, -0.0005456000000000, -0.0008670700000000 ] - [ -0.0003690000000000, 0.0004665500000000, 0.0007330600000000 ] - [ -0.0000988900000000, -0.0002744400000000, 0.0006719200000000 ] - [ -0.0002195400000000, -0.0005528400000000, 0.0007330600000000 ] - [ -0.0015030200000000, -0.0012199300000000, -0.0068666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021245800000000 ] - [ 0.0000287400000000, -0.0007222800000000, -0.0027936200000000 ] - [ 0.0000224000000000, -0.0001315900000000, 0.0014714700000000 ] - [ -0.0016293500000000, 0.0009751700000000, -0.0015782400000000 ] - [ -0.0012365000000000, -0.0010504700000000, -0.0008670700000000 ] - [ -0.0001182700000000, 0.0002075200000000, 0.0010154500000000 ] - [ 0.0000450200000000, 0.0000684300000000, 0.0018136000000000 ] - [ 0.0009502000000000, -0.0025859400000000, -0.0023678300000000 ] - [ -0.0015768300000000, -0.0006978900000000, -0.0016943500000000 ] - [ 0.0001684200000000, -0.0001651500000000, 0.0009771800000000 ] - [ 0.0019523200000000, -0.0000647200000000, 0.0015590800000000 ] - [ -0.0005115600000000, -0.0003267100000000, 0.0006461700000000 ] - [ 0.0008244700000000, 0.0015204200000000, -0.0015584500000000 ] - [ 0.0001058600000000, 0.0000119500000000, 0.0010115100000000 ] - [ -0.0001187400000000, -0.0000033500000000, 0.0013154400000000 ] - [ -0.0029038200000000, 0.0016931500000000, -0.0070676300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016790300000000 ] - [ 0.0003017900000000, 0.0001850700000000, 0.0012053200000000 ] - [ 0.0003318500000000, 0.0007865500000000, 0.0021674900000000 ] - [ 0.0002388500000000, -0.0000013400000000, 0.0010154500000000 ] - [ -0.0001461700000000, -0.0001195300000000, 0.0010524700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038260700000000 ] - [ 0.0000365700000000, -0.0001925700000000, 0.0009355500000000 ] - [ 0.0013928100000000, -0.0010166200000000, -0.0016943500000000 ] - [ 0.0018080000000000, -0.0006916900000000, -0.0068666700000000 ] - [ -0.0000632800000000, 0.0000857000000000, 0.0010115100000000 ] - [ 0.0000756500000000, 0.0001386300000000, 0.0011641500000000 ] - [ -0.0001205800000000, -0.0002061800000000, 0.0010154500000000 ] - [ -0.0001153800000000, -0.0002137500000000, 0.0009516900000000 ] - [ 0.0002428000000000, 0.0000069500000000, 0.0009516900000000 ] - [ 0.0000622700000000, -0.0001011600000000, 0.0013154400000000 ] - [ -0.0000298400000000, -0.0018986400000000, -0.0015782400000000 ] - [ -0.0000425800000000, -0.0000976500000000, 0.0010115100000000 ] - [ 0.0103951700000000, -0.0001609600000000, 0.0091245100000000 ] - [ -0.0000797000000000, 0.0001215800000000, 0.0009947000000000 ] - [ -0.0018329800000000, 0.0008120000000000, -0.0025611800000000 ] - [ 0.0001451400000000, 0.0000082400000000, 0.0009947000000000 ] - [ -0.0003111700000000, 0.0001688200000000, 0.0012053200000000 ] - [ -0.0000891800000000, -0.0000790800000000, 0.0011121300000000 ] - [ 0.0005152500000000, -0.0006806600000000, 0.0021674900000000 ] - [ 0.0005387200000000, -0.0002796700000000, 0.0006461700000000 ] - [ -0.0000654400000000, -0.0001298100000000, 0.0009947000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015786300000000 ] - [ 0.0002132800000000, -0.0019934100000000, -0.0025611800000000 ] - [ -0.0008471000000000, -0.0001058900000000, 0.0021674900000000 ] - [ -0.0001607200000000, 0.0000068200000000, 0.0011821200000000 ] - [ -0.0053369800000000, -0.0089220000000000, 0.0091245100000000 ] - [ -0.0002272300000000, -0.0000632800000000, 0.0009771800000000 ] - [ -0.0113845900000000, -0.0198997700000000, 0.0202948400000000 ] - [ -0.0010322100000000, -0.0016584000000000, 0.0015590800000000 ]- atom: 96 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001697100000000, -0.0000552900000000, 0.0024724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0056387300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034404100000000 ] - [ 0.0000369700000000, 0.0001746200000000, 0.0024724700000000 ] - [ 0.0001327400000000, -0.0001193300000000, 0.0024724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014436000000000 ] - [ -0.0002119800000000, 0.0000124900000000, -0.0061878000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008856200000000 ] - [ -0.0002573300000000, -0.0002183400000000, -0.0002415200000000 ] - [ 0.0000278700000000, -0.0000206300000000, 0.0015459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021822200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031989000000000 ] - [ -0.0003095400000000, -0.0000048800000000, 0.0016184300000000 ] - [ 0.0001505400000000, 0.0002705100000000, 0.0016184300000000 ] - [ -0.0017675200000000, 0.0005882000000000, -0.0288387800000000 ] - [ 0.0000363400000000, -0.0000348200000000, 0.0014827800000000 ] - [ 0.0003743700000000, -0.0018248100000000, -0.0288387800000000 ] - [ 0.0020954800000000, -0.0020688300000000, -0.0049338100000000 ] - [ 0.0002619800000000, -0.0000932000000000, 0.0019055600000000 ] - [ 0.0022929900000000, -0.0041973700000000, 0.0021059100000000 ] - [ -0.0003986700000000, 0.0001976800000000, 0.0020920300000000 ] - [ 0.0013931500000000, 0.0012366200000000, -0.0288387800000000 ] - [ 0.0049610600000000, -0.0002859700000000, -0.0056528000000000 ] - [ -0.0000403100000000, -0.0001093600000000, 0.0016908600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016027700000000 ] - [ -0.0001715200000000, -0.0000280900000000, 0.0014100200000000 ] - [ -0.0022328700000000, 0.0044393900000000, -0.0056528000000000 ] - [ 0.0003177500000000, -0.0001136800000000, -0.0002415200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014843500000000 ] - [ -0.0028394000000000, -0.0007803300000000, -0.0049338100000000 ] - [ 0.0024851600000000, 0.0036869400000000, 0.0020306900000000 ] - [ 0.0000951700000000, -0.0001898200000000, -0.0061878000000000 ] - [ 0.0001148700000000, 0.0000197700000000, 0.0016908600000000 ] - [ -0.0000318000000000, -0.0000138200000000, 0.0015459000000000 ] - [ -0.0000745500000000, 0.0000895900000000, 0.0016908600000000 ] - [ -0.0000604200000000, 0.0003320200000000, -0.0002415200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015443000000000 ] - [ 0.0001619400000000, -0.0002521000000000, 0.0016042300000000 ] - [ 0.0005950900000000, 0.0006773500000000, -0.0009147200000000 ] - [ -0.0002992900000000, -0.0000141900000000, 0.0016042300000000 ] - [ 0.0003705300000000, 0.0002464100000000, 0.0020920300000000 ] - [ 0.0007439200000000, 0.0028491500000000, -0.0049338100000000 ] - [ 0.0001589900000000, -0.0002656300000000, 0.0016184300000000 ] - [ 0.0000614300000000, 0.0001625900000000, 0.0014100200000000 ] - [ 0.0001168100000000, 0.0001773300000000, -0.0061878000000000 ] - [ -0.0000502700000000, 0.0002734800000000, 0.0019055600000000 ] - [ 0.0019504100000000, -0.0039956800000000, 0.0020306900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018914700000000 ] - [ -0.0046771100000000, 0.0054727900000000, 0.0007826800000000 ] - [ -0.0024010200000000, -0.0067868900000000, 0.0007826800000000 ] - [ 0.0002706200000000, -0.0001960700000000, 0.0017843700000000 ] - [ -0.0027281900000000, -0.0041534200000000, -0.0056528000000000 ] - [ -0.0008841500000000, 0.0001766900000000, -0.0009147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0869499900000000 ] - [ -0.0044355600000000, 0.0003087400000000, 0.0020306900000000 ] - [ 0.0000119900000000, 0.0000488800000000, 0.0014827800000000 ] - [ 0.0000344900000000, 0.0003324000000000, 0.0017843700000000 ] - [ 0.0001373600000000, 0.0002662900000000, 0.0016042300000000 ] - [ 0.0024885300000000, 0.0040844700000000, 0.0021059100000000 ] - [ -0.0000483200000000, -0.0000140600000000, 0.0014827800000000 ] - [ 0.0001100900000000, -0.0001344900000000, 0.0014100200000000 ] - [ -0.0003051200000000, -0.0001363300000000, 0.0017843700000000 ] - [ 0.0070781300000000, 0.0013141000000000, 0.0007826800000000 ] - [ 0.0000281300000000, -0.0004441000000000, 0.0020920300000000 ] - [ -0.0002117000000000, -0.0001802800000000, 0.0019055600000000 ] - [ 0.0002890600000000, -0.0008540400000000, -0.0009147200000000 ] - [ -0.0047815200000000, 0.0001129000000000, 0.0021059100000000 ] - [ 0.0000039300000000, 0.0000344500000000, 0.0015459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033036800000000 ] - [ -0.0001855900000000, -0.0000775100000000, -0.0014638500000000 ] - [ 0.0017725800000000, -0.0000595400000000, 0.0006678900000000 ] - [ -0.0014642600000000, -0.0013622800000000, 0.0026996900000000 ] - [ -0.0001237000000000, 0.0001388400000000, -0.0013731800000000 ] - [ -0.0000376000000000, -0.0002087300000000, -0.0013190100000000 ] - [ 0.0050726100000000, -0.0091169100000000, -0.0089104500000000 ] - [ -0.0017818600000000, -0.0020802800000000, 0.0029180600000000 ] - [ 0.0000280100000000, -0.0000452000000000, -0.0012285700000000 ] - [ 0.0014838700000000, -0.0009709400000000, -0.0026661300000000 ] - [ 0.0000989200000000, 0.0017705400000000, -0.0026661300000000 ] - [ 0.0000555900000000, -0.0002329800000000, -0.0013438700000000 ] - [ -0.0231520300000000, -0.0003161600000000, -0.0204101300000000 ] - [ 0.0000256700000000, 0.0001994900000000, -0.0014638500000000 ] - [ -0.0002708900000000, 0.0001882100000000, -0.0002591000000000 ] - [ -0.0030645100000000, -0.0016371200000000, 0.0073580400000000 ] - [ -0.0000275500000000, -0.0003287000000000, -0.0002591000000000 ] - [ 0.0026925100000000, -0.0005030000000000, 0.0029180600000000 ] - [ 0.0001820900000000, 0.0000377000000000, -0.0013731800000000 ] - [ 0.0001093200000000, -0.0000850000000000, -0.0003701700000000 ] - [ -0.0008347300000000, 0.0015648700000000, 0.0006678900000000 ] - [ -0.0002095700000000, -0.0000312300000000, -0.0013022700000000 ] - [ -0.0000434600000000, -0.0000046600000000, -0.0009401400000000 ] - [ 0.0005870000000000, -0.0004368400000000, 0.0031527100000000 ] - [ 0.0001144700000000, 0.0034725100000000, 0.0073580400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2322156900000000 ] - [ -0.0006718200000000, -0.0002899300000000, 0.0031527100000000 ] - [ -0.0002973800000000, -0.0000456000000000, -0.0006407200000000 ] - [ -0.0000274800000000, -0.0000543300000000, -0.0012273900000000 ] - [ -0.0000531400000000, -0.0000016600000000, -0.0012285700000000 ] - [ -0.0015827900000000, -0.0007996000000000, -0.0026661300000000 ] - [ -0.0016149200000000, -0.0008608300000000, 0.0014674400000000 ] - [ 0.0000560000000000, 0.0000910300000000, -0.0015970300000000 ] - [ 0.0000262200000000, -0.0000426700000000, -0.0012465300000000 ] - [ -0.0001619600000000, 0.0001369300000000, -0.0013190100000000 ] - [ 0.0000238400000000, 0.0000440400000000, -0.0012465300000000 ] - [ -0.0002415100000000, 0.0003046900000000, -0.0013311000000000 ] - [ 0.0006002200000000, -0.0020093200000000, 0.0070860300000000 ] - [ -0.0000817800000000, -0.0015137100000000, 0.0017393700000000 ] - [ 0.0001318300000000, -0.0001658800000000, -0.0013022700000000 ] - [ 0.0011700000000000, -0.0017074400000000, -0.0015371200000000 ] - [ 0.0001995600000000, 0.0000718000000000, -0.0013190100000000 ] - [ 0.0000257700000000, -0.0000353100000000, -0.0009401400000000 ] - [ 0.0118498200000000, -0.0198921700000000, -0.0204101300000000 ] - [ -0.0001068400000000, 0.0000029800000000, -0.0015970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012600500000000 ] - [ -0.0001115100000000, -0.0023018100000000, 0.0005540900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015829200000000 ] - [ -0.0002759900000000, 0.0004921100000000, -0.0006311700000000 ] - [ -0.0019376700000000, 0.0012474800000000, 0.0005540900000000 ] - [ 0.0000189500000000, 0.0001371700000000, -0.0003701700000000 ] - [ 0.0002984300000000, 0.0001404900000000, -0.0002591000000000 ] - [ -0.0001282700000000, -0.0000521700000000, -0.0003701700000000 ] - [ 0.0014400100000000, 0.0015244600000000, 0.0070860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021155200000000 ] - [ 0.0000848200000000, 0.0007267700000000, 0.0031527100000000 ] - [ 0.0000508400000000, -0.0000940200000000, -0.0015970300000000 ] - [ 0.0015529600000000, -0.0009681500000000, 0.0014674400000000 ] - [ 0.0020491800000000, 0.0010543300000000, 0.0005540900000000 ] - [ -0.0002296300000000, 0.0003951100000000, -0.0013791800000000 ] - [ 0.0000176900000000, 0.0000399700000000, -0.0009401400000000 ] - [ -0.0009106500000000, 0.0025832800000000, 0.0029180600000000 ] - [ 0.0013518000000000, 0.0006860300000000, 0.0017393700000000 ] - [ -0.0002295600000000, 0.0000683400000000, -0.0013438700000000 ] - [ -0.0020636900000000, -0.0001595300000000, -0.0015371200000000 ] - [ 0.0001881800000000, -0.0002347400000000, -0.0006407200000000 ] - [ -0.0009378600000000, -0.0015053300000000, 0.0006678900000000 ] - [ 0.0001531300000000, -0.0000118100000000, -0.0010208300000000 ] - [ 0.0000607900000000, 0.0000033600000000, -0.0012273900000000 ] - [ 0.0029500400000000, -0.0018353900000000, 0.0073580400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013541300000000 ] - [ -0.0001431100000000, -0.0003614900000000, -0.0013311000000000 ] - [ -0.0005426800000000, -0.0006700800000000, -0.0017387200000000 ] - [ 0.0004569900000000, 0.0000013100000000, -0.0013791800000000 ] - [ 0.0001599300000000, -0.0001219700000000, -0.0014638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035003400000000 ] - [ 0.0000777400000000, 0.0001971100000000, -0.0013022700000000 ] - [ -0.0012700200000000, 0.0008276800000000, 0.0017393700000000 ] - [ -0.0020402300000000, 0.0004848600000000, 0.0070860300000000 ] - [ -0.0000663400000000, 0.0001385300000000, -0.0010208300000000 ] - [ 0.0000251400000000, 0.0000468500000000, -0.0012285700000000 ] - [ -0.0002273600000000, -0.0003964200000000, -0.0013791800000000 ] - [ -0.0002881800000000, -0.0004850700000000, -0.0006311700000000 ] - [ 0.0005641700000000, -0.0000070400000000, -0.0006311700000000 ] - [ -0.0000333100000000, 0.0000509700000000, -0.0012273900000000 ] - [ 0.0000619600000000, 0.0018289700000000, 0.0014674400000000 ] - [ -0.0000868000000000, -0.0001267100000000, -0.0010208300000000 ] - [ -0.0104317800000000, 0.0001654500000000, -0.0089104500000000 ] - [ 0.0000941900000000, 0.0001199700000000, -0.0014066700000000 ] - [ 0.0019119100000000, -0.0005869500000000, 0.0026996900000000 ] - [ 0.0000568100000000, -0.0001415500000000, -0.0014066700000000 ] - [ 0.0003846200000000, 0.0000568100000000, -0.0013311000000000 ] - [ -0.0000583900000000, -0.0001765500000000, -0.0013731800000000 ] - [ -0.0003089600000000, 0.0008050200000000, -0.0017387200000000 ] - [ 0.0001092000000000, 0.0002803400000000, -0.0006407200000000 ] - [ -0.0001509900000000, 0.0000215800000000, -0.0014066700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015755300000000 ] - [ -0.0004476400000000, 0.0019492300000000, 0.0026996900000000 ] - [ 0.0008516500000000, -0.0001349400000000, -0.0017387200000000 ] - [ -0.0000500700000000, -0.0000013700000000, -0.0012465300000000 ] - [ 0.0053591700000000, 0.0089514600000000, -0.0089104500000000 ] - [ 0.0001739700000000, 0.0001646300000000, -0.0013438700000000 ] - [ 0.0113022100000000, 0.0202083300000000, -0.0204101300000000 ] - [ 0.0008936900000000, 0.0018669700000000, -0.0015371200000000 ]- atom: 98 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000284000000000, -0.0000432000000000, 0.0000000000000000 ] - [ 0.0009153100000000, -0.0034140800000000, 0.0000000000000000 ] - [ 0.0006424400000000, 0.0003559600000000, -0.0003027200000000 ] - [ -0.0000581100000000, -0.0000029000000000, 0.0000000000000000 ] - [ 0.0000312700000000, 0.0000489200000000, 0.0000000000000000 ] - [ -0.0084317300000000, 0.0021259600000000, 0.0000000000000000 ] - [ 0.0006424400000000, 0.0003559600000000, 0.0003027200000000 ] - [ -0.0000261000000000, -0.0000026500000000, 0.0001742300000000 ] - [ -0.0026936800000000, 0.0002277800000000, -0.0000390000000000 ] - [ 0.0000146200000000, 0.0000023200000000, -0.0004304200000000 ] - [ 0.0001215200000000, 0.0000826200000000, 0.0001065200000000 ] - [ 0.0228226800000000, -0.0091310600000000, -0.0306704400000000 ] - [ 0.0000146200000000, 0.0000023200000000, 0.0004304200000000 ] - [ -0.0001872500000000, -0.0000320600000000, 0.0004758200000000 ] - [ -0.0000658300000000, -0.0000209400000000, -0.0000187600000000 ] - [ 0.0000385100000000, 0.0001772500000000, -0.0000199400000000 ] - [ -0.0005024100000000, -0.0011128100000000, -0.0003901700000000 ] - [ 0.0004471700000000, -0.0000114600000000, -0.0006543300000000 ] - [ -0.0007322600000000, 0.0002445100000000, -0.0001562700000000 ] - [ 0.0001108500000000, -0.0002519900000000, -0.0003308800000000 ] - [ -0.0007680700000000, -0.0003681700000000, 0.0001003900000000 ] - [ -0.0001621800000000, -0.0002745100000000, -0.0000717900000000 ] - [ -0.0005024100000000, -0.0011128100000000, 0.0003901700000000 ] - [ 0.0024620500000000, 0.0008443300000000, -0.0002145300000000 ] - [ -0.0000216500000000, -0.0001144400000000, 0.0003468600000000 ] - [ -0.0001621800000000, -0.0002745100000000, 0.0000717900000000 ] - [ -0.0000261000000000, -0.0000026500000000, -0.0001742300000000 ] - [ -0.0002032000000000, -0.0002403200000000, -0.0007344600000000 ] - [ -0.0003709900000000, 0.0002568200000000, 0.0001262800000000 ] - [ -0.0001517900000000, 0.0000319700000000, 0.0000447500000000 ] - [ -0.0001872500000000, -0.0000320600000000, -0.0004758200000000 ] - [ 0.0000287900000000, 0.0003051800000000, 0.0004561700000000 ] - [ 0.0001022800000000, -0.0001428600000000, 0.0000548100000000 ] - [ -0.0007442800000000, 0.0004668200000000, 0.0021021400000000 ] - [ 0.0002185200000000, 0.0000078000000000, 0.0000381600000000 ] - [ -0.0033856400000000, 0.0055779000000000, 0.0005881000000000 ] - [ -0.0001076200000000, 0.0002767000000000, -0.0000043900000000 ] - [ 0.0000230100000000, -0.0001202300000000, -0.0000331800000000 ] - [ 0.0000097900000000, -0.0000065000000000, -0.0002724100000000 ] - [ 0.0000230100000000, -0.0001202300000000, 0.0000331800000000 ] - [ 0.0228226800000000, -0.0091310600000000, 0.0306704400000000 ] - [ -0.0001517900000000, 0.0000319700000000, -0.0000447500000000 ] - [ 0.0024620500000000, 0.0008443300000000, 0.0002145300000000 ] - [ -0.0002032000000000, -0.0002403200000000, 0.0007344600000000 ] - [ 0.0001022800000000, -0.0001428600000000, -0.0000548100000000 ] - [ 0.0001108500000000, -0.0002519900000000, 0.0003308800000000 ] - [ -0.0007680700000000, -0.0003681700000000, -0.0001003900000000 ] - [ -0.0026936800000000, 0.0002277800000000, 0.0000390000000000 ] - [ -0.0000658300000000, -0.0000209400000000, 0.0000187600000000 ] - [ 0.0000049200000000, -0.0000096800000000, -0.0001694200000000 ] - [ -0.0051469200000000, -0.0045674800000000, -0.0037224500000000 ] - [ -0.0024191200000000, -0.0039682800000000, 0.0048820800000000 ] - [ -0.0003492400000000, 0.0021117800000000, -0.0017159800000000 ] - [ 0.0004471700000000, -0.0000114600000000, 0.0006543300000000 ] - [ 0.0017383200000000, -0.0010448100000000, -0.0007185000000000 ] - [ 0.0000097900000000, -0.0000065000000000, 0.0002724100000000 ] - [ 0.0000385100000000, 0.0001772500000000, 0.0000199400000000 ] - [ -0.0000216500000000, -0.0001144400000000, -0.0003468600000000 ] - [ -0.0051469200000000, -0.0045674800000000, 0.0037224500000000 ] - [ 0.0001215200000000, 0.0000826200000000, -0.0001065200000000 ] - [ 0.0002185200000000, 0.0000078000000000, -0.0000381600000000 ] - [ -0.0003709900000000, 0.0002568200000000, -0.0001262800000000 ] - [ 0.0000287900000000, 0.0003051800000000, -0.0004561700000000 ] - [ -0.0024191200000000, -0.0039682800000000, -0.0048820800000000 ] - [ -0.0003492400000000, 0.0021117800000000, 0.0017159800000000 ] - [ -0.0007322600000000, 0.0002445100000000, 0.0001562700000000 ] - [ -0.0007442800000000, 0.0004668200000000, -0.0021021400000000 ] - [ -0.0033856400000000, 0.0055779000000000, -0.0005881000000000 ] - [ -0.0001076200000000, 0.0002767000000000, 0.0000043900000000 ] - [ 0.0017383200000000, -0.0010448100000000, 0.0007185000000000 ] - [ 0.0000049200000000, -0.0000096800000000, 0.0001694200000000 ] - [ -0.0000992600000000, 0.0000706900000000, -0.0001948700000000 ] - [ 0.0000335300000000, -0.0001264800000000, -0.0004848700000000 ] - [ 0.0008092200000000, -0.0006894300000000, -0.0006982900000000 ] - [ 0.0000164400000000, -0.0002750700000000, 0.0004717200000000 ] - [ 0.0002650500000000, 0.0008305500000000, -0.0001779800000000 ] - [ 0.0000903300000000, -0.0000810700000000, 0.0000349200000000 ] - [ -0.0051107000000000, -0.0025981300000000, -0.0054736400000000 ] - [ 0.0001263200000000, -0.0001052200000000, -0.0000215800000000 ] - [ 0.0061822200000000, 0.0027452300000000, 0.0000000000000000 ] - [ 0.0036401600000000, 0.0049148700000000, 0.0000000000000000 ] - [ -0.0008599700000000, 0.0001747700000000, -0.0002063800000000 ] - [ -0.0003392800000000, -0.0006734900000000, -0.0001753600000000 ] - [ 0.0000847700000000, 0.0000834700000000, -0.0002193700000000 ] - [ 0.0000254000000000, 0.0001249000000000, 0.0002209400000000 ] - [ -0.0000624500000000, 0.0002789500000000, -0.0000203300000000 ] - [ -0.0000842400000000, -0.0000502800000000, 0.0001913600000000 ] - [ 0.0002650500000000, 0.0008305500000000, 0.0001779800000000 ] - [ 0.0006607600000000, 0.0001715800000000, 0.0000197200000000 ] - [ 0.0003326500000000, 0.0000060200000000, 0.0001738900000000 ] - [ -0.0000147400000000, 0.0000966700000000, -0.0003360700000000 ] - [ 0.0003817500000000, -0.0000030900000000, -0.0008207700000000 ] - [ -0.0000401700000000, 0.0000407600000000, 0.0005422900000000 ] - [ -0.0001514000000000, 0.0000610200000000, -0.0004160500000000 ] - [ -0.0008599700000000, 0.0001747700000000, 0.0002063800000000 ] - [ -0.0001572800000000, 0.0002921500000000, -0.0000244500000000 ] - [ 0.0003817500000000, -0.0000030900000000, 0.0008207700000000 ] - [ -0.0381344200000000, 0.0229772500000000, 0.0000000000000000 ] - [ -0.0000329200000000, -0.0000414000000000, 0.0000221800000000 ] - [ -0.0001006000000000, -0.0000130900000000, 0.0001124900000000 ] - [ 0.0005552600000000, -0.0034800100000000, 0.0000000000000000 ] - [ -0.0000329200000000, -0.0000414000000000, -0.0000221800000000 ] - [ -0.0002646800000000, 0.0019354500000000, -0.0016581700000000 ] - [ 0.0000903300000000, -0.0000810700000000, -0.0000349200000000 ] - [ -0.0051107000000000, -0.0025981300000000, 0.0054736400000000 ] - [ -0.0000294700000000, 0.0001046200000000, -0.0000291900000000 ] - [ 0.0018132200000000, 0.0000368500000000, 0.0020742400000000 ] - [ 0.0006607600000000, 0.0001715800000000, -0.0000197200000000 ] - [ 0.0001837500000000, 0.0000921200000000, 0.0000916100000000 ] - [ -0.0001514000000000, 0.0000610200000000, 0.0004160500000000 ] - [ 0.0001477900000000, -0.0000045400000000, 0.0000254000000000 ] - [ 0.0019926700000000, -0.0007865800000000, -0.0009834800000000 ] - [ 0.0000335300000000, -0.0001264800000000, 0.0004848700000000 ] - [ -0.0002646800000000, 0.0019354500000000, 0.0016581700000000 ] - [ 0.0003464300000000, 0.0010211900000000, 0.0006871000000000 ] - [ 0.0005609300000000, -0.0001599000000000, 0.0005075000000000 ] - [ 0.0082388300000000, -0.0046615400000000, 0.0110835100000000 ] - [ 0.0000075700000000, -0.0000007400000000, 0.0000000000000000 ] - [ -0.0006954700000000, -0.0015535400000000, 0.0001965100000000 ] - [ -0.0006954700000000, -0.0015535400000000, -0.0001965100000000 ] - [ -0.0001749300000000, 0.0002842200000000, 0.0001870600000000 ] - [ 0.0001162800000000, -0.0000753100000000, 0.0001896800000000 ] - [ -0.0001922000000000, -0.0003020100000000, 0.0001994100000000 ] - [ 0.0000164400000000, -0.0002750700000000, -0.0004717200000000 ] - [ -0.0000022700000000, 0.0000033300000000, 0.0000000000000000 ] - [ 0.0001811800000000, -0.0001640300000000, 0.0000475100000000 ] - [ -0.0003392800000000, -0.0006734900000000, 0.0001753600000000 ] - [ -0.0000156900000000, -0.0000567500000000, 0.0000622900000000 ] - [ -0.0041174000000000, 0.0047133900000000, -0.0038407000000000 ] - [ -0.0001749300000000, 0.0002842200000000, -0.0001870600000000 ] - [ -0.0000147400000000, 0.0000966700000000, 0.0003360700000000 ] - [ 0.0019926700000000, -0.0007865800000000, 0.0009834800000000 ] - [ -0.0001006000000000, -0.0000130900000000, -0.0001124900000000 ] - [ -0.0000049100000000, -0.0002875400000000, -0.0002879700000000 ] - [ -0.0000666000000000, -0.0001201300000000, 0.0000162600000000 ] - [ -0.0006299500000000, 0.0002529900000000, 0.0000000000000000 ] - [ -0.0000401700000000, 0.0000407600000000, -0.0005422900000000 ] - [ 0.0001477900000000, -0.0000045400000000, -0.0000254000000000 ] - [ -0.0000156900000000, -0.0000567500000000, -0.0000622900000000 ] - [ -0.0000049100000000, -0.0002875400000000, 0.0002879700000000 ] - [ -0.0001572800000000, 0.0002921500000000, 0.0000244500000000 ] - [ 0.0008092200000000, -0.0006894300000000, 0.0006982900000000 ] - [ -0.0000992600000000, 0.0000706900000000, 0.0001948700000000 ] - [ 0.0003326500000000, 0.0000060200000000, -0.0001738900000000 ] - [ 0.0000015000000000, -0.0001248800000000, -0.0002017800000000 ] - [ 0.0005609300000000, -0.0001599000000000, -0.0005075000000000 ] - [ 0.0001811800000000, -0.0001640300000000, -0.0000475100000000 ] - [ 0.0001263200000000, -0.0001052200000000, 0.0000215800000000 ] - [ 0.0001445500000000, 0.0001094900000000, 0.0003787800000000 ] - [ -0.0000875400000000, 0.0001150700000000, 0.0000058700000000 ] - [ 0.0001837500000000, 0.0000921200000000, -0.0000916100000000 ] - [ -0.0001922000000000, -0.0003020100000000, -0.0001994100000000 ] - [ 0.0082388300000000, -0.0046615400000000, -0.0110835100000000 ] - [ -0.0041174000000000, 0.0047133900000000, 0.0038407000000000 ] - [ -0.0001022200000000, -0.0000082500000000, 0.0000521200000000 ] - [ -0.0001022200000000, -0.0000082500000000, -0.0000521200000000 ] - [ -0.0000666000000000, -0.0001201300000000, -0.0000162600000000 ] - [ -0.0001103800000000, 0.0000539000000000, 0.0000322700000000 ] - [ 0.0000254000000000, 0.0001249000000000, -0.0002209400000000 ] - [ 0.0023349000000000, 0.0006662600000000, 0.0008711600000000 ] - [ 0.0001162800000000, -0.0000753100000000, -0.0001896800000000 ] - [ 0.0023349000000000, 0.0006662600000000, -0.0008711600000000 ] - [ 0.0001445500000000, 0.0001094900000000, -0.0003787800000000 ] - [ 0.0000847700000000, 0.0000834700000000, 0.0002193700000000 ] - [ 0.0024601900000000, -0.0020277900000000, 0.0000000000000000 ] - [ -0.0000842400000000, -0.0000502800000000, -0.0001913600000000 ] - [ -0.0000059000000000, -0.0000035100000000, 0.0000000000000000 ] - [ 0.0018132200000000, 0.0000368500000000, -0.0020742400000000 ] - [ 0.0000015000000000, -0.0001248800000000, 0.0002017800000000 ] - [ -0.0001103800000000, 0.0000539000000000, -0.0000322700000000 ] - [ -0.0000294700000000, 0.0001046200000000, 0.0000291900000000 ] - [ -0.0000624500000000, 0.0002789500000000, 0.0000203300000000 ] - [ 0.0003464300000000, 0.0010211900000000, -0.0006871000000000 ] - [ -0.0000875400000000, 0.0001150700000000, -0.0000058700000000 ]- atom: 98 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000298500000000, -0.0000568700000000, 0.0000000000000000 ] - [ -0.0009042400000000, 0.0034263000000000, 0.0000000000000000 ] - [ -0.0006374200000000, -0.0003562800000000, 0.0007062300000000 ] - [ -0.0000577700000000, 0.0000034000000000, 0.0000000000000000 ] - [ 0.0000281300000000, 0.0000538100000000, 0.0000000000000000 ] - [ 0.0084718900000000, -0.0021449000000000, 0.0000000000000000 ] - [ -0.0006374200000000, -0.0003562800000000, -0.0007062300000000 ] - [ 0.0000190900000000, 0.0000006200000000, 0.0001628300000000 ] - [ 0.0023726900000000, 0.0001893000000000, -0.0001682900000000 ] - [ -0.0000162400000000, -0.0000054300000000, -0.0004143400000000 ] - [ 0.0000267100000000, 0.0001130900000000, -0.0000245000000000 ] - [ -0.0233713600000000, 0.0093833100000000, 0.0317392500000000 ] - [ -0.0000162400000000, -0.0000054300000000, 0.0004143400000000 ] - [ 0.0001868700000000, 0.0000364400000000, 0.0001479300000000 ] - [ -0.0001819700000000, -0.0000050000000000, -0.0000618900000000 ] - [ 0.0000572900000000, 0.0000496200000000, -0.0000612200000000 ] - [ 0.0002986900000000, 0.0015949000000000, 0.0001911200000000 ] - [ -0.0003778500000000, -0.0001052000000000, 0.0000224700000000 ] - [ 0.0004115800000000, -0.0006564800000000, -0.0000427700000000 ] - [ -0.0000282500000000, 0.0003860700000000, 0.0009801100000000 ] - [ 0.0012893100000000, 0.0004293200000000, 0.0001022500000000 ] - [ -0.0001158300000000, -0.0002077100000000, -0.0000265400000000 ] - [ 0.0002986900000000, 0.0015949000000000, -0.0001911200000000 ] - [ -0.0019224200000000, -0.0008915700000000, 0.0000274300000000 ] - [ 0.0000893600000000, 0.0002290600000000, 0.0002789500000000 ] - [ -0.0001158300000000, -0.0002077100000000, 0.0000265400000000 ] - [ 0.0000190900000000, 0.0000006200000000, -0.0001628300000000 ] - [ 0.0000392000000000, 0.0002331100000000, 0.0000803800000000 ] - [ 0.0002364000000000, -0.0002545800000000, 0.0004974900000000 ] - [ -0.0000870200000000, -0.0000097500000000, 0.0000353500000000 ] - [ 0.0001868700000000, 0.0000364400000000, -0.0001479300000000 ] - [ 0.0000438000000000, -0.0004422400000000, 0.0001972700000000 ] - [ 0.0000365100000000, -0.0000527500000000, 0.0000255600000000 ] - [ 0.0005060400000000, -0.0009576400000000, -0.0022998400000000 ] - [ 0.0003392200000000, -0.0000083500000000, 0.0000622500000000 ] - [ 0.0034281900000000, -0.0055586800000000, -0.0001570400000000 ] - [ -0.0001723100000000, 0.0002067400000000, 0.0001038000000000 ] - [ 0.0000791500000000, -0.0001079800000000, 0.0001128400000000 ] - [ -0.0000063400000000, 0.0000113200000000, -0.0003530300000000 ] - [ 0.0000791500000000, -0.0001079800000000, -0.0001128400000000 ] - [ -0.0233713600000000, 0.0093833100000000, -0.0317392500000000 ] - [ -0.0000870200000000, -0.0000097500000000, -0.0000353500000000 ] - [ -0.0019224200000000, -0.0008915700000000, -0.0000274300000000 ] - [ 0.0000392000000000, 0.0002331100000000, -0.0000803800000000 ] - [ 0.0000365100000000, -0.0000527500000000, -0.0000255600000000 ] - [ -0.0000282500000000, 0.0003860700000000, -0.0009801100000000 ] - [ 0.0012893100000000, 0.0004293200000000, -0.0001022500000000 ] - [ 0.0023726900000000, 0.0001893000000000, 0.0001682900000000 ] - [ -0.0001819700000000, -0.0000050000000000, 0.0000618900000000 ] - [ -0.0000031000000000, 0.0000028000000000, -0.0001676800000000 ] - [ 0.0052319800000000, 0.0047205700000000, 0.0042585600000000 ] - [ 0.0022052700000000, 0.0040048000000000, -0.0043535900000000 ] - [ 0.0004397500000000, -0.0022778500000000, 0.0011576000000000 ] - [ -0.0003778500000000, -0.0001052000000000, -0.0000224700000000 ] - [ -0.0017428000000000, 0.0009843500000000, 0.0002924000000000 ] - [ -0.0000063400000000, 0.0000113200000000, 0.0003530300000000 ] - [ 0.0000572900000000, 0.0000496200000000, 0.0000612200000000 ] - [ 0.0000893600000000, 0.0002290600000000, -0.0002789500000000 ] - [ 0.0052319800000000, 0.0047205700000000, -0.0042585600000000 ] - [ 0.0000267100000000, 0.0001130900000000, 0.0000245000000000 ] - [ 0.0003392200000000, -0.0000083500000000, -0.0000622500000000 ] - [ 0.0002364000000000, -0.0002545800000000, -0.0004974900000000 ] - [ 0.0000438000000000, -0.0004422400000000, -0.0001972700000000 ] - [ 0.0022052700000000, 0.0040048000000000, 0.0043535900000000 ] - [ 0.0004397500000000, -0.0022778500000000, -0.0011576000000000 ] - [ 0.0004115800000000, -0.0006564800000000, 0.0000427700000000 ] - [ 0.0005060400000000, -0.0009576400000000, 0.0022998400000000 ] - [ 0.0034281900000000, -0.0055586800000000, 0.0001570400000000 ] - [ -0.0001723100000000, 0.0002067400000000, -0.0001038000000000 ] - [ -0.0017428000000000, 0.0009843500000000, -0.0002924000000000 ] - [ -0.0000031000000000, 0.0000028000000000, 0.0001676800000000 ] - [ -0.0001159500000000, 0.0000420200000000, -0.0002178100000000 ] - [ 0.0000287900000000, 0.0000150100000000, -0.0003854500000000 ] - [ -0.0006442100000000, 0.0005157300000000, 0.0008362300000000 ] - [ -0.0001585500000000, 0.0005227100000000, -0.0007271000000000 ] - [ -0.0002827000000000, -0.0008517600000000, -0.0003587300000000 ] - [ 0.0000117000000000, -0.0001071800000000, 0.0000328900000000 ] - [ 0.0051337900000000, 0.0026150600000000, 0.0059545300000000 ] - [ -0.0000168700000000, -0.0000750800000000, -0.0000463100000000 ] - [ -0.0059239700000000, -0.0023447800000000, 0.0000000000000000 ] - [ -0.0041140000000000, -0.0049736800000000, 0.0000000000000000 ] - [ 0.0009679500000000, -0.0001772900000000, -0.0001606500000000 ] - [ 0.0004141300000000, 0.0004403600000000, 0.0003059200000000 ] - [ 0.0001136700000000, 0.0000538800000000, -0.0001983000000000 ] - [ -0.0000058200000000, 0.0001158100000000, 