# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/83f1c55f-e134-48f3-b263-af697ef00271/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 KAlSiO4 / P6_3 (173) / materials id 680374](https://mdr.nims.go.jp/datasets/81004dff-bb41-4abd-9180-16ad37ad811b) ## 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: "P6_3" number: 173 Hall_symbol: "P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 18.168329090000000, 0.000000020000000, 0.000000000000000 ] # a - [ -9.084164560000000, 15.734234539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.518142910000000 ] # c points: - symbol: K # 1 coordinates: [ 0.522164580000000, 0.995419350000000, 0.993006640000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.487233910000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.137619570000000, 0.805718060000000, 0.997310050000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.862380430000000, 0.194281940000000, 0.497310050000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.666600930000000, 0.812962740000000, 0.495397670000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.805718060000000, 0.668098490000000, 0.497310050000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.504865370000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.477835420000000, 0.004580650000000, 0.493006640000000 ] mass: 39.098300 - symbol: K # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.004865370000000 ] mass: 39.098300 - symbol: K # 10 coordinates: [ 0.668098490000000, 0.862380430000000, 0.997310050000000 ] mass: 39.098300 - symbol: K # 11 coordinates: [ 0.333399070000000, 0.187037260000000, 0.995397670000000 ] mass: 39.098300 - symbol: K # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.504519310000000 ] mass: 39.098300 - symbol: K # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.987233910000000 ] mass: 39.098300 - symbol: K # 14 coordinates: [ 0.526745230000000, 0.522164580000000, 0.493006640000000 ] mass: 39.098300 - symbol: K # 15 coordinates: [ 0.194281940000000, 0.331901510000000, 0.997310050000000 ] mass: 39.098300 - symbol: K # 16 coordinates: [ 0.331901510000000, 0.137619570000000, 0.497310050000000 ] mass: 39.098300 - symbol: K # 17 coordinates: [ 0.004580650000000, 0.526745230000000, 0.993006640000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.473254770000000, 0.477835420000000, 0.993006640000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.146361810000000, 0.333399070000000, 0.495397670000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.995419350000000, 0.473254770000000, 0.493006640000000 ] mass: 39.098300 - symbol: K # 21 coordinates: [ 0.187037260000000, 0.853638190000000, 0.495397670000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.004519310000000 ] mass: 39.098300 - symbol: K # 23 coordinates: [ 0.853638190000000, 0.666600930000000, 0.995397670000000 ] mass: 39.098300 - symbol: K # 24 coordinates: [ 0.812962740000000, 0.146361810000000, 0.995397670000000 ] mass: 39.098300 - symbol: Al # 25 coordinates: [ 0.163970170000000, 0.655174290000000, 0.295831790000000 ] mass: 26.981539 - symbol: Al # 26 coordinates: [ 0.174823790000000, 0.498616390000000, 0.795638900000000 ] mass: 26.981539 - symbol: Al # 27 coordinates: [ 0.830396190000000, 0.837894380000000, 0.811636850000000 ] mass: 26.981539 - symbol: Al # 28 coordinates: [ 0.344825710000000, 0.508795870000000, 0.295831790000000 ] mass: 26.981539 - symbol: Al # 29 coordinates: [ 0.668286610000000, 0.668102060000000, 0.183759880000000 ] mass: 26.981539 - symbol: Al # 30 coordinates: [ 0.837894380000000, 0.007498190000000, 0.311636850000000 ] mass: 26.981539 - symbol: Al # 31 coordinates: [ 0.007498190000000, 0.169603810000000, 0.811636850000000 ] mass: 26.981539 - symbol: Al # 32 coordinates: [ 0.331713390000000, 0.331897940000000, 0.683759880000000 ] mass: 26.981539 - symbol: Al # 33 coordinates: [ 0.000184560000000, 0.668286610000000, 0.683759880000000 ] mass: 26.981539 - symbol: Al # 34 coordinates: [ 0.491204130000000, 0.836029830000000, 0.295831790000000 ] mass: 26.981539 - symbol: Al # 35 coordinates: [ 0.162105620000000, 0.992501810000000, 0.811636850000000 ] mass: 26.981539 - symbol: Al # 36 coordinates: [ 0.676207390000000, 0.174823790000000, 0.295638900000000 ] mass: 26.981539 - symbol: Al # 37 coordinates: [ 0.668102060000000, 0.999815440000000, 0.683759880000000 ] mass: 26.981539 - symbol: Al # 38 coordinates: [ 0.169603810000000, 0.162105620000000, 0.311636850000000 ] mass: 26.981539 - symbol: Al # 39 coordinates: [ 0.331897940000000, 0.000184560000000, 0.183759880000000 ] mass: 26.981539 - symbol: Al # 40 coordinates: [ 0.825176210000000, 0.501383610000000, 0.295638900000000 ] mass: 26.981539 - symbol: Al # 41 coordinates: [ 0.498616390000000, 0.323792610000000, 0.295638900000000 ] mass: 26.981539 - symbol: Al # 42 coordinates: [ 0.655174290000000, 0.491204130000000, 0.795831790000000 ] mass: 26.981539 - symbol: Al # 43 coordinates: [ 0.999815440000000, 0.331713390000000, 0.183759880000000 ] mass: 26.981539 - symbol: Al # 44 coordinates: [ 0.992501810000000, 0.830396190000000, 0.311636850000000 ] mass: 26.981539 - symbol: Al # 45 coordinates: [ 0.323792610000000, 0.825176210000000, 0.795638900000000 ] mass: 26.981539 - symbol: Al # 46 coordinates: [ 0.836029830000000, 0.344825710000000, 0.795831790000000 ] mass: 26.981539 - symbol: Al # 47 coordinates: [ 0.501383610000000, 0.676207390000000, 0.795638900000000 ] mass: 26.981539 - symbol: Al # 48 coordinates: [ 0.508795870000000, 0.163970170000000, 0.795831790000000 ] mass: 26.981539 - symbol: Si # 49 coordinates: [ 0.665175080000000, 0.999664590000000, 0.293545550000000 ] mass: 28.085500 - symbol: Si # 50 coordinates: [ 0.173553030000000, 0.495651500000000, 0.177468080000000 ] mass: 28.085500 - symbol: Si # 51 coordinates: [ 0.836400800000000, 0.342272600000000, 0.177710670000000 ] mass: 28.085500 - symbol: Si # 52 coordinates: [ 0.495651500000000, 0.322098470000000, 0.677468080000000 ] mass: 28.085500 - symbol: Si # 53 coordinates: [ 0.168012130000000, 0.159703190000000, 0.694497390000000 ] mass: 28.085500 - symbol: Si # 54 coordinates: [ 0.159703190000000, 0.991691040000000, 0.194497390000000 ] mass: 28.085500 - symbol: Si # 55 coordinates: [ 0.504348500000000, 0.677901530000000, 0.177468080000000 ] mass: 28.085500 - symbol: Si # 56 coordinates: [ 0.505871760000000, 0.163599200000000, 0.177710670000000 ] mass: 28.085500 - symbol: Si # 57 coordinates: [ 0.334824920000000, 0.000335410000000, 0.793545550000000 ] mass: 28.085500 - symbol: Si # 58 coordinates: [ 0.840296810000000, 0.008308960000000, 0.694497390000000 ] mass: 28.085500 - symbol: Si # 59 coordinates: [ 0.991691040000000, 0.831987870000000, 0.694497390000000 ] mass: 28.085500 - symbol: Si # 60 coordinates: [ 0.322098470000000, 0.826446970000000, 0.177468080000000 ] mass: 28.085500 - symbol: Si # 61 coordinates: [ 0.334489520000000, 0.334824920000000, 0.293545550000000 ] mass: 28.085500 - symbol: Si # 62 coordinates: [ 0.999664590000000, 0.334489520000000, 0.793545550000000 ] mass: 28.085500 - symbol: Si # 63 coordinates: [ 0.665510480000000, 0.665175080000000, 0.793545550000000 ] mass: 28.085500 - symbol: Si # 64 coordinates: [ 0.657727400000000, 0.494128240000000, 0.177710670000000 ] mass: 28.085500 - symbol: Si # 65 coordinates: [ 0.163599200000000, 0.657727400000000, 0.677710670000000 ] mass: 28.085500 - symbol: Si # 66 coordinates: [ 0.831987870000000, 0.840296810000000, 0.194497390000000 ] mass: 28.085500 - symbol: Si # 67 coordinates: [ 0.494128240000000, 0.836400800000000, 0.677710670000000 ] mass: 28.085500 - symbol: Si # 68 coordinates: [ 0.677901530000000, 0.173553030000000, 0.677468080000000 ] mass: 28.085500 - symbol: Si # 69 coordinates: [ 0.000335410000000, 0.665510480000000, 0.293545550000000 ] mass: 28.085500 - symbol: Si # 70 coordinates: [ 0.342272600000000, 0.505871760000000, 0.677710670000000 ] mass: 28.085500 - symbol: Si # 71 coordinates: [ 0.826446970000000, 0.504348500000000, 0.677468080000000 ] mass: 28.085500 - symbol: Si # 72 coordinates: [ 0.008308960000000, 0.168012130000000, 0.194497390000000 ] mass: 28.085500 - symbol: O # 73 coordinates: [ 0.816167850000000, 0.853055760000000, 0.010209190000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.311877490000000, 0.405582700000000, 0.225512740000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.069890380000000, 0.429664040000000, 0.732749350000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.264946560000000, 0.240869800000000, 0.224907150000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.132076680000000, 0.063769000000000, 0.218427130000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.665297740000000, 0.995729980000000, 0.482082020000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.526042000000000, 0.766949400000000, 0.685047270000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.404328160000000, 0.799607120000000, 