0.0001968500000000 ] - [ 0.0000078200000000, -0.0001746700000000, 0.0003898600000000 ] - [ -0.0001308100000000, -0.0000568900000000, 0.0002244300000000 ] - [ -0.0002827000000000, -0.0008517600000000, 0.0003587300000000 ] - [ -0.0003636100000000, -0.0001726900000000, -0.0002881800000000 ] - [ 0.0003643300000000, -0.0000007100000000, 0.0001931700000000 ] - [ 0.0000748800000000, 0.0000093300000000, -0.0005332500000000 ] - [ -0.0004423300000000, 0.0001010600000000, 0.0004456800000000 ] - [ -0.0000860800000000, -0.0000418600000000, 0.0003283500000000 ] - [ 0.0001081700000000, -0.0001572300000000, 0.0007789300000000 ] - [ 0.0009679500000000, -0.0001772900000000, 0.0001606500000000 ] - [ 0.0001579600000000, -0.0002927100000000, -0.0002946800000000 ] - [ -0.0004423300000000, 0.0001010600000000, -0.0004456800000000 ] - [ 0.0385827500000000, -0.0227858600000000, 0.0000000000000000 ] - [ 0.0000633700000000, 0.0000941100000000, 0.0000627300000000 ] - [ -0.0001121400000000, 0.0000074300000000, -0.0001786600000000 ] - [ -0.0003288800000000, 0.0031092900000000, 0.0000000000000000 ] - [ 0.0000633700000000, 0.0000941100000000, -0.0000627300000000 ] - [ 0.0004168600000000, -0.0017555700000000, 0.0015222800000000 ] - [ 0.0000117000000000, -0.0001071800000000, -0.0000328900000000 ] - [ 0.0051337900000000, 0.0026150600000000, -0.0059545300000000 ] - [ 0.0001383500000000, 0.0000729000000000, -0.0000387500000000 ] - [ -0.0020443800000000, -0.0000880600000000, -0.0022221100000000 ] - [ -0.0003636100000000, -0.0001726900000000, 0.0002881800000000 ] - [ -0.0000837700000000, 0.0000915500000000, -0.0000216600000000 ] - [ 0.0001081700000000, -0.0001572300000000, -0.0007789300000000 ] - [ 0.0001109700000000, 0.0000031200000000, -0.0000115400000000 ] - [ -0.0019542600000000, 0.0007821700000000, 0.0004404000000000 ] - [ 0.0000287900000000, 0.0000150100000000, 0.0003854500000000 ] - [ 0.0004168600000000, -0.0017555700000000, -0.0015222800000000 ] - [ -0.0005704800000000, -0.0009734400000000, -0.0008212200000000 ] - [ -0.0005588200000000, 0.0001629000000000, -0.0001922600000000 ] - [ -0.0085854100000000, 0.0039142700000000, -0.0112697600000000 ] - [ -0.0000082000000000, -0.0000002500000000, 0.0000000000000000 ] - [ 0.0002790600000000, 0.0022460200000000, 0.0001192400000000 ] - [ 0.0002790600000000, 0.0022460200000000, -0.0001192400000000 ] - [ -0.0001690600000000, 0.0003218600000000, 0.0001802000000000 ] - [ 0.0000891200000000, -0.0000549700000000, 0.0002229500000000 ] - [ -0.0001550800000000, -0.0002990800000000, 0.0001649000000000 ] - [ -0.0001585500000000, 0.0005227100000000, 0.0007271000000000 ] - [ 0.0000018000000000, -0.0000044500000000, 0.0000000000000000 ] - [ -0.0000646400000000, 0.0001677700000000, 0.0003243300000000 ] - [ 0.0004141300000000, 0.0004403600000000, -0.0003059200000000 ] - [ -0.0000422800000000, 0.0000567500000000, -0.0001459000000000 ] - [ 0.0049653200000000, -0.0046963900000000, 0.0035018800000000 ] - [ -0.0001690600000000, 0.0003218600000000, -0.0001802000000000 ] - [ 0.0000748800000000, 0.0000093300000000, 0.0005332500000000 ] - [ -0.0019542600000000, 0.0007821700000000, -0.0004404000000000 ] - [ -0.0001121400000000, 0.0000074300000000, 0.0001786600000000 ] - [ -0.0000586500000000, 0.0001928100000000, -0.0000817700000000 ] - [ -0.0000644300000000, -0.0001067300000000, -0.0000031300000000 ] - [ 0.0003090200000000, -0.0007939400000000, 0.0000000000000000 ] - [ -0.0000860800000000, -0.0000418600000000, -0.0003283500000000 ] - [ 0.0001109700000000, 0.0000031200000000, 0.0000115400000000 ] - [ -0.0000422800000000, 0.0000567500000000, 0.0001459000000000 ] - [ -0.0000586500000000, 0.0001928100000000, 0.0000817700000000 ] - [ 0.0001579600000000, -0.0002927100000000, 0.0002946800000000 ] - [ -0.0006442100000000, 0.0005157300000000, -0.0008362300000000 ] - [ -0.0001159500000000, 0.0000420200000000, 0.0002178100000000 ] - [ 0.0003643300000000, -0.0000007100000000, -0.0001931700000000 ] - [ 0.0000132700000000, -0.0001154200000000, -0.0002140600000000 ] - [ -0.0005588200000000, 0.0001629000000000, 0.0001922600000000 ] - [ -0.0000646400000000, 0.0001677700000000, -0.0003243300000000 ] - [ -0.0000168700000000, -0.0000750800000000, 0.0000463100000000 ] - [ -0.0002930800000000, -0.0003633700000000, -0.0001127000000000 ] - [ -0.0000429800000000, 0.0001082900000000, -0.0000193300000000 ] - [ -0.0000837700000000, 0.0000915500000000, 0.0000216600000000 ] - [ -0.0001550800000000, -0.0002990800000000, -0.0001649000000000 ] - [ -0.0085854100000000, 0.0039142700000000, 0.0112697600000000 ] - [ 0.0049653200000000, -0.0046963900000000, -0.0035018800000000 ] - [ 0.0001312600000000, -0.0000412300000000, 0.0000326400000000 ] - [ 0.0001312600000000, -0.0000412300000000, -0.0000326400000000 ] - [ -0.0000644300000000, -0.0001067300000000, 0.0000031300000000 ] - [ -0.0001006000000000, -0.0000492000000000, 0.0000349900000000 ] - [ -0.0000058200000000, 0.0001158100000000, -0.0001968500000000 ] - [ -0.0022598200000000, -0.0004367200000000, -0.0007317000000000 ] - [ 0.0000891200000000, -0.0000549700000000, -0.0002229500000000 ] - [ -0.0022598200000000, -0.0004367200000000, 0.0007317000000000 ] - [ -0.0002930800000000, -0.0003633700000000, 0.0001127000000000 ] - [ 0.0001136700000000, 0.0000538800000000, 0.0001983000000000 ] - [ -0.0018073500000000, 0.0020250600000000, 0.0000000000000000 ] - [ -0.0001308100000000, -0.0000568900000000, -0.0002244300000000 ] - [ 0.0000046700000000, 0.0000017000000000, 0.0000000000000000 ] - [ -0.0020443800000000, -0.0000880600000000, 0.0022221100000000 ] - [ 0.0000132700000000, -0.0001154200000000, 0.0002140600000000 ] - [ -0.0001006000000000, -0.0000492000000000, -0.0000349900000000 ] - [ 0.0001383500000000, 0.0000729000000000, 0.0000387500000000 ] - [ 0.0000078200000000, -0.0001746700000000, -0.0003898600000000 ] - [ -0.0005704800000000, -0.0009734400000000, 0.0008212200000000 ] - [ -0.0000429800000000, 0.0001082900000000, 0.0000193300000000 ]- atom: 98 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000289400000000, -0.0000501200000000, -0.0027552800000000 ] - [ 0.0000019800000000, 0.0000116200000000, 0.0073950800000000 ] - [ -0.0005789400000000, 0.0010027600000000, -0.0021222200000000 ] - [ -0.0000586600000000, 0.0000002500000000, -0.0027606200000000 ] - [ 0.0000291200000000, 0.0000509300000000, -0.0027606200000000 ] - [ -0.0000110500000000, 0.0000041000000000, 0.0073950800000000 ] - [ 0.0005762600000000, -0.0009981200000000, -0.0025275300000000 ] - [ 0.0000350600000000, -0.0000065200000000, -0.0019015400000000 ] - [ 0.0003871100000000, 0.0001408200000000, -0.0005885000000000 ] - [ -0.0000176900000000, 0.0000306400000000, -0.0024875200000000 ] - [ 0.0002335500000000, 0.0003746100000000, -0.0019602500000000 ] - [ -0.0317194200000000, 0.0549396500000000, 0.2002626200000000 ] - [ 0.0000183800000000, -0.0000318400000000, -0.0016434200000000 ] - [ 0.0003798700000000, -0.0000612800000000, -0.0013583800000000 ] - [ 0.0001942600000000, -0.0000126800000000, -0.0020400800000000 ] - [ -0.0000103700000000, -0.0000081000000000, -0.0017934900000000 ] - [ -0.0003155100000000, -0.0002648400000000, -0.0005885000000000 ] - [ 0.0000034100000000, -0.0000059000000000, -0.0038118700000000 ] - [ -0.0002349900000000, -0.0004217800000000, -0.0002441800000000 ] - [ -0.0011239900000000, -0.0001466900000000, -0.0014466000000000 ] - [ 0.0000423300000000, 0.0000768000000000, -0.0000554600000000 ] - [ -0.0001318900000000, -0.0001666100000000, -0.0017770100000000 ] - [ 0.0001143700000000, 0.0007474400000000, -0.0003986900000000 ] - [ -0.0035155700000000, -0.0073617800000000, -0.0044174000000000 ] - [ -0.0000332900000000, 0.0002377100000000, -0.0011957700000000 ] - [ -0.0001470900000000, -0.0003168700000000, -0.0016786400000000 ] - [ -0.0000357400000000, 0.0000031700000000, -0.0022393000000000 ] - [ -0.0008438500000000, -0.0008969500000000, -0.0021020700000000 ] - [ -0.0001892100000000, 0.0001476900000000, -0.0011957700000000 ] - [ -0.0002525000000000, 0.0000213200000000, -0.0017122700000000 ] - [ -0.0003788100000000, 0.0000633200000000, -0.0019848300000000 ] - [ 0.0006383100000000, -0.0011055800000000, -0.0011038000000000 ] - [ 0.0001478600000000, -0.0001933700000000, -0.0017463300000000 ] - [ 0.0081332800000000, -0.0006363200000000, -0.0044174000000000 ] - [ 0.0003479600000000, -0.0000310500000000, -0.0016786400000000 ] - [ 0.0043669400000000, -0.0049178900000000, 0.0059560400000000 ] - [ -0.0002889200000000, 0.0005004200000000, -0.0018927500000000 ] - [ 0.0000935300000000, -0.0002247300000000, -0.0017463300000000 ] - [ 0.0001345700000000, 0.0003597200000000, -0.0019848300000000 ] - [ 0.0000069500000000, 0.0000026600000000, -0.0018271300000000 ] - [ 0.0340732800000000, -0.0590166500000000, 0.2111713300000000 ] - [ 0.0000122000000000, 0.0000049300000000, -0.0017934900000000 ] - [ 0.0040077300000000, 0.0072498100000000, -0.0042064200000000 ] - [ 0.0006890400000000, 0.0009000600000000, -0.0014466000000000 ] - [ -0.0000057700000000, -0.0000046900000000, -0.0018271300000000 ] - [ 0.0011987000000000, 0.0002823300000000, -0.0021020700000000 ] - [ 0.0004827700000000, -0.0000073800000000, -0.0002441800000000 ] - [ -0.0007044800000000, 0.0002746700000000, -0.0003986900000000 ] - [ -0.0004412000000000, -0.0000149500000000, -0.0019602500000000 ] - [ 0.0000151300000000, 0.0000325400000000, -0.0022393000000000 ] - [ -0.0065448100000000, -0.0047794800000000, 0.0051031400000000 ] - [ 0.0074115600000000, 0.0032782400000000, 0.0051031400000000 ] - [ -0.0008876800000000, 0.0015375000000000, 0.0044763900000000 ] - [ 0.0000629800000000, -0.0001090800000000, -0.0031974900000000 ] - [ -0.0021014400000000, 0.0061985500000000, 0.0055490300000000 ] - [ -0.0001368700000000, -0.0003596100000000, -0.0013583800000000 ] - [ 0.0001077900000000, 0.0002293300000000, -0.0017122700000000 ] - [ 0.0001007900000000, -0.0001209500000000, -0.0018246800000000 ] - [ 0.0066325800000000, 0.0049433800000000, 0.0044944400000000 ] - [ -0.0000861500000000, -0.0001745700000000, -0.0020400800000000 ] - [ 0.0002102300000000, 0.0000309100000000, -0.0017770100000000 ] - [ 0.0000543500000000, -0.0001477600000000, -0.0018246800000000 ] - [ -0.0005548700000000, 0.0009610700000000, -0.0017589500000000 ] - [ -0.0075973800000000, -0.0032722900000000, 0.0044944400000000 ] - [ 0.0009871600000000, -0.0017098200000000, 0.0050688400000000 ] - [ -0.0000876800000000, 0.0000017400000000, -0.0000554600000000 ] - [ -0.0082823900000000, 0.0001541100000000, -0.0042064200000000 ] - [ -0.0043173800000000, 0.0049191700000000, 0.0055490300000000 ] - [ 0.0000098900000000, -0.0000171400000000, -0.0019939100000000 ] - [ 0.0020755400000000, -0.0062408300000000, 0.0059560400000000 ] - [ -0.0000118800000000, -0.0000336200000000, -0.0019015400000000 ] - [ -0.0000268400000000, 0.0001845100000000, 0.0011289800000000 ] - [ -0.0000916000000000, 0.0001586500000000, 0.0011018400000000 ] - [ -0.0017834000000000, 0.0013001000000000, -0.0013901200000000 ] - [ 0.0013776400000000, -0.0023861400000000, 0.0033096600000000 ] - [ -0.0004080400000000, 0.0009612700000000, -0.0010921900000000 ] - [ 0.0000301000000000, -0.0000195600000000, 0.0011394300000000 ] - [ -0.0053378300000000, 0.0092453900000000, 0.0249954100000000 ] - [ 0.0001081500000000, -0.0001451700000000, 0.0010739900000000 ] - [ 0.0000898900000000, 0.0001858100000000, -0.0072234600000000 ] - [ -0.0002058600000000, 0.0000150600000000, -0.0072234600000000 ] - [ -0.0015748200000000, -0.0001330900000000, 0.0025050600000000 ] - [ -0.0002342200000000, 0.0021945200000000, -0.0013901200000000 ] - [ 0.0001179800000000, -0.0000654800000000, 0.0011576300000000 ] - [ 0.0001606800000000, 0.0001263100000000, 0.0015428000000000 ] - [ -0.0001381200000000, -0.0004658000000000, 0.0010010100000000 ] - [ -0.0002145700000000, 0.0000289800000000, 0.0015732500000000 ] - [ 0.0003907000000000, -0.0009918700000000, -0.0005586700000000 ] - [ 0.0003961000000000, 0.0002670800000000, 0.0004744100000000 ] - [ 0.0004857100000000, -0.0000499900000000, 0.0015502400000000 ] - [ 0.0002736700000000, 0.0000396600000000, 0.0011829100000000 ] - [ -0.0005313100000000, 0.0002121400000000, 0.0006335300000000 ] - [ 0.0000459600000000, 0.0002149100000000, 0.0020527000000000 ] - [ -0.0009607600000000, -0.0014103200000000, 0.0028849000000000 ] - [ 0.0017017500000000, 0.0001268900000000, 0.0028849000000000 ] - [ 0.0001032400000000, 0.0005761200000000, 0.0004810400000000 ] - [ 0.0004724600000000, -0.0001132900000000, 0.0010010100000000 ] - [ -0.0025320300000000, 0.0043856000000000, -0.4853353500000000 ] - [ 0.0001030400000000, 0.0002446600000000, 0.0013671000000000 ] - [ 0.0000453100000000, -0.0000426800000000, 0.0015127500000000 ] - [ 0.0001180100000000, -0.0002044000000000, -0.0059444000000000 ] - [ -0.0000741600000000, -0.0001939400000000, 0.0012809400000000 ] - [ -0.0022075800000000, -0.0024760800000000, -0.0005190100000000 ] - [ 0.0000716400000000, -0.0001662400000000, 0.0010739900000000 ] - [ 0.0052469500000000, -0.0090879900000000, 0.0240725800000000 ] - [ 0.0000143000000000, -0.0000605800000000, 0.0015127500000000 ] - [ 0.0032481400000000, 0.0006737800000000, -0.0005190100000000 ] - [ -0.0001019100000000, -0.0002677900000000, 0.0007360100000000 ] - [ 0.0000220600000000, 0.0000216600000000, 0.0011915700000000 ] - [ 0.0009026600000000, 0.0012972900000000, 0.0025050600000000 ] - [ 0.0001699900000000, -0.0000053900000000, 0.0010785500000000 ] - [ -0.0006284600000000, 0.0008340100000000, -0.0010921900000000 ] - [ 0.0001539700000000, -0.0002666800000000, 0.0019712600000000 ] - [ 0.0023793700000000, 0.0026603200000000, -0.0004005900000000 ] - [ 0.0009105800000000, 0.0003179400000000, -0.0013680100000000 ] - [ 0.0005455900000000, -0.0001984500000000, 0.0008050900000000 ] - [ 0.0139625400000000, -0.0050288400000000, 0.0048873200000000 ] - [ 0.0000000400000000, -0.0000002100000000, 0.0020108600000000 ] - [ -0.0012929100000000, 0.0022393900000000, -0.0018853200000000 ] - [ 0.0008898500000000, -0.0015412700000000, -0.0022091700000000 ] - [ -0.0002517400000000, 0.0004360200000000, 0.0015243800000000 ] - [ -0.0000034500000000, -0.0001413200000000, 0.0015609900000000 ] - [ -0.0001995700000000, -0.0004456300000000, 0.0015502400000000 ] - [ -0.0015358900000000, 0.0026602400000000, 0.0035955900000000 ] - [ 0.0000001600000000, -0.0000001400000000, 0.0020108600000000 ] - [ -0.0001647800000000, 0.0001333200000000, 0.0007372700000000 ] - [ 0.0003074600000000, -0.0024049700000000, -0.0015087200000000 ] - [ 0.0002050400000000, -0.0000327500000000, 0.0012809400000000 ] - [ -0.0026261700000000, -0.0146063400000000, 0.0048873200000000 ] - [ -0.0000968500000000, 0.0001677500000000, 0.0011586900000000 ] - [ -0.0002091000000000, 0.0000676500000000, 0.0020527000000000 ] - [ 0.0006636300000000, -0.0008342900000000, -0.0005586700000000 ] - [ -0.0002576300000000, 0.0000366900000000, 0.0015818200000000 ] - [ -0.0000282100000000, -0.0003026900000000, 0.0003698700000000 ] - [ -0.0000803200000000, -0.0001499100000000, 0.0010785500000000 ] - [ -0.0001624300000000, -0.0002780100000000, -0.0060707900000000 ] - [ -0.0001711800000000, -0.0002171800000000, 0.0011829100000000 ] - [ 0.0000902400000000, 0.0000048800000000, 0.0010672800000000 ] - [ -0.0002634100000000, 0.0000330900000000, 0.0013671000000000 ] - [ -0.0000330700000000, 0.0002093600000000, 0.0007372700000000 ] - [ -0.0001009400000000, -0.0005717200000000, 0.0008050900000000 ] - [ 0.0019290300000000, -0.0014687600000000, -0.0015087200000000 ] - [ -0.0001897300000000, -0.0000759900000000, 0.0015428000000000 ] - [ 0.0002095500000000, 0.0000523700000000, 0.0011859500000000 ] - [ -0.0001123700000000, -0.0001731900000000, 0.0011478100000000 ] - [ -0.0005505500000000, 0.0001986500000000, 0.0004810400000000 ] - [ 0.0002762400000000, -0.0001269200000000, 0.0003698700000000 ] - [ 0.0000018900000000, -0.0000358500000000, 0.0011394300000000 ] - [ 0.0002828700000000, -0.0000456400000000, 0.0007360100000000 ] - [ -0.0000427400000000, 0.0000740300000000, 0.0011877800000000 ] - [ 0.0000778700000000, 0.0001625800000000, 0.0011254900000000 ] - [ -0.0001501300000000, -0.0001552900000000, 0.0011859500000000 ] - [ -0.0142888100000000, 0.0042896400000000, 0.0052151200000000 ] - [ 0.0034294700000000, 0.0145193000000000, 0.0052151200000000 ] - [ 0.0000366400000000, -0.0000634600000000, 0.0017315400000000 ] - [ -0.0000077000000000, 0.0000133400000000, 0.0016483100000000 ] - [ -0.0000493500000000, -0.0000757100000000, 0.0010672800000000 ] - [ -0.0000297900000000, -0.0000082700000000, 0.0011915700000000 ] - [ -0.0001463700000000, 0.0001155000000000, 0.0011289800000000 ] - [ 0.0008018600000000, 0.0008568200000000, -0.0012482500000000 ] - [ 0.0002061700000000, 0.0000107200000000, 0.0011478100000000 ] - [ -0.0007306400000000, -0.0006296200000000, -0.0013680100000000 ] - [ -0.0004293500000000, -0.0002095000000000, 0.0004744100000000 ] - [ 0.0000821900000000, 0.0002003100000000, 0.0015732500000000 ] - [ 0.0003219800000000, 0.0000016600000000, -0.0060707900000000 ] - [ -0.0000022800000000, -0.0001349100000000, 0.0011576300000000 ] - [ 0.0000002100000000, -0.0000003700000000, 0.0019886100000000 ] - [ -0.0034936000000000, -0.0007304400000000, -0.0004005900000000 ] - [ 0.0001241100000000, -0.0000676700000000, 0.0015609900000000 ] - [ -0.0001797400000000, 0.0000138500000000, 0.0011254900000000 ] - [ 0.0000970400000000, 0.0002414600000000, 0.0015818200000000 ] - [ 0.0000819400000000, 0.0005662000000000, 0.0006335300000000 ] - [ -0.0011429600000000, -0.0002660200000000, -0.0012482500000000 ] - [ -0.0000866800000000, 0.0001501300000000, 0.0012003200000000 ]- atom: 99 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000795000000000, 0.0007379600000000, 0.0018371500000000 ] - [ -0.0001207000000000, -0.0000998600000000, 0.0001690900000000 ] - [ 0.0000125100000000, -0.0000042000000000, 0.0001533200000000 ] - [ -0.0001751300000000, 0.0003912200000000, -0.0013780600000000 ] - [ -0.0001216900000000, -0.0006610400000000, -0.0004448000000000 ] - [ 0.0000456300000000, 0.0001062000000000, -0.0001407400000000 ] - [ 0.0054900500000000, -0.0002086800000000, 0.0014362000000000 ] - [ 0.0000703400000000, 0.0001600800000000, 0.0000217600000000 ] - [ -0.0001707900000000, 0.0002119300000000, -0.0001645900000000 ] - [ 0.0001226700000000, -0.0000823300000000, -0.0001201200000000 ] - [ 0.0001348900000000, 0.0001600000000000, -0.0000700000000000 ] - [ 0.0003403100000000, 0.0000084300000000, -0.0001094600000000 ] - [ 0.0050834600000000, -0.0044571100000000, 0.0031776100000000 ] - [ 0.0000130600000000, 0.0000242800000000, 0.0002544300000000 ] - [ -0.0007647900000000, -0.0017273500000000, 0.0000355500000000 ] - [ -0.0084370200000000, -0.0024356400000000, 0.0020333600000000 ] - [ -0.0000916300000000, 0.0002326200000000, -0.0001490300000000 ] - [ -0.0000433900000000, 0.0006535500000000, 0.0001807300000000 ] - [ -0.0001837300000000, -0.0002052400000000, -0.0001507800000000 ] - [ 0.0000413300000000, 0.0000635300000000, 0.0002620900000000 ] - [ 0.0031959100000000, 0.0018246200000000, -0.0013674100000000 ] - [ -0.0001133100000000, -0.0002690000000000, -0.0001817400000000 ] - [ -0.0007450800000000, -0.0027335200000000, 0.0033359600000000 ] - [ 0.0002430400000000, -0.0000376400000000, -0.0001538200000000 ] - [ 0.0000573500000000, 0.0000543400000000, 0.0002436800000000 ] - [ 0.0031863900000000, -0.0075725200000000, -0.0018950100000000 ] - [ 0.0006702300000000, 0.0011837500000000, 0.0000002900000000 ] - [ -0.0029412000000000, 0.0048892500000000, 0.0048918000000000 ] - [ -0.0000873100000000, -0.0000083500000000, 0.0002597400000000 ] - [ 0.0000638000000000, 0.0000323200000000, 0.0000821400000000 ] - [ -0.0003544800000000, 0.0025048200000000, 0.0001013600000000 ] - [ 0.0000385200000000, -0.0000694900000000, 0.0003025400000000 ] - [ 0.0001454800000000, -0.0000863800000000, -0.0001153500000000 ] - [ -0.0001025400000000, -0.0002240000000000, -0.0001626600000000 ] - [ -0.0054140200000000, 0.0008449800000000, -0.0023221600000000 ] - [ -0.0003688000000000, -0.0000820600000000, -0.0001975600000000 ] - [ -0.0031931600000000, 0.0054363600000000, 0.0028737700000000 ] - [ 0.0000223000000000, -0.0001812200000000, -0.0000148900000000 ] - [ -0.0100759500000000, 0.0006539500000000, 0.0025822800000000 ] - [ -0.0011006400000000, -0.0031258200000000, 0.0009626700000000 ] - [ 0.0000114500000000, 0.0000310200000000, -0.0002879400000000 ] - [ 0.0271843000000000, -0.0078233400000000, -0.0068744500000000 ] - [ -0.0007875700000000, -0.0009219400000000, 0.0001885200000000 ] - [ -0.0000840600000000, 0.0000029700000000, 0.0002534700000000 ] - [ 0.0396536000000000, 0.0001399300000000, 0.0145737900000000 ] - [ -0.0000966900000000, -0.0026713700000000, 0.0007756900000000 ] - [ 0.0002747700000000, 0.0000291100000000, -0.0001657800000000 ] - [ -0.0006919400000000, 0.0008002100000000, 0.0001187300000000 ] - [ -0.0001623500000000, -0.0000587700000000, -0.0000299700000000 ] - [ -0.0032653500000000, -0.0005942100000000, -0.0014914700000000 ] - [ 0.0000546600000000, 0.0000499500000000, 0.0002229000000000 ] - [ -0.0000691100000000, 0.0000131200000000, 0.0003142800000000 ] - [ -0.0004343200000000, -0.0001242500000000, -0.0008452000000000 ] - [ 0.0000296800000000, -0.0000481500000000, 0.0002587800000000 ] - [ 0.0000285100000000, -0.0000218600000000, -0.0002723700000000 ] - [ -0.0000382700000000, -0.0000030700000000, 0.0002485200000000 ] - [ -0.0000431500000000, 0.0000508500000000, 0.0001155900000000 ] - [ 0.0356320600000000, 0.0188983100000000, -0.0190343100000000 ] - [ 0.0000096600000000, -0.0004137400000000, -0.0002102600000000 ] - [ 0.0019877000000000, 0.0051803700000000, -0.0013973100000000 ] - [ 0.0001610800000000, 0.0000122100000000, -0.0001893800000000 ] - [ -0.0040937600000000, -0.0005531900000000, -0.0010268800000000 ] - [ -0.0050347900000000, 0.0027820700000000, -0.0069136800000000 ] - [ 0.0000900100000000, 0.0006602200000000, 0.0003637200000000 ] - [ 0.0000421800000000, -0.0000831100000000, 0.0001412700000000 ] - [ -0.0025906200000000, 0.0000308700000000, -0.0000115500000000 ] - [ -0.0003881300000000, 0.0010376500000000, 0.0001611500000000 ] - [ 0.0000253100000000, -0.0000057300000000, -0.0003403500000000 ] - [ -0.0002056400000000, 0.0003271300000000, 0.0000156500000000 ] - [ 0.0007594700000000, 0.0000532200000000, 0.0001484700000000 ] - [ -0.0002298400000000, -0.0000417400000000, -0.0001842300000000 ] - [ 0.0026189400000000, -0.0001630500000000, 0.0024366600000000 ] - [ 0.0000407200000000, -0.0000649600000000, -0.0004586900000000 ] - [ 0.0000687100000000, -0.0001022600000000, 0.0001262800000000 ] - [ 0.0010792600000000, -0.0011227200000000, 0.0005486600000000 ] - [ -0.0015822200000000, 0.0006036400000000, -0.0006239800000000 ] - [ 0.0000946800000000, -0.0000796000000000, 0.0000671500000000 ] - [ -0.0000102800000000, 0.0000230100000000, 0.0003144800000000 ] - [ -0.0075289600000000, -0.0039314900000000, -0.0007727900000000 ] - [ 0.0000903400000000, 0.0002868600000000, 0.0000286800000000 ] - [ -0.0002524800000000, -0.0001226900000000, -0.0001569200000000 ] - [ 0.0003730700000000, 0.0013821000000000, -0.0005218800000000 ] - [ 0.0000796700000000, -0.0001125000000000, 0.0001069100000000 ] - [ 0.0014161900000000, 0.0016880100000000, 0.0012821000000000 ] - [ -0.0000146300000000, 0.0001354100000000, 0.0003083000000000 ] - [ -0.0000307100000000, 0.0000562200000000, 0.0002242000000000 ] - [ -0.0000671200000000, -0.0001559800000000, 0.0003955800000000 ] - [ -0.0000255200000000, -0.0000174100000000, 0.0003070100000000 ] - [ 0.0021726000000000, -0.0005146200000000, -0.0009506100000000 ] - [ 0.0001433900000000, -0.0000142000000000, 0.0002522800000000 ] - [ 0.0000343700000000, 0.0000757600000000, -0.0003744100000000 ] - [ 0.0007413700000000, 0.0008248700000000, 0.0000728900000000 ] - [ 0.0119327200000000, -0.0105240900000000, 0.0016837500000000 ] - [ -0.0000215000000000, -0.0000631200000000, 0.0002228800000000 ] - [ 0.0000633000000000, -0.0000062800000000, 0.0002219000000000 ] - [ 0.0000107700000000, 0.0000028200000000, -0.0001185700000000 ] - [ -0.0000332200000000, 0.0000516300000000, 0.0002255300000000 ] - [ -0.0002095000000000, 0.0002618600000000, 0.0000885100000000 ] - [ -0.1541083900000000, -0.0109909900000000, 0.0098877800000000 ] - [ 0.0001066900000000, -0.0025889700000000, -0.0002204400000000 ] - [ 0.0002119500000000, -0.0001853800000000, 0.0002155300000000 ] - [ -0.0000372800000000, 0.0000147800000000, 0.0000073900000000 ] - [ 0.0001698500000000, 0.0005490000000000, -0.0004479700000000 ] - [ 0.0047499500000000, -0.0005554000000000, 0.0000198200000000 ] - [ 0.0000526900000000, -0.0002039400000000, -0.0001872000000000 ] - [ 0.0048301800000000, 0.0004150100000000, 0.0000176500000000 ] - [ -0.0000313000000000, -0.0004423400000000, -0.0001609900000000 ] - [ 0.0001596800000000, -0.0000000400000000, 0.0001734000000000 ] - [ 0.0000712400000000, 0.0001053200000000, 0.0000880000000000 ] - [ -0.0008878700000000, -0.0018217800000000, -0.0010655800000000 ] - [ 0.0002182700000000, 0.0000456900000000, 0.0000082100000000 ] - [ 0.0006268500000000, 0.0000926700000000, -0.0002328100000000 ] - [ 0.0173519500000000, -0.0101924500000000, -0.0012749800000000 ] - [ 0.0000686300000000, 0.0001097600000000, 0.0000856400000000 ] - [ 0.0007000300000000, -0.0001693300000000, -0.0015397700000000 ] - [ -0.0000654500000000, -0.0010917400000000, 0.0002018600000000 ] - [ -0.0002083600000000, -0.0003339400000000, -0.0001165500000000 ] - [ -0.0001874100000000, -0.0003369100000000, 0.0000909500000000 ] - [ -0.0001956400000000, 0.0003402800000000, 0.0006227100000000 ] - [ -0.0002274500000000, 0.0003495200000000, -0.0001081300000000 ] - [ -0.0002466400000000, 0.0003747500000000, -0.0000188200000000 ] - [ -0.0000481400000000, -0.0002416100000000, 0.0000298800000000 ] - [ -0.0001175800000000, -0.0001873500000000, 0.0001872600000000 ] - [ -0.0000696500000000, 0.0001249700000000, 0.0001685200000000 ] - [ 0.0007621100000000, 0.0001373200000000, 0.0004978800000000 ] - [ 0.0000470600000000, 0.0000071900000000, 0.0002198100000000 ] - [ 0.0007678000000000, -0.0001179600000000, -0.0001007800000000 ] - [ -0.0000075500000000, 0.0000259600000000, -0.0000299900000000 ] - [ 0.0003714700000000, -0.0000103700000000, -0.0001413600000000 ] - [ 0.0059307900000000, 0.0022956200000000, -0.0133355100000000 ] - [ -0.0005308600000000, 0.0028658900000000, 0.0003757700000000 ] - [ 0.0000476500000000, -0.0000012300000000, 0.0003259400000000 ] - [ -0.0001016300000000, -0.0000424300000000, 0.0000629400000000 ] - [ 0.0025763400000000, 0.0005285100000000, 0.0012523300000000 ] - [ -0.0001650600000000, -0.0001147200000000, 0.0001415500000000 ] - [ -0.0002759500000000, -0.0002928000000000, 0.0000220400000000 ] - [ -0.0000760400000000, -0.0000102200000000, -0.0003473000000000 ] - [ 0.0024489900000000, 0.0005687000000000, -0.0003597600000000 ] - [ 0.0052055900000000, 0.0038735400000000, -0.0001131900000000 ] - [ -0.0000284000000000, -0.0000411000000000, 0.0002142500000000 ] - [ 0.0022061400000000, 0.0004406200000000, -0.0014689800000000 ] - [ 0.0003705400000000, -0.0006759200000000, 0.0009680200000000 ] - [ -0.0000528500000000, 0.0000917100000000, 0.0004340400000000 ] - [ -0.0030982200000000, -0.0027260100000000, 0.0039701800000000 ] - [ 0.0031134100000000, -0.0005464800000000, -0.0017437200000000 ] - [ -0.0000009000000000, -0.0000049700000000, -0.0001128000000000 ] - [ -0.0015259700000000, -0.0068064500000000, 0.0099935800000000 ] - [ 0.0000093800000000, -0.0000806500000000, 0.0000732900000000 ] - [ -0.0000827800000000, -0.0001249300000000, 0.0001748000000000 ] - [ 0.0002343600000000, -0.0005158400000000, -0.0002108800000000 ] - [ 0.0029068500000000, -0.0003782700000000, -0.0001738000000000 ] - [ -0.0006156500000000, 0.0013648100000000, -0.0004561600000000 ] - [ -0.0000811800000000, -0.0000198500000000, 0.0005488700000000 ] - [ -0.0001522000000000, -0.0002707100000000, 0.0000644600000000 ] - [ -0.0017154900000000, 0.0001261000000000, -0.0005747900000000 ] - [ 0.0000092100000000, -0.0000353300000000, 0.0000005100000000 ] - [ -0.0046534000000000, 0.0069400800000000, 0.0113376500000000 ] - [ -0.0001090500000000, 0.0000118600000000, 0.0001143600000000 ] - [ -0.0002816900000000, 0.0010146500000000, -0.0005307400000000 ] - [ 0.0000363700000000, 0.0001187600000000, 0.0001139900000000 ] - [ -0.0010791700000000, -0.0025316800000000, -0.0021183200000000 ] - [ -0.0001148100000000, 0.0003402500000000, -0.0001042700000000 ] - [ -0.0018921400000000, 0.0016550000000000, -0.0017611600000000 ] - [ 0.0001221900000000, 0.0001170800000000, 0.0003438200000000 ] - [ 0.0004159900000000, 0.0000139100000000, 0.0001451900000000 ] - [ 0.0007183500000000, -0.0017516400000000, 0.0011470600000000 ] - [ -0.0010894000000000, 0.0007488900000000, -0.0006760300000000 ] - [ -0.0001097300000000, -0.0000447200000000, 0.0000869200000000 ] - [ 0.0002680600000000, -0.0001037800000000, 0.0001037200000000 ] - [ 0.0285332800000000, 0.0192426700000000, -0.0016708200000000 ] - [ 0.0000808700000000, 0.0000690500000000, 0.0000619500000000 ] - [ 0.0047273500000000, 0.0003499900000000, -0.0129199200000000 ] - [ -0.0001160200000000, 0.0000233700000000, 0.0000706400000000 ] - [ -0.0000459800000000, 0.0000622400000000, 0.0000326900000000 ]- atom: 99 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001438600000000, -0.0008357000000000, -0.0018329100000000 ] - [ 0.0001211900000000, 0.0001002400000000, -0.0001707200000000 ] - [ -0.0000121600000000, 0.0000045100000000, 0.0002501600000000 ] - [ 0.0000531400000000, -0.0003883500000000, 0.0013754900000000 ] - [ 0.0001765500000000, 0.0007593700000000, 0.0004419900000000 ] - [ -0.0000456500000000, -0.0001064800000000, 0.0001411100000000 ] - [ -0.0054900500000000, 0.0002555700000000, -0.0018249000000000 ] - [ -0.0000764600000000, -0.0001616200000000, 0.0003141400000000 ] - [ -0.0001498000000000, 0.0002036900000000, -0.0000335900000000 ] - [ -0.0001237200000000, 0.0000794300000000, -0.0007251500000000 ] - [ 0.0000135200000000, 0.0000366800000000, 0.0001505600000000 ] - [ -0.0003581700000000, 0.0000342200000000, 0.0005345500000000 ] - [ -0.0050586600000000, 0.0044504200000000, -0.0023278500000000 ] - [ -0.0000108100000000, -0.0000190400000000, 0.0003707500000000 ] - [ 0.0005167300000000, 0.0017154200000000, -0.0001050300000000 ] - [ 0.0085152800000000, 0.0026468800000000, -0.0020797800000000 ] - [ -0.0001098000000000, 0.0002526300000000, -0.0000486300000000 ] - [ 0.0001117600000000, -0.0007581600000000, -0.0008127900000000 ] - [ -0.0001359400000000, -0.0002122600000000, -0.0000458100000000 ] - [ 0.0000375500000000, 0.0000727600000000, 0.0003899200000000 ] - [ -0.0026888900000000, -0.0017697600000000, 0.0015837900000000 ] - [ -0.0001652700000000, -0.0002134900000000, 0.0000822500000000 ] - [ 0.0005343800000000, 0.0032224900000000, -0.0031404200000000 ] - [ 0.0002774400000000, -0.0000323100000000, -0.0000443800000000 ] - [ 0.0000100900000000, 0.0000618900000000, 0.0003820600000000 ] - [ -0.0035534800000000, 0.0070734600000000, 0.0020318000000000 ] - [ -0.0006628100000000, -0.0011980600000000, -0.0003431900000000 ] - [ 0.0027845800000000, -0.0049004000000000, -0.0055870200000000 ] - [ -0.0000473500000000, 0.0000092100000000, 0.0003662600000000 ] - [ -0.0003006400000000, -0.0000098300000000, -0.0000026300000000 ] - [ 0.0004002200000000, -0.0025484700000000, -0.0007123800000000 ] - [ 0.0000364800000000, -0.0000711200000000, 0.0003511600000000 ] - [ -0.0000070600000000, -0.0001080600000000, 0.0001943900000000 ] - [ -0.0000988200000000, -0.0002617600000000, -0.0000338700000000 ] - [ 0.0059901500000000, -0.0008543000000000, 0.0024441700000000 ] - [ 0.0004162300000000, 0.0000891800000000, 0.0006247200000000 ] - [ 0.0029207300000000, -0.0049247300000000, -0.0027427600000000 ] - [ 0.0000800000000000, -0.0000472000000000, 0.0000945300000000 ] - [ 0.0101013000000000, -0.0006631900000000, -0.0032283800000000 ] - [ 0.0011941600000000, 0.0028757800000000, -0.0010263800000000 ] - [ -0.0000277600000000, 0.0000115700000000, -0.0001396300000000 ] - [ -0.0270594000000000, 0.0071187300000000, 0.0060255000000000 ] - [ 0.0013093600000000, 0.0008553000000000, 0.0000032700000000 ] - [ -0.0000749900000000, -0.0000084800000000, 0.0004000700000000 ] - [ -0.0417585000000000, 0.0000206500000000, -0.0167632700000000 ] - [ 0.0001594900000000, 0.0028142000000000, -0.0014358900000000 ] - [ 0.0002463000000000, 0.0000390600000000, -0.0000317500000000 ] - [ 0.0003707400000000, -0.0003925500000000, 0.0000796800000000 ] - [ -0.0000862400000000, 0.0000333400000000, 0.0001096800000000 ] - [ 0.0032548000000000, 0.0005931800000000, 0.0011680100000000 ] - [ 0.0000404000000000, 0.0001146700000000, 0.0003439500000000 ] - [ -0.0001220100000000, -0.0000126900000000, 0.0002518600000000 ] - [ 0.0005356500000000, -0.0000394300000000, 0.0002797500000000 ] - [ 0.0000386100000000, -0.0000681100000000, 0.0003672300000000 ] - [ -0.0000483800000000, -0.0000125600000000, -0.0001522200000000 ] - [ 0.0000417400000000, 0.0000074300000000, 0.0003764500000000 ] - [ 0.0001394500000000, 0.0001751400000000, -0.0000342500000000 ] - [ -0.0355205000000000, -0.0192712800000000, 0.0189312700000000 ] - [ 0.0000845800000000, 0.0005801100000000, -0.0003572500000000 ] - [ -0.0018648400000000, -0.0049877400000000, 0.0013430500000000 ] - [ 0.0003971000000000, -0.0000129900000000, 0.0000886000000000 ] - [ 0.0039530600000000, 0.0005411000000000, 0.0003836000000000 ] - [ 0.0051291100000000, -0.0028937600000000, 0.0061936500000000 ] - [ -0.0002809600000000, -0.0006613200000000, -0.0009330900000000 ] - [ 0.0000540600000000, -0.0000821200000000, 0.0004254000000000 ] - [ 0.0022725000000000, -0.0004508400000000, 0.0001999300000000 ] - [ 0.0001961800000000, -0.0015267800000000, 0.0000332400000000 ] - [ 0.0000198500000000, 0.0000128800000000, -0.0000870100000000 ] - [ -0.0000738600000000, 0.0001566500000000, -0.0001156400000000 ] - [ -0.0007823200000000, -0.0000868800000000, 0.0002767200000000 ] - [ 0.0002304600000000, 0.0000347700000000, 0.0005227100000000 ] - [ -0.0028296300000000, 0.0002693500000000, -0.0028709800000000 ] - [ 0.0000216200000000, -0.0000444100000000, -0.0004110200000000 ] - [ 0.0000898500000000, -0.0000727200000000, 0.0000036900000000 ] - [ -0.0012345900000000, 0.0013768300000000, -0.0008041400000000 ] - [ 0.0015696900000000, -0.0006375000000000, 0.0000860100000000 ] - [ 0.0000067100000000, -0.0001084000000000, -0.0000000900000000 ] - [ -0.0000066200000000, 0.0000094800000000, 0.0002250300000000 ] - [ 0.0076150500000000, 0.0039696200000000, 0.0006912100000000 ] - [ 0.0001275200000000, 0.0000893200000000, -0.0000284000000000 ] - [ -0.0001942700000000, 0.0001207700000000, 0.0001588400000000 ] - [ -0.0002552200000000, -0.0013902800000000, 0.0001561300000000 ] - [ -0.0000054500000000, -0.0001140600000000, 0.0000211600000000 ] - [ -0.0011999800000000, -0.0015513900000000, -0.0017189200000000 ] - [ 0.0000343300000000, 0.0001053100000000, 0.0001098600000000 ] - [ -0.0000246500000000, 0.0000461100000000, 0.0001460800000000 ] - [ -0.0001474300000000, 0.0000484600000000, 0.0000214300000000 ] - [ 0.0000105600000000, -0.0000088700000000, 0.0002302600000000 ] - [ -0.0018795200000000, 0.0005188900000000, 0.0006929300000000 ] - [ 0.0005532500000000, 0.0000190600000000, 0.0001148600000000 ] - [ 0.0000275900000000, 0.0000310700000000, -0.0004945700000000 ] - [ -0.0008062100000000, -0.0007240500000000, -0.0004370400000000 ] - [ -0.0122328100000000, 0.0106908800000000, -0.0008337800000000 ] - [ -0.0000266500000000, -0.0000378200000000, 0.0001459400000000 ] - [ 0.0000522800000000, 0.0000033400000000, 0.0001500400000000 ] - [ -0.0000092600000000, -0.0000020600000000, -0.0002023100000000 ] - [ -0.0000268500000000, 0.0000468900000000, 0.0001464600000000 ] - [ -0.0001132300000000, 0.0003044100000000, -0.0000889600000000 ] - [ 0.1562380300000000, 0.0120017000000000, -0.0075211200000000 ] - [ -0.0003342500000000, 0.0025835700000000, 0.0001539900000000 ] - [ 0.0000087600000000, -0.0002031700000000, -0.0002148600000000 ] - [ 0.0000673100000000, 0.0000371800000000, -0.0000919600000000 ] - [ -0.0000059400000000, -0.0003719600000000, 0.0003206100000000 ] - [ -0.0046524900000000, 0.0003793500000000, -0.0000875100000000 ] - [ -0.0000696400000000, 0.0002326500000000, -0.0003493700000000 ] - [ -0.0047305500000000, -0.0002666500000000, -0.0000898600000000 ] - [ -0.0002003200000000, 0.0003972500000000, 0.0000331200000000 ] - [ 0.0001361100000000, 0.0000007400000000, 0.0000916300000000 ] - [ 0.0000283500000000, 0.0000785700000000, -0.0000190900000000 ] - [ 0.0008423800000000, 0.0017245200000000, 0.0007022600000000 ] - [ 0.0000414300000000, -0.0000462900000000, 0.0000044300000000 ] - [ -0.0005951900000000, -0.0000907300000000, -0.0003036100000000 ] - [ -0.0170238300000000, 0.0099067900000000, 0.0021198300000000 ] - [ 0.0000897800000000, 0.0000669800000000, 0.0000443100000000 ] - [ -0.0009314500000000, 0.0002196200000000, 0.0014154500000000 ] - [ 0.0000600100000000, 0.0011043100000000, 0.0001098300000000 ] - [ -0.0001956600000000, -0.0003663200000000, -0.0002026800000000 ] - [ 0.0001840300000000, 0.0003379700000000, -0.0000903000000000 ] - [ -0.0002154800000000, 0.0003535400000000, -0.0003068200000000 ] - [ -0.0001822400000000, 0.0003445200000000, -0.0002094500000000 ] - [ -0.0000976300000000, 0.0002316400000000, 0.0003855100000000 ] - [ 0.0002531000000000, 0.0001115200000000, 0.0003830600000000 ] - [ -0.0002290500000000, -0.0004131500000000, 0.0001764200000000 ] - [ -0.0000774400000000, 0.0001314300000000, 0.0000964100000000 ] - [ -0.0007581400000000, -0.0001395100000000, -0.0005024100000000 ] - [ 0.0000694800000000, -0.0000040500000000, 0.0001503800000000 ] - [ -0.0006970200000000, -0.0001067600000000, -0.0000227100000000 ] - [ -0.0000490100000000, -0.0000256300000000, -0.0000541800000000 ] - [ 0.0004348100000000, 0.0000023400000000, -0.0001760900000000 ] - [ -0.0062357200000000, -0.0016835000000000, 0.0128356800000000 ] - [ 0.0006086000000000, -0.0027706800000000, 0.0004888700000000 ] - [ -0.0000109900000000, 0.0000027200000000, 0.0002135400000000 ] - [ -0.0001119800000000, 0.0000357600000000, 0.0000041400000000 ] - [ -0.0026440000000000, -0.0006201700000000, -0.0016088000000000 ] - [ 0.0000337000000000, -0.0001127800000000, -0.0001270800000000 ] - [ -0.0000425600000000, -0.0002600500000000, -0.0000222600000000 ] - [ -0.0000497400000000, 0.0000095400000000, -0.0005222400000000 ] - [ -0.0021889900000000, -0.0005627900000000, 0.0003402000000000 ] - [ -0.0052124700000000, -0.0038264400000000, 0.0001969400000000 ] - [ -0.0000346000000000, -0.0000511800000000, 0.0001545000000000 ] - [ -0.0022056500000000, -0.0004383100000000, 0.0018050000000000 ] - [ -0.0002158800000000, 0.0005037700000000, -0.0011038100000000 ] - [ -0.0001613000000000, 0.0000222700000000, -0.0000202000000000 ] - [ 0.0038203300000000, 0.0026931000000000, -0.0043073900000000 ] - [ -0.0030943600000000, 0.0003048200000000, 0.0013111400000000 ] - [ 0.0000009800000000, 0.0000065300000000, -0.0002083100000000 ] - [ 0.0015693300000000, 0.0068136800000000, -0.0103681100000000 ] - [ 0.0000991100000000, -0.0000998400000000, -0.0000059200000000 ] - [ -0.0000644800000000, -0.0001303500000000, 0.0000898200000000 ] - [ -0.0003648400000000, 0.0007302800000000, 0.0001932200000000 ] - [ -0.0028116500000000, 0.0005973700000000, 0.0001069900000000 ] - [ 0.0002659000000000, -0.0019626700000000, 0.0000860000000000 ] - [ -0.0003216900000000, -0.0006804300000000, -0.0002298800000000 ] - [ 0.0009599900000000, 0.0002626500000000, 0.0002545700000000 ] - [ 0.0017484500000000, -0.0001890500000000, 0.0006575300000000 ] - [ 0.0000194600000000, -0.0000137900000000, -0.0000846000000000 ] - [ 0.0046452100000000, -0.0070937600000000, -0.0112649500000000 ] - [ -0.0001010700000000, -0.0000081300000000, -0.0000467800000000 ] - [ 0.0003062400000000, -0.0007505100000000, 0.0001171900000000 ] - [ 0.0000378000000000, 0.0001066800000000, 0.0000158400000000 ] - [ 0.0012621600000000, 0.0023970600000000, 0.0017022000000000 ] - [ 0.0001905300000000, -0.0001104100000000, -0.0000260600000000 ] - [ 0.0017646900000000, -0.0019103300000000, 0.0014939500000000 ] - [ 0.0000770100000000, 0.0000194700000000, 0.0000736600000000 ] - [ 0.0002356000000000, -0.0000106600000000, -0.0001459600000000 ] - [ -0.0009342700000000, 0.0016520500000000, -0.0015766800000000 ] - [ 0.0010828900000000, -0.0007492500000000, 0.0006755700000000 ] - [ -0.0001235300000000, -0.0000042000000000, 0.0000410800000000 ] - [ -0.0002531500000000, -0.0001356200000000, 0.0003115900000000 ] - [ -0.0292231200000000, -0.0196457300000000, 0.0016174200000000 ] - [ 0.0000287700000000, 0.0001085500000000, 0.0000069500000000 ] - [ -0.0047896600000000, -0.0002646600000000, 0.0126718600000000 ] - [ -0.0001145600000000, 0.0000264100000000, 0.0000596600000000 ] - [ -0.0000843700000000, 0.0001615800000000, -0.0000198400000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014019000000000, -0.0010207300000000, -0.0025730800000000 ] - [ 0.0001017100000000, 0.0001042700000000, -0.0017831800000000 ] - [ 0.0000057300000000, 0.0000099300000000, -0.0012240000000000 ] - [ -0.0015849200000000, 0.0007037200000000, -0.0025730800000000 ] - [ -0.0003657600000000, -0.0006335100000000, -0.0013449700000000 ] - [ 0.0000394500000000, 0.0001402200000000, -0.0017831800000000 ] - [ 0.0001893900000000, 0.0003280300000000, 0.0127070600000000 ] - [ -0.0000550300000000, -0.0001036600000000, -0.0011251100000000 ] - [ -0.0000756200000000, 0.0002669700000000, -0.0017775900000000 ] - [ 0.0000737100000000, 0.0001276600000000, -0.0027186400000000 ] - [ 0.0000996500000000, 0.0003668800000000, -0.0014492400000000 ] - [ 0.0001867100000000, -0.0007080100000000, -0.0012721200000000 ] - [ 0.0036019300000000, 0.0062387300000000, -0.0032571400000000 ] - [ -0.0000002500000000, -0.0000200000000000, -0.0012937800000000 ] - [ -0.0007119400000000, -0.0000273900000000, 0.0047594000000000 ] - [ 0.0046056400000000, 0.0004824800000000, 0.0073566600000000 ] - [ -0.0001786700000000, 0.0002052900000000, -0.0017927000000000 ] - [ 0.0002836100000000, -0.0009319900000000, 0.0043775400000000 ] - [ -0.0000785600000000, -0.0002721200000000, -0.0017803300000000 ] - [ 0.0000712400000000, 0.0001233900000000, -0.0012036500000000 ] - [ 0.0025847300000000, 0.0046854900000000, -0.0027618900000000 ] - [ -0.0001764500000000, -0.0003056200000000, -0.0015065900000000 ] - [ 0.0027653900000000, 0.0045811800000000, -0.0027618900000000 ] - [ 0.0002690100000000, 0.0000679900000000, -0.0017775900000000 ] - [ 0.0000180600000000, 0.0000312900000000, -0.0013348900000000 ] - [ -0.0044886200000000, -0.0077745200000000, 0.0114489200000000 ] - [ 0.0007921100000000, -0.0019460500000000, 0.0004534600000000 ] - [ 0.0051677200000000, -0.0058681000000000, 0.0051040900000000 ] - [ -0.0000505700000000, 0.0000065100000000, -0.0012862200000000 ] - [ -0.0001907400000000, -0.0000883500000000, -0.0015595800000000 ] - [ 0.0001319200000000, 0.0008229100000000, 0.0043829100000000 ] - [ 0.0000800600000000, -0.0001325100000000, -0.0012276600000000 ] - [ 0.0000188600000000, -0.0002093600000000, -0.0015595800000000 ] - [ -0.0001963900000000, -0.0002041000000000, -0.0017803300000000 ] - [ -0.0003659900000000, 0.0006134600000000, 0.0046462000000000 ] - [ -0.0007065100000000, -0.0001923100000000, -0.0012721200000000 ] - [ 0.0007142600000000, -0.0000102300000000, 0.0046462000000000 ] - [ 0.0002218400000000, -0.0002056100000000, -0.0013733600000000 ] - [ 0.0006467000000000, 0.0005257000000000, 0.0043829100000000 ] - [ 0.0003322500000000, -0.0006302600000000, 0.0047594000000000 ] - [ 0.0000104100000000, -0.0000655000000000, -0.0017652600000000 ] - [ -0.0038324100000000, 0.0110011800000000, 0.0397958900000000 ] - [ 0.0003615600000000, -0.0000380000000000, 0.0001174600000000 ] - [ -0.0001547800000000, 0.0000030800000000, -0.0012276600000000 ] - [ 0.0114435100000000, 0.0021816300000000, 0.0397958900000000 ] - [ 0.0000204900000000, 0.0000354900000000, 0.0039090500000000 ] - [ 0.0002671200000000, -0.0000520800000000, -0.0017927000000000 ] - [ -0.0002136900000000, 0.0002941200000000, 0.0001174600000000 ] - [ -0.0002889800000000, 0.0000893100000000, -0.0013733600000000 ] - [ -0.0020813900000000, -0.0002870400000000, 0.0004534600000000 ] - [ 0.0000190100000000, 0.0000329200000000, -0.0013209000000000 ] - [ -0.0000118500000000, -0.0000056800000000, -0.0013775600000000 ] - [ -0.0008656700000000, -0.0000750400000000, -0.0020662600000000 ] - [ 0.0000309200000000, -0.0000405400000000, -0.0012862200000000 ] - [ 0.0000049400000000, 0.0000085600000000, -0.0019182100000000 ] - [ -0.0000171900000000, -0.0000102200000000, -0.0012937800000000 ] - [ 0.0002679100000000, 0.0002697400000000, -0.0014492400000000 ] - [ -0.0190502600000000, -0.0329960300000000, 0.0590350000000000 ] - [ 0.0000097100000000, 0.0000168300000000, -0.0015048900000000 ] - [ -0.0018849800000000, 0.0042298500000000, 0.0073566600000000 ] - [ 0.0000766300000000, 0.0000301500000000, -0.0014881700000000 ] - [ -0.0009489300000000, -0.0002203800000000, 0.0043775400000000 ] - [ -0.0076657800000000, 0.0015413300000000, 0.0051040900000000 ] - [ 0.0003678500000000, -0.0007872100000000, -0.0020662600000000 ] - [ 0.0000010100000000, -0.0000131100000000, -0.0013775600000000 ] - [ 0.0003355400000000, -0.0002367700000000, 0.0002296400000000 ] - [ -0.0003728200000000, 0.0001722000000000, 0.0002296400000000 ] - [ -0.0000619300000000, -0.0000237400000000, -0.0017652600000000 ] - [ -0.0000122000000000, 0.0000814400000000, -0.0014881700000000 ] - [ -0.0001869800000000, -0.0003238500000000, -0.0024016800000000 ] - [ -0.0000622500000000, -0.0000994900000000, -0.0011251100000000 ] - [ 0.0031072900000000, -0.0009348100000000, -0.0019505700000000 ] - [ -0.0000076600000000, -0.0000130900000000, 0.0008109200000000 ] - [ -0.0000078400000000, -0.0002487900000000, 0.0012063800000000 ] - [ 0.0010540500000000, -0.0004028600000000, -0.0016695800000000 ] - [ -0.0003526500000000, -0.0006108000000000, 0.0016872500000000 ] - [ 0.0000424400000000, -0.0000642900000000, 0.0010939800000000 ] - [ -0.0001359000000000, 0.0002433000000000, 0.0013197500000000 ] - [ -0.0010296400000000, -0.0008619900000000, -0.0100359900000000 ] - [ 0.0001115500000000, 0.0001932100000000, 0.0013644400000000 ] - [ -0.0003030400000000, 0.0001085900000000, 0.0014873100000000 ] - [ -0.0001900900000000, 0.0013678400000000, -0.0018952800000000 ] - [ 0.0002180500000000, -0.0001104600000000, 0.0012125500000000 ] - [ 0.0025494600000000, 0.0016483700000000, -0.0025927500000000 ] - [ 0.0001208700000000, 0.0001830600000000, 0.0011094900000000 ] - [ 0.0001180500000000, 0.0001531200000000, 0.0012194600000000 ] - [ -0.0000904400000000, -0.0000848600000000, 0.0012708200000000 ] - [ -0.0001502700000000, -0.0002602700000000, 0.0013697500000000 ] - [ -0.0008759200000000, 0.0007114100000000, -0.0016695800000000 ] - [ 0.0005904000000000, -0.0000629900000000, 0.0014109600000000 ] - [ 0.0000114500000000, 0.0000198300000000, 0.0007614000000000 ] - [ 0.0012796300000000, 0.0005193000000000, -0.0018952800000000 ] - [ -0.0004667700000000, 0.0004181700000000, -0.0072992700000000 ] - [ 0.0001177900000000, -0.0001526000000000, 0.0012062700000000 ] - [ 0.0000725500000000, -0.0001760900000000, 0.0011992900000000 ] - [ 0.0000059600000000, -0.0000002300000000, 0.0011121400000000 ] - [ -0.0001887700000000, -0.0000252200000000, 0.0011992900000000 ] - [ -0.0001825300000000, 0.0004162400000000, 0.0013247600000000 ] - [ 0.0096988000000000, 0.0167988200000000, -0.2006665600000000 ] - [ -0.0000658900000000, 0.0001344900000000, -0.0031885100000000 ] - [ 0.0002455700000000, -0.0002081500000000, 0.0014873100000000 ] - [ -0.0000345900000000, -0.0000599100000000, 0.0011808000000000 ] - [ -0.0002709900000000, -0.0002196100000000, 0.0003899600000000 ] - [ 0.0001494200000000, 0.0000101800000000, -0.0031885100000000 ] - [ 0.0000933600000000, 0.0000884000000000, -0.0000824800000000 ] - [ 0.0000067300000000, 0.0000480300000000, -0.0030567300000000 ] - [ -0.0002474200000000, -0.0000020800000000, 0.0002751400000000 ] - [ 0.0002019500000000, -0.0000015700000000, 0.0012368300000000 ] - [ 0.0000398300000000, 0.0000472100000000, 0.0010767200000000 ] - [ -0.0008018900000000, 0.0018149100000000, -0.0017053800000000 ] - [ 0.0001151700000000, -0.0000331500000000, 0.0008322600000000 ] - [ 0.0000298800000000, 0.0001250600000000, -0.0000824800000000 ] - [ 0.0005955300000000, -0.0001951500000000, -0.0072992700000000 ] - [ -0.0000072100000000, 0.0002291900000000, 0.0011973000000000 ] - [ -0.0016489900000000, 0.0002182300000000, 0.0018549900000000 ] - [ -0.0000594700000000, -0.0015617500000000, -0.0013738400000000 ] - [ -0.0001896700000000, -0.0003285200000000, 0.0006413300000000 ] - [ -0.0001476900000000, 0.0005016400000000, 0.0006971400000000 ] - [ 0.0003377100000000, 0.0004271200000000, 0.0013246300000000 ] - [ -0.0001556500000000, 0.0003526200000000, 0.0006812700000000 ] - [ -0.0003497500000000, 0.0004798100000000, 0.0014109600000000 ] - [ 0.0000825000000000, -0.0000029000000000, 0.0012843700000000 ] - [ -0.0003440300000000, -0.0005958800000000, 0.0013305800000000 ] - [ -0.0001023400000000, 0.0001741100000000, 0.0012368300000000 ] - [ 0.0005082800000000, 0.0001229200000000, 0.0006971400000000 ] - [ 0.0000735800000000, 0.0001788000000000, 0.0012194600000000 ] - [ 0.0001219100000000, -0.0002153100000000, 0.0002751400000000 ] - [ 0.0000262500000000, -0.0000174800000000, 0.0010912700000000 ] - [ 0.0003832100000000, 0.0000415200000000, 0.0006812700000000 ] - [ -0.0139804200000000, -0.0012066200000000, 0.0091457300000000 ] - [ 0.0000708100000000, 0.0001226500000000, -0.0033594700000000 ] - [ 0.0002786600000000, 0.0000039500000000, 0.0013197500000000 ] - [ -0.0000769000000000, 0.0000046100000000, 0.0010939800000000 ] - [ 0.0019727000000000, 0.0002129900000000, -0.0017053800000000 ] - [ -0.0000295000000000, -0.0000510900000000, 0.0011529700000000 ] - [ -0.0001503000000000, -0.0002603300000000, 0.0016918700000000 ] - [ -0.0000075000000000, -0.0000131800000000, 0.0008109200000000 ] - [ -0.0005270400000000, -0.0004978300000000, -0.0025034000000000 ] - [ 0.0007403000000000, -0.0002715700000000, -0.0053432900000000 ] - [ -0.0001910500000000, 0.0000257100000000, 0.0012062700000000 ] - [ -0.0013227800000000, -0.0008323800000000, -0.0013738400000000 ] - [ 0.0010134900000000, -0.0013189500000000, 0.0018549900000000 ] - [ -0.0000437600000000, 0.0000700000000000, 0.0012843700000000 ] - [ 0.0059452400000000, -0.0127107100000000, 0.0091457300000000 ] - [ -0.0006063700000000, 0.0005401200000000, -0.0021758500000000 ] - [ -0.0000031800000000, 0.0000050500000000, 0.0011121400000000 ] - [ 0.0077063900000000, -0.0129624600000000, 0.0134565000000000 ] - [ 0.0000202100000000, 0.0000077100000000, 0.0011340200000000 ] - [ -0.0001004300000000, -0.0001739500000000, 0.0012479800000000 ] - [ -0.0001676100000000, -0.0007053400000000, -0.0025034000000000 ] - [ 0.0000382300000000, 0.0000298500000000, -0.0030567300000000 ] - [ -0.0011564300000000, -0.0020030000000000, -0.0021209000000000 ] - [ 0.0000756100000000, 0.0001309600000000, 0.0011596400000000 ] - [ 0.0002010400000000, 0.0005060200000000, 0.0013246300000000 ] - [ -0.0006053400000000, 0.0005053300000000, -0.0053432900000000 ] - [ -0.0000282600000000, 0.0000139900000000, 0.0010912700000000 ] - [ 0.0154810300000000, 0.0268139300000000, 0.0255954100000000 ] - [ -0.0000034300000000, 0.0000213600000000, 0.0011340200000000 ] - [ 0.0001528000000000, 0.0030320800000000, -0.0025927500000000 ] - [ 0.0002020900000000, 0.0001083600000000, 0.0011973000000000 ] - [ -0.0023632100000000, 0.0022235900000000, -0.0019505700000000 ] - [ -0.0000546900000000, -0.0003444900000000, 0.0003899600000000 ] - [ -0.0018345900000000, -0.0031776000000000, -0.0014990800000000 ] - [ 0.0000981000000000, 0.0001962100000000, 0.0011094900000000 ] - [ 0.0004517400000000, 0.0000500400000000, 0.0013247600000000 ] - [ 0.0007709500000000, -0.0002550700000000, -0.0021758500000000 ] - [ -0.0005302600000000, -0.0009184400000000, 0.0025792400000000 ] - [ -0.0002046800000000, 0.0001336000000000, 0.0012125500000000 ] - [ -0.0000282700000000, -0.0001207600000000, 0.0012708200000000 ] - [ -0.0002316900000000, -0.0013226900000000, -0.0100359900000000 ] - [ 0.0000209700000000, 0.0000581000000000, 0.0010767200000000 ] - [ -0.0150790200000000, 0.0001927000000000, 0.0134565000000000 ] - [ -0.0002115400000000, -0.0001311800000000, 0.0012063800000000 ] - [ -0.0000863000000000, 0.0000831600000000, 0.0008322600000000 ]- atom: 99 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013478300000000, 0.0009259100000000, 0.0025694000000000 ] - [ -0.0001008600000000, -0.0001035400000000, 0.0017811100000000 ] - [ -0.0000056400000000, -0.0000097700000000, 0.0016252900000000 ] - [ 0.0014757700000000, -0.0007043000000000, 0.0025694000000000 ] - [ 0.0004276000000000, 0.0007406200000000, 0.0013386900000000 ] - [ -0.0000392400000000, -0.0001391200000000, 0.0017811100000000 ] - [ -0.0000276700000000, -0.0000479300000000, -0.0127383900000000 ] - [ 0.0000482200000000, 0.0001024900000000, 0.0014576100000000 ] - [ -0.0002450400000000, 0.0001487000000000, 0.0015772700000000 ] - [ -0.0000756600000000, -0.0001310400000000, 0.0018727100000000 ] - [ 0.0000487100000000, -0.0001707600000000, 0.0015276300000000 ] - [ -0.0001991200000000, 0.0007438500000000, 0.0016933900000000 ] - [ -0.0036140500000000, -0.0062597100000000, 0.0041065500000000 ] - [ 0.0000021500000000, 0.0000252900000000, 0.0019165100000000 ] - [ 0.0004594100000000, -0.0000078000000000, -0.0048546800000000 ] - [ -0.0045079800000000, -0.0002364400000000, -0.0074762500000000 ] - [ -0.0000228100000000, 0.0002798600000000, 0.0015930100000000 ] - [ -0.0002085700000000, 0.0008050900000000, -0.0049660900000000 ] - [ -0.0002413100000000, -0.0001455200000000, 0.0015816600000000 ] - [ 0.0000075300000000, 0.0000130400000000, 0.0018533800000000 ] - [ -0.0020460200000000, -0.0045952000000000, 0.0029613100000000 ] - [ -0.0001013300000000, -0.0001755200000000, 0.0014056000000000 ] - [ -0.0029565500000000, -0.0040695100000000, 0.0029613100000000 ] - [ 0.0002513000000000, -0.0001378600000000, 0.0015772700000000 ] - [ 0.0000490300000000, 0.0000849300000000, 0.0019583600000000 ] - [ 0.0041936100000000, 0.0072635400000000, -0.0114470800000000 ] - [ -0.0008027700000000, 0.0019456400000000, -0.0008088400000000 ] - [ -0.0053007900000000, 0.0058381700000000, -0.0056897300000000 ] - [ -0.0000843100000000, -0.0000057200000000, 0.0019096500000000 ] - [ -0.0000481400000000, 0.0001110000000000, 0.0016373700000000 ] - [ -0.0000950900000000, -0.0008533400000000, -0.0049577600000000 ] - [ -0.0000053500000000, -0.0000082400000000, 0.0018789100000000 ] - [ 0.0001202000000000, 0.0000138100000000, 0.0016373700000000 ] - [ -0.0000053700000000, -0.0002817400000000, 0.0015816600000000 ] - [ 0.0009053900000000, -0.0006140400000000, -0.0045751300000000 ] - [ 0.0007437500000000, 0.0001994900000000, 0.0016933900000000 ] - [ -0.0009844700000000, 0.0004770700000000, -0.0045751300000000 ] - [ -0.0001199300000000, -0.0000227900000000, 0.0014505700000000 ] - [ -0.0006914600000000, -0.0005090200000000, -0.0049577600000000 ] - [ -0.0002364600000000, 0.0003939600000000, -0.0048546800000000 ] - [ -0.0000265600000000, 0.0001075500000000, 0.0013356900000000 ] - [ 0.0045930200000000, -0.0122951400000000, -0.0409329300000000 ] - [ 0.0001592200000000, -0.0000375300000000, 0.0000878600000000 ] - [ -0.0000044600000000, -0.0000087500000000, 0.0018789100000000 ] - [ -0.0129444200000000, -0.0021699000000000, -0.0409329300000000 ] - [ 0.0000437300000000, 0.0000757500000000, -0.0045214700000000 ] - [ 0.0002537700000000, 0.0001201800000000, 0.0015930100000000 ] - [ -0.0001121100000000, 0.0001191300000000, 0.0000878600000000 ] - [ 0.0000402200000000, -0.0001152600000000, 0.0014505700000000 ] - [ 0.0020863600000000, 0.0002776000000000, -0.0008088400000000 ] - [ 0.0000757800000000, 0.0001312600000000, 0.0018859500000000 ] - [ -0.0001789200000000, 0.0000061700000000, 0.0019418700000000 ] - [ 0.0009556600000000, -0.0000884300000000, 0.0014957500000000 ] - [ 0.0000372000000000, -0.0000758800000000, 0.0019096500000000 ] - [ -0.0000248400000000, -0.0000430200000000, 0.0014906800000000 ] - [ 0.0000208200000000, 0.0000145100000000, 0.0019165100000000 ] - [ -0.0001722300000000, -0.0000432000000000, 0.0015276300000000 ] - [ 0.0177845500000000, 0.0308037500000000, -0.0578688800000000 ] - [ 0.0000833200000000, 0.0001443200000000, 0.0009378900000000 ] - [ 0.0020492300000000, -0.0040222500000000, -0.0074762500000000 ] - [ 0.0004817500000000, -0.0000310600000000, 0.0013852100000000 ] - [ 0.0008015100000000, 0.0002219200000000, -0.0049660900000000 ] - [ 0.0077064000000000, -0.0016715300000000, -0.0056897300000000 ] - [ -0.0005544100000000, 0.0007834100000000, 0.0014957500000000 ] - [ 0.0000948100000000, -0.0001518600000000, 0.0019418700000000 ] - [ -0.0006537100000000, -0.0001782300000000, -0.0000232600000000 ] - [ 0.0001725000000000, -0.0006552400000000, -0.0000232600000000 ] - [ 0.0001064200000000, 0.0000307700000000, 0.0013356900000000 ] - [ -0.0002677700000000, 0.0004016700000000, 0.0013852100000000 ] - [ 0.0001671100000000, 0.0002894400000000, 0.0028158200000000 ] - [ 0.0000646500000000, 0.0000930100000000, 0.0014576100000000 ] - [ -0.0033243300000000, 0.0010465800000000, 0.0015577800000000 ] - [ 0.0000700500000000, -0.0000963400000000, -0.0016779400000000 ] - [ 0.0001661000000000, 0.0000733300000000, -0.0010748900000000 ] - [ -0.0011948900000000, 0.0006571500000000, 0.0013893800000000 ] - [ 0.0003307500000000, 0.0005728800000000, -0.0022199900000000 ] - [ 0.0000583500000000, -0.0001236200000000, -0.0010245500000000 ] - [ 0.0001186000000000, -0.0002104200000000, -0.0007789800000000 ] - [ 0.0011212200000000, 0.0009320000000000, 0.0099377300000000 ] - [ 0.0001062700000000, 0.0001840600000000, -0.0013627000000000 ] - [ -0.0001448800000000, -0.0001103800000000, -0.0014841400000000 ] - [ 0.0003033700000000, -0.0013491300000000, 0.0015114700000000 ] - [ -0.0001435700000000, -0.0001161800000000, -0.0010830600000000 ] - [ -0.0023606000000000, -0.0015113400000000, 0.0021959000000000 ] - [ -0.0001009700000000, 0.0000568800000000, -0.0006888700000000 ] - [ -0.0001733700000000, -0.0000507400000000, -0.0008479400000000 ] - [ -0.0001246300000000, -0.0000218300000000, -0.0008518300000000 ] - [ 0.0001346900000000, 0.0002332900000000, -0.0008309200000000 ] - [ 0.0011665500000000, -0.0007062300000000, 0.0013893800000000 ] - [ 0.0001060400000000, 0.0000684700000000, -0.0010419700000000 ] - [ 0.0000501500000000, 0.0000868700000000, -0.0016279300000000 ] - [ -0.0013200700000000, -0.0004118400000000, 0.0015114700000000 ] - [ 0.0004214500000000, -0.0004873700000000, 0.0081549300000000 ] - [ -0.0001658900000000, 0.0000515800000000, -0.0008361400000000 ] - [ 0.0000428700000000, 0.0001728300000000, -0.0008259400000000 ] - [ -0.0000046900000000, 0.0000008500000000, -0.0014315500000000 ] - [ 0.0001282400000000, 0.0001235400000000, -0.0008259400000000 ] - [ -0.0001414700000000, 0.0001516800000000, -0.0013234900000000 ] - [ -0.0077465100000000, -0.0134173400000000, 0.2010243800000000 ] - [ -0.0001585400000000, -0.0001327400000000, 0.0031144800000000 ] - [ -0.0000231500000000, -0.0001806600000000, -0.0014841400000000 ] - [ 0.0000648200000000, 0.0001122600000000, -0.0012636500000000 ] - [ 0.0004312100000000, 0.0003989500000000, -0.0005233400000000 ] - [ -0.0000356900000000, -0.0002036700000000, 0.0031144800000000 ] - [ -0.0001117400000000, -0.0000566200000000, -0.0004600600000000 ] - [ 0.0001102300000000, 0.0001448300000000, 0.0029827400000000 ] - [ 0.0000146600000000, -0.0000442200000000, -0.0004066200000000 ] - [ 0.0000936700000000, 0.0000022200000000, -0.0009704400000000 ] - [ 0.0000591900000000, 0.0001360800000000, -0.0010055000000000 ] - [ 0.0007435500000000, -0.0019063300000000, 0.0013216300000000 ] - [ 0.0001443400000000, 0.0000322000000000, -0.0008169000000000 ] - [ 0.0000068300000000, -0.0001250800000000, -0.0004600600000000 ] - [ -0.0006328000000000, 0.0001213100000000, 0.0081549300000000 ] - [ 0.0001653700000000, -0.0000524000000000, -0.0010659800000000 ] - [ 0.0014070200000000, -0.0001696100000000, -0.0019762500000000 ] - [ 0.0000549500000000, 0.0015562000000000, 0.0016720200000000 ] - [ -0.0002145200000000, -0.0003715600000000, -0.0009589500000000 ] - [ 0.0001483400000000, -0.0005044900000000, -0.0006893300000000 ] - [ -0.0007444000000000, 0.0002657800000000, -0.0010034600000000 ] - [ -0.0002540000000000, 0.0003413200000000, -0.0009968300000000 ] - [ 0.0000062800000000, 0.0001260700000000, -0.0010419700000000 ] - [ 0.0001228600000000, -0.0001276200000000, -0.0008686600000000 ] - [ -0.0000027400000000, -0.0000047400000000, -0.0009652900000000 ] - [ -0.0000449100000000, 0.0000822300000000, -0.0009704400000000 ] - [ -0.0005110700000000, -0.0001237800000000, -0.0006893300000000 ] - [ 0.0000427400000000, -0.0001755200000000, -0.0008479400000000 ] - [ -0.0000456300000000, -0.0000094100000000, -0.0004066200000000 ] - [ -0.0000831400000000, 0.0000176800000000, -0.0011731600000000 ] - [ 0.0004225900000000, -0.0000493100000000, -0.0009968300000000 ] - [ 0.0138167800000000, 0.0018132800000000, -0.0096322900000000 ] - [ 0.0000014200000000, 0.0000024600000000, 0.0042274700000000 ] - [ -0.0002415300000000, -0.0000025000000000, -0.0007789800000000 ] - [ -0.0001362300000000, -0.0000112800000000, -0.0010245500000000 ] - [ -0.0020227100000000, -0.0003092300000000, 0.0013216300000000 ] - [ -0.0001019900000000, -0.0001766500000000, -0.0011388300000000 ] - [ -0.0001693900000000, -0.0002933900000000, -0.0016882100000000 ] - [ -0.0001184600000000, 0.0000124900000000, -0.0016779400000000 ] - [ 0.0007935200000000, 0.0004985700000000, 0.0024966700000000 ] - [ -0.0008021200000000, 0.0002608700000000, 0.0054118800000000 ] - [ 0.0001276200000000, -0.0001178700000000, -0.0008361400000000 ] - [ 0.0013202300000000, 0.0008256900000000, 0.0016720200000000 ] - [ -0.0008504000000000, 0.0011337100000000, -0.0019762500000000 ] - [ -0.0001719500000000, 0.0000425900000000, -0.0008686600000000 ] - [ -0.0053380500000000, 0.0128723200000000, -0.0096322900000000 ] - [ 0.0006219100000000, -0.0007851300000000, 0.0017744900000000 ] - [ 0.0000030800000000, -0.0000036400000000, -0.0014315500000000 ] - [ -0.0074726200000000, 0.0127631300000000, -0.0136220200000000 ] - [ 0.0000881200000000, -0.0001883900000000, -0.0010648600000000 ] - [ -0.0000470800000000, -0.0000815500000000, -0.0009819400000000 ] - [ 0.0000350100000000, 0.0009364900000000, 0.0024966700000000 ] - [ 0.0000703100000000, 0.0001678800000000, 0.0029827400000000 ] - [ 0.0008128900000000, 0.0014079600000000, 0.0017633800000000 ] - [ -0.0004761200000000, -0.0008246700000000, -0.0008337500000000 ] - [ 0.0006023700000000, -0.0005117800000000, -0.0010034600000000 ] - [ 0.0006269800000000, -0.0005642200000000, 0.0054118800000000 ] - [ 0.0000568800000000, -0.0000631600000000, -0.0011731600000000 ] - [ -0.0158704900000000, -0.0274885000000000, -0.0260289100000000 ] - [ -0.0002072100000000, -0.0000178800000000, -0.0010648600000000 ] - [ -0.0001285600000000, -0.0028000100000000, 0.0021959000000000 ] - [ -0.0001280700000000, 0.0001170100000000, -0.0010659800000000 ] - [ 0.0025685300000000, -0.0023556700000000, 0.0015577800000000 ] - [ 0.0001298900000000, 0.0005729100000000, -0.0005233400000000 ] - [ 0.0016789000000000, 0.0029079400000000, 0.0012067800000000 ] - [ 0.0000997400000000, -0.0000590000000000, -0.0006888700000000 ] - [ 0.0002020900000000, -0.0000466800000000, -0.0013234900000000 ] - [ -0.0009909000000000, 0.0001460200000000, 0.0017744900000000 ] - [ 0.0005299600000000, 0.0009179100000000, -0.0025784100000000 ] - [ -0.0000288300000000, -0.0001824300000000, -0.0010830600000000 ] - [ 0.0000434100000000, -0.0001188500000000, -0.0008518300000000 ] - [ 0.0002465300000000, 0.0014370100000000, 0.0099377300000000 ] - [ 0.0000882500000000, 0.0001193000000000, -0.0010055000000000 ] - [ 0.0147895100000000, -0.0000899100000000, -0.0136220200000000 ] - [ -0.0000195500000000, 0.0001805100000000, -0.0010748900000000 ] - [ -0.0000442900000000, 0.0001411000000000, -0.0008169000000000 ]- atom: 111 displacement: [ -0.0050000000103275, 0.0086602540318818, 0.0000000000000000 ] forces: - [ -0.0025445100000000, -0.0005563400000000, 0.0022932900000000 ] - [ 0.0000043500000000, -0.0000113200000000, -0.0000737700000000 ] - [ 0.0012872900000000, 0.0004592000000000, 0.0011787200000000 ] - [ 0.0017943100000000, 0.0019441400000000, 0.0024668400000000 ] - [ 0.0019604800000000, -0.0030780100000000, -0.0047133300000000 ] - [ -0.0000207300000000, 0.0000058000000000, 0.0000568900000000 ] - [ 0.0000119700000000, 0.0000191800000000, -0.0002066300000000 ] - [ -0.0086664700000000, -0.0019884400000000, -0.0015391000000000 ] - [ -0.0007618900000000, 0.0008558100000000, 0.0004939300000000 ] - [ 0.0056835900000000, 0.0059429000000000, -0.0020286400000000 ] - [ 0.0011174600000000, 0.0010628300000000, 0.0001172200000000 ] - [ -0.0000047500000000, 0.0000231300000000, 0.0002334300000000 ] - [ 0.0002521000000000, 0.0003750000000000, -0.0005243400000000 ] - [ -0.0021862500000000, -0.0024793600000000, 0.0015292400000000 ] - [ 0.0001122500000000, -0.0002898000000000, -0.0002307200000000 ] - [ -0.0001204300000000, 0.0004086000000000, 0.0001472000000000 ] - [ 0.0006441700000000, 0.0000010800000000, -0.0005158100000000 ] - [ 0.0000469300000000, -0.0000923600000000, -0.0003023700000000 ] - [ -0.0005104600000000, 0.0002452100000000, -0.0010543000000000 ] - [ 0.0006224800000000, -0.0011274700000000, 0.0021387600000000 ] - [ 0.0002559000000000, 0.0000265100000000, 0.0001066200000000 ] - [ 0.0034415700000000, -0.0072758400000000, 0.0030338200000000 ] - [ -0.0000913800000000, 0.0002307300000000, 0.0001103700000000 ] - [ 0.0000957900000000, -0.0008603500000000, -0.0004191600000000 ] - [ 0.0012079000000000, -0.0006974400000000, 0.0002254200000000 ] - [ -0.0000117600000000, -0.0005860400000000, -0.0001449300000000 ] - [ -0.0004373800000000, -0.0000212400000000, -0.0012116400000000 ] - [ -0.0000788700000000, 0.0000073000000000, -0.0002795800000000 ] - [ -0.0053227600000000, 0.0069193500000000, 0.0006178300000000 ] - [ -0.0012768500000000, -0.0004936800000000, 0.0001668900000000 ] - [ -0.0000637200000000, 0.0000022400000000, -0.0003475200000000 ] - [ -0.0009487700000000, -0.0001108400000000, -0.0006116600000000 ] - [ 0.0066131400000000, 0.0002247300000000, -0.0030566700000000 ] - [ -0.0005087500000000, -0.0003412200000000, 0.0000430300000000 ] - [ 0.0001076700000000, 0.0003111800000000, 0.0002446100000000 ] - [ 0.0000210400000000, 0.0000086700000000, 0.0002319200000000 ] - [ -0.0002792100000000, -0.0000165900000000, 0.0002259400000000 ] - [ -0.0328606200000000, 0.0507872300000000, -0.0232074200000000 ] - [ 0.0000310400000000, -0.0000521900000000, -0.0002190500000000 ] - [ -0.0001158600000000, 0.0001695700000000, -0.0004175100000000 ] - [ 0.0000585400000000, -0.0000424100000000, -0.0001313700000000 ] - [ -0.0001779500000000, -0.0000335100000000, -0.0000105100000000 ] - [ 0.0002643900000000, -0.0000501500000000, 0.0001088100000000 ] - [ 0.0005213300000000, 0.0013381400000000, -0.0008932600000000 ] - [ 0.0003509900000000, -0.0001323500000000, 0.0001465900000000 ] - [ 0.0000439500000000, 0.0000552500000000, -0.0003878100000000 ] - [ 0.0003295100000000, -0.0003552700000000, 0.0001603500000000 ] - [ -0.0001703600000000, 0.0002166100000000, 0.0001049300000000 ] - [ 0.0041365700000000, -0.0060609900000000, 0.0028596000000000 ] - [ 0.0002161500000000, -0.0004027400000000, 0.0018892500000000 ] - [ 0.0001915200000000, -0.0000921300000000, 0.0003872800000000 ] - [ -0.0000063100000000, 0.0001390200000000, 0.0002178000000000 ] - [ 0.0000408900000000, -0.0000807100000000, -0.0002783000000000 ] - [ -0.0000124700000000, -0.0013319700000000, 0.0001338700000000 ] - [ 0.0000276700000000, 0.0000309100000000, -0.0001708800000000 ] - [ 0.0030284900000000, -0.0059249600000000, -0.0023460400000000 ] - [ -0.0051695900000000, 0.0349062500000000, 0.0093265600000000 ] - [ 0.0000572300000000, 0.0000238600000000, -0.0003036100000000 ] - [ 0.0000501900000000, 0.0000769900000000, -0.0002647400000000 ] - [ 0.0001223300000000, 0.0001502700000000, -0.0000009000000000 ] - [ -0.0354122200000000, 0.0223413300000000, 0.0135810600000000 ] - [ -0.0001019100000000, 0.0000633900000000, -0.0003046900000000 ] - [ 0.0000297200000000, -0.0000737400000000, -0.0002819500000000 ] - [ -0.0000894100000000, 0.0000070100000000, -0.0002806000000000 ] - [ -0.0001136500000000, -0.0001281600000000, 0.0002321700000000 ] - [ -0.0001630100000000, -0.0002023500000000, 0.0001146100000000 ] - [ -0.0001076800000000, -0.0002449000000000, 0.0001121900000000 ] - [ -0.0000407900000000, 0.0001146200000000, -0.0001368100000000 ] - [ -0.0039533900000000, -0.0050596000000000, -0.0032545600000000 ] - [ -0.0000081000000000, -0.0000168100000000, 0.0002245500000000 ] - [ 0.0057157200000000, -0.0103673200000000, 0.0036851400000000 ] - [ -0.0002776500000000, -0.0001320900000000, -0.0008340300000000 ] - [ 0.0024925900000000, 0.0000346000000000, 0.0010828000000000 ] - [ 0.0002184600000000, 0.0000340400000000, -0.0000636800000000 ] - [ -0.0000742000000000, 0.0001349600000000, -0.0001475500000000 ] - [ -0.0000113600000000, -0.0000135200000000, -0.0002762300000000 ] - [ -0.0049216800000000, 0.0081674600000000, 0.0227174100000000 ] - [ -0.0000490700000000, 0.0001150600000000, 0.0002791000000000 ] - [ 0.0000913800000000, -0.0000073800000000, 0.0000170700000000 ] - [ 0.0000742100000000, 0.0002241200000000, -0.0000232000000000 ] - [ -0.0002354200000000, -0.0000372000000000, 0.0000154800000000 ] - [ 0.0000383000000000, 0.0000105100000000, -0.0001788600000000 ] - [ 0.0002418100000000, -0.0001137100000000, 0.0003013500000000 ] - [ -0.0003226700000000, 0.0008123900000000, -0.0002359500000000 ] - [ 0.0011785100000000, 0.0209517100000000, -0.0008370300000000 ] - [ -0.0006147700000000, 0.0000101900000000, 0.0005454100000000 ] - [ 0.0030080100000000, -0.0039516800000000, -0.0000851900000000 ] - [ -0.0000839400000000, 0.0000906400000000, 0.0002687500000000 ] - [ 0.0001548800000000, -0.0000185700000000, -0.0001472300000000 ] - [ -0.0024135800000000, -0.0017396800000000, -0.0000932000000000 ] - [ -0.0015437900000000, 0.0027381200000000, -0.0032730300000000 ] - [ -0.0000231000000000, 0.0000385600000000, -0.0001729200000000 ] - [ -0.0001047500000000, -0.0000940100000000, 0.0003500600000000 ] - [ -0.0002676100000000, -0.0002449600000000, 0.0002355800000000 ] - [ -0.0005544000000000, 0.0007049200000000, -0.0000867500000000 ] - [ -0.0004084800000000, 0.0009914000000000, 0.0018445200000000 ] - [ 0.0001908700000000, 0.0002043700000000, -0.0012417300000000 ] - [ -0.0001739600000000, 0.0002961300000000, -0.0000232700000000 ] - [ 0.0000107000000000, 0.0000456300000000, 0.0000227800000000 ] - [ -0.0001103000000000, 0.0000068700000000, -0.0000530400000000 ] - [ 0.0001483000000000, -0.0001804000000000, 0.0000072100000000 ] - [ -0.0006495600000000, -0.0000117100000000, 0.0000554800000000 ] - [ 0.0000742200000000, 0.0000998100000000, -0.0000689900000000 ] - [ 0.0001026700000000, -0.0001780700000000, -0.0001349900000000 ] - [ -0.0000118900000000, 0.0000191800000000, -0.0002798300000000 ] - [ 0.0000088900000000, 0.0001623200000000, -0.0000832600000000 ] - [ -0.0001140100000000, -0.0000304900000000, -0.0000716600000000 ] - [ 0.0003875100000000, -0.0019687000000000, 0.0008772500000000 ] - [ 0.0074900300000000, 0.0010461100000000, -0.0107340800000000 ] - [ -0.0000327700000000, -0.0000591200000000, -0.0001949600000000 ] - [ 0.0991229900000000, -0.1507833800000000, 0.0033250400000000 ] - [ 0.0000232000000000, -0.0000071200000000, -0.0002792300000000 ] - [ 0.0001292000000000, -0.0000483300000000, 0.0003553600000000 ] - [ -0.0000962400000000, 0.0003880100000000, 0.0003058900000000 ] - [ -0.0001180900000000, 0.0000191200000000, -0.0000676300000000 ] - [ 0.0000072200000000, 0.0000012600000000, 0.0001603100000000 ] - [ -0.0002331800000000, -0.0003091600000000, -0.0002669900000000 ] - [ 0.0017020200000000, 0.0003461600000000, 0.0015142800000000 ] - [ -0.0002036900000000, 0.0003427000000000, 0.0001527800000000 ] - [ -0.0001284600000000, 0.0002990100000000, -0.0001690200000000 ] - [ 0.0012218400000000, -0.0039475700000000, -0.0000203200000000 ] - [ 0.0030118300000000, 0.0014905200000000, -0.0000016900000000 ] - [ -0.0162193100000000, 0.0074172400000000, -0.0007172600000000 ] - [ 0.0001545200000000, 0.0004941200000000, 0.0004153000000000 ] - [ -0.0010648300000000, 0.0019338700000000, -0.0030003100000000 ] - [ 0.0003868200000000, 0.0001659900000000, 0.0001929600000000 ] - [ 0.0000433300000000, -0.0001118400000000, -0.0000675500000000 ] - [ -0.0037214500000000, -0.0075719500000000, -0.0156638000000000 ] - [ 0.0003067800000000, -0.0000437700000000, -0.0002173500000000 ] - [ 0.0000148700000000, -0.0000567600000000, -0.0002009800000000 ] - [ -0.0000231600000000, 0.0001439600000000, 0.0005752000000000 ] - [ 0.0001707800000000, -0.0002489000000000, 0.0002885800000000 ] - [ 0.0007454500000000, 0.0005945900000000, 0.0002610500000000 ] - [ -0.0000213000000000, -0.0000578900000000, -0.0001993300000000 ] - [ -0.0023359600000000, 0.0034535200000000, 0.0000056300000000 ] - [ -0.0001653700000000, -0.0002810700000000, -0.0000138700000000 ] - [ -0.0015619300000000, -0.0023608600000000, 0.0011384600000000 ] - [ 0.0003394000000000, -0.0003694900000000, -0.0000002700000000 ] - [ 0.0000226500000000, -0.0000852900000000, 0.0000793700000000 ] - [ 0.0017665300000000, -0.0011036700000000, 0.0006041200000000 ] - [ -0.0000017900000000, 0.0000063200000000, 0.0001398600000000 ] - [ 0.0000828500000000, -0.0000840100000000, -0.0000728200000000 ] - [ -0.0195089300000000, 0.0075123900000000, 0.0018086300000000 ] - [ -0.0000817000000000, -0.0000427100000000, -0.0002128900000000 ] - [ 0.0002692400000000, -0.0000792200000000, -0.0008214800000000 ] - [ 0.0003796000000000, 0.0004279000000000, -0.0011200500000000 ] - [ 0.0000714900000000, 0.0000118200000000, -0.0001952000000000 ] - [ 0.0005545600000000, 0.0019013400000000, -0.0009728000000000 ] - [ -0.0003349900000000, 0.0005765000000000, -0.0000608100000000 ] - [ -0.0001424700000000, 0.0002572400000000, -0.0000177300000000 ] - [ 0.0001023100000000, 0.0000101500000000, 0.0000075700000000 ] - [ -0.0003004300000000, -0.0004285900000000, 0.0004273900000000 ] - [ -0.0002021000000000, -0.0003501800000000, 0.0001516800000000 ] - [ 0.0003979900000000, -0.0000062900000000, 0.0001527800000000 ] - [ -0.0000695100000000, -0.0000146000000000, 0.0000790500000000 ] - [ -0.0016377300000000, 0.0004747000000000, -0.0008128000000000 ] - [ -0.0001530400000000, 0.0000524200000000, -0.0000121500000000 ] - [ -0.0022895800000000, 0.0021710100000000, 0.0008254400000000 ] - [ 0.0001651300000000, 0.0001584800000000, 0.0004032700000000 ] - [ 0.0000004600000000, 0.0002285800000000, -0.0002096600000000 ] - [ 0.0003479900000000, 0.0002831900000000, -0.0001856200000000 ] - [ 0.0000378500000000, 0.0001160600000000, -0.0000722000000000 ] - [ -0.0000761600000000, -0.0001095200000000, -0.0001288800000000 ] - [ -0.0027255300000000, 0.0049357200000000, 0.0006767800000000 ] - [ 0.0003400000000000, -0.0000160500000000, -0.0000205400000000 ] - [ 0.0001212900000000, -0.0004120200000000, -0.0002051800000000 ] - [ -0.0011102000000000, -0.0012323000000000, 0.0013823800000000 ] - [ -0.0001186900000000, -0.0002118400000000, 0.0000382600000000 ] - [ 0.0039011400000000, 0.0206162700000000, 0.0014133400000000 ] - [ -0.0001405500000000, 0.0000868200000000, -0.0000773700000000 ] - [ -0.0004232000000000, 0.0029736900000000, 0.0009518100000000 ] - [ -0.0000323600000000, 0.0000566000000000, -0.0002011000000000 ] - [ -0.0001955900000000, -0.0001503200000000, 0.0003278700000000 ] - [ -0.0015745300000000, 0.0036041800000000, 0.0000482500000000 ]- atom: 111 displacement: [ 0.0050000000103275, -0.0086602540318818, 0.0000000000000000 ] forces: - [ 0.0026072900000000, 0.0004431700000000, -0.0022882000000000 ] - [ -0.0000037100000000, 0.0000110000000000, 0.0000701200000000 ] - [ -0.0013047900000000, -0.0004580600000000, -0.0007831200000000 ] - [ -0.0018999200000000, -0.0019552700000000, -0.0024612400000000 ] - [ -0.0018925400000000, 0.0031677500000000, 0.0046756100000000 ] - [ 0.0000208500000000, -0.0000056000000000, -0.0000611400000000 ] - [ -0.0000117000000000, -0.0000191500000000, -0.0002002700000000 ] - [ 0.0085925100000000, 0.0020129600000000, 0.0018796300000000 ] - [ 0.0004451200000000, -0.0004406300000000, -0.0007009800000000 ] - [ -0.0056734700000000, -0.0058809500000000, 0.0011877000000000 ] - [ -0.0009335700000000, -0.0008687900000000, -0.0000362300000000 ] - [ -0.0000118400000000, 0.0000187800000000, 0.0001893500000000 ] - [ -0.0002527500000000, -0.0003763700000000, 0.0013664200000000 ] - [ 0.0022011800000000, 0.0025226500000000, -0.0008997000000000 ] - [ -0.0003584400000000, 0.0002646200000000, 0.0001457400000000 ] - [ 0.0002156700000000, -0.0001831600000000, -0.0002303200000000 ] - [ -0.0008457900000000, 0.0004824200000000, 0.0003189200000000 ] - [ 0.0000216500000000, -0.0000241000000000, -0.0003276900000000 ] - [ 0.0001946100000000, -0.0006668700000000, 0.0008547200000000 ] - [ -0.0005514400000000, 0.0012794800000000, -0.0014740200000000 ] - [ 0.0002649100000000, 0.0000410000000000, 0.0000871300000000 ] - [ -0.0037126900000000, 0.0067725700000000, -0.0030944100000000 ] - [ -0.0001101900000000, 0.0002538500000000, 0.0000834100000000 ] - [ 0.0004259700000000, 0.0007895600000000, 0.0002217900000000 ] - [ -0.0011457200000000, 0.0008079000000000, 0.0004083200000000 ] - [ -0.0002680000000000, 0.0001025100000000, 0.0002376400000000 ] - [ 0.0004287500000000, 0.0000193600000000, 0.0008719400000000 ] - [ -0.0000802300000000, -0.0000129800000000, -0.0003774200000000 ] - [ 0.0052187300000000, -0.0069393300000000, -0.0000472900000000 ] - [ 0.0010214600000000, 0.0004870200000000, -0.0000842200000000 ] - [ 0.0000648200000000, 0.0000018800000000, -0.0002812700000000 ] - [ 0.0010230100000000, -0.0000383900000000, 0.0012659700000000 ] - [ -0.0064904700000000, -0.0004313200000000, 0.0031676000000000 ] - [ 0.0003108700000000, -0.0001443700000000, -0.0002419400000000 ] - [ 0.0004518000000000, -0.0003121700000000, -0.0001464400000000 ] - [ 0.0000236800000000, -0.0000021100000000, 0.0001908800000000 ] - [ 0.0000004000000000, 0.0004993700000000, -0.0001286700000000 ] - [ 0.0307421800000000, -0.0475862800000000, 0.0206956600000000 ] - [ -0.0000276700000000, 0.0000546800000000, -0.0004099100000000 ] - [ 0.0002163900000000, -0.0003951400000000, 0.0003335400000000 ] - [ -0.0000753500000000, 0.0000856400000000, -0.0002981800000000 ] - [ -0.0000612000000000, 0.0000552600000000, -0.0000722400000000 ] - [ 0.0002561300000000, -0.0000210600000000, 0.0000852700000000 ] - [ -0.0006760500000000, -0.0013479600000000, 0.0015478200000000 ] - [ -0.0002123900000000, -0.0000643500000000, -0.0002293900000000 ] - [ 0.0000345300000000, 0.0000800300000000, -0.0002682700000000 ] - [ 0.0001888800000000, 0.0004267400000000, -0.0003591000000000 ] - [ -0.0001511000000000, 0.0001983900000000, 0.0000891500000000 ] - [ -0.0043686600000000, 0.0060206800000000, -0.0027429900000000 ] - [ -0.0002121900000000, 0.0003919400000000, -0.0022343500000000 ] - [ -0.0000974400000000, 0.0002578600000000, 0.0001768600000000 ] - [ -0.0001845200000000, -0.0001393200000000, 0.0003461100000000 ] - [ 0.0000554100000000, -0.0000844400000000, -0.0002924500000000 ] - [ 0.0000870600000000, 0.0012176000000000, 0.0004994200000000 ] - [ -0.0000480900000000, -0.0000665400000000, -0.0002560900000000 ] - [ -0.0030155600000000, 0.0059148200000000, 0.0029822000000000 ] - [ 0.0046838500000000, -0.0350903100000000, -0.0096477900000000 ] - [ 0.0000100300000000, 0.0000922600000000, -0.0003263100000000 ] - [ 0.0000453100000000, 0.0000881100000000, -0.0003063100000000 ] - [ 0.0000267800000000, 0.0000459800000000, -0.0000829200000000 ] - [ 0.0368563600000000, -0.0219834700000000, -0.0142526800000000 ] - [ -0.0000328300000000, -0.0000626300000000, -0.0003250400000000 ] - [ 0.0000456300000000, -0.0000673100000000, -0.0003751200000000 ] - [ -0.0001013400000000, -0.0000064500000000, -0.0002902300000000 ] - [ 0.0002099800000000, -0.0000377500000000, 0.0003317100000000 ] - [ -0.0001568600000000, -0.0002150300000000, 0.0000779600000000 ] - [ -0.0000932700000000, -0.0002410600000000, 0.0000803800000000 ] - [ 0.0000855200000000, -0.0001080800000000, -0.0002942600000000 ] - [ 0.0036897900000000, 0.0055501600000000, 0.0031838400000000 ] - [ -0.0000125900000000, -0.0000190900000000, 0.0001953000000000 ] - [ -0.0057332800000000, 0.0104006800000000, -0.0033609500000000 ] - [ 0.0000629300000000, 0.0002467700000000, 0.0004239700000000 ] - [ -0.0024336500000000, -0.0001286100000000, -0.0019598300000000 ] - [ -0.0000606600000000, -0.0002103700000000, 0.0001962500000000 ] - [ -0.0000729300000000, 0.0001206400000000, -0.0001144700000000 ] - [ -0.0000062300000000, -0.0000174700000000, -0.0002590700000000 ] - [ 0.0050244800000000, -0.0083431600000000, -0.0228494000000000 ] - [ 0.0000316100000000, -0.0000831900000000, 0.0002610600000000 ] - [ 0.0000192700000000, -0.0001722200000000, -0.0000820200000000 ] - [ 0.0001435300000000, 0.0001519700000000, 0.0000263900000000 ] - [ -0.0002117400000000, 0.0000346400000000, -0.0000111600000000 ] - [ 0.0000767100000000, -0.0000134600000000, -0.0001880400000000 ] - [ -0.0001684100000000, -0.0001118300000000, -0.0001713600000000 ] - [ 0.0005215300000000, -0.0006741300000000, -0.0001755900000000 ] - [ -0.0011245100000000, -0.0203929800000000, 0.0012389200000000 ] - [ 0.0005615600000000, 0.0000950200000000, -0.0001773000000000 ] - [ -0.0032956400000000, 0.0037835100000000, 0.0004989400000000 ] - [ 0.0000694100000000, -0.0001169700000000, 0.0002690700000000 ] - [ 0.0001403900000000, 0.0000187900000000, -0.0001148500000000 ] - [ 0.0031076700000000, 0.0017454900000000, 0.0004539000000000 ] - [ 0.0016058600000000, -0.0026352000000000, 0.0023693100000000 ] - [ -0.0000365400000000, 0.0000593100000000, -0.0001941300000000 ] - [ -0.0000226800000000, 0.0000914900000000, 0.0005215800000000 ] - [ 0.0002181600000000, 0.0001427800000000, 0.0001309100000000 ] - [ 0.0006702300000000, -0.0007111300000000, 0.0004534900000000 ] - [ 0.0004088400000000, -0.0009904000000000, -0.0021711700000000 ] - [ -0.0002487300000000, -0.0001168000000000, 0.0016275000000000 ] - [ -0.0001490000000000, 0.0002698700000000, 0.0000252500000000 ] - [ 0.0000199900000000, 0.0000069600000000, 0.0000646100000000 ] - [ -0.0001027300000000, -0.0000119400000000, -0.0000122500000000 ] - [ 0.0000732600000000, -0.0002083000000000, -0.0000032500000000 ] - [ 0.0006900000000000, 0.0000700800000000, -0.0001469300000000 ] - [ 0.0000874000000000, 0.0000781600000000, -0.0000579900000000 ] - [ -0.0000002900000000, -0.0000086900000000, 0.0000694300000000 ] - [ -0.0000044100000000, 0.0000088700000000, -0.0002571500000000 ] - [ 0.0000999800000000, 0.0000151000000000, 0.0000170700000000 ] - [ -0.0001162900000000, -0.0000184300000000, -0.0000536400000000 ] - [ -0.0000957900000000, 0.0019758100000000, -0.0006104000000000 ] - [ -0.0073920200000000, -0.0009755300000000, 0.0108494000000000 ] - [ -0.0000158000000000, -0.0000413600000000, -0.0001712400000000 ] - [ -0.0971061300000000, 0.1475288900000000, 0.0004242900000000 ] - [ 0.0000098500000000, 0.0000067600000000, -0.0002575800000000 ] - [ -0.0000675300000000, -0.0000635400000000, 0.0005163800000000 ] - [ 0.0002548100000000, -0.0002117900000000, -0.0001757900000000 ] - [ -0.0001122900000000, 0.0000300000000000, -0.0000599000000000 ] - [ -0.0000076700000000, 0.0000003500000000, 0.0001632100000000 ] - [ -0.0001703000000000, -0.0003921200000000, -0.0000499900000000 ] - [ -0.0016911000000000, -0.0003524800000000, -0.0015119000000000 ] - [ -0.0002060000000000, 0.0003516700000000, 0.0001666300000000 ] - [ -0.0002810000000000, 0.0003953900000000, -0.0001464600000000 ] - [ -0.0014903700000000, 0.0045808900000000, 0.0003796600000000 ] - [ -0.0028022800000000, -0.0016182700000000, 0.0004085500000000 ] - [ 0.0156355500000000, -0.0079184600000000, 0.0010637700000000 ] - [ -0.0003039900000000, -0.0002376000000000, -0.0001517300000000 ] - [ 0.0010637600000000, -0.0019343600000000, 0.0030125600000000 ] - [ -0.0002681700000000, -0.0001611300000000, 0.0001749200000000 ] - [ 0.0000298200000000, -0.0001123200000000, -0.0000577200000000 ] - [ 0.0037816400000000, 0.0074977300000000, 0.0156845300000000 ] - [ 0.0005000100000000, 0.0000357000000000, -0.0000980100000000 ] - [ -0.0003578400000000, 0.0006624500000000, -0.0001647300000000 ] - [ 0.0000839800000000, -0.0000398300000000, 0.0002974800000000 ] - [ -0.0001342700000000, 0.0002507200000000, 0.0002547000000000 ] - [ -0.0009704200000000, -0.0006089300000000, -0.0001975100000000 ] - [ -0.0000410700000000, -0.0000346700000000, -0.0001669300000000 ] - [ 0.0022262600000000, -0.0036643000000000, -0.0000012000000000 ] - [ -0.0001536100000000, -0.0002720000000000, 0.0000166400000000 ] - [ 0.0014253200000000, 0.0023714400000000, -0.0020146100000000 ] - [ -0.0000805200000000, 0.0003668600000000, -0.0000128100000000 ] - [ -0.0000790900000000, 0.0000858000000000, 0.0000067100000000 ] - [ -0.0018351800000000, 0.0010196300000000, -0.0002302900000000 ] - [ 0.0000038100000000, -0.0000061200000000, 0.0001838100000000 ] - [ 0.0000753300000000, -0.0000912600000000, -0.0000546600000000 ] - [ 0.0195691400000000, -0.0074775400000000, -0.0014104900000000 ] - [ 0.0007777400000000, 0.0000475400000000, -0.0001535800000000 ] - [ -0.0002566400000000, -0.0001606200000000, 0.0004079100000000 ] - [ -0.0003833100000000, -0.0004329500000000, 0.0008059300000000 ] - [ 0.0000447900000000, -0.0000091100000000, -0.0001738000000000 ] - [ -0.0004373400000000, -0.0020848000000000, 0.0010204400000000 ] - [ 0.0001898200000000, -0.0008335200000000, 0.0003204400000000 ] - [ 0.0000110200000000, -0.0000350200000000, 0.0000071400000000 ] - [ -0.0000028100000000, 0.0001725200000000, -0.0000743600000000 ] - [ -0.0000471800000000, -0.0001750500000000, -0.0007880200000000 ] - [ -0.0002011700000000, -0.0003490000000000, 0.0001698200000000 ] - [ 0.0004086500000000, -0.0000016700000000, 0.0001664800000000 ] - [ 0.0000989000000000, -0.0000348600000000, 0.0000076900000000 ] - [ 0.0016615400000000, -0.0005301300000000, 0.0007106700000000 ] - [ 0.0000234900000000, -0.0002778600000000, 0.0000031500000000 ] - [ 0.0020801100000000, -0.0021647600000000, -0.0007716900000000 ] - [ -0.0001431300000000, 0.0000821000000000, -0.0008166900000000 ] - [ 0.0000740000000000, -0.0000053700000000, 0.0003431400000000 ] - [ -0.0001420600000000, -0.0004128500000000, -0.0002253000000000 ] - [ 0.0000360100000000, 0.0001126300000000, -0.0000548000000000 ] - [ -0.0000711200000000, -0.0001461700000000, -0.0001326900000000 ] - [ 0.0029198300000000, -0.0047947000000000, -0.0002672400000000 ] - [ 0.0003122600000000, 0.0000191300000000, 0.0000230500000000 ] - [ -0.0003367800000000, 0.0003033400000000, -0.0002088800000000 ] - [ 0.0011075100000000, 0.0012188100000000, -0.0013796900000000 ] - [ -0.0001155400000000, 0.0001627600000000, 0.0000922300000000 ] - [ -0.0039643400000000, -0.0211307600000000, -0.0010068200000000 ] - [ -0.0000694000000000, -0.0000809200000000, 0.0000125600000000 ] - [ 0.0005292600000000, -0.0027960700000000, -0.0008958100000000 ] - [ -0.0000229100000000, 0.0000452600000000, -0.0001678800000000 ] - [ -0.0000357000000000, 0.0002010100000000, -0.0001962100000000 ] - [ 0.0014198100000000, -0.0033923700000000, -0.0000434800000000 ]- atom: 111 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018051900000000, 0.0029554800000000, -0.0006101700000000 ] - [ 0.0000189700000000, -0.0000314600000000, -0.0014828300000000 ] - [ -0.0029264600000000, 0.0000000000000000, -0.0008466500000000 ] - [ -0.0035926800000000, 0.0000000000000000, -0.0006189000000000 ] - [ 0.0018051900000000, -0.0029554800000000, -0.0006101700000000 ] - [ 0.0000189700000000, 0.0000314600000000, -0.0014828300000000 ] - [ 0.0000456400000000, 0.0000000000000000, -0.0013187600000000 ] - [ -0.0022434900000000, -0.0039183200000000, 0.0036695200000000 ] - [ 0.0002548900000000, 0.0006932200000000, -0.0023489300000000 ] - [ 0.0041621700000000, 0.0000000000000000, 0.0030583600000000 ] - [ -0.0003488400000000, 0.0002346900000000, 0.0047732800000000 ] - [ -0.0000399900000000, 0.0000647800000000, -0.0010123400000000 ] - [ 0.0004219400000000, 0.0000000000000000, -0.0007490700000000 ] - [ 0.0029491300000000, 0.0057302800000000, 0.0015029600000000 ] - [ 0.0001043100000000, -0.0000914200000000, -0.0010728700000000 ] - [ 0.0003173700000000, 0.0005731800000000, -0.0015371700000000 ] - [ 0.0004348200000000, 0.0001096700000000, -0.0009993200000000 ] - [ 0.0000357800000000, -0.0000633700000000, -0.0015392000000000 ] - [ 0.0002548900000000, -0.0006932200000000, -0.0023489300000000 ] - [ -0.0009322700000000, 0.0021313600000000, 0.0007660200000000 ] - [ 0.0002516100000000, 0.0001087700000000, -0.0012281200000000 ] - [ 0.0003041900000000, -0.0006656600000000, 0.0047054600000000 ] - [ -0.0000312400000000, 0.0002753100000000, -0.0012297000000000 ] - [ 0.0000427600000000, -0.0005705200000000, -0.0009473800000000 ] - [ 0.0000302500000000, -0.0000566100000000, 0.0015193800000000 ] - [ -0.0001839900000000, -0.0004633400000000, -0.0009720400000000 ] - [ -0.0002288200000000, -0.0003990700000000, -0.0013999100000000 ] - [ -0.0000622600000000, 0.0000000000000000, -0.0015460000000000 ] - [ 0.0019566800000000, 0.0000000000000000, -0.0081061700000000 ] - [ 0.0000023600000000, 0.0006009700000000, 0.0048285100000000 ] - [ -0.0000500900000000, -0.0000982400000000, -0.0015752000000000 ] - [ -0.0009322700000000, -0.0021313600000000, 0.0007660200000000 ] - [ -0.0003488400000000, -0.0002346900000000, 0.0047732800000000 ] - [ 0.0004348200000000, -0.0001096700000000, -0.0009993200000000 ] - [ -0.0002776800000000, 0.0000000000000000, -0.0014525300000000 ] - [ 0.0000645500000000, 0.0000000000000000, -0.0010599700000000 ] - [ -0.0001839900000000, 0.0004633400000000, -0.0009720400000000 ] - [ 0.0141480700000000, -0.0204742100000000, 0.0428042000000000 ] - [ -0.0000500900000000, 0.0000982400000000, -0.0015752000000000 ] - [ 0.0003173700000000, -0.0005731800000000, -0.0015371700000000 ] - [ -0.0000991400000000, 0.0001358700000000, -0.0013677000000000 ] - [ 0.0001043100000000, 0.0000914200000000, -0.0010728700000000 ] - [ 0.0002516100000000, -0.0001087700000000, -0.0012281200000000 ] - [ 0.0020804400000000, 0.0000000000000000, 0.0004446000000000 ] - [ -0.0000909600000000, 0.0000729800000000, -0.0010756300000000 ] - [ 0.0000272200000000, -0.0000110500000000, -0.0015377700000000 ] - [ 0.0000427600000000, 0.0005705200000000, -0.0009473800000000 ] - [ -0.0002302400000000, 0.0001524300000000, -0.0012563500000000 ] - [ 0.0000023600000000, -0.0006009700000000, 0.0048285100000000 ] - [ -0.0002288200000000, 0.0003990700000000, -0.0013999100000000 ] - [ -0.0000545400000000, 0.0002119900000000, -0.0009825500000000 ] - [ 0.0000538000000000, 0.0000000000000000, -0.0010159400000000 ] - [ 0.0000707800000000, -0.0001248700000000, -0.0015860300000000 ] - [ 0.0000302500000000, 0.0000566100000000, 0.0015193800000000 ] - [ -0.0000991400000000, -0.0001358700000000, -0.0013677000000000 ] - [ 0.0029491300000000, -0.0057302800000000, 0.0015029600000000 ] - [ 0.0141480700000000, 0.0204742100000000, 0.0428042000000000 ] - [ 0.0000357800000000, 0.0000633700000000, -0.0015392000000000 ] - [ 0.0000707800000000, 0.0001248700000000, -0.0015860300000000 ] - [ -0.0000909600000000, -0.0000729800000000, -0.0010756300000000 ] - [ -0.0311594500000000, 0.0000000000000000, 0.0437451000000000 ] - [ -0.0000911700000000, 0.0000000000000000, -0.0017309100000000 ] - [ 0.0000272200000000, 0.0000110500000000, -0.0015377700000000 ] - [ -0.0001323200000000, 0.0000000000000000, -0.0015972500000000 ] - [ -0.0000545400000000, -0.0002119900000000, -0.0009825500000000 ] - [ -0.0002302400000000, -0.0001524300000000, -0.0012563500000000 ] - [ -0.0000312400000000, -0.0002753100000000, -0.0012297000000000 ] - [ -0.0001834500000000, 0.0000000000000000, -0.0016820400000000 ] - [ 0.0003041900000000, 0.0006656600000000, 0.0047054600000000 ] - [ -0.0000399900000000, -0.0000647800000000, -0.0010123400000000 ] - [ -0.0022434900000000, 0.0039183200000000, 0.0036695200000000 ] - [ 0.0002204900000000, 0.0000031100000000, 0.0005235300000000 ] - [ 0.0009998700000000, 0.0018856900000000, -0.0034840500000000 ] - [ -0.0000625400000000, -0.0003285600000000, 0.0008793400000000 ] - [ -0.0000526500000000, 0.0000878300000000, 0.0007304700000000 ] - [ 0.0000939600000000, 0.0001613400000000, 0.0005588100000000 ] - [ -0.0098910300000000, 0.0162975500000000, 0.0153879900000000 ] - [ -0.0000894200000000, 0.0001189100000000, 0.0007835100000000 ] - [ 0.0000739500000000, -0.0000662700000000, 0.0007550600000000 ] - [ 0.0001179200000000, 0.0001686200000000, 0.0011729300000000 ] - [ -0.0002333900000000, 0.0000000000000000, 0.0011960300000000 ] - [ 0.0000377600000000, 0.0001363200000000, 0.0006084900000000 ] - [ 0.0001506600000000, 0.0001894300000000, 0.0010681300000000 ] - [ 0.0001474300000000, -0.0000148100000000, 0.0005393600000000 ] - [ -0.0006555100000000, 0.0052580800000000, -0.0056829000000000 ] - [ -0.0002182800000000, 0.0004147300000000, -0.0000789700000000 ] - [ 0.0044750100000000, 0.0018882600000000, -0.0056843000000000 ] - [ -0.0000894200000000, -0.0001189100000000, 0.0007835100000000 ] - [ 0.0001197800000000, 0.0000000000000000, 0.0007731100000000 ] - [ -0.0000084000000000, 0.0000000000000000, -0.0021423700000000 ] - [ 0.0009998700000000, -0.0018856900000000, -0.0034840500000000 ] - [ 0.0000857100000000, 0.0001275400000000, 0.0006516600000000 ] - [ -0.0000190900000000, 0.0000000000000000, 0.0013742600000000 ] - [ -0.0002182800000000, -0.0004147300000000, -0.0000789700000000 ] - [ 0.0004236700000000, -0.0002863400000000, -0.0000737800000000 ] - [ -0.0006691400000000, 0.0012776900000000, 0.0013839300000000 ] - [ 0.0002873900000000, -0.0014753400000000, 0.0023027000000000 ] - [ -0.0001417600000000, 0.0002574100000000, 0.0010726900000000 ] - [ 0.0000169500000000, 0.0000569100000000, 0.0008667500000000 ] - [ -0.0000971300000000, 0.0000176200000000, 0.0007525600000000 ] - [ 0.0001179200000000, -0.0001686200000000, 0.0011729300000000 ] - [ 0.0003646600000000, 0.0004601700000000, -0.0025365400000000 ] - [ 0.0001508300000000, -0.0000307200000000, 0.0008434600000000 ] - [ 0.0001738500000000, -0.0003039900000000, 0.0009868600000000 ] - [ 0.0000939600000000, -0.0001613400000000, 0.0005588100000000 ] - [ 0.0000739500000000, 0.0000662700000000, 0.0007550600000000 ] - [ -0.0000463600000000, -0.0001432600000000, 0.0008481600000000 ] - [ -0.0006904900000000, 0.0000000000000000, 0.0021580400000000 ] - [ -0.0098910300000000, -0.0162975500000000, 0.0153879900000000 ] - [ -0.0001319900000000, 0.0000355300000000, 0.0006084500000000 ] - [ -0.0026512300000000, 0.0000000000000000, -0.1541776800000000 ] - [ -0.0001948000000000, 0.0000000000000000, 0.0005860600000000 ] - [ 0.0000087300000000, -0.0001141500000000, 0.0013740800000000 ] - [ -0.0000625400000000, 0.0003285600000000, 0.0008793400000000 ] - [ -0.0000463600000000, 0.0001432600000000, 0.0008481600000000 ] - [ 0.0000114000000000, 0.0000215600000000, 0.0011768700000000 ] - [ -0.0000864600000000, -0.0004435700000000, 0.0005304000000000 ] - [ 0.0008610800000000, 0.0015225100000000, -0.0000492400000000 ] - [ -0.0001985700000000, 0.0003629800000000, 0.0008098100000000 ] - [ -0.0000864600000000, 0.0004435700000000, 0.0005304000000000 ] - [ -0.0040255500000000, -0.0026259200000000, -0.0054097400000000 ] - [ 0.0002812200000000, 0.0002135800000000, -0.0021717600000000 ] - [ -0.0040255500000000, 0.0026259200000000, -0.0054097400000000 ] - [ -0.0000733600000000, 0.0004362700000000, -0.0000321900000000 ] - [ 0.0008610800000000, -0.0015225100000000, -0.0000492400000000 ] - [ 0.0004236700000000, 0.0002863400000000, -0.0000737800000000 ] - [ -0.0000997000000000, -0.0001175000000000, 0.0008469200000000 ] - [ 0.0223569500000000, 0.0000000000000000, 0.0255823100000000 ] - [ 0.0004705400000000, 0.0000000000000000, 0.0005090700000000 ] - [ -0.0003735100000000, 0.0000341400000000, 0.0005184200000000 ] - [ 0.0000087300000000, 0.0001141500000000, 0.0013740800000000 ] - [ 0.0002503400000000, 0.0000000000000000, 0.0014611700000000 ] - [ -0.0013341700000000, -0.0004442400000000, -0.0022592400000000 ] - [ 0.0000857100000000, -0.0001275400000000, 0.0006516600000000 ] - [ -0.0000193700000000, -0.0000828400000000, -0.0020865100000000 ] - [ -0.0001417600000000, -0.0002574100000000, 0.0010726900000000 ] - [ -0.0023154800000000, 0.0000000000000000, -0.0035332000000000 ] - [ 0.0001408700000000, 0.0000000000000000, 0.0018441900000000 ] - [ -0.0002983400000000, 0.0000000000000000, 0.0011890100000000 ] - [ 0.0002873900000000, 0.0014753400000000, 0.0023027000000000 ] - [ 0.0000114000000000, -0.0000215600000000, 0.0011768700000000 ] - [ 0.0001508300000000, 0.0000307200000000, 0.0008434600000000 ] - [ 0.0044750100000000, -0.0018882600000000, -0.0056843000000000 ] - [ 