0.772508850000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.926349690000000, 0.359829070000000, 0.256144390000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.146944240000000, 0.963112070000000, 0.010209190000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.200392880000000, 0.604721060000000, 0.772508850000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.533521070000000, 0.269647670000000, 0.770714890000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.853055760000000, 0.036887930000000, 0.510209190000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.240869800000000, 0.975923230000000, 0.724907150000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.595671840000000, 0.200392880000000, 0.272508850000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.669567760000000, 0.665297740000000, 0.982082020000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.334702260000000, 0.004270020000000, 0.982082020000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.516755150000000, 0.706854500000000, 0.993337810000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.936231000000000, 0.068307670000000, 0.218427130000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.403971170000000, 0.301352600000000, 0.752345470000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.771021400000000, 0.741314730000000, 0.250619760000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.068307670000000, 0.132076680000000, 0.718427130000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.626721740000000, 0.477408570000000, 0.994658560000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.063769000000000, 0.931692330000000, 0.718427130000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.759092570000000, 0.526042000000000, 0.185047270000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.741314730000000, 0.970293340000000, 0.750619760000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.263873400000000, 0.533521070000000, 0.270714890000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.970293340000000, 0.228978600000000, 0.250619760000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.359829070000000, 0.433479380000000, 0.756144390000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.640226340000000, 0.069890380000000, 0.232749350000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.036887930000000, 0.183832150000000, 0.010209190000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.183832150000000, 0.146944240000000, 0.510209190000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.566520620000000, 0.926349690000000, 0.756144390000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.429664040000000, 0.359773660000000, 0.232749350000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.269647670000000, 0.736126600000000, 0.270714890000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.301352600000000, 0.897381440000000, 0.252345470000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.024076770000000, 0.264946560000000, 0.724907150000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.233050600000000, 0.759092570000000, 0.685047270000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.766949400000000, 0.240907430000000, 0.185047270000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.698647400000000, 0.102618560000000, 0.752345470000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.759130200000000, 0.024076770000000, 0.224907150000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.102618560000000, 0.403971170000000, 0.252345470000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.594417300000000, 0.906294800000000, 0.225512740000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.688122510000000, 0.594417300000000, 0.725512740000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.359773660000000, 0.930109620000000, 0.732749350000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.867923320000000, 0.936231000000000, 0.718427130000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.395278940000000, 0.595671840000000, 0.772508850000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.477408570000000, 0.850686820000000, 0.494658560000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.092763530000000, 0.193053870000000, 0.299533220000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.436738300000000, 0.576286640000000, 0.189259150000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.806946130000000, 0.899709680000000, 0.299533220000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.736126600000000, 0.466478930000000, 0.770714890000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.850686820000000, 0.373278260000000, 0.994658560000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.735053440000000, 0.759130200000000, 0.724907150000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.604721060000000, 0.404328160000000, 0.272508850000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.640170930000000, 0.566520620000000, 0.256144390000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.570335960000000, 0.640226340000000, 0.732749350000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.975923230000000, 0.735053440000000, 0.224907150000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.190099340000000, 0.483244850000000, 0.993337810000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.706854500000000, 0.190099340000000, 0.493337810000000 ] mass: 15.999400 - symbol: O # 133 coordinates: [ 0.149313180000000, 0.626721740000000, 0.494658560000000 ] mass: 15.999400 - symbol: O # 134 coordinates: [ 0.931692330000000, 0.867923320000000, 0.218427130000000 ] mass: 15.999400 - symbol: O # 135 coordinates: [ 0.563261700000000, 0.423713360000000, 0.689259150000000 ] mass: 15.999400 - symbol: O # 136 coordinates: [ 0.330432240000000, 0.334702260000000, 0.482082020000000 ] mass: 15.999400 - symbol: O # 137 coordinates: [ 0.293145500000000, 0.809900660000000, 0.993337810000000 ] mass: 15.999400 - symbol: O # 138 coordinates: [ 0.860451650000000, 0.436738300000000, 0.689259150000000 ] mass: 15.999400 - symbol: O # 139 coordinates: [ 0.373278260000000, 0.522591430000000, 0.494658560000000 ] mass: 15.999400 - symbol: O # 140 coordinates: [ 0.596028830000000, 0.698647400000000, 0.252345470000000 ] mass: 15.999400 - symbol: O # 141 coordinates: [ 0.809900660000000, 0.516755150000000, 0.493337810000000 ] mass: 15.999400 - symbol: O # 142 coordinates: [ 0.423713360000000, 0.860451650000000, 0.189259150000000 ] mass: 15.999400 - symbol: O # 143 coordinates: [ 0.004270020000000, 0.669567760000000, 0.482082020000000 ] mass: 15.999400 - symbol: O # 144 coordinates: [ 0.907236470000000, 0.806946130000000, 0.799533220000000 ] mass: 15.999400 - symbol: O # 145 coordinates: [ 0.483244850000000, 0.293145500000000, 0.493337810000000 ] mass: 15.999400 - symbol: O # 146 coordinates: [ 0.405582700000000, 0.093705200000000, 0.725512740000000 ] mass: 15.999400 - symbol: O # 147 coordinates: [ 0.963112070000000, 0.816167850000000, 0.510209190000000 ] mass: 15.999400 - symbol: O # 148 coordinates: [ 0.899709680000000, 0.092763530000000, 0.799533220000000 ] mass: 15.999400 - symbol: O # 149 coordinates: [ 0.897381440000000, 0.596028830000000, 0.752345470000000 ] mass: 15.999400 - symbol: O # 150 coordinates: [ 0.995729980000000, 0.330432240000000, 0.982082020000000 ] mass: 15.999400 - symbol: O # 151 coordinates: [ 0.228978600000000, 0.258685270000000, 0.750619760000000 ] mass: 15.999400 - symbol: O # 152 coordinates: [ 0.473958000000000, 0.233050600000000, 0.185047270000000 ] mass: 15.999400 - symbol: O # 153 coordinates: [ 0.433479380000000, 0.073650310000000, 0.256144390000000 ] mass: 15.999400 - symbol: O # 154 coordinates: [ 0.193053870000000, 0.100290320000000, 0.799533220000000 ] mass: 15.999400 - symbol: O # 155 coordinates: [ 0.139548350000000, 0.563261700000000, 0.189259150000000 ] mass: 15.999400 - symbol: O # 156 coordinates: [ 0.029706660000000, 0.771021400000000, 0.750619760000000 ] mass: 15.999400 - symbol: O # 157 coordinates: [ 0.576286640000000, 0.139548350000000, 0.689259150000000 ] mass: 15.999400 - symbol: O # 158 coordinates: [ 0.240907430000000, 0.473958000000000, 0.685047270000000 ] mass: 15.999400 - symbol: O # 159 coordinates: [ 0.258685270000000, 0.029706660000000, 0.250619760000000 ] mass: 15.999400 - symbol: O # 160 coordinates: [ 0.073650310000000, 0.640170930000000, 0.756144390000000 ] mass: 15.999400 - symbol: O # 161 coordinates: [ 0.100290320000000, 0.907236470000000, 0.299533220000000 ] mass: 15.999400 - symbol: O # 162 coordinates: [ 0.093705200000000, 0.688122510000000, 0.225512740000000 ] mass: 15.999400 - symbol: O # 163 coordinates: [ 0.799607120000000, 0.395278940000000, 0.272508850000000 ] mass: 15.999400 - symbol: O # 164 coordinates: [ 0.522591430000000, 0.149313180000000, 0.994658560000000 ] mass: 15.999400 - symbol: O # 165 coordinates: [ 0.730352330000000, 0.263873400000000, 0.770714890000000 ] mass: 15.999400 - symbol: O # 166 coordinates: [ 0.466478930000000, 0.730352330000000, 0.270714890000000 ] mass: 15.999400 - symbol: O # 167 coordinates: [ 0.906294800000000, 0.311877490000000, 0.725512740000000 ] mass: 15.999400 - symbol: O # 168 coordinates: [ 0.930109620000000, 0.570335960000000, 0.232749350000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.055040834763107, 0.031777840811812, 0.000000000000000 ] # a* - [ -0.000000000069963, 0.063555681518679, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.117396480731268 ] # c*unit_cell: lattice: - [ 18.168329090000000, 0.000000020000000, 0.000000000000000 ] # a - [ -9.084164560000000, 15.734234539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.518142910000000 ] # c points: - symbol: K # 1 coordinates: [ 0.522164580000000, 0.995419350000000, 0.993006640000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.487233910000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.137619570000000, 0.805718060000000, 0.997310050000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.862380430000000, 0.194281940000000, 0.497310050000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.666600930000000, 0.812962740000000, 0.495397670000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.805718060000000, 0.668098490000000, 0.497310050000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.504865370000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.477835420000000, 0.004580650000000, 0.493006640000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.004865370000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.668098490000000, 0.862380430000000, 0.997310050000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.333399070000000, 0.187037260000000, 0.995397670000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.504519310000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.987233910000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.526745230000000, 0.522164580000000, 0.493006640000000 ] mass: 39.098300 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.194281940000000, 0.331901510000000, 0.997310050000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.331901510000000, 0.137619570000000, 0.497310050000000 ] mass: 39.098300 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.004580650000000, 0.526745230000000, 0.993006640000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.473254770000000, 0.477835420000000, 0.993006640000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.146361810000000, 0.333399070000000, 0.495397670000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.995419350000000, 0.473254770000000, 0.493006640000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.187037260000000, 0.853638190000000, 0.495397670000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.004519310000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.853638190000000, 0.666600930000000, 0.995397670000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.812962740000000, 0.146361810000000, 0.995397670000000 ] mass: 39.098300 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.163970170000000, 0.655174290000000, 0.295831790000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.174823790000000, 0.498616390000000, 0.795638900000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.830396190000000, 0.837894380000000, 0.811636850000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.344825710000000, 0.508795870000000, 0.295831790000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.668286610000000, 0.668102060000000, 0.183759880000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.837894380000000, 0.007498190000000, 0.311636850000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.007498190000000, 0.169603810000000, 0.811636850000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.331713390000000, 0.331897940000000, 0.683759880000000 ] mass: 26.981539 reduced_to: 32 - symbol: Al # 33 coordinates: [ 0.000184560000000, 0.668286610000000, 0.683759880000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.491204130000000, 0.836029830000000, 0.295831790000000 ] mass: 26.981539 reduced_to: 34 - symbol: Al # 35 coordinates: [ 0.162105620000000, 0.992501810000000, 0.811636850000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 36 coordinates: [ 0.676207390000000, 0.174823790000000, 0.295638900000000 ] mass: 26.981539 reduced_to: 36 - symbol: Al # 37 coordinates: [ 0.668102060000000, 0.999815440000000, 0.683759880000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.169603810000000, 0.162105620000000, 0.311636850000000 ] mass: 26.981539 reduced_to: 38 - symbol: Al # 39 coordinates: [ 0.331897940000000, 0.000184560000000, 0.183759880000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 40 coordinates: [ 0.825176210000000, 0.501383610000000, 0.295638900000000 ] mass: 26.981539 reduced_to: 40 - symbol: Al # 41 coordinates: [ 0.498616390000000, 0.323792610000000, 0.295638900000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.655174290000000, 0.491204130000000, 0.795831790000000 ] mass: 26.981539 reduced_to: 42 - symbol: Al # 43 coordinates: [ 0.999815440000000, 0.331713390000000, 0.183759880000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 44 coordinates: [ 0.992501810000000, 0.830396190000000, 0.311636850000000 ] mass: 26.981539 reduced_to: 44 - symbol: Al # 45 coordinates: [ 0.323792610000000, 0.825176210000000, 0.795638900000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.836029830000000, 0.344825710000000, 0.795831790000000 ] mass: 26.981539 reduced_to: 46 - symbol: Al # 47 coordinates: [ 0.501383610000000, 0.676207390000000, 0.795638900000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 48 coordinates: [ 0.508795870000000, 0.163970170000000, 0.795831790000000 ] mass: 26.981539 reduced_to: 48 - symbol: Si # 49 coordinates: [ 0.665175080000000, 0.999664590000000, 0.293545550000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.173553030000000, 0.495651500000000, 0.177468080000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 51 coordinates: [ 0.836400800000000, 0.342272600000000, 0.177710670000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.495651500000000, 0.322098470000000, 0.677468080000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.168012130000000, 0.159703190000000, 0.694497390000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.159703190000000, 0.991691040000000, 0.194497390000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.504348500000000, 0.677901530000000, 0.177468080000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.505871760000000, 0.163599200000000, 0.177710670000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.334824920000000, 0.000335410000000, 0.793545550000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.840296810000000, 0.008308960000000, 0.694497390000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.991691040000000, 0.831987870000000, 0.694497390000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.322098470000000, 0.826446970000000, 0.177468080000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.334489520000000, 0.334824920000000, 0.293545550000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.999664590000000, 0.334489520000000, 0.793545550000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.665510480000000, 0.665175080000000, 0.793545550000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.657727400000000, 0.494128240000000, 0.177710670000000 ] mass: 28.085500 reduced_to: 64 - symbol: Si # 65 coordinates: [ 0.163599200000000, 0.657727400000000, 0.677710670000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.831987870000000, 0.840296810000000, 0.194497390000000 ] mass: 28.085500 reduced_to: 66 - symbol: Si # 67 coordinates: [ 0.494128240000000, 0.836400800000000, 0.677710670000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.677901530000000, 0.173553030000000, 0.677468080000000 ] mass: 28.085500 reduced_to: 68 - symbol: Si # 69 coordinates: [ 0.000335410000000, 0.665510480000000, 0.293545550000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.342272600000000, 0.505871760000000, 0.677710670000000 ] mass: 28.085500 reduced_to: 70 - symbol: Si # 71 coordinates: [ 0.826446970000000, 0.504348500000000, 0.677468080000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.008308960000000, 0.168012130000000, 0.194497390000000 ] mass: 28.085500 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.816167850000000, 0.853055760000000, 0.010209190000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.311877490000000, 0.405582700000000, 0.225512740000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.069890380000000, 0.429664040000000, 0.732749350000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.264946560000000, 0.240869800000000, 0.224907150000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.132076680000000, 0.063769000000000, 0.218427130000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.665297740000000, 