0.0002554300000000, 0.0000000000000000, 0.0005545400000000 ] - [ -0.0001195000000000, -0.0004378600000000, 0.0005191200000000 ] - [ -0.0006691400000000, -0.0012776900000000, 0.0013839300000000 ] - [ 0.0000377600000000, -0.0001363200000000, 0.0006084900000000 ] - [ 0.0002833800000000, -0.0013279200000000, -0.0022692300000000 ] - [ -0.0000733600000000, -0.0004362700000000, -0.0000321900000000 ] - [ -0.0000523300000000, 0.0000955600000000, 0.0004943600000000 ] - [ 0.0001738500000000, 0.0003039900000000, 0.0009868600000000 ] - [ -0.0003735100000000, -0.0000341400000000, 0.0005184200000000 ] - [ -0.0001985700000000, -0.0003629800000000, 0.0008098100000000 ] - [ 0.0004075000000000, 0.0000000000000000, 0.0008006800000000 ] - [ 0.0000169500000000, -0.0000569100000000, 0.0008667500000000 ] - [ 0.0003646600000000, -0.0004601700000000, -0.0025365400000000 ] - [ -0.0000523300000000, -0.0000955600000000, 0.0004943600000000 ] - [ -0.0013341700000000, 0.0004442400000000, -0.0022592400000000 ] - [ -0.0001195000000000, 0.0004378600000000, 0.0005191200000000 ] - [ 0.0001506600000000, -0.0001894300000000, 0.0010681300000000 ] - [ 0.0001474300000000, 0.0000148100000000, 0.0005393600000000 ] - [ -0.0000997000000000, 0.0001175000000000, 0.0008469200000000 ] - [ -0.0000526500000000, -0.0000878300000000, 0.0007304700000000 ] - [ 0.0002812200000000, -0.0002135800000000, -0.0021717600000000 ] - [ 0.0003503300000000, 0.0000000000000000, 0.0011937400000000 ] - [ 0.0002204900000000, -0.0000031100000000, 0.0005235300000000 ] - [ -0.0016368800000000, 0.0000000000000000, -0.0000845600000000 ] - [ -0.0004233800000000, -0.0000352800000000, 0.0010114000000000 ] - [ -0.0006555100000000, -0.0052580800000000, -0.0056829000000000 ] - [ -0.0000971300000000, -0.0000176200000000, 0.0007525600000000 ] - [ 0.0002833800000000, 0.0013279200000000, -0.0022692300000000 ] - [ -0.0001319900000000, -0.0000355300000000, 0.0006084500000000 ] - [ -0.0004233800000000, 0.0000352800000000, 0.0010114000000000 ] - [ -0.0000193700000000, 0.0000828400000000, -0.0020865100000000 ]- atom: 111 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017345900000000, -0.0030368800000000, 0.0006277300000000 ] - [ -0.0000188600000000, 0.0000314200000000, 0.0014819000000000 ] - [ 0.0029330100000000, 0.0000000000000000, 0.0012440100000000 ] - [ 0.0034522900000000, 0.0000000000000000, 0.0006341500000000 ] - [ -0.0017345900000000, 0.0030368800000000, 0.0006277300000000 ] - [ -0.0000188600000000, -0.0000314200000000, 0.0014819000000000 ] - [ -0.0000451600000000, 0.0000000000000000, 0.0009146400000000 ] - [ 0.0022410900000000, 0.0039127600000000, -0.0032959000000000 ] - [ -0.0005741500000000, -0.0002761700000000, 0.0021529600000000 ] - [ -0.0041601400000000, 0.0000000000000000, -0.0038695300000000 ] - [ 0.0005034000000000, -0.0000412500000000, -0.0047167700000000 ] - [ 0.0000214800000000, -0.0000262700000000, 0.0014372100000000 ] - [ -0.0004193100000000, 0.0000000000000000, 0.0015951600000000 ] - [ -0.0029480600000000, -0.0057362300000000, -0.0008962400000000 ] - [ -0.0003471100000000, 0.0000667800000000, 0.0009930800000000 ] - [ -0.0002157400000000, -0.0003412700000000, 0.0014524700000000 ] - [ -0.0006389400000000, 0.0003765500000000, 0.0008006300000000 ] - [ 0.0000318500000000, -0.0000529100000000, 0.0009126300000000 ] - [ -0.0005741500000000, 0.0002761700000000, 0.0021529600000000 ] - [ 0.0010113000000000, -0.0019975900000000, -0.0001220100000000 ] - [ 0.0002689700000000, -0.0000397900000000, 0.0014254200000000 ] - [ -0.0005921800000000, 0.0001960000000000, -0.0048312200000000 ] - [ -0.0001705400000000, 0.0002099500000000, 0.0014262300000000 ] - [ 0.0004791600000000, 0.0005039200000000, 0.0007473800000000 ] - [ 0.0000368700000000, 0.0001739000000000, -0.0009030400000000 ] - [ -0.0000947000000000, -0.0000204000000000, 0.0010712400000000 ] - [ 0.0002239000000000, 0.0003970300000000, 0.0010637100000000 ] - [ -0.0000974400000000, 0.0000000000000000, 0.0008914400000000 ] - [ -0.0020880600000000, 0.0000000000000000, 0.0087324900000000 ] - [ -0.0002516300000000, -0.0005880100000000, -0.0047729200000000 ] - [ 0.0000517200000000, 0.0000978000000000, 0.0009488100000000 ] - [ 0.0010113000000000, 0.0019975900000000, -0.0001220100000000 ] - [ 0.0005034000000000, 0.0000412500000000, -0.0047167700000000 ] - [ -0.0006389400000000, -0.0003765500000000, 0.0008006300000000 ] - [ 0.0008305900000000, 0.0000000000000000, 0.0015481800000000 ] - [ -0.0000203400000000, 0.0000000000000000, 0.0014864600000000 ] - [ -0.0000947000000000, 0.0000204000000000, 0.0010712400000000 ] - [ -0.0147306700000000, 0.0213173500000000, -0.0430313100000000 ] - [ 0.0000517200000000, -0.0000978000000000, 0.0009488100000000 ] - [ -0.0002157400000000, 0.0003412700000000, 0.0014524700000000 ] - [ 0.0000814100000000, -0.0000989100000000, 0.0009415900000000 ] - [ -0.0003471100000000, -0.0000667800000000, 0.0009930800000000 ] - [ 0.0002689700000000, 0.0000397900000000, 0.0014254200000000 ] - [ -0.0022452200000000, 0.0000000000000000, 0.0002020300000000 ] - [ 0.0002333700000000, -0.0002684200000000, 0.0009949800000000 ] - [ 0.0000496600000000, 0.0001489100000000, 0.0008841300000000 ] - [ 0.0004791600000000, -0.0005039200000000, 0.0007473800000000 ] - [ -0.0000904200000000, 0.0002637800000000, 0.0014528200000000 ] - [ -0.0002516300000000, 0.0005880100000000, -0.0047729200000000 ] - [ 0.0002239000000000, -0.0003970300000000, 0.0010637100000000 ] - [ 0.0001497500000000, -0.0000478400000000, 0.0015481600000000 ] - [ -0.0002442300000000, 0.0000000000000000, 0.0015818300000000 ] - [ 0.0000247900000000, -0.0000398600000000, 0.0010185000000000 ] - [ 0.0000368700000000, -0.0001739000000000, -0.0009030400000000 ] - [ 0.0000814100000000, 0.0000989100000000, 0.0009415900000000 ] - [ -0.0029480700000000, 0.0057362300000000, -0.0008962400000000 ] - [ -0.0147306700000000, -0.0213173500000000, -0.0430313100000000 ] - [ 0.0000318500000000, 0.0000529100000000, 0.0009126300000000 ] - [ 0.0000247900000000, 0.0000398600000000, 0.0010185000000000 ] - [ 0.0002333700000000, 0.0002684200000000, 0.0009949800000000 ] - [ 0.0330535100000000, 0.0000000000000000, -0.0440847500000000 ] - [ -0.0000435900000000, 0.0000000000000000, 0.0011026700000000 ] - [ 0.0000496600000000, -0.0001489100000000, 0.0008841300000000 ] - [ -0.0000582900000000, 0.0000000000000000, 0.0010298300000000 ] - [ 0.0001497500000000, 0.0000478400000000, 0.0015481600000000 ] - [ -0.0000904200000000, -0.0002637800000000, 0.0014528200000000 ] - [ -0.0001705400000000, -0.0002099500000000, 0.0014262300000000 ] - [ 0.0002278700000000, 0.0000000000000000, 0.0012545300000000 ] - [ -0.0005921800000000, -0.0001960000000000, -0.0048312200000000 ] - [ 0.0000214800000000, 0.0000262700000000, 0.0014372100000000 ] - [ 0.0022410900000000, -0.0039127600000000, -0.0032959000000000 ] - [ -0.0004333700000000, 0.0001054700000000, -0.0009381600000000 ] - [ -0.0009374300000000, -0.0019931500000000, 0.0026299900000000 ] - [ 0.0002211900000000, 0.0001533000000000, -0.0007493600000000 ] - [ -0.0000949300000000, 0.0001682000000000, -0.0009949500000000 ] - [ -0.0001113900000000, -0.0001914600000000, -0.0010967600000000 ] - [ 0.0101336600000000, -0.0167293100000000, -0.0155569700000000 ] - [ 0.0000730700000000, -0.0000887100000000, -0.0002442200000000 ] - [ 0.0000360500000000, -0.0001125400000000, -0.0008231900000000 ] - [ 0.0001016100000000, 0.0002140800000000, -0.0011722700000000 ] - [ -0.0002142300000000, 0.0000000000000000, -0.0011947600000000 ] - [ 0.0000782400000000, -0.0001396100000000, -0.0009788100000000 ] - [ -0.0000769000000000, -0.0004158500000000, -0.0009391000000000 ] - [ 0.0000547900000000, 0.0001485300000000, -0.0009558800000000 ] - [ 0.0006716600000000, -0.0050807800000000, 0.0060818600000000 ] - [ 0.0001666600000000, -0.0003142800000000, 0.0004525600000000 ] - [ -0.0047293800000000, -0.0020200400000000, 0.0060848500000000 ] - [ 0.0000730700000000, 0.0000887100000000, -0.0002442200000000 ] - [ 0.0001760900000000, 0.0000000000000000, -0.0010375200000000 ] - [ 0.0007054400000000, 0.0000000000000000, 0.0025075900000000 ] - [ -0.0009374300000000, 0.0019931500000000, 0.0026299900000000 ] - [ -0.0001476900000000, -0.0000318800000000, -0.0010202800000000 ] - [ -0.0001079900000000, 0.0000000000000000, -0.0005038000000000 ] - [ 0.0001666600000000, 0.0003142800000000, 0.0004525600000000 ] - [ -0.0003076700000000, 0.0002840600000000, 0.0004491700000000 ] - [ 0.0006724800000000, -0.0012845100000000, -0.0017115600000000 ] - [ -0.0003503100000000, 0.0015716200000000, -0.0019304500000000 ] - [ -0.0001794200000000, 0.0003023400000000, -0.0010729100000000 ] - [ 0.0000129600000000, -0.0000060100000000, -0.0007824900000000 ] - [ -0.0001149400000000, -0.0000224600000000, -0.0008199600000000 ] - [ 0.0001016100000000, -0.0002140800000000, -0.0011722700000000 ] - [ -0.0003354800000000, -0.0004108500000000, 0.0024636700000000 ] - [ 0.0000086700000000, 0.0002077000000000, -0.0009728800000000 ] - [ -0.0000716800000000, 0.0001166900000000, -0.0010528800000000 ] - [ -0.0001113900000000, 0.0001914600000000, -0.0010967600000000 ] - [ 0.0000360500000000, 0.0001125400000000, -0.0008231900000000 ] - [ -0.0001843600000000, 0.0000948300000000, -0.0009767800000000 ] - [ 0.0009866300000000, 0.0000000000000000, -0.0018926500000000 ] - [ 0.0101336600000000, 0.0167293100000000, -0.0155569700000000 ] - [ 0.0000801000000000, -0.0001373100000000, -0.0009783900000000 ] - [ 0.0030681700000000, 0.0000000000000000, 0.1559867900000000 ] - [ 0.0002284900000000, 0.0000000000000000, -0.0011233000000000 ] - [ 0.0000520300000000, 0.0000055300000000, -0.0005039900000000 ] - [ 0.0002211900000000, -0.0001533000000000, -0.0007493600000000 ] - [ -0.0001843600000000, -0.0000948300000000, -0.0009767800000000 ] - [ -0.0000106700000000, -0.0000206000000000, -0.0008567100000000 ] - [ -0.0003203500000000, -0.0002530200000000, -0.0008484400000000 ] - [ -0.0008560700000000, -0.0015111000000000, 0.0000369800000000 ] - [ -0.0002081400000000, 0.0003337300000000, -0.0004914700000000 ] - [ -0.0003203500000000, 0.0002530200000000, -0.0008484400000000 ] - [ 0.0037203900000000, 0.0032511200000000, 0.0057601200000000 ] - [ -0.0000792100000000, -0.0003459900000000, 0.0025857200000000 ] - [ 0.0037203900000000, -0.0032511200000000, 0.0057601200000000 ] - [ -0.0000744700000000, -0.0001801200000000, 0.0003011400000000 ] - [ -0.0008560700000000, 0.0015111000000000, 0.0000369800000000 ] - [ -0.0003076700000000, -0.0002840600000000, 0.0004491700000000 ] - [ 0.0001735100000000, -0.0001089800000000, -0.0009751500000000 ] - [ -0.0228529800000000, 0.0000000000000000, -0.0260420700000000 ] - [ 0.0003344700000000, 0.0000000000000000, -0.0008270400000000 ] - [ 0.0000256300000000, 0.0005679100000000, -0.0008865600000000 ] - [ 0.0000520300000000, -0.0000055300000000, -0.0005039900000000 ] - [ -0.0002138200000000, 0.0000000000000000, -0.0009213300000000 ] - [ 0.0011278200000000, 0.0004422000000000, 0.0023372900000000 ] - [ -0.0001476900000000, 0.0000318800000000, -0.0010202800000000 ] - [ -0.0001119100000000, -0.0001449100000000, 0.0021082800000000 ] - [ -0.0001794200000000, -0.0003023400000000, -0.0010729100000000 ] - [ 0.0021908300000000, 0.0000000000000000, 0.0026782600000000 ] - [ 0.0001173200000000, 0.0000000000000000, -0.0018478200000000 ] - [ 0.0002391400000000, 0.0000000000000000, -0.0011026600000000 ] - [ -0.0003503100000000, -0.0015716200000000, -0.0019304500000000 ] - [ -0.0000106700000000, 0.0000206000000000, -0.0008567100000000 ] - [ 0.0000086700000000, -0.0002077000000000, -0.0009728800000000 ] - [ -0.0047293800000000, 0.0020200400000000, 0.0060848500000000 ] - [ 0.0004419400000000, 0.0000000000000000, -0.0009236000000000 ] - [ 0.0001361800000000, 0.0001939700000000, -0.0009369900000000 ] - [ 0.0006724800000000, 0.0012845100000000, -0.0017115600000000 ] - [ 0.0000782400000000, 0.0001396100000000, -0.0009788100000000 ] - [ -0.0001759500000000, 0.0011539300000000, 0.0023486700000000 ] - [ -0.0000744700000000, 0.0001801200000000, 0.0003011400000000 ] - [ -0.0000780600000000, 0.0001288600000000, -0.0005090300000000 ] - [ -0.0000716800000000, -0.0001166900000000, -0.0010528800000000 ] - [ 0.0000256300000000, -0.0005679100000000, -0.0008865600000000 ] - [ -0.0002081400000000, -0.0003337300000000, -0.0004914700000000 ] - [ 0.0003990200000000, 0.0000000000000000, -0.0004836200000000 ] - [ 0.0000129600000000, 0.0000060100000000, -0.0007824900000000 ] - [ -0.0003354800000000, 0.0004108500000000, 0.0024636700000000 ] - [ -0.0000780600000000, -0.0001288600000000, -0.0005090300000000 ] - [ 0.0011278200000000, -0.0004422000000000, 0.0023372900000000 ] - [ 0.0001361800000000, -0.0001939700000000, -0.0009369900000000 ] - [ -0.0000769000000000, 0.0004158500000000, -0.0009391000000000 ] - [ 0.0000547900000000, -0.0001485300000000, -0.0009558800000000 ] - [ 0.0001735100000000, 0.0001089800000000, -0.0009751500000000 ] - [ -0.0000949300000000, -0.0001682000000000, -0.0009949500000000 ] - [ -0.0000792100000000, 0.0003459900000000, 0.0025857200000000 ] - [ 0.0003014200000000, 0.0000000000000000, -0.0011944800000000 ] - [ -0.0004333700000000, -0.0001054700000000, -0.0009381600000000 ] - [ 0.0016251300000000, 0.0000000000000000, 0.0000720100000000 ] - [ 0.0001916600000000, -0.0000140200000000, -0.0008824300000000 ] - [ 0.0006716600000000, 0.0050807800000000, 0.0060818600000000 ] - [ -0.0001149400000000, 0.0000224600000000, -0.0008199600000000 ] - [ -0.0001759500000000, -0.0011539300000000, 0.0023486700000000 ] - [ 0.0000801000000000, 0.0001373100000000, -0.0009783900000000 ] - [ 0.0001916600000000, 0.0000140200000000, -0.0008824300000000 ] - [ -0.0001119100000000, 0.0001449100000000, 0.0021082800000000 ]- atom: 117 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000278500000000, -0.0000413600000000, -0.0000062700000000 ] - [ 0.0003417800000000, 0.0010411600000000, -0.0002701500000000 ] - [ 0.0022769700000000, -0.0011388100000000, 0.0026086300000000 ] - [ -0.0000802700000000, -0.0000012900000000, -0.0000062700000000 ] - [ 0.0000510800000000, 0.0000452400000000, -0.0000239600000000 ] - [ -0.0042421900000000, -0.0003184400000000, 0.0017216800000000 ] - [ 0.0002297700000000, -0.0000928400000000, -0.0002832000000000 ] - [ -0.0000835700000000, -0.0000426100000000, 0.0001076300000000 ] - [ -0.0083257500000000, 0.0004171100000000, -0.0061637700000000 ] - [ 0.0000786500000000, -0.0000125200000000, -0.0003898000000000 ] - [ -0.0001650800000000, 0.0000236800000000, 0.0002984800000000 ] - [ 0.0030653000000000, -0.0020708300000000, -0.0072742900000000 ] - [ 0.0000073300000000, -0.0000036200000000, 0.0004178300000000 ] - [ -0.0008043300000000, -0.0003454800000000, -0.0005320800000000 ] - [ -0.0000933700000000, -0.0000083000000000, -0.0000660000000000 ] - [ 0.0000584500000000, 0.0001291200000000, -0.0000269800000000 ] - [ 0.0002154200000000, -0.0006554500000000, 0.0003394500000000 ] - [ 0.0000886400000000, -0.0000174500000000, -0.0005490900000000 ] - [ -0.0027528000000000, 0.0057357500000000, -0.0029999600000000 ] - [ 0.0031110500000000, -0.0014124700000000, -0.0012496400000000 ] - [ -0.0000013200000000, -0.0002954500000000, 0.0003216500000000 ] - [ -0.0000620300000000, -0.0003782400000000, -0.0001909800000000 ] - [ -0.0001963300000000, -0.0000903500000000, 0.0001814300000000 ] - [ 0.0032375100000000, 0.0067122600000000, 0.0032965300000000 ] - [ -0.0000970400000000, -0.0008275700000000, 0.0000977600000000 ] - [ -0.0001327700000000, -0.0002479300000000, 0.0000524600000000 ] - [ -0.0000141700000000, -0.0000017700000000, -0.0001836700000000 ] - [ -0.0002917000000000, -0.0001160600000000, -0.0004363100000000 ] - [ -0.0002964800000000, 0.0012870700000000, -0.0015895100000000 ] - [ -0.0000956300000000, -0.0001777000000000, 0.0000597200000000 ] - [ -0.0000800200000000, -0.0000074300000000, -0.0002904200000000 ] - [ -0.0001227900000000, 0.0011845900000000, 0.0003778900000000 ] - [ -0.0000769500000000, -0.0001458600000000, 0.0001534600000000 ] - [ -0.0080297000000000, -0.0003662100000000, 0.0036143600000000 ] - [ 0.0002463700000000, -0.0000016800000000, 0.0000580800000000 ] - [ 0.0030689900000000, -0.0007820700000000, 0.0054006300000000 ] - [ -0.0001465800000000, 0.0002654100000000, 0.0000212700000000 ] - [ 0.0002864400000000, -0.0001263800000000, -0.0003365200000000 ] - [ -0.0000019100000000, 0.0000579100000000, -0.0002887700000000 ] - [ 0.0000611500000000, -0.0001208900000000, -0.0000236300000000 ] - [ 0.0991601400000000, -0.0071787300000000, 0.0158654300000000 ] - [ -0.0001214600000000, 0.0000019000000000, -0.0000424900000000 ] - [ 0.0009783200000000, 0.0009202400000000, -0.0002838800000000 ] - [ -0.0020198000000000, -0.0006062400000000, 0.0007863200000000 ] - [ 0.0000674500000000, -0.0001122700000000, -0.0000552600000000 ] - [ 0.0002359300000000, 0.0000205200000000, -0.0002220700000000 ] - [ -0.0026500700000000, -0.0059313200000000, -0.0033618900000000 ] - [ -0.0008971300000000, -0.0000143100000000, 0.0005929300000000 ] - [ 0.0002449600000000, 0.0000287900000000, 0.0002762800000000 ] - [ 0.0000008000000000, 0.0000011500000000, -0.0001749600000000 ] - [ 0.0407392300000000, 0.0228005400000000, -0.0034871800000000 ] - [ -0.0096054100000000, -0.0000836300000000, 0.0004536200000000 ] - [ 0.0000043300000000, 0.0012591600000000, -0.0003127300000000 ] - [ -0.0002594300000000, 0.0001819400000000, 0.0020347100000000 ] - [ 0.0028648200000000, -0.0083887200000000, -0.0008493700000000 ] - [ 0.0000255800000000, 0.0005780200000000, 0.0004168300000000 ] - [ 0.0001389100000000, 0.0002820700000000, -0.0001063800000000 ] - [ 0.0000472700000000, -0.0000289000000000, -0.0003011000000000 ] - [ 0.0017253800000000, 0.0008902400000000, 0.0030093200000000 ] - [ 0.0000648500000000, 0.0000863800000000, -0.0000820200000000 ] - [ -0.0000156000000000, 0.0001640200000000, -0.0002984700000000 ] - [ -0.0000938900000000, 0.0000197400000000, -0.0001439900000000 ] - [ 0.0000042500000000, 0.0001291800000000, -0.0002955700000000 ] - [ -0.0017099400000000, -0.0006865900000000, -0.0013203300000000 ] - [ -0.0003724500000000, 0.0018834400000000, 0.0000015400000000 ] - [ -0.0006150900000000, 0.0003135100000000, 0.0004971900000000 ] - [ -0.0011128700000000, -0.0000558900000000, -0.0005473300000000 ] - [ 0.0532422400000000, -0.0379186300000000, -0.0107505700000000 ] - [ -0.0002942000000000, 0.0003584400000000, 0.0001282200000000 ] - [ 0.0011031700000000, -0.0010410400000000, -0.0007155400000000 ] - [ 0.0000139800000000, 0.0000402300000000, 0.0001684800000000 ] - [ -0.0001000300000000, 0.0000610200000000, -0.0002012800000000 ] - [ 0.0000339300000000, -0.0003167600000000, -0.0004327900000000 ] - [ 0.0043736400000000, 0.0000603800000000, -0.0002547100000000 ] - [ 0.0000756000000000, -0.0002006400000000, 0.0001736700000000 ] - [ 0.0000114600000000, 0.0004658300000000, -0.0001245900000000 ] - [ 0.0001190300000000, -0.0003382700000000, 0.0003199000000000 ] - [ 0.0134583200000000, -0.0094661100000000, -0.0059902200000000 ] - [ 0.0000651800000000, -0.0000842800000000, -0.0000515800000000 ] - [ -0.0014792700000000, 0.0059173100000000, -0.0067211100000000 ] - [ 0.0023733700000000, 0.0003513800000000, 0.0008576900000000 ] - [ -0.0002440900000000, -0.0000427500000000, -0.0000224200000000 ] - [ -0.0000263600000000, -0.0034949500000000, 0.0000753100000000 ] - [ 0.0000915100000000, 0.0000711300000000, -0.0002023700000000 ] - [ -0.0000190100000000, 0.0001783600000000, 0.0003104900000000 ] - [ 0.0003400900000000, 0.0007959200000000, -0.0001784100000000 ] - [ 0.0000346800000000, -0.0000305400000000, 0.0002518400000000 ] - [ -0.0002377700000000, 0.0032915800000000, -0.0003123300000000 ] - [ 0.0004477300000000, 0.0000248500000000, -0.0003200800000000 ] - [ 0.0003788400000000, 0.0000413600000000, 0.0001116500000000 ] - [ -0.0005231500000000, 0.0003091800000000, -0.0001737600000000 ] - [ -0.0001555800000000, 0.0001137800000000, -0.0004316300000000 ] - [ -0.0000274000000000, 0.0000254500000000, 0.0004717200000000 ] - [ 0.0014179400000000, 0.0006026200000000, -0.0015076000000000 ] - [ -0.0018864200000000, -0.0007526700000000, -0.0019933100000000 ] - [ 0.0000293000000000, -0.0005790000000000, -0.0002537200000000 ] - [ -0.0002975800000000, -0.0000288400000000, 0.0042358200000000 ] - [ 0.0082289500000000, -0.0024686800000000, 0.0140677300000000 ] - [ 0.0000090100000000, 0.0000428100000000, 0.0000552000000000 ] - [ -0.0000732100000000, -0.0000153900000000, 0.0000200100000000 ] - [ 0.0003523600000000, -0.0014721300000000, 0.0003720700000000 ] - [ 0.0001361400000000, 0.0003577700000000, -0.0003183300000000 ] - [ -0.0007259400000000, 0.0001512700000000, -0.0008010600000000 ] - [ 0.0000626000000000, -0.0001015300000000, -0.0000705400000000 ] - [ 0.0001132600000000, -0.0010195400000000, 0.0022088300000000 ] - [ 0.0000390000000000, 0.0000646000000000, 0.0000031300000000 ] - [ 0.0008263600000000, -0.0001138800000000, 0.0002287200000000 ] - [ 0.0023584000000000, -0.0002277700000000, 0.0019107400000000 ] - [ 0.0003470100000000, 0.0000031900000000, 0.0008695200000000 ] - [ 0.0001085700000000, 0.0000725500000000, 0.0001184300000000 ] - [ 0.0000848000000000, -0.0000628500000000, 0.0001242500000000 ] - [ 0.0007278600000000, 0.0001658700000000, -0.0019559800000000 ] - [ 0.0000332900000000, -0.0000950200000000, 0.0004371700000000 ] - [ -0.0048666700000000, -0.0014786700000000, -0.0003624400000000 ] - [ 0.0003156900000000, 0.0002353100000000, 0.0001314600000000 ] - [ 0.0002288100000000, -0.0000303700000000, 0.0000863000000000 ] - [ -0.2425993200000000, 0.0288448600000000, -0.0037912400000000 ] - [ 0.0000132300000000, 0.0000049800000000, 0.0000228100000000 ] - [ -0.0016903600000000, -0.0004086400000000, -0.0005584300000000 ] - [ -0.0052890400000000, 0.0014092900000000, 0.0000736500000000 ] - [ -0.0002357300000000, 0.0002581600000000, 0.0001871300000000 ] - [ 0.0001632800000000, -0.0000865600000000, 0.0002101000000000 ] - [ -0.0002987500000000, -0.0002925300000000, 0.0001948000000000 ] - [ 0.0009723900000000, -0.0016249800000000, -0.0019073900000000 ] - [ -0.0000028200000000, -0.0000042200000000, 0.0000068200000000 ] - [ 0.0002545600000000, 0.0003748500000000, 0.0002367000000000 ] - [ 0.0001076800000000, -0.0007641700000000, -0.0002015800000000 ] - [ -0.0005391700000000, -0.0002931000000000, 0.0002987100000000 ] - [ 0.0150439900000000, 0.0103467600000000, 0.0008872100000000 ] - [ -0.0001768500000000, 0.0002990300000000, -0.0001813300000000 ] - [ -0.0000136100000000, 0.0000696700000000, 0.0004262600000000 ] - [ 0.0124223600000000, -0.0109591400000000, 0.0060445900000000 ] - [ 0.0003505100000000, -0.0000537700000000, -0.0001934700000000 ] - [ -0.0000926800000000, -0.0001907100000000, -0.0003639300000000 ] - [ -0.0000518700000000, -0.0000101200000000, -0.0000270800000000 ] - [ -0.0006433800000000, 0.0016169900000000, 0.0010875300000000 ] - [ 0.0003110500000000, 0.0001296100000000, -0.0005749900000000 ] - [ 0.0001282000000000, -0.0000017200000000, -0.0000110600000000 ] - [ -0.0000596700000000, -0.0000064800000000, 0.0000128900000000 ] - [ -0.0007681000000000, -0.0015138400000000, 0.0013495000000000 ] - [ -0.0000029300000000, 0.0000229200000000, 0.0000743600000000 ] - [ 0.0004820100000000, -0.0002384700000000, -0.0001285600000000 ] - [ -0.0000469600000000, 0.0000659700000000, 0.0002211000000000 ] - [ 0.0003485000000000, 0.0000084700000000, -0.0001728200000000 ] - [ 0.0000067600000000, -0.0001304200000000, -0.0002036900000000 ] - [ 0.0023364500000000, 0.0001149700000000, 0.0015776100000000 ] - [ 0.0000608100000000, -0.0000175800000000, -0.0002209600000000 ] - [ 0.0001177900000000, 0.0001821600000000, 0.0002887900000000 ] - [ -0.0008326800000000, 0.0012668700000000, 0.0010591700000000 ] - [ -0.0000656100000000, 0.0001077300000000, 0.0000086300000000 ] - [ 0.0000720900000000, 0.0000977100000000, -0.0000706700000000 ] - [ -0.0001866900000000, -0.0002995200000000, -0.0001775400000000 ] - [ -0.0031538800000000, 0.0002625400000000, 0.0001106200000000 ] - [ 0.0004704000000000, 0.0016480100000000, 0.0015222200000000 ] - [ -0.0000075600000000, -0.0000237700000000, 0.0000914400000000 ] - [ 0.0000258000000000, -0.0000852600000000, -0.0005827700000000 ] - [ -0.0000647500000000, -0.0001074100000000, -0.0000035400000000 ] - [ -0.0001445600000000, 0.0001764000000000, 0.0000858800000000 ] - [ 0.0000071200000000, 0.0001237400000000, -0.0002069000000000 ] - [ 0.0141918600000000, 0.0122536100000000, 0.0063025500000000 ] - [ 0.0001100900000000, -0.0000695200000000, -0.0001976400000000 ] - [ 0.0004880100000000, 0.0001915600000000, -0.0009680500000000 ] - [ -0.0000928800000000, -0.0000178600000000, -0.0002348400000000 ] - [ 0.0000156200000000, 0.0001049900000000, 0.0002220000000000 ] - [ 0.0018782200000000, -0.0082479300000000, -0.0111112700000000 ] - [ -0.0000942900000000, -0.0000530500000000, -0.0001975900000000 ] - [ -0.0000137300000000, -0.0000011400000000, -0.0000007000000000 ] - [ 0.0055463800000000, -0.0000552400000000, -0.0007267400000000 ] - [ 0.0000084200000000, -0.0002220200000000, 0.0001919200000000 ] - [ -0.0001044100000000, 0.0000202600000000, -0.0000353800000000 ] - [ 0.0000502400000000, -0.0001536200000000, -0.0004354500000000 ] - [ 0.0000037900000000, 0.0001651400000000, -0.0001135000000000 ] - [ 0.0035836300000000, -0.0002608600000000, -0.0006508100000000 ] - [ -0.0000134600000000, 0.0000781000000000, -0.0001338500000000 ]- atom: 117 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000301900000000, -0.0000590000000000, 0.0000043100000000 ] - [ -0.0003466900000000, -0.0010372500000000, 0.0002712700000000 ] - [ -0.0022979700000000, 0.0011336000000000, -0.0021979600000000 ] - [ -0.0000358900000000, 0.0000017100000000, 0.0000042600000000 ] - [ 0.0000079900000000, 0.0000573700000000, 0.0000221700000000 ] - [ 0.0042476200000000, 0.0003110600000000, -0.0017030600000000 ] - [ -0.0002310300000000, 0.0000925500000000, -0.0001212800000000 ] - [ 0.0000768900000000, 0.0000404700000000, 0.0002276600000000 ] - [ 0.0079936700000000, 0.0000011800000000, 0.0059306700000000 ] - [ -0.0000807200000000, 0.0000093500000000, -0.0004564300000000 ] - [ 0.0003113500000000, 0.0001723800000000, -0.0002198000000000 ] - [ -0.0030932900000000, 0.0021126000000000, 0.0077092600000000 ] - [ -0.0000094600000000, 0.0000003100000000, 0.0004254400000000 ] - [ 0.0008094800000000, 0.0003497800000000, 0.0011520300000000 ] - [ -0.0001551500000000, -0.0000177500000000, -0.0000154600000000 ] - [ 0.0000365400000000, 0.0000969900000000, -0.0000558700000000 ] - [ -0.0003977100000000, 0.0011682000000000, -0.0005234400000000 ] - [ -0.0000212800000000, -0.0000991000000000, -0.0000779100000000 ] - [ 0.0024328900000000, -0.0061412600000000, 0.0027965800000000 ] - [ -0.0030239600000000, 0.0015553200000000, 0.0019142700000000 ] - [ 0.0005243200000000, 0.0003646900000000, -0.0001257600000000 ] - [ -0.0002161200000000, -0.0001036000000000, 0.0000914400000000 ] - [ -0.0000054400000000, 0.0005776700000000, 0.0000147500000000 ] - [ -0.0027663400000000, -0.0068121600000000, -0.0035062400000000 ] - [ 0.0001624800000000, 0.0009448300000000, 0.0005253500000000 ] - [ -0.0001458400000000, -0.0002344400000000, 0.0000439500000000 ] - [ 0.0000071400000000, -0.0000004500000000, -0.0001548700000000 ] - [ 0.0001325400000000, 0.0001107600000000, -0.0002179100000000 ] - [ 0.0001664800000000, -0.0012898700000000, 0.0022138300000000 ] - [ -0.0001416900000000, 0.0001992000000000, 0.0000195600000000 ] - [ 0.0000812700000000, 0.0000114200000000, -0.0003364900000000 ] - [ 0.0001992200000000, -0.0013310200000000, 0.0002753100000000 ] - [ 0.0002138500000000, -0.0000480300000000, -0.0000745800000000 ] - [ 0.0078515500000000, -0.0001282700000000, -0.0038283200000000 ] - [ 0.0003119800000000, 0.0000008400000000, 0.0000405000000000 ] - [ -0.0030380100000000, 0.0007836800000000, -0.0050046800000000 ] - [ -0.0001335000000000, 0.0002176700000000, 0.0000774400000000 ] - [ -0.0001840800000000, -0.0001021300000000, 0.0004161900000000 ] - [ 0.0000045200000000, -0.0000549300000000, -0.0003381700000000 ] - [ 0.0000402600000000, -0.0001070700000000, -0.0000580000000000 ] - [ -0.1067696400000000, 0.0079782200000000, -0.0178955600000000 ] - [ -0.0001172900000000, 0.0000201600000000, -0.0000391400000000 ] - [ -0.0004613000000000, -0.0009928800000000, 0.0004813600000000 ] - [ 0.0018623300000000, 0.0006060400000000, -0.0001406500000000 ] - [ 0.0000708200000000, -0.0000832900000000, -0.0000263500000000 ] - [ -0.0001583400000000, 0.0001153100000000, -0.0004321600000000 ] - [ 0.0031689200000000, 0.0059847100000000, 0.0031560800000000 ] - [ 0.0005803700000000, 0.0004299800000000, -0.0003975700000000 ] - [ -0.0004940800000000, -0.0000549100000000, -0.0001960400000000 ] - [ 0.0000006700000000, -0.0000082100000000, -0.0001635600000000 ] - [ -0.0403079500000000, -0.0213661800000000, 0.0038839400000000 ] - [ 0.0094491700000000, 0.0000882600000000, 0.0001246600000000 ] - [ 0.0000907100000000, -0.0014276500000000, -0.0002545000000000 ] - [ 0.0003147700000000, -0.0003021000000000, -0.0014161600000000 ] - [ -0.0029397800000000, 0.0084047700000000, 0.0004305500000000 ] - [ -0.0000220200000000, -0.0005723900000000, 0.0002096500000000 ] - [ -0.0000432700000000, -0.0000566200000000, 0.0001865200000000 ] - [ 0.0000197000000000, 0.0001454300000000, -0.0003262300000000 ] - [ -0.0016385500000000, -0.0007294800000000, -0.0036051500000000 ] - [ 0.0000831400000000, 0.0001091200000000, -0.0000006000000000 ] - [ 0.0005748600000000, -0.0001648100000000, 0.0001962700000000 ] - [ -0.0000406300000000, -0.0000194400000000, -0.0004842700000000 ] - [ 0.0000704600000000, -0.0002710400000000, -0.0003592700000000 ] - [ 0.0015232200000000, 0.0006903200000000, 0.0007623800000000 ] - [ 0.0004918500000000, -0.0020859100000000, 0.0005714900000000 ] - [ 0.0002972400000000, -0.0007333600000000, -0.0003028900000000 ] - [ 0.0009124700000000, -0.0004311400000000, 0.0007457100000000 ] - [ -0.0523978900000000, 0.0359198300000000, 0.0098906500000000 ] - [ 0.0000127000000000, 0.0001237600000000, -0.0002304700000000 ] - [ -0.0011276700000000, 0.0010093700000000, 0.0011435200000000 ] - [ -0.0000124400000000, -0.0000470700000000, 0.0001670100000000 ] - [ -0.0001157100000000, 0.0000509400000000, -0.0002096000000000 ] - [ 0.0000277400000000, 0.0002079900000000, -0.0004346600000000 ] - [ -0.0042188800000000, -0.0002148100000000, 0.0003781700000000 ] - [ -0.0002232800000000, 0.0004572700000000, -0.0004384500000000 ] - [ -0.0000307600000000, -0.0005000000000000, -0.0004131600000000 ] - [ -0.0000186700000000, 0.0001490400000000, -0.0002520600000000 ] - [ -0.0136227000000000, 0.0096300500000000, 0.0065863300000000 ] - [ 0.0000445400000000, -0.0000958800000000, -0.0000148900000000 ] - [ 0.0016461500000000, -0.0055561200000000, 0.0067486500000000 ] - [ -0.0028324700000000, -0.0003562000000000, -0.0008720200000000 ] - [ 0.0003595000000000, 0.0000398500000000, -0.0003459200000000 ] - [ 0.0001006300000000, 0.0032742700000000, 0.0000489400000000 ] - [ 0.0001073700000000, 0.0000662700000000, -0.0002146600000000 ] - [ 0.0000381900000000, 0.0000616400000000, 0.0001073300000000 ] - [ -0.0003957900000000, -0.0006993700000000, 0.0005523300000000 ] - [ -0.0002502300000000, -0.0000765300000000, 0.0001654600000000 ] - [ 0.0002217700000000, -0.0033224500000000, 0.0008492500000000 ] - [ -0.0001541400000000, -0.0000247600000000, 0.0000567000000000 ] - [ 0.0003184200000000, -0.0000364800000000, 0.0002556700000000 ] - [ 0.0005842000000000, -0.0002027900000000, -0.0006958900000000 ] - [ 0.0000957700000000, -0.0000162400000000, 0.0000645300000000 ] - [ -0.0001006700000000, -0.0000281800000000, 0.0003988600000000 ] - [ -0.0014664700000000, -0.0007056700000000, 0.0018890400000000 ] - [ 0.0020218500000000, 0.0007452200000000, 0.0023557500000000 ] - [ -0.0000248800000000, 0.0005722500000000, -0.0000737100000000 ] - [ 0.0002234500000000, 0.0001276900000000, -0.0038620000000000 ] - [ -0.0085945000000000, 0.0030778600000000, -0.0141845200000000 ] - [ 0.0000215300000000, 0.0000102400000000, 0.0000306200000000 ] - [ -0.0001403800000000, 0.0000105800000000, -0.0000866600000000 ] - [ -0.0001329300000000, 0.0010920100000000, -0.0003715100000000 ] - [ -0.0001045200000000, -0.0003030000000000, 0.0002330700000000 ] - [ 0.0008909500000000, 0.0000249600000000, 0.0006755600000000 ] - [ 0.0000396800000000, -0.0000857200000000, 0.0000042300000000 ] - [ -0.0001298400000000, 