0.995729980000000, 0.482082020000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.526042000000000, 0.766949400000000, 0.685047270000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.404328160000000, 0.799607120000000, 0.772508850000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.926349690000000, 0.359829070000000, 0.256144390000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.146944240000000, 0.963112070000000, 0.010209190000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.200392880000000, 0.604721060000000, 0.772508850000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.533521070000000, 0.269647670000000, 0.770714890000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.853055760000000, 0.036887930000000, 0.510209190000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.240869800000000, 0.975923230000000, 0.724907150000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.595671840000000, 0.200392880000000, 0.272508850000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.669567760000000, 0.665297740000000, 0.982082020000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.334702260000000, 0.004270020000000, 0.982082020000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.516755150000000, 0.706854500000000, 0.993337810000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.936231000000000, 0.068307670000000, 0.218427130000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.403971170000000, 0.301352600000000, 0.752345470000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.771021400000000, 0.741314730000000, 0.250619760000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.068307670000000, 0.132076680000000, 0.718427130000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.626721740000000, 0.477408570000000, 0.994658560000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.063769000000000, 0.931692330000000, 0.718427130000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.759092570000000, 0.526042000000000, 0.185047270000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.741314730000000, 0.970293340000000, 0.750619760000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.263873400000000, 0.533521070000000, 0.270714890000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.970293340000000, 0.228978600000000, 0.250619760000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.359829070000000, 0.433479380000000, 0.756144390000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.640226340000000, 0.069890380000000, 0.232749350000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.036887930000000, 0.183832150000000, 0.010209190000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.183832150000000, 0.146944240000000, 0.510209190000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.566520620000000, 0.926349690000000, 0.756144390000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.429664040000000, 0.359773660000000, 0.232749350000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.269647670000000, 0.736126600000000, 0.270714890000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.301352600000000, 0.897381440000000, 0.252345470000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.024076770000000, 0.264946560000000, 0.724907150000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.233050600000000, 0.759092570000000, 0.685047270000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.766949400000000, 0.240907430000000, 0.185047270000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.698647400000000, 0.102618560000000, 0.752345470000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.759130200000000, 0.024076770000000, 0.224907150000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.102618560000000, 0.403971170000000, 0.252345470000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.594417300000000, 0.906294800000000, 0.225512740000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.688122510000000, 0.594417300000000, 0.725512740000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.359773660000000, 0.930109620000000, 0.732749350000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.867923320000000, 0.936231000000000, 0.718427130000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.395278940000000, 0.595671840000000, 0.772508850000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.477408570000000, 0.850686820000000, 0.494658560000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.092763530000000, 0.193053870000000, 0.299533220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.436738300000000, 0.576286640000000, 0.189259150000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.806946130000000, 0.899709680000000, 0.299533220000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.736126600000000, 0.466478930000000, 0.770714890000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.850686820000000, 0.373278260000000, 0.994658560000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.735053440000000, 0.759130200000000, 0.724907150000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.604721060000000, 0.404328160000000, 0.272508850000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.640170930000000, 0.566520620000000, 0.256144390000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.570335960000000, 0.640226340000000, 0.732749350000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.975923230000000, 0.735053440000000, 0.224907150000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.190099340000000, 0.483244850000000, 0.993337810000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.706854500000000, 0.190099340000000, 0.493337810000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.149313180000000, 0.626721740000000, 0.494658560000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.931692330000000, 0.867923320000000, 0.218427130000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.563261700000000, 0.423713360000000, 0.689259150000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.330432240000000, 0.334702260000000, 0.482082020000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.293145500000000, 0.809900660000000, 0.993337810000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.860451650000000, 0.436738300000000, 0.689259150000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.373278260000000, 0.522591430000000, 0.494658560000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.596028830000000, 0.698647400000000, 0.252345470000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.809900660000000, 0.516755150000000, 0.493337810000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.423713360000000, 0.860451650000000, 0.189259150000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.004270020000000, 0.669567760000000, 0.482082020000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.907236470000000, 0.806946130000000, 0.799533220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.483244850000000, 0.293145500000000, 0.493337810000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.405582700000000, 0.093705200000000, 0.725512740000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.963112070000000, 0.816167850000000, 0.510209190000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.899709680000000, 0.092763530000000, 0.799533220000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.897381440000000, 0.596028830000000, 0.752345470000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.995729980000000, 0.330432240000000, 0.982082020000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.228978600000000, 0.258685270000000, 0.750619760000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.473958000000000, 0.233050600000000, 0.185047270000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.433479380000000, 0.073650310000000, 0.256144390000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.193053870000000, 0.100290320000000, 0.799533220000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.139548350000000, 0.563261700000000, 0.189259150000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.029706660000000, 0.771021400000000, 0.750619760000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.576286640000000, 0.139548350000000, 0.689259150000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.240907430000000, 0.473958000000000, 0.685047270000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.258685270000000, 0.029706660000000, 0.250619760000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.073650310000000, 0.640170930000000, 0.756144390000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.100290320000000, 0.907236470000000, 0.299533220000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.093705200000000, 0.688122510000000, 0.225512740000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.799607120000000, 0.395278940000000, 0.272508850000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.522591430000000, 0.149313180000000, 0.994658560000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.730352330000000, 0.263873400000000, 0.770714890000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.466478930000000, 0.730352330000000, 0.270714890000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.906294800000000, 0.311877490000000, 0.725512740000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.930109620000000, 0.570335960000000, 0.232749350000000 ] mass: 15.999400 reduced_to: 168supercell: lattice: - [ 18.168329090000000, 0.000000020000000, 0.000000000000000 ] # a - [ -9.084164560000000, 15.734234539999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.518142910000000 ] # c points: - symbol: K # 1 coordinates: [ 0.522164580000000, 0.995419350000000, 0.993006640000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.487233910000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.137619570000000, 0.805718060000000, 0.997310050000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.862380430000000, 0.194281940000000, 0.497310050000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.666600930000000, 0.812962740000000, 0.495397670000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.805718060000000, 0.668098490000000, 0.497310050000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.504865370000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.477835420000000, 0.004580650000000, 0.493006640000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.004865370000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.668098490000000, 0.862380430000000, 0.997310050000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.333399070000000, 0.187037260000000, 0.995397670000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.504519310000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.987233910000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.526745230000000, 0.522164580000000, 0.493006640000000 ] mass: 39.098300 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.194281940000000, 0.331901510000000, 0.997310050000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.331901510000000, 0.137619570000000, 0.497310050000000 ] mass: 39.098300 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.004580650000000, 0.526745230000000, 0.993006640000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.473254770000000, 0.477835420000000, 0.993006640000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.146361810000000, 0.333399070000000, 0.495397670000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.995419350000000, 0.473254770000000, 0.493006640000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.187037260000000, 0.853638190000000, 0.495397670000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.004519310000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.853638190000000, 0.666600930000000, 0.995397670000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.812962740000000, 0.146361810000000, 0.995397670000000 ] mass: 39.098300 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.163970170000000, 0.655174290000000, 0.295831790000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.174823790000000, 0.498616390000000, 0.795638900000000 ] mass: 26.981539 reduced_to: 26 - symbol: Al # 27 coordinates: [ 0.830396190000000, 0.837894380000000, 0.811636850000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.344825710000000, 0.508795870000000, 0.295831790000000 ] mass: 26.981539 reduced_to: 28 - symbol: Al # 29 coordinates: [ 0.668286610000000, 0.668102060000000, 0.183759880000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.837894380000000, 0.007498190000000, 0.311636850000000 ] mass: 26.981539 reduced_to: 30 - symbol: Al # 31 coordinates: [ 0.007498190000000, 0.169603810000000, 0.811636850000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.331713390000000, 0.331897940000000, 0.683759880000000 ] mass: 26.981539 reduced_to: 32 - symbol: Al # 33 coordinates: [ 0.000184560000000, 0.668286610000000, 0.683759880000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.491204130000000, 0.836029830000000, 0.295831790000000 ] mass: 26.981539 reduced_to: 34 - symbol: Al # 35 coordinates: [ 0.162105620000000, 0.992501810000000, 0.811636850000000 ] mass: 26.981539 reduced_to: 35 - symbol: Al # 36 coordinates: [ 0.676207390000000, 0.174823790000000, 0.295638900000000 ] mass: 26.981539 reduced_to: 36 - symbol: Al # 37 coordinates: [ 0.668102060000000, 0.999815440000000, 0.683759880000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.169603810000000, 0.162105620000000, 0.311636850000000 ] mass: 26.981539 reduced_to: 38 - symbol: Al # 39 coordinates: [ 0.331897940000000, 0.000184560000000, 0.183759880000000 ] mass: 26.981539 reduced_to: 39 - symbol: Al # 40 coordinates: [ 0.825176210000000, 0.501383610000000, 0.295638900000000 ] mass: 26.981539 reduced_to: 40 - symbol: Al # 41 coordinates: [ 0.498616390000000, 0.323792610000000, 0.295638900000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.655174290000000, 0.491204130000000, 0.795831790000000 ] mass: 26.981539 reduced_to: 42 - symbol: Al # 43 coordinates: [ 0.999815440000000, 0.331713390000000, 0.183759880000000 ] mass: 26.981539 reduced_to: 43 - symbol: Al # 44 coordinates: [ 0.992501810000000, 0.830396190000000, 0.311636850000000 ] mass: 26.981539 reduced_to: 44 - symbol: Al # 45 coordinates: [ 0.323792610000000, 0.825176210000000, 0.795638900000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.836029830000000, 0.344825710000000, 0.795831790000000 ] mass: 26.981539 reduced_to: 46 - symbol: Al # 47 coordinates: [ 0.501383610000000, 0.676207390000000, 0.795638900000000 ] mass: 26.981539 reduced_to: 47 - symbol: Al # 48 coordinates: [ 0.508795870000000, 0.163970170000000, 0.795831790000000 ] mass: 26.981539 reduced_to: 48 - symbol: Si # 49 coordinates: [ 0.665175080000000, 0.999664590000000, 0.293545550000000 ] mass: 28.085500 reduced_to: 49 - symbol: Si # 50 coordinates: [ 0.173553030000000, 0.495651500000000, 0.177468080000000 ] mass: 28.085500 reduced_to: 50 - symbol: Si # 51 coordinates: [ 0.836400800000000, 0.342272600000000, 0.177710670000000 ] mass: 28.085500 reduced_to: 51 - symbol: Si # 52 coordinates: [ 0.495651500000000, 0.322098470000000, 0.677468080000000 ] mass: 28.085500 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.168012130000000, 0.159703190000000, 0.694497390000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.159703190000000, 0.991691040000000, 0.194497390000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.504348500000000, 0.677901530000000, 0.177468080000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.505871760000000, 0.163599200000000, 0.177710670000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.334824920000000, 0.000335410000000, 0.793545550000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.840296810000000, 0.008308960000000, 0.694497390000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.991691040000000, 0.831987870000000, 0.694497390000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.322098470000000, 0.826446970000000, 0.177468080000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.334489520000000, 0.334824920000000, 0.293545550000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.999664590000000, 0.334489520000000, 0.793545550000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.665510480000000, 0.665175080000000, 0.793545550000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.657727400000000, 0.494128240000000, 0.177710670000000 ] mass: 28.085500 reduced_to: 64 - symbol: Si # 65 coordinates: [ 0.163599200000000, 0.657727400000000, 0.677710670000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.831987870000000, 0.840296810000000, 0.194497390000000 ] mass: 28.085500 reduced_to: 66 - symbol: Si # 67 coordinates: [ 0.494128240000000, 0.836400800000000, 0.677710670000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.677901530000000, 0.173553030000000, 0.677468080000000 ] mass: 28.085500 reduced_to: 68 - symbol: Si # 69 coordinates: [ 0.000335410000000, 0.665510480000000, 0.293545550000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.342272600000000, 0.505871760000000, 0.677710670000000 ] mass: 28.085500 reduced_to: 70 - symbol: Si # 71 coordinates: [ 0.826446970000000, 0.504348500000000, 0.677468080000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.008308960000000, 0.168012130000000, 0.194497390000000 ] mass: 28.085500 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.816167850000000, 0.853055760000000, 0.010209190000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.311877490000000, 0.405582700000000, 0.225512740000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.069890380000000, 0.429664040000000, 0.732749350000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.264946560000000, 0.240869800000000, 0.224907150000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.132076680000000, 