0.0010506600000000, -0.0027542900000000 ] - [ 0.0000703100000000, 0.0001132700000000, -0.0000711800000000 ] - [ -0.0010605400000000, 0.0000656300000000, -0.0003604100000000 ] - [ -0.0020636700000000, 0.0002274100000000, -0.0016374000000000 ] - [ -0.0002503200000000, 0.0001802400000000, -0.0007998400000000 ] - [ -0.0001576900000000, -0.0001732900000000, -0.0004874300000000 ] - [ 0.0001742700000000, 0.0000614600000000, -0.0001098700000000 ] - [ -0.0006981900000000, -0.0001658900000000, 0.0014249200000000 ] - [ 0.0000281100000000, -0.0000168200000000, 0.0004336300000000 ] - [ 0.0050332800000000, 0.0015760000000000, 0.0004716300000000 ] - [ -0.0005486000000000, -0.0001884500000000, -0.0002633900000000 ] - [ -0.0002311600000000, 0.0000321800000000, 0.0002348200000000 ] - [ 0.2489459700000000, -0.0295437900000000, 0.0056978200000000 ] - [ -0.0000142700000000, -0.0000061000000000, -0.0000215400000000 ] - [ 0.0012833200000000, 0.0011057800000000, 0.0008759200000000 ] - [ 0.0048887500000000, -0.0006302600000000, -0.0003821700000000 ] - [ -0.0001087400000000, 0.0003481800000000, 0.0001802400000000 ] - [ 0.0000416000000000, -0.0000434900000000, 0.0002043200000000 ] - [ -0.0000485300000000, -0.0003088100000000, 0.0001683900000000 ] - [ -0.0011198600000000, 0.0018905200000000, 0.0021856200000000 ] - [ 0.0000021000000000, 0.0000029000000000, -0.0000056100000000 ] - [ -0.0001387000000000, -0.0003688500000000, 0.0001332700000000 ] - [ -0.0000344200000000, 0.0005416500000000, 0.0000741900000000 ] - [ 0.0004806200000000, 0.0002936100000000, -0.0003824000000000 ] - [ -0.0144121500000000, -0.0104962100000000, -0.0012162400000000 ] - [ -0.0001674100000000, 0.0003072400000000, -0.0001849000000000 ] - [ 0.0000739000000000, 0.0000346500000000, 0.0004442900000000 ] - [ -0.0122757300000000, 0.0108280600000000, -0.0054554900000000 ] - [ -0.0005636400000000, 0.0000479000000000, 0.0002648700000000 ] - [ 0.0000300500000000, 0.0000989800000000, -0.0000029900000000 ] - [ -0.0000796600000000, -0.0002172600000000, 0.0000409300000000 ] - [ 0.0003313100000000, -0.0021823600000000, -0.0010952100000000 ] - [ -0.0004372200000000, -0.0001317500000000, -0.0002908400000000 ] - [ 0.0001296900000000, -0.0000000100000000, -0.0000015900000000 ] - [ 0.0000014800000000, 0.0000074900000000, 0.0000721700000000 ] - [ 0.0007004200000000, 0.0014208500000000, -0.0009785000000000 ] - [ 0.0000046100000000, -0.0000233600000000, 0.0002470300000000 ] - [ -0.0003252800000000, 0.0000641800000000, -0.0000027900000000 ] - [ -0.0001687800000000, 0.0000462900000000, 0.0001932900000000 ] - [ 0.0003484800000000, -0.0000033900000000, -0.0001934100000000 ] - [ 0.0000078700000000, -0.0001102000000000, -0.0002108500000000 ] - [ -0.0023363300000000, -0.0001130900000000, -0.0018879400000000 ] - [ 0.0000547700000000, 0.0000205300000000, -0.0001496400000000 ] - [ -0.0000107000000000, -0.0003622200000000, -0.0002206300000000 ] - [ 0.0006766900000000, -0.0015221700000000, -0.0007930700000000 ] - [ -0.0000650700000000, 0.0001148200000000, -0.0000215300000000 ] - [ 0.0000269500000000, 0.0000857700000000, 0.0000029800000000 ] - [ -0.0001606500000000, -0.0003019300000000, -0.0001866600000000 ] - [ 0.0027610200000000, -0.0009616100000000, 0.0002131300000000 ] - [ 0.0003376100000000, -0.0016602600000000, -0.0012107000000000 ] - [ 0.0000375100000000, -0.0000261300000000, -0.0000066100000000 ] - [ 0.0000058200000000, 0.0000348500000000, 0.0004989600000000 ] - [ -0.0000661000000000, -0.0001190100000000, -0.0000078700000000 ] - [ -0.0000665300000000, -0.0001738300000000, -0.0000174300000000 ] - [ 0.0000123100000000, 0.0001173300000000, -0.0002098800000000 ] - [ -0.0139699700000000, -0.0118787700000000, -0.0061091100000000 ] - [ 0.0000944800000000, -0.0000611300000000, -0.0002132500000000 ] - [ -0.0004198700000000, 0.0000381600000000, 0.0008446200000000 ] - [ -0.0000552500000000, -0.0002388600000000, -0.0000281200000000 ] - [ 0.0001822000000000, 0.0000319200000000, 0.0001957400000000 ] - [ -0.0012701700000000, 0.0082232600000000, 0.0110846400000000 ] - [ -0.0001217900000000, -0.0000543800000000, -0.0002168700000000 ] - [ 0.0000123900000000, -0.0000008900000000, 0.0000020700000000 ] - [ -0.0057896100000000, 0.0000072800000000, 0.0008557000000000 ] - [ 0.0000064800000000, -0.0000179700000000, 0.0002248000000000 ] - [ -0.0001064600000000, -0.0000152000000000, -0.0000311900000000 ] - [ 0.0000610200000000, 0.0003301600000000, 0.0005035600000000 ] - [ -0.0000594300000000, -0.0000638300000000, -0.0002573500000000 ] - [ -0.0038216100000000, 0.0002865100000000, 0.0007845600000000 ] - [ -0.0001167700000000, 0.0001458200000000, 0.0001481200000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000278800000000, -0.0000393400000000, -0.0015824100000000 ] - [ -0.0000413800000000, 0.0008017700000000, 0.0029475200000000 ] - [ 0.0019016000000000, 0.0032936700000000, -0.0039017000000000 ] - [ -0.0000480100000000, 0.0000044800000000, -0.0015824100000000 ] - [ 0.0000246500000000, 0.0000427000000000, -0.0016266500000000 ] - [ 0.0007150400000000, 0.0003650400000000, 0.0029475200000000 ] - [ -0.0000852100000000, -0.0001475900000000, -0.0013414000000000 ] - [ -0.0000555900000000, -0.0000327400000000, -0.0010011700000000 ] - [ -0.0038816700000000, -0.0001164900000000, 0.0013601000000000 ] - [ 0.0000282000000000, 0.0000488400000000, -0.0016835900000000 ] - [ 0.0004373500000000, 0.0002236300000000, -0.0009639500000000 ] - [ -0.0004405400000000, -0.0013548300000000, -0.0044906400000000 ] - [ -0.0000026100000000, -0.0000045300000000, -0.0007791200000000 ] - [ -0.0004039200000000, -0.0003414700000000, -0.0001133300000000 ] - [ -0.0000099100000000, -0.0000225500000000, -0.0011214700000000 ] - [ -0.0000220500000000, 0.0000051600000000, -0.0011023300000000 ] - [ -0.0005993800000000, -0.0006879700000000, 0.0010402800000000 ] - [ -0.0000552100000000, -0.0000488300000000, -0.0015288600000000 ] - [ -0.0007502800000000, 0.0010613400000000, 0.0009423000000000 ] - [ -0.0014627400000000, -0.0025335400000000, -0.0026542500000000 ] - [ 0.0005805000000000, 0.0003515600000000, -0.0008992800000000 ] - [ -0.0002359600000000, -0.0004087000000000, -0.0010080900000000 ] - [ 0.0000142100000000, 0.0006785100000000, -0.0008992800000000 ] - [ 0.0018399500000000, -0.0034198700000000, 0.0013601000000000 ] - [ 0.0000817400000000, 0.0001415700000000, 0.0002184500000000 ] - [ -0.0001797400000000, -0.0003113300000000, -0.0009971200000000 ] - [ -0.0000033600000000, 0.0000012500000000, -0.0013666300000000 ] - [ -0.0000291900000000, -0.0000655200000000, -0.0013296100000000 ] - [ -0.0011994900000000, 0.0016593800000000, -0.0009506800000000 ] - [ -0.0003936400000000, 0.0002168800000000, -0.0009314100000000 ] - [ 0.0000085400000000, 0.0000274100000000, -0.0014249300000000 ] - [ 0.0001944000000000, 0.0002345800000000, 0.0003117700000000 ] - [ 0.0003846400000000, -0.0002324600000000, -0.0009314100000000 ] - [ 0.0012942800000000, -0.0001190900000000, 0.0009423000000000 ] - [ 0.0003888500000000, -0.0000067800000000, -0.0009961000000000 ] - [ -0.0009530500000000, -0.0010589400000000, -0.0044906400000000 ] - [ -0.0002002900000000, 0.0003333600000000, -0.0009961000000000 ] - [ -0.0000317800000000, -0.0002129700000000, -0.0013163000000000 ] - [ 0.0000194600000000, 0.0000211000000000, -0.0014249300000000 ] - [ -0.0000145800000000, -0.0000198600000000, -0.0011214700000000 ] - [ 0.0176574300000000, -0.0019042000000000, 0.0255675000000000 ] - [ -0.0000038500000000, 0.0000238200000000, -0.0010880400000000 ] - [ 0.0001486200000000, 0.0005020600000000, -0.0012153200000000 ] - [ 0.0001059600000000, 0.0002856400000000, 0.0003117700000000 ] - [ 0.0000225600000000, 0.0000085800000000, -0.0010880400000000 ] - [ 0.0000847800000000, 0.0001468400000000, -0.0015344400000000 ] - [ -0.0002961100000000, -0.0008630700000000, 0.0010402800000000 ] - [ 0.0003604800000000, 0.0003797400000000, -0.0012153200000000 ] - [ -0.0001685500000000, -0.0001340000000000, -0.0013163000000000 ] - [ 0.0000027600000000, -0.0000022800000000, -0.0013666300000000 ] - [ -0.0044745700000000, -0.0077501900000000, 0.0236837700000000 ] - [ -0.0005198600000000, -0.0003519800000000, 0.0036740000000000 ] - [ -0.0000747900000000, -0.0009282100000000, 0.0001556100000000 ] - [ 0.0020368100000000, -0.0002091000000000, -0.0009506800000000 ] - [ -0.0000627100000000, -0.0001086100000000, 0.0033006000000000 ] - [ -0.0000937600000000, -0.0005205400000000, -0.0001133300000000 ] - [ -0.0000250100000000, 0.0004905700000000, -0.0009639500000000 ] - [ 0.0000540000000000, 0.0000935300000000, -0.0013947500000000 ] - [ 0.0003936700000000, 0.0006818600000000, -0.0042417900000000 ] - [ 0.0000155000000000, -0.0000165100000000, -0.0011023300000000 ] - [ 0.0000511000000000, 0.0001691600000000, -0.0009731700000000 ] - [ -0.0000146900000000, -0.0000722300000000, -0.0015288600000000 ] - [ -0.0000421400000000, -0.0000580400000000, -0.0013296100000000 ] - [ -0.0007664600000000, -0.0005288700000000, 0.0001556100000000 ] - [ -0.0000448900000000, -0.0006262000000000, 0.0036740000000000 ] - [ 0.0001799500000000, -0.0006641100000000, -0.0010280700000000 ] - [ -0.0006651200000000, -0.0001762100000000, -0.0010280700000000 ] - [ -0.0104778000000000, 0.0143396800000000, 0.0255675000000000 ] - [ 0.0001209500000000, 0.0001288400000000, -0.0009731700000000 ] - [ -0.0005162000000000, -0.0008940800000000, 0.0009921800000000 ] - [ -0.0000005600000000, -0.0000645200000000, -0.0010011700000000 ] - [ -0.0000733900000000, 0.0001184400000000, 0.0005730400000000 ] - [ -0.0000136500000000, -0.0001429600000000, 0.0001010100000000 ] - [ 0.0001241500000000, 0.0006996400000000, -0.0016309000000000 ] - [ 0.0000818000000000, -0.0000579300000000, 0.0006704000000000 ] - [ -0.0000748300000000, -0.0001296000000000, 0.0000130500000000 ] - [ 0.0001997600000000, -0.0001801400000000, 0.0004470100000000 ] - [ -0.0049316700000000, 0.0020944700000000, -0.0025128700000000 ] - [ 0.0000637600000000, -0.0001226500000000, 0.0007108900000000 ] - [ -0.0044870000000000, -0.0077717100000000, 0.0039801400000000 ] - [ -0.0003807500000000, 0.0004317300000000, -0.0021588700000000 ] - [ 0.0000409800000000, 0.0000520600000000, 0.0007095600000000 ] - [ -0.0004644300000000, 0.0001878500000000, -0.0017883400000000 ] - [ 0.0001328600000000, 0.0000026500000000, 0.0005798300000000 ] - [ 0.0001709300000000, 0.0001596700000000, 0.0010272500000000 ] - [ -0.0003564800000000, -0.0001608700000000, -0.0002786600000000 ] - [ -0.0000881100000000, -0.0000001300000000, 0.0009519300000000 ] - [ 0.0003999800000000, 0.0006927800000000, -0.0012772500000000 ] - [ -0.0000910700000000, 0.0000418800000000, 0.0006704000000000 ] - [ 0.0003543400000000, -0.0000368700000000, 0.0009715300000000 ] - [ 0.0001730000000000, 0.0002996500000000, 0.0009016200000000 ] - [ 0.0000246000000000, 0.0000615200000000, 0.0007095600000000 ] - [ -0.0000822300000000, 0.0000136500000000, 0.0013096000000000 ] - [ -0.0008909100000000, -0.0001469600000000, 0.0000203400000000 ] - [ -0.0018600900000000, 0.0026886400000000, 0.0031814800000000 ] - [ -0.0000094600000000, 0.0005694900000000, -0.0008771800000000 ] - [ 0.0032584800000000, -0.0002665700000000, 0.0031814800000000 ] - [ 0.0109570400000000, -0.0019082100000000, 0.0050328100000000 ] - [ 0.0000579300000000, 0.0001003300000000, 0.0008430700000000 ] - [ -0.0001296100000000, -0.0000105100000000, 0.0007252100000000 ] - [ 0.0005642700000000, -0.0001138700000000, -0.0021588700000000 ] - [ -0.0003765400000000, -0.0006521900000000, 0.0009567600000000 ] - [ 0.0003985400000000, -0.0007398300000000, 0.0010187000000000 ] - [ 0.0000557100000000, -0.0001175000000000, 0.0007252100000000 ] - [ 0.0004571300000000, -0.0006722700000000, 0.0015001300000000 ] - [ 0.0000848400000000, 0.0000921200000000, 0.0007416900000000 ] - [ 0.0000196600000000, -0.0000317800000000, 0.0001364800000000 ] - [ 0.0008642300000000, -0.0003333000000000, -0.0001661900000000 ] - [ 0.0006077500000000, 0.0000025200000000, 0.0010310100000000 ] - [ -0.0000176500000000, 0.0000929300000000, 0.0005477500000000 ] - [ 0.0002498800000000, -0.0000568400000000, 0.0006957200000000 ] - [ -0.0008107700000000, 0.0000597500000000, 0.0015001300000000 ] - [ 0.0000529300000000, -0.0000643900000000, 0.0013096000000000 ] - [ 0.0005019300000000, 0.0048900200000000, -0.0033548200000000 ] - [ -0.0001588500000000, 0.0000681400000000, -0.0000071500000000 ] - [ -0.0001272400000000, -0.0000477200000000, 0.0009517400000000 ] - [ -0.0049221000000000, -0.0085253200000000, -0.0669776800000000 ] - [ 0.0000111300000000, 0.0000026300000000, 0.0011550500000000 ] - [ 0.0005117100000000, 0.0015099700000000, 0.0005757400000000 ] - [ 0.0000209600000000, -0.0009914300000000, -0.0042501000000000 ] - [ -0.0002091000000000, 0.0002884400000000, 0.0009715300000000 ] - [ 0.0000744300000000, -0.0001176500000000, 0.0008956900000000 ] - [ -0.0002234200000000, -0.0003869800000000, 0.0010637100000000 ] - [ -0.0007207600000000, 0.0005817900000000, -0.0001661900000000 ] - [ -0.0000032900000000, 0.0000109500000000, 0.0011550500000000 ] - [ 0.0000389300000000, -0.0003891600000000, -0.0002786600000000 ] - [ -0.0000373600000000, 0.0000011300000000, 0.0001364800000000 ] - [ 0.0003434600000000, -0.0003240300000000, 0.0011239100000000 ] - [ -0.0008690800000000, -0.0004775600000000, -0.0042501000000000 ] - [ -0.0001252200000000, 0.0002320900000000, 0.0005972600000000 ] - [ 0.0000263300000000, 0.0000456000000000, 0.0013584000000000 ] - [ 0.0042797000000000, -0.0032237200000000, -0.0025128700000000 ] - [ -0.0002558900000000, 0.0000829300000000, 0.0004470100000000 ] - [ 0.0000893000000000, 0.0000311800000000, 0.0005477500000000 ] - [ -0.0001256000000000, -0.0002175400000000, 0.0006744600000000 ] - [ -0.0001982000000000, -0.0003432900000000, -0.0020436600000000 ] - [ -0.0001169800000000, -0.0000833000000000, 0.0001010100000000 ] - [ 0.0001129700000000, 0.0000004300000000, 0.0006451800000000 ] - [ -0.0000961700000000, 0.0000196800000000, 0.0008814500000000 ] - [ 0.0003181800000000, -0.0008450400000000, 0.0000203400000000 ] - [ 0.0000222900000000, -0.0001340500000000, 0.0009517400000000 ] - [ 0.0001384400000000, -0.0001035000000000, -0.0000071500000000 ] - [ -0.0001391000000000, 0.0000056300000000, 0.0008956900000000 ] - [ 0.0002636100000000, 0.0000076000000000, 0.0005972600000000 ] - [ -0.0000619300000000, -0.0001213800000000, 0.0005731500000000 ] - [ 0.0004979200000000, 0.0002765500000000, -0.0008771800000000 ] - [ 0.0000513800000000, -0.0000649700000000, 0.0004194900000000 ] - [ 0.0001658000000000, -0.0000775200000000, 0.0004122800000000 ] - [ 0.0004553000000000, 0.0007885900000000, -0.0002779600000000 ] - [ -0.0000561100000000, 0.0000980500000000, 0.0006451800000000 ] - [ 0.0000373600000000, 0.0001195300000000, 0.0007416900000000 ] - [ -0.0001307700000000, -0.0002265100000000, 0.0006098100000000 ] - [ -0.0001501200000000, -0.0002600200000000, 0.0017985800000000 ] - [ 0.0010518200000000, 0.0011981400000000, 0.0005757400000000 ] - [ 0.0000651300000000, -0.0000734400000000, 0.0008814500000000 ] - [ -0.0004523500000000, 0.0001354300000000, 0.0011239100000000 ] - [ -0.0000583500000000, -0.0001010600000000, 0.0006373300000000 ] - [ -0.0001500300000000, 0.0001048200000000, 0.0004122800000000 ] - [ -0.0000641300000000, 0.0001163800000000, 0.0005798300000000 ] - [ 0.0039839200000000, 0.0028796900000000, -0.0033548200000000 ] - [ 0.0001392600000000, -0.0000043400000000, 0.0005730400000000 ] - [ -0.0008399800000000, -0.0000247700000000, 0.0010187000000000 ] - [ -0.0001220100000000, -0.0002113400000000, 0.0006150500000000 ] - [ 0.0000528100000000, 0.0002278600000000, 0.0010272500000000 ] - [ -0.0071310800000000, 0.0085349700000000, 0.0050328100000000 ] - [ -0.0000741500000000, -0.0001143200000000, 0.0005731500000000 ] - [ -0.0000065700000000, -0.0000113900000000, 0.0011632600000000 ] - [ 0.0003948900000000, -0.0003082800000000, -0.0017883400000000 ] - [ 0.0000439400000000, -0.0000763700000000, 0.0009519300000000 ] - [ -0.0001380900000000, -0.0000061100000000, 0.0007108900000000 ] - [ -0.0003016900000000, 0.0005275900000000, 0.0010310100000000 ] - [ -0.0000819500000000, 0.0000120100000000, 0.0004194900000000 ] - [ 0.0005438300000000, 0.0004573400000000, -0.0016309000000000 ] - [ -0.0001741600000000, 0.0001879800000000, 0.0006957200000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000304700000000, -0.0000607600000000, 0.0015812400000000 ] - [ 0.0000396300000000, -0.0008002700000000, -0.0029566200000000 ] - [ -0.0018910700000000, -0.0032754400000000, 0.0042934800000000 ] - [ -0.0000678600000000, -0.0000040000000000, 0.0015812400000000 ] - [ 0.0000346100000000, 0.0000599400000000, 0.0016253500000000 ] - [ -0.0007128700000000, -0.0003658100000000, -0.0029566200000000 ] - [ 0.0000854400000000, 0.0001479800000000, 0.0009374300000000 ] - [ 0.0000484600000000, 0.0000306100000000, 0.0013380100000000 ] - [ 0.0035537600000000, 0.0005267500000000, -0.0015290200000000 ] - [ -0.0000298200000000, -0.0000516400000000, 0.0008377200000000 ] - [ -0.0002867200000000, -0.0000276600000000, 0.0010447200000000 ] - [ 0.0004317500000000, 0.0013946200000000, 0.0049195900000000 ] - [ 0.0000007200000000, 0.0000012500000000, 0.0016219000000000 ] - [ 0.0004030000000000, 0.0003446600000000, 0.0007445000000000 ] - [ -0.0002383100000000, -0.0000031600000000, 0.0010404900000000 ] - [ 0.0001174600000000, 0.0002211600000000, 0.0010199500000000 ] - [ 0.0004070000000000, 0.0011847400000000, -0.0012149500000000 ] - [ 0.0001232900000000, -0.0000673200000000, 0.0009014100000000 ] - [ 0.0004292900000000, -0.0014860000000000, -0.0011202900000000 ] - [ 0.0015292500000000, 0.0026487400000000, 0.0032935900000000 ] - [ -0.0000600600000000, -0.0002846000000000, 0.0010957500000000 ] - [ -0.0000432000000000, -0.0000748300000000, 0.0009097700000000 ] - [ -0.0002164400000000, -0.0001943100000000, 0.0010957500000000 ] - [ -0.0013207100000000, 0.0033410200000000, -0.0015290200000000 ] - [ -0.0000126600000000, -0.0000219200000000, 0.0004141900000000 ] - [ -0.0000987400000000, -0.0001710200000000, 0.0010940000000000 ] - [ -0.0000035700000000, -0.0000033600000000, 0.0010281800000000 ] - [ -0.0001304300000000, 0.0000600400000000, 0.0006746300000000 ] - [ 0.0010560700000000, -0.0016492300000000, 0.0015776500000000 ] - [ 0.0001541200000000, -0.0001922900000000, 0.0010110600000000 ] - [ -0.0000073000000000, -0.0000234200000000, 0.0007980500000000 ] - [ -0.0001208300000000, -0.0003713400000000, 0.0003477600000000 ] - [ -0.0002435900000000, 0.0000373300000000, 0.0010110600000000 ] - [ -0.0015015500000000, -0.0003712200000000, -0.0011202900000000 ] - [ 0.0001695000000000, 0.0000060700000000, 0.0010951400000000 ] - [ 0.0009919000000000, 0.0010712200000000, 0.0049195900000000 ] - [ -0.0000795000000000, 0.0001498300000000, 0.0010951400000000 ] - [ 0.0001323200000000, -0.0000159200000000, 0.0013939700000000 ] - [ -0.0000166300000000, -0.0000180300000000, 0.0007980500000000 ] - [ 0.0001164200000000, -0.0002079600000000, 0.0010404900000000 ] - [ -0.0174747400000000, 0.0019184000000000, -0.0257192200000000 ] - [ -0.0002348200000000, -0.0000018400000000, 0.0010067800000000 ] - [ 0.0003717700000000, -0.0005734500000000, 0.0014124400000000 ] - [ -0.0002611700000000, -0.0002903200000000, 0.0003477600000000 ] - [ 0.0001158100000000, -0.0002042900000000, 0.0010067800000000 ] - [ -0.0000067500000000, -0.0000116900000000, 0.0008814000000000 ] - [ 0.0008225100000000, 0.0009448400000000, -0.0012149500000000 ] - [ -0.0006825000000000, 0.0000352300000000, 0.0014124400000000 ] - [ -0.0000799500000000, 0.0001066300000000, 0.0013939700000000 ] - [ -0.0000011200000000, -0.0000047700000000, 0.0010281800000000 ] - [ 0.0044402600000000, 0.0076907600000000, -0.0229774500000000 ] - [ 0.0003187300000000, 0.0003557400000000, -0.0031154500000000 ] - [ 0.0001713900000000, 0.0007650700000000, -0.0007256700000000 ] - [ -0.0019563100000000, 0.0000899700000000, 0.0015776500000000 ] - [ 0.0000418800000000, 0.0000725400000000, -0.0037316500000000 ] - [ 0.0000969800000000, 0.0005213300000000, 0.0007445000000000 ] - [ 0.0001194100000000, -0.0002621400000000, 0.0010447200000000 ] - [ 0.0000130200000000, 0.0000225500000000, 0.0007672100000000 ] - [ -0.0003021200000000, -0.0005232900000000, 0.0036723900000000 ] - [ 0.0001328000000000, 0.0002123000000000, 0.0010199500000000 ] - [ 0.0005066600000000, -0.0001690700000000, 0.0008734500000000 ] - [ -0.0001199500000000, 0.0000731100000000, 0.0009014100000000 ] - [ 0.0001172100000000, -0.0000829400000000, 0.0006746300000000 ] - [ 0.0005768800000000, 0.0005309700000000, -0.0007256700000000 ] - [ 0.0001487200000000, 0.0004539000000000, -0.0031154500000000 ] - [ -0.0005002900000000, 0.0002471100000000, 0.0012237600000000 ] - [ 0.0004641400000000, -0.0003097100000000, 0.0012237600000000 ] - [ 0.0103987500000000, -0.0141743700000000, -0.0257192200000000 ] - [ -0.0003997600000000, 0.0003542500000000, 0.0008734500000000 ] - [ 0.0004969000000000, 0.0008606600000000, -0.0005719200000000 ] - [ 0.0000022800000000, 0.0000572700000000, 0.0013380100000000 ] - [ -0.0001419800000000, -0.0000060500000000, -0.0009842500000000 ] - [ 0.0000761900000000, 0.0000323000000000, -0.0009735500000000 ] - [ 0.0000313300000000, -0.0008757600000000, 0.0017587600000000 ] - [ -0.0002296300000000, 0.0003144200000000, -0.0009346900000000 ] - [ 0.0000569700000000, 0.0000986700000000, -0.0005494100000000 ] - [ -0.0000968600000000, -0.0000097700000000, -0.0003827400000000 ] - [ 0.0049155100000000, -0.0020519100000000, 0.0030331100000000 ] - [ 0.0000467000000000, -0.0000578600000000, -0.0007769700000000 ] - [ 0.0047508000000000, 0.0082286300000000, -0.0040068000000000 ] - [ -0.0000651500000000, -0.0004355900000000, 0.0021660100000000 ] - [ 0.0000739200000000, -0.0000548000000000, -0.0010790400000000 ] - [ 0.0005397500000000, -0.0004158200000000, 0.0019144600000000 ] - [ 0.0000663300000000, 0.0001347600000000, -0.0009970700000000 ] - [ -0.0001510000000000, 0.0000805500000000, -0.0006093900000000 ] - [ 0.0002962000000000, 0.0002598900000000, 0.0006428700000000 ] - [ -0.0001265000000000, -0.0001071200000000, -0.0005357000000000 ] - [ -0.0004169800000000, -0.0007222300000000, 0.0018108400000000 ] - [ 0.0003871100000000, -0.0000416600000000, -0.0009346900000000 ] - [ 0.0003417000000000, 0.0000417800000000, -0.0006039500000000 ] - [ -0.0001103900000000, -0.0001912000000000, -0.0017691700000000 ] - [ -0.0000844200000000, 0.0000366200000000, -0.0010790400000000 ] - [ -0.0000454300000000, -0.0000162200000000, -0.0004379200000000 ] - [ 0.0008355300000000, 0.0000487200000000, 0.0003422900000000 ] - [ 0.0019529900000000, -0.0026559600000000, -0.0027791400000000 ] - [ 0.0000131300000000, -0.0005686200000000, 0.0005440300000000 ] - [ -0.0032766300000000, 0.0003633600000000, -0.0027791400000000 ] - [ -0.0113957200000000, 0.0025180500000000, -0.0050704800000000 ] - [ -0.0000277800000000, -0.0000481200000000, -0.0007568600000000 ] - [ -0.0000845300000000, 0.0000056800000000, -0.0007911600000000 ] - [ -0.0003446600000000, -0.0002742200000000, 0.0021660100000000 ] - [ 0.0004026400000000, 0.0006974000000000, -0.0010371700000000 ] - [ -0.0002373700000000, 0.0009192000000000, -0.0011471700000000 ] - [ 0.0000471800000000, -0.0000703600000000, -0.0007911600000000 ] - [ -0.0004742700000000, 0.0007016000000000, -0.0020397000000000 ] - [ 0.0000247100000000, 0.0000862600000000, -0.0008092400000000 ] - [ -0.0002508400000000, -0.0000169000000000, -0.0002632100000000 ] - [ -0.0005671000000000, 0.0003312700000000, 0.0004220900000000 ] - [ -0.0005040200000000, 0.0001812900000000, -0.0009608600000000 ] - [ -0.0000313200000000, -0.0001941000000000, -0.0009160100000000 ] - [ 0.0000104400000000, 0.0000553400000000, -0.0006820500000000 ] - [ 0.0008447400000000, -0.0000599300000000, -0.0020397000000000 ] - [ 0.0000086700000000, -0.0000474600000000, -0.0004379200000000 ] - [ -0.0003495600000000, -0.0047296300000000, 0.0034553400000000 ] - [ -0.0000717200000000, -0.0000192700000000, -0.0001213400000000 ] - [ 0.0001266600000000, 0.0000495400000000, -0.0006312100000000 ] - [ 0.0045323900000000, 0.0078503200000000, 0.0660761900000000 ] - [ -0.0000118300000000, -0.0000036600000000, -0.0011543300000000 ] - [ -0.0009226800000000, -0.0008175000000000, -0.0002572000000000 ] - [ -0.0004347800000000, 0.0017002900000000, 0.0039320400000000 ] - [ -0.0001346700000000, 0.0003168100000000, -0.0006039500000000 ] - [ 0.0001311500000000, -0.0000122400000000, -0.0004825600000000 ] - [ -0.0001235600000000, -0.0002140100000000, -0.0006997400000000 ] - [ 0.0005704400000000, -0.0003254900000000, 0.0004220900000000 ] - [ 0.0000027400000000, -0.0000120800000000, -0.0011543300000000 ] - [ 0.0000769800000000, 0.0003864600000000, 0.0006428700000000 ] - [ 0.0001107900000000, -0.0002256900000000, -0.0002632100000000 ] - [ -0.0003967000000000, 0.0003224400000000, -0.0012047600000000 ] - [ 0.0016898800000000, 0.0004736100000000, 0.0039320400000000 ] - [ -0.0002187100000000, 0.0003740100000000, -0.0009639400000000 ] - [ 0.0000340500000000, 0.0000589800000000, -0.0004872400000000 ] - [ -0.0042347600000000, 0.0032310000000000, 0.0030331100000000 ] - [ 0.0000399700000000, -0.0000887700000000, -0.0003827400000000 ] - [ -0.0001524400000000, -0.0001241700000000, -0.0009160100000000 ] - [ -0.0000064100000000, -0.0000111100000000, -0.0006606000000000 ] - [ -0.0001208200000000, -0.0002092700000000, 0.0020506600000000 ] - [ -0.0000101200000000, 0.0000821300000000, -0.0009735500000000 ] - [ 0.0001451100000000, -0.0000021000000000, -0.0006573700000000 ] - [ 0.0000391200000000, -0.0000187300000000, -0.0007962800000000 ] - [ -0.0003755700000000, 0.0007479500000000, 0.0003422900000000 ] - [ -0.0000204300000000, 0.0001344600000000, -0.0006312100000000 ] - [ 0.0000191800000000, -0.0000717500000000, -0.0001213400000000 ] - [ -0.0000761800000000, 0.0001074600000000, -0.0004825600000000 ] - [ 0.0004332600000000, -0.0000024000000000, -0.0009639400000000 ] - [ 0.0000765700000000, -0.0001192000000000, -0.0009879500000000 ] - [ -0.0004990100000000, -0.0002729400000000, 0.0005440300000000 ] - [ 0.0000652000000000, 0.0000679400000000, -0.0007903700000000 ] - [ -0.0000565900000000, -0.0001048000000000, -0.0003482000000000 ] - [ -0.0006012300000000, -0.0010413600000000, 0.0005320800000000 ] - [ -0.0000743800000000, 0.0001246200000000, -0.0006573700000000 ] - [ 0.0000623500000000, 0.0000645300000000, -0.0008092400000000 ] - [ -0.0002162800000000, -0.0003746100000000, -0.0009750600000000 ] - [ -0.0002526700000000, -0.0004376400000000, -0.0014831400000000 ] - [ -0.0002466400000000, -0.0012078100000000, -0.0002572000000000 ] - [ -0.0000357800000000, 0.0000245100000000, -0.0007962800000000 ] - [ 0.0004775900000000, -0.0001823300000000, -0.0012047600000000 ] - [ -0.0000722600000000, -0.0001251500000000, -0.0006482700000000 ] - [ -0.0000624700000000, -0.0001014100000000, -0.0003482000000000 ] - [ 0.0000835400000000, 0.0001248200000000, -0.0009970700000000 ] - [ -0.0039212000000000, -0.0026675500000000, 0.0034553400000000 ] - [ 0.0000657500000000, -0.0001259800000000, -0.0009842500000000 ] - [ 0.0009147400000000, 0.0002540300000000, -0.0011471700000000 ] - [ -0.0000257500000000, -0.0000446000000000, -0.0008787000000000 ] - [ 0.0001452600000000, -0.0000905000000000, -0.0006093900000000 ] - [ 0.0078785600000000, -0.0086099600000000, -0.0050704800000000 ] - [ -0.0001415200000000, 0.0000067100000000, -0.0009879500000000 ] - [ 0.0000053900000000, 0.0000093300000000, -0.0011620000000000 ] - [ -0.0006299900000000, 0.0002595200000000, 0.0019144600000000 ] - [ -0.0000295200000000, -0.0001631100000000, -0.0005357000000000 ] - [ -0.0000734600000000, 0.0000115100000000, -0.0007769700000000 ] - [ 0.0004090100000000, -0.0003458500000000, -0.0009608600000000 ] - [ 0.0000262400000000, 0.0000904300000000, -0.0007903700000000 ] - [ -0.0007741000000000, -0.0004107500000000, 0.0017587600000000 ] - [ 0.0000427100000000, 0.0000367100000000, -0.0006820500000000 ]- atom: 118 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000058800000000, -0.0064640600000000, 0.0000000000000000 ] - [ -0.0000088100000000, 0.0000048800000000, 0.0000000000000000 ] - [ -0.0001799200000000, -0.0000492600000000, 0.0002022100000000 ] - [ -0.0003105700000000, 0.0065074300000000, 0.0000000000000000 ] - [ -0.0113543400000000, -0.0001007100000000, 0.0000000000000000 ] - [ 0.0000141800000000, -0.0000006500000000, 0.0000000000000000 ] - [ -0.0001799200000000, -0.0000492600000000, -0.0002022100000000 ] - [ 0.0209886700000000, 0.0000018200000000, 0.0005683800000000 ] - [ -0.0000462500000000, 0.0001949000000000, -0.0001715800000000 ] - [ -0.0012234900000000, -0.0011553000000000, -0.0004174100000000 ] - [ -0.0016329600000000, 0.0008636700000000, 0.0021434100000000 ] - [ -0.0000341500000000, 0.0000237800000000, 0.0002055300000000 ] - [ -0.0012234900000000, -0.0011553000000000, 0.0004174100000000 ] - [ 0.0013141700000000, 0.0000079700000000, 0.0003106900000000 ] - [ -0.0030945600000000, 0.0000381100000000, 0.0001419800000000 ] - [ -0.0004639900000000, -0.0012888000000000, -0.0001365500000000 ] - [ -0.0001277400000000, 0.0003430700000000, -0.0001294500000000 ] - [ -0.0004341300000000, -0.0000848900000000, -0.0007631000000000 ] - [ -0.0001882200000000, -0.0002219400000000, -0.0000769600000000 ] - [ 0.0000252800000000, 0.0001086000000000, -0.0005720000000000 ] - [ 0.0003596200000000, 0.0000473800000000, 0.0001484100000000 ] - [ -0.0015288000000000, 0.0036284400000000, -0.0029320200000000 ] - [ -0.0001277400000000, 0.0003430700000000, 0.0001294500000000 ] - [ 0.0001343800000000, 0.0000097600000000, -0.0000888200000000 ] - [ 0.0000856700000000, 0.0003764100000000, 0.0000787400000000 ] - [ -0.0015288000000000, 0.0036284400000000, 0.0029320200000000 ] - [ 0.0209886700000000, 0.0000018200000000, -0.0005683800000000 ] - [ 0.0000769500000000, 0.0000743500000000, -0.0007656600000000 ] - [ 0.0000216000000000, -0.0003075000000000, 0.0000980900000000 ] - [ 0.0023656700000000, -0.0011432500000000, 0.0008149900000000 ] - [ 0.0013141700000000, 0.0000079700000000, -0.0003106900000000 ] - [ 0.0001408400000000, -0.0001588800000000, 0.0007845400000000 ] - [ -0.0004125800000000, 0.0013554000000000, 0.0001372400000000 ] - [ -0.0000162400000000, -0.0002557200000000, 0.0000240500000000 ] - [ 0.0028730100000000, 0.0012887700000000, -0.0007419600000000 ] - [ 0.0000178000000000, -0.0000132500000000, 0.0002200400000000 ] - [ -0.0017436000000000, -0.0006281800000000, -0.0020406500000000 ] - [ -0.0012382200000000, -0.0039631400000000, -0.0028380800000000 ] - [ -0.0003913400000000, 0.0000864000000000, -0.0003140400000000 ] - [ -0.0012382200000000, -0.0039631400000000, 0.0028380800000000 ] - [ -0.0000341500000000, 0.0000237800000000, -0.0002055300000000 ] - [ 0.0023656700000000, -0.0011432500000000, -0.0008149900000000 ] - [ 0.0001343800000000, 0.0000097600000000, 0.0000888200000000 ] - [ 0.0000769500000000, 0.0000743500000000, 0.0007656600000000 ] - [ -0.0004125800000000, 0.0013554000000000, -0.0001372400000000 ] - [ 0.0000252800000000, 0.0001086000000000, 0.0005720000000000 ] - [ 0.0003596200000000, 0.0000473800000000, -0.0001484100000000 ] - [ -0.0000462500000000, 0.0001949000000000, 0.0001715800000000 ] - [ -0.0030945600000000, 0.0000381100000000, -0.0001419800000000 ] - [ -0.0011550800000000, 0.0010820500000000, -0.0001734900000000 ] - [ 0.0000384000000000, 0.0000807300000000, 0.0002586600000000 ] - [ -0.0000893800000000, 0.0000102800000000, 0.0002959400000000 ] - [ 0.0000563400000000, -0.0000909300000000, -0.0002967500000000 ] - [ -0.0004341300000000, -0.0000848900000000, 0.0007631000000000 ] - [ -0.0000081900000000, -0.0000052500000000, -0.0002117900000000 ] - [ -0.0003913400000000, 0.0000864000000000, 0.0003140400000000 ] - [ -0.0004639900000000, -0.0012888000000000, 0.0001365500000000 ] - [ 0.0000856700000000, 0.0003764100000000, -0.0000787400000000 ] - [ 0.0000384000000000, 0.0000807300000000, -0.0002586600000000 ] - [ -0.0016329600000000, 0.0008636700000000, -0.0021434100000000 ] - [ 0.0028730100000000, 0.0012887700000000, 0.0007419600000000 ] - [ 0.0000216000000000, -0.0003075000000000, -0.0000980900000000 ] - [ 0.0001408400000000, -0.0001588800000000, -0.0007845400000000 ] - [ -0.0000893800000000, 0.0000102800000000, -0.0002959400000000 ] - [ 0.0000563400000000, -0.0000909300000000, 0.0002967500000000 ] - [ -0.0001882200000000, -0.0002219400000000, 0.0000769600000000 ] - [ -0.0000162400000000, -0.0002557200000000, -0.0000240500000000 ] - [ 0.0000178000000000, -0.0000132500000000, -0.0002200400000000 ] - [ -0.0017436000000000, -0.0006281800000000, 0.0020406500000000 ] - [ -0.0000081900000000, -0.0000052500000000, 0.0002117900000000 ] - [ -0.0011550800000000, 0.0010820500000000, 0.0001734900000000 ] - [ -0.0002913500000000, -0.0009861400000000, 0.0001976800000000 ] - [ 0.0003279200000000, 0.0005774800000000, -0.0014728600000000 ] - [ 0.0000547900000000, -0.0000859800000000, 0.0000526000000000 ] - [ 0.0000149400000000, 0.0001446500000000, 0.0000702000000000 ] - [ -0.0000237800000000, -0.0000513400000000, -0.0002873300000000 ] - [ -0.0001267900000000, 0.0002646300000000, 0.0000878000000000 ] - [ 0.0000420100000000, 0.0000127400000000, 0.0002404700000000 ] - [ -0.0011300400000000, -0.0008560800000000, -0.0006240900000000 ] - [ 0.0001101300000000, 0.0001874500000000, 0.0000000000000000 ] - [ -0.0002258900000000, -0.0000036100000000, 0.0000000000000000 ] - [ 0.0003677100000000, -0.0000335700000000, -0.0003279500000000 ] - [ 0.0000496800000000, -0.0000975200000000, 0.0000440900000000 ] - [ 0.0019132600000000, -0.0010543100000000, -0.0010952700000000 ] - [ 0.0046491000000000, 0.0003183200000000, 0.0136064600000000 ] - [ -0.0000061300000000, -0.0001263900000000, 0.0001114500000000 ] - [ -0.0029002000000000, -0.0044966400000000, -0.0066711500000000 ] - [ -0.0000237800000000, -0.0000513400000000, 0.0002873300000000 ] - [ 0.0000365200000000, 0.0000793500000000, -0.0001572500000000 ] - [ 0.0012703400000000, -0.0006416500000000, -0.0003222700000000 ] - [ 0.0014317800000000, -0.0000496500000000, 0.0017271900000000 ] - [ -0.0001459500000000, 0.0001713700000000, -0.0003810500000000 ] - [ 0.0001450900000000, -0.0006848000000000, 0.0015536600000000 ] - [ 0.0000070400000000, -0.0000732700000000, -0.0000313000000000 ] - [ 0.0003677100000000, -0.0000335700000000, 0.0003279500000000 ] - [ 0.0000706400000000, -0.0000003200000000, -0.0001609100000000 ] - [ -0.0001459500000000, 0.0001713700000000, 0.0003810500000000 ] - [ -0.0001540400000000, 0.0002817500000000, 0.0000000000000000 ] - [ -0.0001702200000000, -0.0003814800000000, -0.0001050300000000 ] - [ -0.0000978400000000, 0.0000143300000000, 0.0009957100000000 ] - [ 0.0001093700000000, -0.0001934100000000, 0.0000000000000000 ] - [ -0.0001702200000000, -0.0003814800000000, 0.0001050300000000 ] - [ 0.0000987300000000, 0.0000798500000000, -0.0000874200000000 ] - [ -0.0001267900000000, 0.0002646300000000, -0.0000878000000000 ] - [ 0.0000420100000000, 0.0000127400000000, -0.0002404700000000 ] - [ 0.0007820000000000, 0.0003212500000000, 0.0003182500000000 ] - [ -0.0001442900000000, -0.0000236600000000, -0.0000462800000000 ] - [ 0.0000365200000000, 0.0000793500000000, 0.0001572500000000 ] - [ -0.0012138200000000, 0.0007554700000000, 0.0004771000000000 ] - [ 0.0000070400000000, -0.0000732700000000, 0.0000313000000000 ] - [ -0.0004995500000000, 0.0015943800000000, 0.0008649500000000 ] - [ 0.0000052300000000, 0.0000377400000000, -0.0002792200000000 ] - [ 0.0003279200000000, 0.0005774800000000, 0.0014728600000000 ] - [ 0.0000987300000000, 0.0000798500000000, 0.0000874200000000 ] - [ -0.0001203500000000, 0.0000228700000000, -0.0000614700000000 ] - [ -0.0001633400000000, -0.0000063200000000, 0.0001602500000000 ] - [ -0.0001882400000000, -0.0003441300000000, -0.0001480600000000 ] - [ -0.0306150100000000, 0.0000014900000000, 0.0000000000000000 ] - [ -0.0002074600000000, 0.0003509100000000, 0.0001615500000000 ] - [ -0.0002074600000000, 0.0003509100000000, -0.0001615500000000 ] - [ -0.0003293300000000, 0.0013291900000000, -0.0002167600000000 ] - [ -0.0030081300000000, 0.0042221500000000, -0.0063309000000000 ] - [ 0.0016606900000000, 0.0008276800000000, 0.0010765800000000 ] - [ 0.0000149400000000, 0.0001446500000000, -0.0000702000000000 ] - [ 0.0009319700000000, -0.0010365700000000, 0.0000000000000000 ] - [ -0.0001099500000000, -0.0000770700000000, 0.0002045600000000 ] - [ 0.0000496800000000, -0.0000975200000000, -0.0000440900000000 ] - [ 0.0000865900000000, 0.0005103600000000, 0.0003187700000000 ] - [ 0.0004102100000000, -0.0000132200000000, -0.0001669100000000 ] - [ -0.0003293300000000, 0.0013291900000000, 0.0002167600000000 ] - [ 0.0014317800000000, -0.0000496500000000, -0.0017271900000000 ] - [ 0.0000052300000000, 0.0000377400000000, 0.0002792200000000 ] - [ -0.0000978400000000, 0.0000143300000000, -0.0009957100000000 ] - [ 0.0000081100000000, 0.0000984700000000, -0.0001143300000000 ] - [ -0.0006076800000000, -0.0017491200000000, 0.0008900900000000 ] - [ -0.0001619700000000, -0.0002824700000000, 0.0000000000000000 ] - [ 0.0001450900000000, -0.0006848000000000, -0.0015536600000000 ] - [ -0.0004995500000000, 0.0015943800000000, -0.0008649500000000 ] - [ 0.0000865900000000, 0.0005103600000000, -0.0003187700000000 ] - [ 0.0000081100000000, 0.0000984700000000, 0.0001143300000000 ] - [ 0.0000706400000000, -0.0000003200000000, 0.0001609100000000 ] - [ 0.0000547900000000, -0.0000859800000000, -0.0000526000000000 ] - [ -0.0002913500000000, -0.0009861400000000, -0.0001976800000000 ] - [ 0.0012703400000000, -0.0006416500000000, 0.0003222700000000 ] - [ 0.0008877300000000, 0.0005243300000000, 0.0002857700000000 ] - [ -0.0001633400000000, -0.0000063200000000, -0.0001602500000000 ] - [ -0.0001099500000000, -0.0000770700000000, -0.0002045600000000 ] - [ -0.0011300400000000, -0.0008560800000000, 0.0006240900000000 ] - [ -0.0001385800000000, -0.0002535500000000, 0.0003095700000000 ] - [ 0.0021384600000000, 0.0001663600000000, 0.0017436700000000 ] - [ -0.0012138200000000, 0.0007554700000000, -0.0004771000000000 ] - [ 0.0016606900000000, 0.0008276800000000, -0.0010765800000000 ] - [ -0.0001882400000000, -0.0003441300000000, 0.0001480600000000 ] - [ 0.0004102100000000, -0.0000132200000000, 0.0001669100000000 ] - [ 0.0007735700000000, -0.0002344000000000, 0.0005541900000000 ] - [ 0.0007735700000000, -0.0002344000000000, -0.0005541900000000 ] - [ -0.0006076800000000, -0.0017491200000000, -0.0008900900000000 ] - [ 0.0000619100000000, -0.0004869800000000, 0.0003285700000000 ] - [ 0.0046491000000000, 0.0003183200000000, -0.0136064600000000 ] - [ 0.0000114200000000, 0.0001113200000000, 0.0000943900000000 ] - [ -0.0030081300000000, 0.0042221500000000, 0.0063309000000000 ] - [ 0.0000114200000000, 0.0001113200000000, -0.0000943900000000 ] - [ -0.0001385800000000, -0.0002535500000000, -0.0003095700000000 ] - [ 0.0019132600000000, -0.0010543100000000, 0.0010952700000000 ] - [ 0.0003262300000000, 0.0000065100000000, 0.0000000000000000 ] - [ -0.0029002000000000, -0.0044966400000000, 0.0066711500000000 ] - [ 0.0009888600000000, 0.0011255400000000, 0.0000000000000000 ] - [ -0.0001442900000000, -0.0000236600000000, 0.0000462800000000 ] - [ 0.0008877300000000, 0.0005243300000000, -0.0002857700000000 ] - [ 0.0000619100000000, -0.0004869800000000, -0.0003285700000000 ] - [ 0.0007820000000000, 0.0003212500000000, -0.0003182500000000 ] - [ -0.0000061300000000, -0.0001263900000000, -0.0001114500000000 ] - [ -0.0001203500000000, 0.0000228700000000, 0.0000614700000000 ] - [ 0.0021384600000000, 0.0001663600000000, -0.0017436700000000 ]- atom: 118 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000928900000000, 0.0063858200000000, 0.0000000000000000 ] - [ 0.0000091000000000, -0.0000049500000000, 0.0000000000000000 ] - [ 0.0001801800000000, 0.0000502600000000, 0.0002021700000000 ] - [ 0.0002358400000000, -0.0065279200000000, 0.0000000000000000 ] - [ 0.0113794500000000, 0.0002044200000000, 0.0000000000000000 ] - [ -0.0000144400000000, 0.0000008600000000, 0.0000000000000000 ] - [ 0.0001801800000000, 0.0000502600000000, -0.0002021700000000 ] - [ -0.0209903800000000, -0.0000027600000000, 0.0005678400000000 ] - [ -0.0002754300000000, 0.0002203100000000, -0.0000262400000000 ] - [ 0.0012247500000000, 0.0011628600000000, -0.0004174500000000 ] - [ 0.0018089500000000, -0.0006622800000000, -0.0020610600000000 ] - [ 0.0000180800000000, 0.0000178300000000, 0.0002202400000000 ] - [ 0.0012247500000000, 0.0011628600000000, 0.0004174500000000 ] - [ -0.0013160000000000, -0.0000035000000000, 0.0003106800000000 ] - [ 0.0028478400000000, -0.0000642900000000, -0.0002357600000000 ] - [ 0.0005604300000000, 0.0015168000000000, 0.0000511500000000 ] - [ -0.0000742400000000, 0.0001416000000000, -0.0000676100000000 ] - [ 0.0005065500000000, -0.0000315000000000, 0.0001359400000000 ] - [ -0.0001316600000000, -0.0001958200000000, -0.0001191200000000 ] - [ 0.0000524300000000, 0.0000272900000000, 0.0012260400000000 ] - [ 0.0001607400000000, 0.0000205000000000, 0.0000490300000000 ] - [ 0.0012397300000000, -0.0041088200000000, 0.0028400200000000 ] - [ -0.0000742400000000, 0.0001416000000000, 0.0000676100000000 ] - [ 0.0003864700000000, -0.0000804900000000, -0.0001084400000000 ] - [ -0.0000200600000000, -0.0002595400000000, 0.0005475000000000 ] - [ 0.0012397300000000, -0.0041088200000000, -0.0028400200000000 ] - [ -0.0209903800000000, -0.0000027600000000, -0.0005678400000000 ] - [ -0.0002365300000000, -0.0000801400000000, 0.0001143200000000 ] - [ -0.0001576000000000, 0.0003074300000000, 0.0005282200000000 ] - [ -0.0026167200000000, 0.0011845200000000, -0.0007427500000000 ] - [ -0.0013160000000000, -0.0000035000000000, -0.0003106800000000 ] - [ -0.0000655600000000, 0.0000179500000000, -0.0001334000000000 ] - [ 0.0005523400000000, -0.0015520600000000, -0.0000527800000000 ] - [ -0.0001850300000000, -0.0002301400000000, -0.0002206000000000 ] - [ -0.0023269200000000, -0.0013083900000000, 0.0008502400000000 ] - [ 0.0000261600000000, 0.0000201200000000, 0.0002058100000000 ] - [ 0.0014923200000000, 0.0011055400000000, 0.0021395400000000 ] - [ 0.0013289400000000, 0.0037334700000000, 0.0029240900000000 ] - [ 0.0003948300000000, -0.0000847800000000, -0.0003140500000000 ] - [ 0.0013289400000000, 0.0037334700000000, -0.0029240900000000 ] - [ 0.0000180800000000, 0.0000178300000000, -0.0002202400000000 ] - [ -0.0026167200000000, 0.0011845200000000, 0.0007427500000000 ] - [ 0.0003864700000000, -0.0000804900000000, 0.0001084400000000 ] - [ -0.0002365300000000, -0.0000801400000000, -0.0001143200000000 ] - [ 0.0005523400000000, -0.0015520600000000, 0.0000527800000000 ] - [ 0.0000524300000000, 0.0000272900000000, -0.0012260400000000 ] - [ 0.0001607400000000, 0.0000205000000000, -0.0000490300000000 ] - [ -0.0002754300000000, 0.0002203100000000, 0.0000262400000000 ] - [ 0.0028478400000000, -0.0000642900000000, 0.0002357600000000 ] - [ 0.0011598200000000, -0.0010994500000000, -0.0001734900000000 ] - [ 0.0000562900000000, 0.0000835700000000, 0.0003092400000000 ] - [ -0.0001011500000000, -0.0000098700000000, 0.0002715600000000 ] - [ 0.0000393900000000, -0.0000737200000000, -0.0002706600000000 ] - [ 0.0005065500000000, -0.0000315000000000, -0.0001359400000000 ] - [ -0.0000118300000000, -0.0000293400000000, -0.0002112000000000 ] - [ 0.0003948300000000, -0.0000847800000000, 0.0003140500000000 ] - [ 0.0005604300000000, 0.0015168000000000, -0.0000511500000000 ] - [ -0.0000200600000000, -0.0002595400000000, -0.0005475000000000 ] - [ 0.0000562900000000, 0.0000835700000000, -0.0003092400000000 ] - [ 0.0018089500000000, -0.0006622800000000, 0.0020610600000000 ] - [ -0.0023269200000000, -0.0013083900000000, -0.0008502400000000 ] - [ -0.0001576000000000, 0.0003074300000000, -0.0005282200000000 ] - [ -0.0000655600000000, 0.0000179500000000, 0.0001334000000000 ] - [ -0.0001011500000000, -0.0000098700000000, -0.0002715600000000 ] - [ 0.0000393900000000, -0.0000737200000000, 0.0002706600000000 ] - [ -0.0001316600000000, -0.0001958200000000, 0.0001191200000000 ] - [ -0.0001850300000000, -0.0002301400000000, 0.0002206000000000 ] - [ 0.0000261600000000, 0.0000201200000000, -0.0002058100000000 ] - [ 0.0014923200000000, 0.0011055400000000, -0.0021395400000000 ] - [ -0.0000118300000000, -0.0000293400000000, 0.0002112000000000 ] - [ 0.0011598200000000, -0.0010994500000000, 0.0001734900000000 ] - [ 0.0000762300000000, 0.0011061700000000, -0.0006058000000000 ] - [ -0.0002698400000000, -0.0006945000000000, 0.0006102600000000 ] - [ 0.0001033500000000, -0.0000892500000000, 0.0000771900000000 ] - [ -0.0001633700000000, 0.0001113800000000, -0.0003351400000000 ] - [ 0.0000071800000000, 0.0000225400000000, -0.0002495000000000 ] - [ 0.0002287600000000, -0.0004512400000000, -0.0000216300000000 ] - [ -0.0000591900000000, 0.0000177600000000, 0.0002982400000000 ] - [ 0.0012438600000000, 0.0006758400000000, 0.0005557800000000 ] - [ 0.0001075700000000, 0.0001895800000000, 0.0000000000000000 ] - [ -0.0002219600000000, 0.0000010700000000, 0.0000000000000000 ] - [ -0.0002529500000000, 0.0000307200000000, -0.0000409500000000 ] - [ 0.0000237900000000, -0.0001279400000000, 0.0000834200000000 ] - [ -0.0017142100000000, 0.0011971400000000, 0.0006910500000000 ] - [ -0.0046266200000000, -0.0000792600000000, -0.0132704200000000 ] - [ -0.0000495600000000, 0.0002292200000000, 0.0002589800000000 ] - [ 0.0026430700000000, 0.0043972600000000, 0.0071068000000000 ] - [ 0.0000071800000000, 0.0000225400000000, 0.0002495000000000 ] - [ 0.0002593800000000, -0.0000786900000000, -0.0001075300000000 ] - [ -0.0005806000000000, 0.0006461900000000, 0.0006839500000000 ] - [ -0.0013688500000000, 0.0001554800000000, -0.0026005500000000 ] - [ 0.0000867300000000, -0.0000735200000000, 0.0000112900000000 ] - [ -0.0002749700000000, 0.0006895300000000, -0.0006906300000000 ] - [ -0.0000564400000000, -0.0000272300000000, 0.0003998400000000 ] - [ -0.0002529500000000, 0.0000307200000000, 0.0000409500000000 ] - [ -0.0000691100000000, 0.0000011200000000, -0.0001607500000000 ] - [ 0.0000867300000000, -0.0000735200000000, -0.0000112900000000 ] - [ -0.0001697900000000, 0.0002854300000000, 0.0000000000000000 ] - [ 0.0002012800000000, 0.0004340400000000, 0.0001910200000000 ] - [ -0.0001219200000000, -0.0000198300000000, -0.0010680700000000 ] - [ 0.0001123500000000, -0.0001957700000000, 0.0000000000000000 ] - [ 0.0002012800000000, 0.0004340400000000, -0.0001910200000000 ] - [ 0.0000611300000000, 0.0000976300000000, -0.0000416800000000 ] - [ 0.0002287600000000, -0.0004512400000000, 0.0000216300000000 ] - [ -0.0000591900000000, 0.0000177600000000, -0.0002982400000000 ] - [ -0.0006752700000000, -0.0001421200000000, -0.0003827600000000 ] - [ -0.0000877700000000, -0.0000252600000000, -0.0000813800000000 ] - [ 0.0002593800000000, -0.0000786900000000, 0.0001075300000000 ] - [ 0.0013177900000000, -0.0005718300000000, -0.0004070600000000 ] - [ -0.0000564400000000, -0.0000272300000000, -0.0003998400000000 ] - [ 0.0007652100000000, -0.0015935900000000, -0.0008524200000000 ] - [ 0.0000297800000000, -0.0000372700000000, -0.0002595500000000 ] - [ -0.0002698400000000, -0.0006945000000000, -0.0006102600000000 ] - [ 0.0000611300000000, 0.0000976300000000, 0.0000416800000000 ] - [ -0.0001103900000000, 0.0000266700000000, -0.0000681800000000 ] - [ 0.0001631800000000, 0.0000079200000000, 0.0001600800000000 ] - [ -0.0002156200000000, -0.0003555400000000, -0.0001709100000000 ] - [ 0.0307055400000000, 0.0000024200000000, 0.0000000000000000 ] - [ -0.0002024400000000, 0.0003431500000000, 0.0001554400000000 ] - [ -0.0002024400000000, 0.0003431500000000, -0.0001554400000000 ] - [ -0.0000145300000000, -0.0007311300000000, 0.0005792500000000 ] - [ 0.0031721400000000, -0.0043630400000000, 0.0067671300000000 ] - [ -0.0020070200000000, -0.0014342700000000, -0.0007262700000000 ] - [ -0.0001633700000000, 0.0001113800000000, 0.0003351400000000 ] - [ -0.0009362200000000, 0.0010454200000000, 0.0000000000000000 ] - [ 0.0002264900000000, 0.0000797700000000, 0.0001659700000000 ] - [ 0.0000237900000000, -0.0001279400000000, -0.0000834200000000 ] - [ -0.0001429500000000, -0.0005115800000000, -0.0004045400000000 ] - [ 0.0003958500000000, 0.0000052600000000, -0.0001500000000000 ] - [ -0.0000145300000000, -0.0007311300000000, -0.0005792500000000 ] - [ -0.0013688500000000, 0.0001554800000000, 0.0026005500000000 ] - [ 0.0000297800000000, -0.0000372700000000, 0.0002595500000000 ] - [ -0.0001219200000000, -0.0000198300000000, 0.0010680700000000 ] - [ -0.0000713900000000, -0.0001915000000000, -0.0002540200000000 ] - [ 0.0004838900000000, 0.0015205000000000, -0.0008786800000000 ] - [ -0.0001578900000000, -0.0002715300000000, 0.0000000000000000 ] - [ -0.0002749700000000, 0.0006895300000000, 0.0006906300000000 ] - [ 0.0007652100000000, -0.0015935900000000, 0.0008524200000000 ] - [ -0.0001429500000000, -0.0005115800000000, 0.0004045400000000 ] - [ -0.0000713900000000, -0.0001915000000000, 0.0002540200000000 ] - [ -0.0000691100000000, 0.0000011200000000, 0.0001607500000000 ] - [ 0.0001033500000000, -0.0000892500000000, -0.0000771900000000 ] - [ 0.0000762300000000, 0.0011061700000000, 0.0006058000000000 ] - [ -0.0005806000000000, 0.0006461900000000, -0.0006839500000000 ] - [ -0.0008800100000000, -0.0007635500000000, -0.0006965300000000 ] - [ 0.0001631800000000, 0.0000079200000000, -0.0001600800000000 ] - [ 0.0002264900000000, 0.0000797700000000, -0.0001659700000000 ] - [ 0.0012438600000000, 0.0006758400000000, -0.0005557800000000 ] - [ -0.0000083600000000, -0.0000019800000000, -0.0000457000000000 ] - [ -0.0022757900000000, 0.0000571600000000, -0.0017419900000000 ] - [ 0.0013177900000000, -0.0005718300000000, 0.0004070600000000 ] - [ -0.0020070200000000, -0.0014342700000000, 0.0007262700000000 ] - [ -0.0002156200000000, -0.0003555400000000, 0.0001709100000000 ] - [ 0.0003958500000000, 0.0000052600000000, 0.0001500000000000 ] - [ -0.0007466200000000, 0.0001827200000000, -0.0004651100000000 ] - [ -0.0007466200000000, 0.0001827200000000, 0.0004651100000000 ] - [ 0.0004838900000000, 0.0015205000000000, 0.0008786800000000 ] - [ -0.0002705900000000, 0.0004932300000000, -0.0002633200000000 ] - [ -0.0046266200000000, -0.0000792600000000, 0.0132704200000000 ] - [ 0.0000625400000000, 0.0001158100000000, 0.0000349900000000 ] - [ 0.0031721400000000, -0.0043630400000000, -0.0067671300000000 ] - [ 0.0000625400000000, 0.0001158100000000, -0.0000349900000000 ] - [ -0.0000083600000000, -0.0000019800000000, 0.0000457000000000 ] - [ -0.0017142100000000, 0.0011971400000000, -0.0006910500000000 ] - [ 0.0003268200000000, -0.0000033500000000, 0.0000000000000000 ] - [ 0.0026430700000000, 0.0043972600000000, -0.0071068000000000 ] - [ -0.0009939800000000, -0.0011380100000000, 0.0000000000000000 ] - [ -0.0000877700000000, -0.0000252600000000, 0.0000813800000000 ] - [ -0.0008800100000000, -0.0007635500000000, 0.0006965300000000 ] - [ -0.0002705900000000, 0.0004932300000000, 0.0002633200000000 ] - [ -0.0006752700000000, -0.0001421200000000, 0.0003827600000000 ] - [ -0.0000495600000000, 0.0002292200000000, -0.0002589800000000 ] - [ -0.0001103900000000, 0.0000266700000000, 0.0000681800000000 ] - [ -0.0022757900000000, 0.0000571600000000, 0.0017419900000000 ]- atom: 118 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000378200000000, -0.0000352200000000, 0.0136965500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026608000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014492700000000 ] - [ -0.0000494100000000, -0.0000151400000000, 0.0136965500000000 ] - [ 0.0000116000000000, 0.0000503600000000, 0.0136965500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1796933200000000 ] - [ -0.0000945000000000, 0.0002069600000000, -0.0026188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043519400000000 ] - [ 0.0063030100000000, -0.0009381300000000, -0.0025429600000000 ] - [ -0.0000709500000000, 0.0001102200000000, -0.0020067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052092100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038780700000000 ] - [ -0.0003294100000000, 0.0000084200000000, 0.0003562800000000 ] - [ 0.0001720000000000, 0.0002810700000000, 0.0003562800000000 ] - [ -0.0003334600000000, 0.0002393400000000, -0.0024292800000000 ] - [ -0.0008826100000000, -0.0000845200000000, -0.0024768100000000 ] - [ -0.0000405500000000, -0.0004084500000000, -0.0024292800000000 ] - [ -0.0001118600000000, 0.0001881500000000, -0.0021103700000000 ] - [ 0.0002946100000000, 0.0000900500000000, -0.0024224200000000 ] - [ -0.0042589000000000, 0.0046646200000000, -0.0026127500000000 ] - [ 0.0001328900000000, 0.0002459600000000, -0.0022321700000000 ] - [ 0.0003740000000000, 0.0001691100000000, -0.0024292800000000 ] - [ -0.0004456200000000, 0.0008358100000000, -0.0018510400000000 ] - [ 0.0039914100000000, -0.0051654500000000, -0.0025138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1913566700000000 ] - [ -0.0000520000000000, 0.0001918300000000, -0.0027643800000000 ] - [ -0.0005010200000000, -0.0008038300000000, -0.0018510400000000 ] - [ -0.0023390500000000, 0.0059276300000000, -0.0025429600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045110300000000 ] - [ 0.0002188700000000, 0.0000028000000000, -0.0021103700000000 ] - [ -0.0000146500000000, 0.0000936700000000, 0.0004284300000000 ] - [ -0.0001319800000000, -0.0001853200000000, -0.0026188100000000 ] - [ 0.0024777100000000, 0.0060393900000000, -0.0025138200000000 ] - [ 0.0001309300000000, 0.0000063300000000, -0.0020067700000000 ] - [ -0.0064691200000000, -0.0008739300000000, -0.0025138200000000 ] - [ -0.0039639500000000, -0.0049895000000000, -0.0025429600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016407700000000 ] - [ 0.0040744300000000, 0.0047831200000000, -0.0026239700000000 ] - [ 0.0000492000000000, -0.0000726000000000, -0.0024330600000000 ] - [ 0.0021050900000000, -0.0059201100000000, -0.0026239700000000 ] - [ 0.0001465700000000, -0.0002380600000000, -0.0022321700000000 ] - [ -0.0001070100000000, -0.0001909500000000, -0.0021103700000000 ] - [ 0.0001574100000000, -0.0002894900000000, 0.0003562800000000 ] - [ 0.0001921300000000, -0.0000508800000000, -0.0027643800000000 ] - [ 0.0002264800000000, -0.0000216400000000, -0.0026188100000000 ] - [ -0.0002252900000000, 0.0002101100000000, -0.0024224200000000 ] - [ 0.0000884500000000, -0.0000341500000000, 0.0004284300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046734400000000 ] - [ -0.0000271200000000, 0.0000187100000000, -0.0020682600000000 ] - [ -0.0000026400000000, -0.0000328400000000, -0.0020682600000000 ] - [ 0.0000656500000000, -0.0001796200000000, -0.0026351200000000 ] - [ 0.0009466500000000, -0.0000319800000000, -0.0018510400000000 ] - [ 0.0000382700000000, 0.0000789100000000, -0.0024330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010184400000000 ] - [ -0.0000738000000000, -0.0000595300000000, 0.0004284300000000 ] - [ 0.0005145100000000, -0.0007221100000000, -0.0024768100000000 ] - [ 0.0001227200000000, 0.0001466700000000, -0.0026351200000000 ] - [ -0.0061795100000000, 0.0011370000000000, -0.0026239700000000 ] - [ -0.0019102300000000, -0.0060206200000000, -0.0026127500000000 ] - [ 0.0003681100000000, 0.0008066300000000, -0.0024768100000000 ] - [ -0.0001401300000000, -0.0001409500000000, -0.0027643800000000 ] - [ -0.0001883800000000, 0.0000329500000000, -0.0026351200000000 ] - [ 0.0000297600000000, 0.0000141300000000, -0.0020682600000000 ] - [ -0.0002794500000000, -0.0000079000000000, -0.0022321700000000 ] - [ -0.0000693200000000, -0.0003001700000000, -0.0024224200000000 ] - [ -0.0000874700000000, -0.0000063100000000, -0.0024330600000000 ] - [ 0.0061691300000000, 0.0013560000000000, -0.0026127500000000 ] - [ -0.0000599800000000, -0.0001165500000000, -0.0020067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049982600000000 ] - [ -0.0001374700000000, -0.0015452400000000, -0.0023984100000000 ] - [ -0.0011909600000000, -0.0019665400000000, 0.0021559700000000 ] - [ -0.0000698700000000, -0.0003329900000000, 0.0017491300000000 ] - [ 0.0001608300000000, 0.0001696400000000, 0.0015170200000000 ] - [ 0.0001635600000000, 0.0003302100000000, 0.0012504100000000 ] - [ -0.0000606900000000, 0.0004959900000000, 0.0006729000000000 ] - [ -0.0002214000000000, 0.0003367800000000, 0.0017893600000000 ] - [ -0.0006267100000000, 0.0010630900000000, 0.0026444200000000 ] - [ 0.0001106100000000, 0.0001916500000000, 0.0021182500000000 ] - [ -0.0002212800000000, -0.0000000400000000, 0.0021182500000000 ] - [ -0.0001154300000000, 0.0002547700000000, 0.0012003900000000 ] - [ 0.0002551000000000, -0.0001284300000000, 0.0016721600000000 ] - [ -0.0012694900000000, 0.0008916700000000, -0.0023984100000000 ] - [ 0.0138432700000000, 0.0003567200000000, 0.0138143000000000 ] - [ 0.0001102900000000, 0.0003281900000000, 0.0015707500000000 ] - [ -0.0072305700000000, 0.0118102600000000, 0.0138143000000000 ] - [ -0.0001809600000000, -0.0003601300000000, 0.0017893600000000 ] - [ 0.0000665000000000, -0.0002241000000000, 0.0015170200000000 ] - [ -0.0010997000000000, 0.0008983300000000, -0.0021129200000000 ] - [ 0.0022985500000000, -0.0000481300000000, 0.0021559700000000 ] - [ -0.0000077300000000, 0.0000477200000000, 0.0013471000000000 ] - [ 0.0009866400000000, -0.0020225800000000, 0.0030322200000000 ] - [ -0.0000147300000000, -0.0000712100000000, 0.0017170000000000 ] - [ 0.0002290800000000, -0.0002596100000000, 0.0015707500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014245600000000 ] - [ -0.0000543100000000, 0.0000483700000000, 0.0017170000000000 ] - [ -0.0001616000000000, 0.0002799300000000, 0.0020107300000000 ] - [ 0.0001046900000000, 0.0006552200000000, 0.0007335900000000 ] - [ 0.0012340100000000, 0.0000112000000000, 0.0026444200000000 ] - [ 0.0001106700000000, -0.0001916100000000, 0.0021182500000000 ] - [ -0.0000764700000000, -0.0006043200000000, 0.0006528700000000 ] - [ 0.0001747800000000, -0.0001085200000000, 0.0015424900000000 ] - [ 0.0001611700000000, -0.0006823000000000, 0.0006019400000000 ] - [ 0.0002041800000000, -0.0003067500000000, 0.0012504100000000 ] - [ 0.0005103000000000, 0.0004807300000000, 0.0006019400000000 ] - [ 0.0000213000000000, -0.0002761600000000, 0.0016196900000000 ] - [ 0.0002288800000000, 0.0002233300000000, 0.0017815400000000 ] - [ 0.0007057800000000, 0.0012551700000000, 0.0027077100000000 ] - [ -0.0000374600000000, -0.0000305500000000, 0.0013471000000000 ] - [ 0.0016216000000000, 0.0026060000000000, -0.0000318300000000 ] - [ -0.0003677500000000, -0.0000234500000000, 0.0012504100000000 ] - [ 0.0012582900000000, 0.0018657400000000, 0.0030322200000000 ] - [ -0.0000163300000000, 0.0002851400000000, 0.0016721600000000 ] - [ 0.0000065900000000, 0.0002056200000000, 0.0015424900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022810000000000 ] - [ -0.0001796000000000, -0.0003294600000000, 0.0009956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4659388000000000 ] - [ -0.0002078400000000, 0.0003784500000000, 0.0013137300000000 ] - [ -0.0001955200000000, 0.0003202700000000, 0.0009956200000000 ] - [ -0.0002281200000000, -0.0014015300000000, -0.0021129200000000 ] - [ -0.0066127000000000, -0.0121669800000000, 0.0138143000000000 ] - [ 0.0013278200000000, 0.0005032000000000, -0.0021129200000000 ] - [ -0.0003078500000000, 0.0000865500000000, 0.0017815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052244300000000 ] - [ 0.0000690400000000, 0.0000228500000000, 0.0017170000000000 ] - [ -0.0001813700000000, -0.0000971100000000, 0.0015424900000000 ] - [ 0.0005615900000000, 0.0002359400000000, 0.0006528700000000 ] - [ 0.0003751200000000, 0.0000091900000000, 0.0009956200000000 ] - [ -0.0001193800000000, 0.0020108800000000, -0.0024894900000000 ] - [ -0.0022449300000000, 0.0001568400000000, 0.0030322200000000 ] - [ 0.0004023600000000, 0.0000233500000000, 0.0017893600000000 ] - [ -0.0014399000000000, -0.0000163600000000, 0.0027077100000000 ] - [ 0.0002783500000000, -0.0000274200000000, 0.0012003900000000 ] - [ 0.0014460600000000, -0.0027073400000000, -0.0000318300000000 ] - [ -0.0001616200000000, -0.0002799100000000, 0.0020107300000000 ] - [ -0.0011075900000000, 0.0020146700000000, 0.0021559700000000 ] - [ -0.0013657300000000, -0.0026126600000000, -0.0000539400000000 ] - [ -0.0006197800000000, -0.0002369500000000, 0.0007335900000000 ] - [ -0.0003393700000000, -0.0000685800000000, 0.0015707500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017442500000000 ] - [ 0.0002285200000000, 0.0001565300000000, 0.0016196900000000 ] - [ -0.0000783200000000, 0.0016473300000000, -0.0019731200000000 ] - [ 0.0018011600000000, -0.0009020500000000, -0.0024894900000000 ] - [ 0.0014069500000000, 0.0006535700000000, -0.0023984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019590200000000 ] - [ 0.0000451900000000, -0.0000171700000000, 0.0013471000000000 ] - [ 0.0007341200000000, -0.0012388100000000, 0.0027077100000000 ] - [ 0.0000789700000000, -0.0003098800000000, 0.0017815400000000 ] - [ 0.0029454900000000, 0.0001235800000000, -0.0000539400000000 ] - [ -0.0006073100000000, -0.0010742900000000, 0.0026444200000000 ] - [ -0.0016817800000000, -0.0011088200000000, -0.0024894900000000 ] - [ -0.0002238300000000, -0.0003692200000000, 0.0013137300000000 ] - [ 0.0004316600000000, -0.0000092300000000, 0.0013137300000000 ] - [ 0.0005151000000000, -0.0004182700000000, 0.0007335900000000 ] - [ -0.0004851200000000, 0.0003683800000000, 0.0006528700000000 ] - [ -0.0015797600000000, 0.0024890800000000, -0.0000539400000000 ] - [ 0.0004598900000000, -0.0001954300000000, 0.0006729000000000 ] - [ -0.0139691600000000, -0.0001184400000000, 0.0135138200000000 ] - [ 0.0003233200000000, 0.0001059800000000, 0.0017491300000000 ] - [ 0.0068820100000000, 0.0121568700000000, 0.0135138200000000 ] - [ -0.0002498100000000, 0.0001196400000000, 0.0016196900000000 ] - [ -0.0002273300000000, 0.0000544600000000, 0.0015170200000000 ] - [ 0.0014657900000000, -0.0007558400000000, -0.0019731200000000 ] - [ 0.0003232200000000, -0.0000000100000000, 0.0020107300000000 ] - [ 0.0070871500000000, -0.0120384300000000, 0.0135138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052201400000000 ] - [ -0.0002534400000000, 0.0002270100000000, 0.0017491300000000 ] - [ -0.0013874700000000, -0.0008914900000000, -0.0019731200000000 ] - [ -0.0006714800000000, 0.0002015700000000, 0.0006019400000000 ] - [ -0.0003991900000000, -0.0003005600000000, 0.0006729000000000 ] - [ -0.0001629200000000, -0.0002273500000000, 0.0012003900000000 ] - [ -0.0002387700000000, -0.0001567100000000, 0.0016721600000000 ] - [ -0.0030676600000000, 0.0001013400000000, -0.0000318300000000 ]- atom: 167 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000028400000000, 0.0065682300000000, 0.0000000000000000 ] - [ -0.0000078800000000, -0.0000053000000000, 0.0000000000000000 ] - [ 0.0004420400000000, 0.0000000000000000, 0.0002009000000000 ] - [ -0.0116203100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000028400000000, -0.0065682300000000, 0.0000000000000000 ] - [ -0.0000078800000000, 0.0000053000000000, 0.0000000000000000 ] - [ 0.0004420400000000, 0.0000000000000000, -0.0002009000000000 ] - [ -0.0012442300000000, 0.0011678500000000, 0.0001737100000000 ] - [ -0.0002830300000000, 0.0002420700000000, -0.0000608600000000 ] - [ 0.0224452500000000, 0.0000000000000000, -0.0000859500000000 ] - [ -0.0012036500000000, 0.0041392900000000, -0.0029545200000000 ] - [ 0.0000100100000000, 0.0000241700000000, 0.0002213100000000 ] - [ 0.0224452500000000, 0.0000000000000000, 0.0000859500000000 ] - [ -0.0003529400000000, 0.0000924000000000, 0.0003140800000000 ] - [ 0.0024820600000000, -0.0012232500000000, -0.0008934900000000 ] - [ -0.0017081500000000, 0.0008462400000000, -0.0021804000000000 ] - [ -0.0001359100000000, 0.0001353800000000, -0.0001539300000000 ] - [ 0.0000869600000000, 0.0002611400000000, -0.0001025600000000 ] - [ -0.0002830300000000, -0.0002420700000000, -0.0000608600000000 ] - [ 0.0001323500000000, -0.0000462000000000, 0.0007632700000000 ] - [ 0.0002449000000000, 0.0000288600000000, 0.0000804300000000 ] - [ -0.0006412300000000, -0.0016541600000000, 0.0000874300000000 ] - [ -0.0001359100000000, 0.0001353800000000, 0.0001539300000000 ] - [ 0.0002449000000000, -0.0000288600000000, -0.0000804300000000 ] - [ 0.0000869600000000, -0.0002611400000000, 0.0001025600000000 ] - [ -0.0006412300000000, -0.0016541600000000, -0.0000874300000000 ] - [ -0.0012442300000000, 0.0011678500000000, -0.0001737100000000 ] - [ -0.0001863600000000, 0.0000000000000000, 0.0005478900000000 ] - [ -0.0005635300000000, 0.0000000000000000, 0.0007347400000000 ] - [ 0.0024820600000000, 0.0012232500000000, 0.0008934900000000 ] - [ -0.0003529400000000, 0.0000924000000000, -0.0003140800000000 ] - [ 0.0001323500000000, 0.0000462000000000, 0.0007632700000000 ] - [ -0.0012036500000000, -0.0041392900000000, -0.0029545200000000 ] - [ -0.0001359100000000, -0.0001353800000000, -0.0001539300000000 ] - [ -0.0026711800000000, 0.0000000000000000, 0.0003132300000000 ] - [ 0.0000323100000000, 0.0000000000000000, 0.0001949400000000 ] - [ -0.0006412300000000, 0.0016541600000000, -0.0000874300000000 ] - [ -0.0017081500000000, -0.0008462400000000, 0.0021804000000000 ] - [ -0.0003529400000000, -0.0000924000000000, -0.0003140800000000 ] - [ -0.0017081500000000, -0.0008462400000000, -0.0021804000000000 ] - [ 0.0000100100000000, 0.0000241700000000, -0.0002213100000000 ] - [ 0.0024820600000000, 0.0012232500000000, -0.0008934900000000 ] - [ 0.0002449000000000, -0.0000288600000000, 0.0000804300000000 ] - [ -0.0001863600000000, 0.0000000000000000, -0.0005478900000000 ] - [ -0.0012036500000000, -0.0041392900000000, 0.0029545200000000 ] - [ 0.0001323500000000, -0.0000462000000000, -0.0007632700000000 ] - [ 0.0002449000000000, 0.0000288600000000, -0.0000804300000000 ] - [ -0.0002830300000000, 0.0002420700000000, 0.0000608600000000 ] - [ 0.0024820600000000, -0.0012232500000000, 0.0008934900000000 ] - [ -0.0012442300000000, -0.0011678500000000, -0.0001737100000000 ] - [ 0.0000563100000000, 0.0000734800000000, 0.0002955800000000 ] - [ -0.0001019400000000, 0.0000000000000000, 0.0002602000000000 ] - [ 0.0000563100000000, -0.0000734800000000, -0.0002955800000000 ] - [ 0.0000869600000000, 0.0002611400000000, 0.0001025600000000 ] - [ 0.0000100100000000, -0.0000241700000000, -0.0002213100000000 ] - [ -0.0003529400000000, -0.0000924000000000, 0.0003140800000000 ] - [ -0.0017081500000000, 0.0008462400000000, 0.0021804000000000 ] - [ 0.0000869600000000, -0.0002611400000000, -0.0001025600000000 ] - [ 0.0000563100000000, 0.0000734800000000, -0.0002955800000000 ] - [ -0.0012036500000000, 0.0041392900000000, 0.0029545200000000 ] - [ -0.0026711800000000, 0.0000000000000000, -0.0003132300000000 ] - [ -0.0005635300000000, 0.0000000000000000, -0.0007347400000000 ] - [ 0.0001323500000000, 0.0000462000000000, -0.0007632700000000 ] - [ -0.0001019400000000, 0.0000000000000000, -0.0002602000000000 ] - [ 0.0000563100000000, -0.0000734800000000, 0.0002955800000000 ] - [ -0.0002830300000000, -0.0002420700000000, 0.0000608600000000 ] - [ -0.0001359100000000, -0.0001353800000000, 0.0001539300000000 ] - [ 0.0000323100000000, 0.0000000000000000, -0.0001949400000000 ] - [ -0.0006412300000000, 0.0016541600000000, 0.0000874300000000 ] - [ 0.0000100100000000, -0.0000241700000000, 0.0002213100000000 ] - [ -0.0012442300000000, -0.0011678500000000, 0.0001737100000000 ] - [ 0.0017408600000000, 0.0012729300000000, -0.0011392600000000 ] - [ 0.0002831900000000, -0.0007348300000000, -0.0015219600000000 ] - [ 0.0000768700000000, -0.0000906900000000, 0.0000622200000000 ] - [ -0.0000663800000000, -0.0000108800000000, -0.0000778200000000 ] - [ -0.0000254900000000, 0.0000195500000000, -0.0002761600000000 ] - [ 0.0008547100000000, -0.0003037000000000, -0.0002752700000000 ] - [ -0.0000254900000000, -0.0000195500000000, 0.0002761600000000 ] - [ -0.0000573700000000, 0.0003313800000000, -0.0000660900000000 ] - [ 0.0001078300000000, 0.0001945200000000, 0.0000000000000000 ] - [ -0.0002205400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000846600000000, -0.0000610400000000, -0.0001904300000000 ] - [ 0.0000511000000000, -0.0001308400000000, 0.0000425800000000 ] - [ -0.0000925900000000, 0.0011445300000000, 0.0002067500000000 ] - [ 0.0009525400000000, 0.0007375400000000, -0.0003212800000000 ] - [ -0.0000776500000000, 0.0002110100000000, 0.0003861600000000 ] - [ 0.0017408600000000, -0.0012729300000000, 0.0011392600000000 ] - [ -0.0000254900000000, 0.0000195500000000, 0.0002761600000000 ] - [ 0.0003964900000000, 0.0000000000000000, -0.0002400000000000 ] - [ 0.0052273400000000, 0.0000000000000000, 0.0137381800000000 ] - [ 0.0002831900000000, 0.0007348300000000, -0.0015219600000000 ] - [ 0.0000616400000000, 0.0000756000000000, 0.0000222000000000 ] - [ 0.0013762500000000, 0.0000000000000000, -0.0017441500000000 ] - [ -0.0000776500000000, -0.0002110100000000, 0.0003861600000000 ] - [ -0.0000846600000000, -0.0000610400000000, 0.0001904300000000 ] - [ 0.0000735800000000, -0.0000079800000000, -0.0001608000000000 ] - [ 0.0000616400000000, 0.0000756000000000, -0.0000222000000000 ] - [ -0.0001660600000000, 0.0002775100000000, 0.0000000000000000 ] - [ -0.0010688100000000, 0.0007749600000000, -0.0004884300000000 ] - [ 0.0000596100000000, -0.0004807600000000, -0.0003069900000000 ] - [ 0.0001078300000000, -0.0001945200000000, 0.0000000000000000 ] - [ -0.0010688100000000, 0.0007749600000000, 0.0004884300000000 ] - [ 0.0000768700000000, 0.0000906900000000, -0.0000622200000000 ] - [ 0.0008547100000000, -0.0003037000000000, 0.0002752700000000 ] - [ -0.0000254900000000, -0.0000195500000000, -0.0002761600000000 ] - [ -0.0000573700000000, -0.0003313800000000, -0.0000660900000000 ] - [ -0.0000922000000000, -0.0000317500000000, -0.0000882900000000 ] - [ 0.0003964900000000, 0.0000000000000000, 0.0002400000000000 ] - [ 0.0008547100000000, 0.0003037000000000, -0.0002752700000000 ] - [ -0.0000776500000000, -0.0002110100000000, -0.0003861600000000 ] - [ 0.0023435900000000, 0.0000000000000000, -0.0016318300000000 ] - [ 0.0000597200000000, 0.0000000000000000, -0.0002547300000000 ] - [ 0.0002831900000000, -0.0007348300000000, 0.0015219600000000 ] - [ 0.0000768700000000, 0.0000906900000000, 0.0000622200000000 ] - [ -0.0000922000000000, 0.0000317500000000, -0.0000882900000000 ] - [ 0.0000735800000000, 0.0000079800000000, 0.0001608000000000 ] - [ -0.0002165600000000, -0.0003486800000000, -0.0001650600000000 ] - [ 0.0009890600000000, -0.0011263800000000, 0.0000000000000000 ] - [ -0.0002165600000000, 0.0003486800000000, 0.0001650600000000 ] - [ -0.0002165600000000, 0.0003486800000000, -0.0001650600000000 ] - [ -0.0031816300000000, -0.0042342600000000, -0.0066033000000000 ] - [ -0.0000925900000000, -0.0011445300000000, -0.0002067500000000 ] - [ -0.0031816300000000, 0.0042342600000000, -0.0066033000000000 ] - [ -0.0000663800000000, -0.0000108800000000, 0.0000778200000000 ] - [ 0.0009890600000000, 0.0011263800000000, 0.0000000000000000 ] - [ -0.0000846600000000, 0.0000610400000000, 0.0001904300000000 ] - [ 0.0000511000000000, -0.0001308400000000, -0.0000425800000000 ] - [ 0.0001783000000000, 0.0000000000000000, -0.0011002800000000 ] - [ 0.0003896800000000, 0.0000000000000000, -0.0001465600000000 ] - [ -0.0031816300000000, -0.0042342600000000, 0.0066033000000000 ] - [ 0.0002831900000000, 0.0007348300000000, 0.0015219600000000 ] - [ 0.0000597200000000, 0.0000000000000000, 0.0002547300000000 ] - [ 0.0000596100000000, -0.0004807600000000, 0.0003069900000000 ] - [ 0.0000616400000000, -0.0000756000000000, 0.0000222000000000 ] - [ -0.0005689800000000, 0.0014612800000000, 0.0008215400000000 ] - [ -0.0001660600000000, -0.0002775100000000, 0.0000000000000000 ] - [ 0.0013762500000000, 0.0000000000000000, 0.0017441500000000 ] - [ 0.0023435900000000, 0.0000000000000000, 0.0016318300000000 ] - [ 0.0001783000000000, 0.0000000000000000, 0.0011002800000000 ] - [ 0.0000616400000000, -0.0000756000000000, -0.0000222000000000 ] - [ 0.0000735800000000, -0.0000079800000000, 0.0001608000000000 ] - [ 0.0000768700000000, -0.0000906900000000, -0.0000622200000000 ] - [ 0.0017408600000000, 0.0012729300000000, 0.0011392600000000 ] - [ 0.0052273400000000, 0.0000000000000000, -0.0137381800000000 ] - [ 0.0009525400000000, -0.0007375400000000, 0.0003212800000000 ] - [ 0.0000735800000000, 0.0000079800000000, -0.0001608000000000 ] - [ -0.0000846600000000, 0.0000610400000000, -0.0001904300000000 ] - [ -0.0000573700000000, 0.0003313800000000, 0.0000660900000000 ] - [ -0.0000663800000000, 0.0000108800000000, 0.0000778200000000 ] - [ -0.0005689800000000, -0.0014612800000000, -0.0008215400000000 ] - [ 0.0008547100000000, 0.0003037000000000, 0.0002752700000000 ] - [ -0.0031816300000000, 0.0042342600000000, 0.0066033000000000 ] - [ -0.0002165600000000, -0.0003486800000000, 0.0001650600000000 ] - [ 0.0003896800000000, 0.0000000000000000, 0.0001465600000000 ] - [ -0.0010688100000000, -0.0007749600000000, -0.0004884300000000 ] - [ -0.0010688100000000, -0.0007749600000000, 0.0004884300000000 ] - [ -0.0005689800000000, 0.0014612800000000, -0.0008215400000000 ] - [ 0.0000596100000000, 0.0004807600000000, 0.0003069900000000 ] - [ 0.0009525400000000, 0.0007375400000000, 0.0003212800000000 ] - [ 0.0000511000000000, 0.0001308400000000, 0.0000425800000000 ] - [ -0.0000925900000000, -0.0011445300000000, 0.0002067500000000 ] - [ 0.0000511000000000, 0.0001308400000000, -0.0000425800000000 ] - [ -0.0000663800000000, 0.0000108800000000, -0.0000778200000000 ] - [ -0.0000925900000000, 0.0011445300000000, -0.0002067500000000 ] - [ 0.0003254900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017408600000000, -0.0012729300000000, -0.0011392600000000 ] - [ -0.0333329900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000922000000000, -0.0000317500000000, 0.0000882900000000 ] - [ 0.0009525400000000, -0.0007375400000000, -0.0003212800000000 ] - [ 0.0000596100000000, 0.0004807600000000, -0.0003069900000000 ] - [ -0.0000573700000000, -0.0003313800000000, 0.0000660900000000 ] - [ -0.0000776500000000, 0.0002110100000000, -0.0003861600000000 ] - [ -0.0000922000000000, 0.0000317500000000, 0.0000882900000000 ] - [ -0.0005689800000000, -0.0014612800000000, 0.0008215400000000 ]- atom: 167 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001012200000000, -0.0066967100000000, 0.0000000000000000 ] - [ 0.0000079300000000, 0.0000052400000000, 0.0000000000000000 ] - [ -0.0004429300000000, 0.0000000000000000, 0.0002009200000000 ] - [ 0.0114526400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001012200000000, 0.0066967100000000, 0.0000000000000000 ] - [ 0.0000079300000000, -0.0000052400000000, 0.0000000000000000 ] - [ -0.0004429300000000, 0.0000000000000000, -0.0002009200000000 ] - [ 0.0012450000000000, -0.0011763100000000, 0.0001737400000000 ] - [ -0.0000370000000000, 0.0001741200000000, -0.0001356000000000 ] - [ -0.0224409400000000, 0.0000000000000000, -0.0000866600000000 ] - [ 0.0013361000000000, -0.0039419600000000, 0.0030407400000000 ] - [ -0.0000281400000000, 0.0000139100000000, 0.0002029100000000 ] - [ -0.0224409400000000, 0.0000000000000000, 0.0000866600000000 ] - [ 0.0003556500000000, -0.0000941700000000, 0.0003138600000000 ] - [ -0.0027387500000000, 0.0012182500000000, 0.0008223200000000 ] - [ 0.0018356600000000, -0.0006131500000000, 0.0020993000000000 ] - [ -0.0000659100000000, 0.0003502700000000, -0.0000423300000000 ] - [ -0.0000208800000000, -0.0003764400000000, -0.0005236100000000 ] - [ -0.0000370000000000, -0.0001741200000000, -0.0001356000000000 ] - [ -0.0000553600000000, 0.0001850900000000, -0.0001127000000000 ] - [ 0.0002756600000000, 0.0000398900000000, 0.0001169100000000 ] - [ 0.0003635200000000, 0.0011735100000000, -0.0001827600000000 ] - [ -0.0000659100000000, 0.0003502700000000, 0.0000423300000000 ] - [ 0.0002756600000000, -0.0000398900000000, -0.0001169100000000 ] - [ -0.0000208800000000, 0.0003764400000000, 0.0005236100000000 ] - [ 0.0003635200000000, 0.0011735100000000, 0.0001827600000000 ] - [ 0.0012450000000000, -0.0011763100000000, -0.0001737400000000 ] - [ 0.0000261100000000, 0.0000000000000000, -0.0012038000000000 ] - [ 0.0004331200000000, 0.0000000000000000, -0.0001076800000000 ] - [ -0.0027387500000000, -0.0012182500000000, -0.0008223200000000 ] - [ 0.0003556500000000, -0.0000941700000000, -0.0003138600000000 ] - [ -0.0000553600000000, -0.0001850900000000, -0.0001127000000000 ] - [ 0.0013361000000000, 0.0039419600000000, 0.0030407400000000 ] - [ -0.0000659100000000, -0.0003502700000000, -0.0000423300000000 ] - [ 0.0032310200000000, 0.0000000000000000, -0.0002269900000000 ] - [ 0.0000117500000000, 0.0000000000000000, 0.0002307900000000 ] - [ 0.0003635200000000, -0.0011735100000000, 0.0001827600000000 ] - [ 0.0018356600000000, 0.0006131500000000, -0.0020993000000000 ] - [ 0.0003556500000000, 0.0000941700000000, -0.0003138600000000 ] - [ 0.0018356600000000, 0.0006131500000000, 0.0020993000000000 ] - [ -0.0000281400000000, 0.0000139100000000, -0.0002029100000000 ] - [ -0.0027387500000000, -0.0012182500000000, 0.0008223200000000 ] - [ 0.0002756600000000, -0.0000398900000000, 0.0001169100000000 ] - [ 0.0000261100000000, 0.0000000000000000, 0.0012038000000000 ] - [ 0.0013361000000000, 0.0039419600000000, -0.0030407400000000 ] - [ -0.0000553600000000, 0.0001850900000000, 0.0001127000000000 ] - [ 0.0002756600000000, 0.0000398900000000, -0.0001169100000000 ] - [ -0.0000370000000000, 0.0001741200000000, 0.0001356000000000 ] - [ -0.0027387500000000, 0.0012182500000000, -0.0008223200000000 ] - [ 0.0012450000000000, 0.0011763100000000, -0.0001737400000000 ] - [ 0.0000389900000000, 0.0000910700000000, 0.0002722000000000 ] - [ -0.0000887300000000, 0.0000000000000000, 0.0003076000000000 ] - [ 0.0000389900000000, -0.0000910700000000, -0.0002722000000000 ] - [ -0.0000208800000000, -0.0003764400000000, 0.0005236100000000 ] - [ -0.0000281400000000, -0.0000139100000000, -0.0002029100000000 ] - [ 0.0003556500000000, 0.0000941700000000, 0.0003138600000000 ] - [ 0.0018356600000000, -0.0006131500000000, -0.0020993000000000 ] - [ -0.0000208800000000, 0.0003764400000000, -0.0005236100000000 ] - [ 0.0000389900000000, 0.0000910700000000, -0.0002722000000000 ] - [ 0.0013361000000000, -0.0039419600000000, -0.0030407400000000 ] - [ 0.0032310200000000, 0.0000000000000000, 0.0002269900000000 ] - [ 0.0004331200000000, 0.0000000000000000, 0.0001076800000000 ] - [ -0.0000553600000000, -0.0001850900000000, 0.0001127000000000 ] - [ -0.0000887300000000, 0.0000000000000000, -0.0003076000000000 ] - [ 0.0000389900000000, -0.0000910700000000, 0.0002722000000000 ] - [ -0.0000370000000000, -0.0001741200000000, 0.0001356000000000 ] - [ -0.0000659100000000, -0.0003502700000000, 0.0000423300000000 ] - [ 0.0000117500000000, 0.0000000000000000, -0.0002307900000000 ] - [ 0.0003635200000000, -0.0011735100000000, -0.0001827600000000 ] - [ -0.0000281400000000, -0.0000139100000000, 0.0002029100000000 ] - [ 0.0012450000000000, 0.0011763100000000, 0.0001737400000000 ] - [ -0.0019554800000000, -0.0011688300000000, 0.0007392900000000 ] - [ -0.0002251000000000, 0.0006330700000000, 0.0006596500000000 ] - [ 0.0000822000000000, -0.0000854700000000, 0.0000673600000000 ] - [ -0.0000813500000000, 0.0002675500000000, -0.0001864200000000 ] - [ 0.0000087800000000, -0.0000493200000000, -0.0002618400000000 ] - [ -0.0007567600000000, 0.0001170700000000, 0.0003388900000000 ] - [ 0.0000087800000000, 0.0000493200000000, 0.0002618400000000 ] - [ 0.0001663100000000, -0.0005093900000000, -0.0000009900000000 ] - [ 0.0001118500000000, 0.0001885100000000, 0.0000000000000000 ] - [ -0.0002272400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002005100000000, 0.0000578300000000, -0.0001801300000000 ] - [ 0.0000224100000000, -0.0000954300000000, 0.0000859700000000 ] - [ 0.0002947600000000, -0.0010189700000000, -0.0006172500000000 ] - [ -0.0009429700000000, -0.0004964800000000, 0.0007326800000000 ] - [ 0.0000263800000000, -0.0001102200000000, -0.0000173300000000 ] - [ -0.0019554800000000, 0.0011688300000000, -0.0007392900000000 ] - [ 0.0000087800000000, -0.0000493200000000, 0.0002618400000000 ] - [ -0.0001012000000000, 0.0000000000000000, -0.0000231800000000 ] - [ -0.0045280200000000, 0.0000000000000000, -0.0134528100000000 ] - [ -0.0002251000000000, -0.0006330700000000, 0.0006596500000000 ] - [ -0.0001240800000000, 0.0000194800000000, -0.0003918100000000 ] - [ -0.0015013900000000, 0.0000000000000000, 0.0026178400000000 ] - [ 0.0000263800000000, 0.0001102200000000, -0.0000173300000000 ] - [ 0.0002005100000000, 0.0000578300000000, 0.0001801300000000 ] - [ -0.0000730700000000, 0.0000070400000000, -0.0001609200000000 ] - [ -0.0001240800000000, 0.0000194800000000, 0.0003918100000000 ] - [ -0.0001557300000000, 0.0002831000000000, 0.0000000000000000 ] - [ 0.0011033600000000, -0.0007231500000000, 0.0005716100000000 ] - [ -0.0002695900000000, 0.0004777900000000, 0.0002416000000000 ] - [ 0.0001118500000000, -0.0001885100000000, 0.0000000000000000 ] - [ 0.0011033600000000, -0.0007231500000000, -0.0005716100000000 ] - [ 0.0000822000000000, 0.0000854700000000, -0.0000673600000000 ] - [ -0.0007567600000000, 0.0001170700000000, -0.0003388900000000 ] - [ 0.0000087800000000, 0.0000493200000000, -0.0002618400000000 ] - [ 0.0001663100000000, 0.0005093900000000, -0.0000009900000000 ] - [ -0.0001391800000000, -0.0000174100000000, -0.0000403100000000 ] - [ -0.0001012000000000, 0.0000000000000000, 0.0000231800000000 ] - [ -0.0007567600000000, -0.0001170700000000, 0.0003388900000000 ] - [ 0.0000263800000000, 0.0001102200000000, 0.0000173300000000 ] - [ -0.0020917500000000, 0.0000000000000000, 0.0016299300000000 ] - [ -0.0000250800000000, 0.0000000000000000, -0.0002841000000000 ] - [ -0.0002251000000000, 0.0006330700000000, -0.0006596500000000 ] - [ 0.0000822000000000, 0.0000854700000000, 0.0000673600000000 ] - [ -0.0001391800000000, 0.0000174100000000, -0.0000403100000000 ] - [ -0.0000730700000000, -0.0000070400000000, 0.0001609200000000 ] - [ -0.0001903200000000, -0.0003482100000000, -0.0001528900000000 ] - [ -0.0009938200000000, 0.0011370600000000, 0.0000000000000000 ] - [ -0.0001903200000000, 0.0003482100000000, 0.0001528900000000 ] - [ -0.0001903200000000, 0.0003482100000000, -0.0001528900000000 ] - [ 0.0027932500000000, 0.0048480700000000, 0.0069919600000000 ] - [ 0.0002947600000000, 0.0010189700000000, 0.0006172500000000 ] - [ 0.0027932500000000, -0.0048480700000000, 0.0069919600000000 ] - [ -0.0000813500000000, 0.0002675500000000, 0.0001864200000000 ] - [ -0.0009938200000000, -0.0011370600000000, 0.0000000000000000 ] - [ 0.0002005100000000, -0.0000578300000000, 0.0001801300000000 ] - [ 0.0000224100000000, -0.0000954300000000, -0.0000859700000000 ] - [ -0.0002440300000000, 0.0000000000000000, 0.0010202700000000 ] - [ 0.0004165100000000, 0.0000000000000000, -0.0001703300000000 ] - [ 0.0027932500000000, 0.0048480700000000, -0.0069919600000000 ] - [ -0.0002251000000000, -0.0006330700000000, -0.0006596500000000 ] - [ -0.0000250800000000, 0.0000000000000000, 0.0002841000000000 ] - [ -0.0002695900000000, 0.0004777900000000, -0.0002416000000000 ] - [ -0.0001240800000000, -0.0000194800000000, -0.0003918100000000 ] - [ 0.0004448700000000, -0.0016847700000000, -0.0008101100000000 ] - [ -0.0001557300000000, -0.0002831000000000, 0.0000000000000000 ] - [ -0.0015013900000000, 0.0000000000000000, -0.0026178400000000 ] - [ -0.0020917500000000, 0.0000000000000000, -0.0016299300000000 ] - [ -0.0002440300000000, 0.0000000000000000, -0.0010202700000000 ] - [ -0.0001240800000000, -0.0000194800000000, 0.0003918100000000 ] - [ -0.0000730700000000, 0.0000070400000000, 0.0001609200000000 ] - [ 0.0000822000000000, -0.0000854700000000, -0.0000673600000000 ] - [ -0.0019554800000000, -0.0011688300000000, -0.0007392900000000 ] - [ -0.0045280200000000, 0.0000000000000000, 0.0134528100000000 ] - [ -0.0009429700000000, 0.0004964800000000, -0.0007326800000000 ] - [ -0.0000730700000000, -0.0000070400000000, -0.0001609200000000 ] - [ 0.0002005100000000, -0.0000578300000000, -0.0001801300000000 ] - [ 0.0001663100000000, -0.0005093900000000, 0.0000009900000000 ] - [ -0.0000813500000000, -0.0002675500000000, 0.0001864200000000 ] - [ 0.0004448700000000, 0.0016847700000000, 0.0008101100000000 ] - [ -0.0007567600000000, -0.0001170700000000, -0.0003388900000000 ] - [ 0.0027932500000000, -0.0048480700000000, -0.0069919600000000 ] - [ -0.0001903200000000, -0.0003482100000000, 0.0001528900000000 ] - [ 0.0004165100000000, 0.0000000000000000, 0.0001703300000000 ] - [ 0.0011033600000000, 0.0007231500000000, 0.0005716100000000 ] - [ 0.0011033600000000, 0.0007231500000000, -0.0005716100000000 ] - [ 0.0004448700000000, -0.0016847700000000, 0.0008101100000000 ] - [ -0.0002695900000000, -0.0004777900000000, -0.0002416000000000 ] - [ -0.0009429700000000, -0.0004964800000000, -0.0007326800000000 ] - [ 0.0000224100000000, 0.0000954300000000, 0.0000859700000000 ] - [ 0.0002947600000000, 0.0010189700000000, -0.0006172500000000 ] - [ 0.0000224100000000, 0.0000954300000000, -0.0000859700000000 ] - [ -0.0000813500000000, -0.0002675500000000, -0.0001864200000000 ] - [ 0.0002947600000000, -0.0010189700000000, 0.0006172500000000 ] - [ 0.0003273600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0019554800000000, 0.0011688300000000, 0.0007392900000000 ] - [ 0.0334376000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001391800000000, -0.0000174100000000, 0.0000403100000000 ] - [ -0.0009429700000000, 0.0004964800000000, 0.0007326800000000 ] - [ -0.0002695900000000, -0.0004777900000000, 0.0002416000000000 ] - [ 0.0001663100000000, 0.0005093900000000, 0.0000009900000000 ] - [ 0.0000263800000000, -0.0001102200000000, 0.0000173300000000 ] - [ -0.0001391800000000, 0.0000174100000000, 0.0000403100000000 ] - [ 0.0004448700000000, 0.0016847700000000, -0.0008101100000000 ]- atom: 167 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000377200000000, -0.0000653400000000, 0.0140842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024383400000000 ] - [ -0.0000754400000000, 0.0000000000000000, 0.0140842600000000 ] - [ 0.0000377200000000, 0.0000653400000000, 0.0140842600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049845100000000 ] - [ 0.0000464000000000, 0.0003379800000000, -0.0024177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1602121500000000 ] - [ -0.0039087900000000, 0.0051403500000000, -0.0026983200000000 ] - [ -0.0000472700000000, 0.0000818700000000, -0.0020014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1721144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010092600000000 ] - [ 0.0022635300000000, -0.0059994300000000, -0.0027806000000000 ] - [ -0.0063274200000000, 0.0010394400000000, -0.0027806000000000 ] - [ -0.0003159000000000, 0.0001288100000000, -0.0024177400000000 ] - [ 0.0004749900000000, -0.0008227100000000, -0.0024527100000000 ] - [ 0.0000464000000000, -0.0003379800000000, -0.0024177400000000 ] - [ 0.0001792000000000, 0.0003103800000000, -0.0020256600000000 ] - [ 0.0002513600000000, 0.0002780200000000, -0.0022198900000000 ] - [ -0.0001642800000000, -0.0002845400000000, 0.0003251100000000 ] - [ 0.0001150900000000, 0.0003566900000000, -0.0022198900000000 ] - [ 0.0002695000000000, 0.0002091700000000, -0.0024177400000000 ] - [ -0.0004064800000000, -0.0007040500000000, -0.0018268300000000 ] - [ -0.0001162700000000, -0.0002013900000000, 0.0004320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046592800000000 ] - [ 0.0002004400000000, 0.0000000000000000, -0.0026797600000000 ] - [ 0.0008129700000000, 0.0000000000000000, -0.0018268300000000 ] - [ -0.0024972800000000, -0.0059552900000000, -0.0026983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016321500000000 ] - [ 0.0001792000000000, -0.0003103800000000, -0.0020256600000000 ] - [ -0.0039087900000000, -0.0051403500000000, -0.0026983200000000 ] - [ -0.0003159000000000, -0.0001288100000000, -0.0024177400000000 ] - [ 0.0002325400000000, 0.0000000000000000, 0.0004320600000000 ] - [ 0.0000945400000000, 0.0000000000000000, -0.0020014200000000 ] - [ -0.0001162700000000, 0.0002013900000000, 0.0004320600000000 ] - [ 0.0064060700000000, 0.0008149300000000, -0.0026983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016321500000000 ] - [ -0.0063274200000000, -0.0010394400000000, -0.0027806000000000 ] - [ 0.0000255200000000, -0.0000442100000000, -0.0024290600000000 ] - [ 0.0022635300000000, 0.0059994300000000, -0.0027806000000000 ] - [ 0.0002513600000000, -0.0002780200000000, -0.0022198900000000 ] - [ -0.0003584000000000, 0.0000000000000000, -0.0020256600000000 ] - [ 0.0040638900000000, 0.0049599900000000, -0.0027806000000000 ] - [ -0.0001002200000000, -0.0001735900000000, -0.0026797600000000 ] - [ 0.0002695000000000, -0.0002091700000000, -0.0024177400000000 ] - [ -0.0003664500000000, 0.0000786700000000, -0.0022198900000000 ] - [ -0.0024972800000000, 0.0059552900000000, -0.0026983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046592800000000 ] - [ 0.0000184200000000, 0.0000319000000000, -0.0020219600000000 ] - [ -0.0000368300000000, 0.0000000000000000, -0.0020219600000000 ] - [ 0.0000770600000000, -0.0001334600000000, -0.0025877500000000 ] - [ -0.0004064800000000, 0.0007040500000000, -0.0018268300000000 ] - [ 0.0000255200000000, 0.0000442100000000, -0.0024290600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010092600000000 ] - [ 0.0064060700000000, -0.0008149300000000, -0.0026983200000000 ] - [ 0.0004749900000000, 0.0008227100000000, -0.0024527100000000 ] - [ 0.0000770600000000, 0.0001334600000000, -0.0025877500000000 ] - [ 0.0040638900000000, -0.0049599900000000, -0.0027806000000000 ] - [ 0.0003285500000000, 0.0000000000000000, 0.0003251100000000 ] - [ -0.0009499800000000, 0.0000000000000000, -0.0024527100000000 ] - [ -0.0001002200000000, 0.0001735900000000, -0.0026797600000000 ] - [ -0.0001541100000000, 0.0000000000000000, -0.0025877500000000 ] - [ 0.0000184200000000, -0.0000319000000000, -0.0020219600000000 ] - [ -0.0003664500000000, -0.0000786700000000, -0.0022198900000000 ] - [ 0.0001150900000000, -0.0003566900000000, -0.0022198900000000 ] - [ -0.0000510500000000, 0.0000000000000000, -0.0024290600000000 ] - [ -0.0001642800000000, 0.0002845400000000, 0.0003251100000000 ] - [ -0.0000472700000000, -0.0000818700000000, -0.0020014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049845100000000 ] - [ -0.0016173100000000, -0.0007893300000000, -0.0024020600000000 ] - [ -0.0010765700000000, 0.0018646700000000, 0.0021555600000000 ] - [ -0.0000469600000000, -0.0002676800000000, 0.0016541300000000 ] - [ 0.0000020900000000, -0.0000036100000000, 0.0013214700000000 ] - [ 0.0001645500000000, 0.0002850000000000, 0.0012200000000000 ] - [ -0.0003370300000000, 0.0003413600000000, 0.0006473500000000 ] - [ -0.0001817700000000, 0.0003148300000000, 0.0017587200000000 ] - [ 0.0002377500000000, -0.0006449500000000, 0.0005770800000000 ] - [ 0.0001105400000000, 0.0001914700000000, 0.0020752100000000 ] - [ -0.0002210900000000, 0.0000000000000000, 0.0020752100000000 ] - [ 0.0000156500000000, 0.0004611100000000, 0.0013167300000000 ] - [ 0.0002552900000000, -0.0000931700000000, 0.0016541300000000 ] - [ 0.0001250800000000, 0.0017953000000000, -0.0024020600000000 ] - [ -0.0014722600000000, -0.0007611900000000, -0.0019764600000000 ] - [ 0.0003535600000000, 0.0003183400000000, 0.0016869100000000 ] - [ 0.0013953400000000, -0.0008944200000000, -0.0019764600000000 ] - [ -0.0001817700000000, -0.0003148300000000, 0.0017587200000000 ] - [ -0.0000041700000000, 0.0000000000000000, 0.0013214700000000 ] - [ 0.0145589400000000, 0.0000000000000000, 0.0138755400000000 ] - [ -0.0010765700000000, -0.0018646700000000, 0.0021555600000000 ] - [ 0.0003915000000000, 0.0002441100000000, 0.0013167300000000 ] - [ -0.0022870700000000, 0.0000000000000000, 0.0030335100000000 ] - [ 0.0003535600000000, -0.0003183400000000, 0.0016869100000000 ] - [ 0.0000989100000000, -0.0004653600000000, 0.0016869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014179000000000 ] - [ -0.0004524700000000, -0.0001470200000000, 0.0016869100000000 ] - [ -0.0001613200000000, 0.0002794100000000, 0.0019883400000000 ] - [ -0.0006626900000000, -0.0011478200000000, 0.0026231000000000 ] - [ -0.0006774200000000, 0.0001165800000000, 0.0005770800000000 ] - [ 0.0001105400000000, -0.0001914700000000, 0.0020752100000000 ] - [ 0.0006889900000000, 0.0011933600000000, 0.0025346800000000 ] - [ 0.0002055100000000, -0.0000909800000000, 0.0015246800000000 ] - [ 0.0004396700000000, -0.0005283700000000, 0.0005770800000000 ] - [ 0.0001645500000000, -0.0002850000000000, 0.0012200000000000 ] - [ 0.0002377500000000, 0.0006449500000000, 0.0005770800000000 ] - [ -0.0000239700000000, -0.0002234600000000, 0.0015246800000000 ] - [ 0.0003000200000000, 0.0000000000000000, 0.0015865800000000 ] - [ -0.0003370300000000, -0.0003413600000000, 0.0006473500000000 ] - [ -0.0004071500000000, 0.0002170000000000, 0.0013167300000000 ] - [ -0.0026282800000000, 0.0000000000000000, -0.0000671400000000 ] - [ -0.0003290900000000, 0.0000000000000000, 0.0012200000000000 ] - [ 0.0011435300000000, -0.0019806600000000, 0.0030335100000000 ] - [ -0.0000469600000000, 0.0002676800000000, 0.0016541300000000 ] - [ -0.0000239700000000, 0.0002234600000000, 0.0015246800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017362900000000 ] - [ -0.0002031700000000, -0.0003519100000000, 0.0010032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052201700000000 ] - [ -0.0002002900000000, 0.0003469100000000, 0.0013219700000000 ] - [ -0.0002031700000000, 0.0003519100000000, 0.0010032100000000 ] - [ -0.0072794700000000, 0.0126084200000000, 0.0138755400000000 ] - [ 0.0000769300000000, 0.0016556100000000, -0.0019764600000000 ] - [ -0.0072794700000000, -0.0126084200000000, 0.0138755400000000 ] - [ -0.0001500100000000, 0.0002598300000000, 0.0015865800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052201700000000 ] - [ 0.0000989100000000, 0.0004653600000000, 0.0016869100000000 ] - [ -0.0001815400000000, -0.0001324900000000, 0.0015246800000000 ] - [ -0.0013779800000000, 0.0000000000000000, 0.0025346800000000 ] - [ 0.0004063500000000, 0.0000000000000000, 0.0010032100000000 ] - [ 0.0070038800000000, -0.0121310800000000, 0.0136266700000000 ] - [ 0.0011435300000000, 0.0019806600000000, 0.0030335100000000 ] - [ 0.0003635400000000, 0.0000000000000000, 0.0017587200000000 ] - [ 0.0004641400000000, -0.0001212000000000, 0.0006473500000000 ] - [ 0.0003915000000000, -0.0002441100000000, 0.0013167300000000 ] - [ 0.0013141400000000, 0.0022761600000000, -0.0000671400000000 ] - [ -0.0001613200000000, -0.0002794100000000, 0.0019883400000000 ] - [ 0.0021531400000000, 0.0000000000000000, 0.0021555600000000 ] - [ 0.0028951500000000, 0.0000000000000000, -0.0000889500000000 ] - [ 0.0013253800000000, 0.0000000000000000, 0.0026231000000000 ] - [ -0.0004524700000000, 0.0001470200000000, 0.0016869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017362900000000 ] - [ 0.0002055100000000, 0.0000909800000000, 0.0015246800000000 ] - [ 0.0013953400000000, 0.0008944200000000, -0.0019764600000000 ] - [ -0.0140077600000000, 0.0000000000000000, 0.0136266700000000 ] - [ 0.0014922300000000, -0.0010059700000000, -0.0024020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014179000000000 ] - [ 0.0000156500000000, -0.0004611100000000, 0.0013167300000000 ] - [ -0.0001271100000000, 0.0004625600000000, 0.0006473500000000 ] - [ -0.0001500100000000, -0.0002598300000000, 0.0015865800000000 ] - [ -0.0014475700000000, 0.0025072700000000, -0.0000889500000000 ] - [ 0.0004396700000000, 0.0005283700000000, 0.0005770800000000 ] - [ 0.0070038800000000, 0.0121310800000000, 0.0136266700000000 ] - [ -0.0002002900000000, -0.0003469100000000, 0.0013219700000000 ] - [ 0.0004005700000000, 0.0000000000000000, 0.0013219700000000 ] - [ -0.0006626900000000, 0.0011478200000000, 0.0026231000000000 ] - [ 0.0006889900000000, -0.0011933600000000, 0.0025346800000000 ] - [ -0.0014475700000000, -0.0025072700000000, -0.0000889500000000 ] - [ 0.0004641400000000, 0.0001212000000000, 0.0006473500000000 ] - [ 0.0014922300000000, 0.0010059700000000, -0.0024020600000000 ] - [ 0.0002552900000000, 0.0000931700000000, 0.0016541300000000 ] - [ 0.0001250800000000, -0.0017953000000000, -0.0024020600000000 ] - [ -0.0001815400000000, 0.0001324900000000, 0.0015246800000000 ] - [ 0.0000020900000000, 0.0000036100000000, 0.0013214700000000 ] - [ 0.0000769300000000, -0.0016556100000000, -0.0019764600000000 ] - [ 0.0003226400000000, 0.0000000000000000, 0.0019883400000000 ] - [ -0.0016173100000000, 0.0007893300000000, -0.0024020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4294961300000000 ] - [ -0.0002083400000000, 0.0001745000000000, 0.0016541300000000 ] - [ -0.0014722600000000, 0.0007611900000000, -0.0019764600000000 ] - [ -0.0006774200000000, -0.0001165800000000, 0.0005770800000000 ] - [ -0.0001271100000000, -0.0004625600000000, 0.0006473500000000 ] - [ -0.0004071500000000, -0.0002170000000000, 0.0013167300000000 ] - [ -0.0002083400000000, -0.0001745000000000, 0.0016541300000000 ] - [ 0.0013141400000000, -0.0022761600000000, -0.0000671400000000 ]