0.063769000000000, 0.218427130000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.665297740000000, 0.995729980000000, 0.482082020000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.526042000000000, 0.766949400000000, 0.685047270000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.404328160000000, 0.799607120000000, 0.772508850000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.926349690000000, 0.359829070000000, 0.256144390000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.146944240000000, 0.963112070000000, 0.010209190000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.200392880000000, 0.604721060000000, 0.772508850000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.533521070000000, 0.269647670000000, 0.770714890000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.853055760000000, 0.036887930000000, 0.510209190000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.240869800000000, 0.975923230000000, 0.724907150000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.595671840000000, 0.200392880000000, 0.272508850000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.669567760000000, 0.665297740000000, 0.982082020000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.334702260000000, 0.004270020000000, 0.982082020000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.516755150000000, 0.706854500000000, 0.993337810000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.936231000000000, 0.068307670000000, 0.218427130000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.403971170000000, 0.301352600000000, 0.752345470000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.771021400000000, 0.741314730000000, 0.250619760000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.068307670000000, 0.132076680000000, 0.718427130000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.626721740000000, 0.477408570000000, 0.994658560000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.063769000000000, 0.931692330000000, 0.718427130000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.759092570000000, 0.526042000000000, 0.185047270000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.741314730000000, 0.970293340000000, 0.750619760000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.263873400000000, 0.533521070000000, 0.270714890000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.970293340000000, 0.228978600000000, 0.250619760000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.359829070000000, 0.433479380000000, 0.756144390000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.640226340000000, 0.069890380000000, 0.232749350000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.036887930000000, 0.183832150000000, 0.010209190000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.183832150000000, 0.146944240000000, 0.510209190000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.566520620000000, 0.926349690000000, 0.756144390000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.429664040000000, 0.359773660000000, 0.232749350000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.269647670000000, 0.736126600000000, 0.270714890000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.301352600000000, 0.897381440000000, 0.252345470000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.024076770000000, 0.264946560000000, 0.724907150000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.233050600000000, 0.759092570000000, 0.685047270000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.766949400000000, 0.240907430000000, 0.185047270000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.698647400000000, 0.102618560000000, 0.752345470000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.759130200000000, 0.024076770000000, 0.224907150000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.102618560000000, 0.403971170000000, 0.252345470000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.594417300000000, 0.906294800000000, 0.225512740000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.688122510000000, 0.594417300000000, 0.725512740000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.359773660000000, 0.930109620000000, 0.732749350000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.867923320000000, 0.936231000000000, 0.718427130000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.395278940000000, 0.595671840000000, 0.772508850000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.477408570000000, 0.850686820000000, 0.494658560000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.092763530000000, 0.193053870000000, 0.299533220000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.436738300000000, 0.576286640000000, 0.189259150000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.806946130000000, 0.899709680000000, 0.299533220000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.736126600000000, 0.466478930000000, 0.770714890000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.850686820000000, 0.373278260000000, 0.994658560000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.735053440000000, 0.759130200000000, 0.724907150000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.604721060000000, 0.404328160000000, 0.272508850000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.640170930000000, 0.566520620000000, 0.256144390000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.570335960000000, 0.640226340000000, 0.732749350000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.975923230000000, 0.735053440000000, 0.224907150000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.190099340000000, 0.483244850000000, 0.993337810000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.706854500000000, 0.190099340000000, 0.493337810000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.149313180000000, 0.626721740000000, 0.494658560000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.931692330000000, 0.867923320000000, 0.218427130000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.563261700000000, 0.423713360000000, 0.689259150000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.330432240000000, 0.334702260000000, 0.482082020000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.293145500000000, 0.809900660000000, 0.993337810000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.860451650000000, 0.436738300000000, 0.689259150000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.373278260000000, 0.522591430000000, 0.494658560000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.596028830000000, 0.698647400000000, 0.252345470000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.809900660000000, 0.516755150000000, 0.493337810000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.423713360000000, 0.860451650000000, 0.189259150000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.004270020000000, 0.669567760000000, 0.482082020000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.907236470000000, 0.806946130000000, 0.799533220000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.483244850000000, 0.293145500000000, 0.493337810000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.405582700000000, 0.093705200000000, 0.725512740000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.963112070000000, 0.816167850000000, 0.510209190000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.899709680000000, 0.092763530000000, 0.799533220000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.897381440000000, 0.596028830000000, 0.752345470000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.995729980000000, 0.330432240000000, 0.982082020000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.228978600000000, 0.258685270000000, 0.750619760000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.473958000000000, 0.233050600000000, 0.185047270000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.433479380000000, 0.073650310000000, 0.256144390000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.193053870000000, 0.100290320000000, 0.799533220000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.139548350000000, 0.563261700000000, 0.189259150000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.029706660000000, 0.771021400000000, 0.750619760000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.576286640000000, 0.139548350000000, 0.689259150000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.240907430000000, 0.473958000000000, 0.685047270000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.258685270000000, 0.029706660000000, 0.250619760000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.073650310000000, 0.640170930000000, 0.756144390000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.100290320000000, 0.907236470000000, 0.299533220000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.093705200000000, 0.688122510000000, 0.225512740000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.799607120000000, 0.395278940000000, 0.272508850000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.522591430000000, 0.149313180000000, 0.994658560000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.730352330000000, 0.263873400000000, 0.770714890000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.466478930000000, 0.730352330000000, 0.270714890000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.906294800000000, 0.311877490000000, 0.725512740000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.930109620000000, 0.570335960000000, 0.232749350000000 ] mass: 15.999400 reduced_to: 168displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0177701900000000, 0.0042977700000000, 0.0030653200000000 ] - [ 0.0005484200000000, 0.0000022500000000, 0.0000526700000000 ] - [ 0.0005841400000000, 0.0005581900000000, 0.0002316700000000 ] - [ 0.0002685900000000, 0.0004205200000000, 0.0001942500000000 ] - [ 0.0002131600000000, -0.0005914300000000, 0.0000782300000000 ] - [ 0.0002897900000000, -0.0000736800000000, 0.0002282800000000 ] - [ -0.0004115100000000, -0.0000407400000000, 0.0000216900000000 ] - [ -0.0017670800000000, 0.0000896500000000, 0.0000382800000000 ] - [ -0.0005371400000000, 0.0001641300000000, 0.0000950100000000 ] - [ 0.0017121800000000, -0.0013940700000000, 0.0001476100000000 ] - [ 0.0006869000000000, -0.0004143200000000, 0.0000177000000000 ] - [ -0.0004301200000000, -0.0000355200000000, -0.0000037300000000 ] - [ 0.0005675900000000, 0.0000032500000000, 0.0000718600000000 ] - [ 0.0000381700000000, -0.0002975600000000, 0.0001181600000000 ] - [ 0.0001006500000000, 0.0000093000000000, 0.0002332100000000 ] - [ 0.0004476800000000, -0.0003356600000000, 0.0002301400000000 ] - [ 0.0000528200000000, 0.0002536900000000, 0.0001122500000000 ] - [ 0.0000953000000000, -0.0002785300000000, 0.0001094300000000 ] - [ 0.0001655500000000, 0.0002177000000000, 0.0000195800000000 ] - [ 0.0000477700000000, 0.0003036500000000, 0.0001131800000000 ] - [ 0.0005937500000000, 0.0003502500000000, 0.0000587400000000 ] - [ -0.0005275600000000, -0.0002999400000000, 0.0000552800000000 ] - [ 0.0002106100000000, -0.0002019800000000, 0.0000167800000000 ] - [ 0.0010759400000000, 0.0012462600000000, 0.0000479700000000 ] - [ 0.0000964200000000, 0.0002278200000000, -0.0003061600000000 ] - [ -0.0001574600000000, 0.0006627800000000, -0.0000099400000000 ] - [ 0.0015779400000000, -0.0010594500000000, -0.0000963600000000 ] - [ 0.0003968200000000, -0.0001905700000000, -0.0001934300000000 ] - [ 0.0004120700000000, -0.0005364500000000, 0.0004325300000000 ] - [ 0.0018084800000000, -0.0009654600000000, 0.0001351900000000 ] - [ 0.0002325300000000, 0.0001383300000000, -0.0001470800000000 ] - [ 0.0004459900000000, -0.0004341000000000, 0.0004050000000000 ] - [ 0.0003068900000000, 0.0003628300000000, 0.0004043800000000 ] - [ -0.0050726400000000, -0.0022963700000000, 0.0005402500000000 ] - [ 0.0020367700000000, 0.0007491300000000, 0.0000705300000000 ] - [ -0.0028963300000000, 0.0033599500000000, 0.0008865100000000 ] - [ 0.0029675100000000, 0.0000512300000000, -0.0034927900000000 ] - [ 0.0002176000000000, 0.0001790100000000, -0.0000925000000000 ] - [ 0.0044482500000000, 0.0003016700000000, -0.0030142900000000 ] - [ 0.0000963800000000, 0.0001843000000000, -0.0000294200000000 ] - [ 0.0001994600000000, -0.0009613000000000, -0.0002911000000000 ] - [ -0.0007082500000000, -0.0008245600000000, -0.0002800700000000 ] - [ 0.0003075200000000, 0.0005060100000000, 0.0004380400000000 ] - [ 0.0017903400000000, 0.0005403800000000, 0.0000135800000000 ] - [ -0.0009258400000000, 0.0045272500000000, 0.0021178100000000 ] - [ 0.0000319400000000, 0.0014351800000000, -0.0002865100000000 ] - [ -0.0001829200000000, -0.0012841500000000, -0.0000494500000000 ] - [ -0.0004627100000000, -0.0045993000000000, 0.0030615200000000 ] - [ 0.0038451200000000, 0.0004530400000000, 0.0043328500000000 ] - [ 0.0006415900000000, 0.0006885200000000, 0.0002826400000000 ] - [ -0.0002034200000000, 0.0015621800000000, -0.0005944500000000 ] - [ 0.0008483200000000, -0.0016154500000000, 0.0003926600000000 ] - [ 0.0015118200000000, -0.0006364800000000, 0.0002867100000000 ] - [ 0.0017913200000000, -0.0002295900000000, -0.0000956100000000 ] - [ -0.0006796300000000, -0.0004491200000000, 0.0006039800000000 ] - [ -0.0003593900000000, -0.0061989600000000, -0.0038222900000000 ] - [ 0.0042771000000000, 0.0001715500000000, 0.0037335400000000 ] - [ 0.0022333500000000, 0.0007636500000000, 0.0001043700000000 ] - [ 0.0006117800000000, 0.0002534500000000, 0.0001333100000000 ] - [ -0.0013858000000000, 0.0031091400000000, -0.0022941800000000 ] - [ -0.0001013400000000, -0.0003185700000000, -0.0005894600000000 ] - [ 0.0000372400000000, 0.0001605400000000, -0.0006161900000000 ] - [ 0.0008856500000000, -0.0007776200000000, -0.0006074800000000 ] - [ -0.0001485700000000, -0.0009555900000000, -0.0005910100000000 ] - [ 0.0001547800000000, 0.0008019200000000, -0.0006376100000000 ] - [ 0.0009226700000000, -0.0002201700000000, 0.0001865800000000 ] - [ -0.0038057100000000, -0.0045694500000000, -0.0023042700000000 ] - [ -0.0044474500000000, 0.0036149600000000, -0.0009162700000000 ] - [ 0.0008704100000000, 0.0007946900000000, -0.0005786500000000 ] - [ 0.0002243300000000, -0.0002346400000000, -0.0006804300000000 ] - [ -0.0010469200000000, 0.0001715800000000, 0.0003878000000000 ] - [ 0.0013834400000000, 0.0006909600000000, 0.0002434600000000 ] - [ -0.0003322900000000, 0.0003709300000000, 0.0000416300000000 ] - [ 0.0001617900000000, 0.0005273600000000, 0.0000882700000000 ] - [ 0.0002495500000000, -0.0003153500000000, 0.0001759900000000 ] - [ -0.0007216400000000, 0.0004921600000000, 0.0001280100000000 ] - [ -0.0007544800000000, 0.0003008800000000, 0.0001236100000000 ] - [ -0.0003262500000000, 0.0000073500000000, -0.0006772600000000 ] - [ 0.0002943600000000, 0.0016373500000000, -0.0000173200000000 ] - [ 0.0026000700000000, 0.0001582000000000, -0.0008853800000000 ] - [ -0.0004984200000000, -0.0002526800000000, -0.0000557200000000 ] - [ -0.0012139500000000, 0.0000996700000000, 0.0002004800000000 ] - [ 0.0005712600000000, -0.0010321100000000, 0.0001016700000000 ] - [ -0.0006608200000000, 0.0014386000000000, -0.0008510900000000 ] - [ -0.0005042800000000, -0.0003351400000000, 0.0000878000000000 ] - [ -0.0018331300000000, 0.0002823100000000, -0.0006743000000000 ] - [ 0.0033321500000000, 0.0004767100000000, 0.0011373700000000 ] - [ -0.0002634200000000, 0.0004327200000000, -0.0000550900000000 ] - [ -0.0035588500000000, 0.0000520300000000, -0.0007269200000000 ] - [ 0.0001359500000000, 0.0009253300000000, -0.0002961000000000 ] - [ -0.0008201400000000, -0.0003334600000000, 0.0001236600000000 ] - [ -0.0001853300000000, 0.0001410900000000, -0.0000169100000000 ] - [ -0.0000377100000000, 0.0003824400000000, -0.0001040000000000 ] - [ -0.0008314600000000, -0.0000073600000000, 0.0001104700000000 ] - [ 0.0000747100000000, 0.0002958500000000, 0.0008131100000000 ] - [ -0.0008018800000000, -0.0004809900000000, -0.0001827500000000 ] - [ -0.0001514500000000, 0.0002286500000000, -0.0001520900000000 ] - [ -0.0017320200000000, -0.0002299500000000, 0.0004647000000000 ] - [ -0.0005754600000000, -0.0004130800000000, -0.0003355300000000 ] - [ -0.0004479500000000, -0.0005703100000000, -0.0000307900000000 ] - [ -0.0002317600000000, 0.0007347700000000, -0.0000151100000000 ] - [ 0.0038342700000000, 0.0000610200000000, 0.0012754500000000 ] - [ -0.0004526100000000, -0.0005089800000000, 0.0001113300000000 ] - [ -0.0008055600000000, 0.0000053200000000, 0.0001063900000000 ] - [ 0.0046797500000000, -0.0004780100000000, -0.0027018200000000 ] - [ 0.0000060800000000, 0.0000520000000000, 0.0001486600000000 ] - [ 0.0003461300000000, -0.0001714200000000, 0.0001926200000000 ] - [ -0.0003409700000000, -0.0017849400000000, 0.0009606100000000 ] - [ -0.0006574700000000, -0.0004715400000000, 0.0000565000000000 ] - [ -0.0002066200000000, -0.0013114700000000, -0.0005009600000000 ] - [ 0.0004080600000000, -0.0013560300000000, -0.0002199200000000 ] - [ 0.0006529700000000, -0.0027836400000000, 0.0024024100000000 ] - [ -0.0019772600000000, -0.0007510700000000, -0.0005363500000000 ] - [ 0.0001160900000000, -0.0003824200000000, 0.0000476600000000 ] - [ -0.0002600300000000, 0.0024949200000000, -0.0025189500000000 ] - [ -0.0005813100000000, 0.0002645100000000, 0.0001774300000000 ] - [ -0.0007707400000000, -0.0020096900000000, -0.0018887000000000 ] - [ -0.0010197700000000, 0.0004936500000000, -0.0001299500000000 ] - [ 0.0005356700000000, 0.0009940700000000, 0.0000873200000000 ] - [ 0.0017290500000000, 0.0007654200000000, 0.0015019300000000 ] - [ -0.0005998200000000, -0.0000828800000000, -0.0003141600000000 ] - [ 0.0001239200000000, 0.0005718200000000, -0.0001171300000000 ] - [ -0.0009341800000000, 0.0006824800000000, -0.0000126100000000 ] - [ 0.0008865900000000, 0.0004301300000000, -0.0003920500000000 ] - [ 0.0000355200000000, -0.0004931200000000, 0.0008747400000000 ] - [ 0.0000966400000000, 0.0001681600000000, -0.0000061800000000 ] - [ -0.0000695100000000, 0.0001148800000000, -0.0000628700000000 ] - [ -0.0001457200000000, 0.0001149800000000, -0.0000247300000000 ] - [ -0.0005397500000000, 0.0006708900000000, 0.0001593900000000 ] - [ 0.0000846800000000, 0.0000950500000000, 0.0000490700000000 ] - [ 0.0001619200000000, -0.0003015200000000, -0.0002120700000000 ] - [ 0.0013226300000000, -0.0009811300000000, -0.0001395000000000 ] - [ 0.0000114000000000, -0.0003385600000000, 0.0007739400000000 ] - [ -0.0010717500000000, -0.0000226900000000, -0.0001692900000000 ] - [ 0.0001128900000000, 0.0007020800000000, 0.0000828600000000 ] - [ -0.0001090500000000, 0.0000417700000000, -0.0000459700000000 ] - [ -0.0002468400000000, -0.0021161200000000, 0.0000536600000000 ] - [ 0.0002010500000000, -0.0004827400000000, 0.0000960400000000 ] - [ -0.0000469600000000, 0.0002011900000000, 0.0007974100000000 ] - [ -0.0002760200000000, 0.0007255300000000, 0.0000387300000000 ] - [ -0.0001094800000000, 0.0000304900000000, -0.0002235100000000 ] - [ 0.0042622700000000, 0.0007810300000000, -0.0000663700000000 ] - [ -0.0003504300000000, -0.0001733000000000, -0.0000538100000000 ] - [ -0.0009637100000000, 0.0000458500000000, 0.0000517900000000 ] - [ -0.0000684000000000, 0.0002917300000000, -0.0001487200000000 ] - [ -0.0000799900000000, 0.0011603100000000, -0.0011677300000000 ] - [ -0.0003887400000000, 0.0002399200000000, 0.0000575200000000 ] - [ -0.0008093700000000, -0.0003988400000000, -0.0002263600000000 ] - [ -0.0004157700000000, -0.0002350300000000, 0.0000453700000000 ] - [ 0.0000032700000000, -0.0002795800000000, -0.0000488800000000 ] - [ -0.0005929400000000, 0.0000815800000000, -0.0000634400000000 ] - [ -0.0004067200000000, 0.0013513400000000, 0.0003336300000000 ] - [ -0.0003882500000000, 0.0023171900000000, 0.0020733500000000 ] - [ -0.0007831800000000, 0.0003340100000000, -0.0003508400000000 ] - [ 0.0001101000000000, -0.0004319800000000, -0.0000692100000000 ] - [ -0.0003722900000000, 0.0001060900000000, -0.0001609800000000 ] - [ 0.0035198300000000, 0.0004203700000000, -0.0009349400000000 ] - [ 0.0002435200000000, -0.0001328800000000, -0.0001785300000000 ] - [ -0.0018381900000000, 0.0001471500000000, 0.0003050500000000 ] - [ 0.0001454700000000, -0.0004574900000000, -0.0000205900000000 ] - [ -0.0008868600000000, -0.0005755400000000, 0.0000373800000000 ] - [ -0.0003358900000000, -0.0007760300000000, 0.0002294000000000 ] - [ 0.0000327100000000, -0.0000177400000000, -0.0001258100000000 ] - [ 0.0026812000000000, -0.0007561200000000, 0.0008252500000000 ] - [ 0.0007467300000000, -0.0017625200000000, -0.0004497900000000 ] - [ 0.0013749600000000, 0.0003131800000000, -0.0003059300000000 ] - [ -0.0001740700000000, -0.0000209300000000, 0.0000861500000000 ] - [ -0.0006091300000000, -0.0004959900000000, 0.0000993900000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0176274700000000, -0.0043477400000000, -0.0028150700000000 ] - [ -0.0005493800000000, -0.0000028500000000, 0.0000710500000000 ] - [ -0.0004727600000000, -0.0004126900000000, 0.0002270400000000 ] - [ -0.0003822500000000, -0.0005682400000000, 0.0002641300000000 ] - [ -0.0005084000000000, 0.0003858800000000, -0.0000441200000000 ] - [ -0.0001046600000000, 0.0000511500000000, 0.0002316300000000 ] - [ 0.0004124200000000, 0.0000400300000000, 0.0000855200000000 ] - [ 0.0018227200000000, -0.0001239500000000, 0.0001883300000000 ] - [ 0.0005378400000000, -0.0001616100000000, 0.0000121900000000 ] - [ -0.0016299100000000, 0.0012143600000000, 0.0003122500000000 ] - [ -0.0003944700000000, 0.0006224700000000, 0.0000164500000000 ] - [ 0.0004320400000000, 0.0000389900000000, 0.0000572000000000 ] - [ -0.0005676700000000, -0.0000025500000000, 0.0000517100000000 ] - [ -0.0000894200000000, 0.0002749700000000, 0.0001084400000000 ] - [ -0.0002861200000000, 0.0000134700000000, 0.0002266300000000 ] - [ -0.0005212900000000, 0.0005066900000000, 0.0002291500000000 ] - [ -0.0000576700000000, -0.0003102200000000, 0.0001139100000000 ] - [ -0.0000443600000000, 0.0003019000000000, 0.0001171100000000 ] - [ -0.0001984300000000, 0.0001407600000000, 0.0000149700000000 ] - [ -0.0000428500000000, -0.0002476500000000, 0.0001129300000000 ] - [ -0.0002673900000000, -0.0005048400000000, -0.0000232900000000 ] - [ 0.0005267100000000, 0.0002964700000000, -0.0000019100000000 ] - [ -0.0001779900000000, -0.0001562400000000, 0.0000174400000000 ] - [ -0.0013965300000000, -0.0010852800000000, -0.0000118100000000 ] - [ -0.0002297300000000, -0.0015063000000000, -0.0001942800000000 ] - [ -0.0001085200000000, -0.0003045800000000, -0.0000358200000000 ] - [ -0.0002763800000000, -0.0000392000000000, -0.0000129400000000 ] - [ 0.0007727300000000, 0.0007246300000000, -0.0003052800000000 ] - [ -0.0004305200000000, 0.0005807000000000, 0.0003701700000000 ] - [ -0.0021139300000000, -0.0006984400000000, -0.0002422600000000 ] - [ -0.0018328100000000, -0.0007067600000000, 0.0000434100000000 ] - [ -0.0004287100000000, 0.0003909800000000, 0.0003973800000000 ] - [ -0.0003556800000000, -0.0003529100000000, 0.0003993500000000 ] - [ 0.0039966600000000, 0.0030635400000000, -0.0010492400000000 ] - [ -0.0017356500000000, 0.0009141300000000, -0.0001798200000000 ] - [ 0.0024602100000000, -0.0034377500000000, -0.0009310800000000 ] - [ -0.0029486500000000, -0.0000200600000000, 0.0042491800000000 ] - [ -0.0015203500000000, 0.0009199100000000, -0.0000161300000000 ] - [ -0.0045087200000000, -0.0003409200000000, 0.0038551000000000 ] - [ 0.0001699900000000, -0.0005424400000000, -0.0000164800000000 ] - [ -0.0000202200000000, 0.0013776700000000, 0.0002544300000000 ] - [ -0.0004610300000000, 0.0002923400000000, -0.0002185600000000 ] - [ -0.0002589000000000, -0.0005161700000000, 0.0003658100000000 ] - [ -0.0001910200000000, 0.0000281600000000, -0.0001170200000000 ] - [ 0.0013779400000000, -0.0044820400000000, -0.0021677200000000 ] - [ 0.0001019800000000, -0.0001577000000000, -0.0002141800000000 ] - [ 0.0000017200000000, 0.0008712700000000, 0.0000107000000000 ] - [ 0.0015372300000000, 0.0038625700000000, -0.0035624800000000 ] - [ -0.0035788300000000, -0.0014722600000000, -0.0054165600000000 ] - [ 0.0010236300000000, -0.0003092000000000, 0.0003914500000000 ] - [ -0.0000165400000000, -0.0009342600000000, -0.0006799300000000 ] - [ 0.0003255600000000, 0.0003725000000000, 0.0002774600000000 ] - [ -0.0008519700000000, 0.0000808900000000, 0.0000729100000000 ] - [ -0.0019576300000000, -0.0005996200000000, 0.0004476000000000 ] - [ -0.0004963100000000, 0.0016947700000000, 0.0000678500000000 ] - [ 0.0010977400000000, 0.0061110400000000, 0.0025518300000000 ] - [ -0.0045860900000000, 0.0008548800000000, -0.0049217300000000 ] - [ -0.0020690600000000, 0.0000662500000000, 0.0002445300000000 ] - [ -0.0013908400000000, -0.0005443100000000, 0.0002151400000000 ] - [ 0.0009296900000000, -0.0047559100000000, 0.0029811500000000 ] - [ -0.0009539700000000, 0.0006008400000000, -0.0005485000000000 ] - [ -0.0007817000000000, -0.0009296400000000, -0.0005202000000000 ] - [ 0.0001677800000000, 0.0004966900000000, -0.0005307100000000 ] - [ -0.0002675900000000, 0.0003845000000000, -0.0006794700000000 ] - [ 0.0000656300000000, -0.0014327900000000, -0.0006374100000000 ] - [ -0.0015843700000000, 0.0007765800000000, 0.0001745200000000 ] - [ 0.0030825300000000, 0.0047042600000000, 0.0010454200000000 ] - [ 0.0049265200000000, -0.0019886200000000, 0.0015865200000000 ] - [ -0.0001263100000000, -0.0000262800000000, -0.0005572400000000 ] - [ 0.0001919900000000, 0.0008080200000000, -0.0005900000000000 ] - [ -0.0006174300000000, -0.0005506800000000, 0.0002861000000000 ] - [ -0.0006060400000000, -0.0004008400000000, 0.0001053100000000 ] - [ 0.0009468500000000, -0.0000740900000000, 0.0001368800000000 ] - [ 0.0005659300000000, -0.0001764600000000, 0.0001743500000000 ] - [ 0.0006134300000000, 0.0005724700000000, 0.0000889100000000 ] - [ -0.0000626100000000, -0.0000342200000000, -0.0000489600000000 ] - [ 0.0009254400000000, -0.0004567000000000, -0.0001668500000000 ] - [ 0.0005167800000000, 0.0002739400000000, 0.0005576700000000 ] - [ -0.0002264500000000, -0.0011537700000000, -0.0003171400000000 ] - [ -0.0037009100000000, -0.0002047600000000, 0.0008770100000000 ] - [ -0.0002111700000000, 0.0005040400000000, 0.0000037200000000 ] - [ 0.0006522000000000, 0.0002867800000000, -0.0000244300000000 ] - [ 0.0000446000000000, 0.0000528800000000, -0.0000811100000000 ] - [ -0.0007408100000000, -0.0005407700000000, 0.0001353300000000 ] - [ 0.0010694700000000, -0.0000517500000000, 0.0000897200000000 ] - [ 0.0018286500000000, 0.0006308500000000, 0.0007591500000000 ] - [ -0.0022450400000000, -0.0004354200000000, -0.0011366200000000 ] - [ 0.0001074400000000, -0.0001302100000000, -0.0000646600000000 ] - [ 0.0033889000000000, -0.0003337100000000, 0.0006114900000000 ] - [ -0.0000435600000000, -0.0005564000000000, -0.0001338300000000 ] - [ 0.0008705400000000, 0.0005522700000000, -0.0001648100000000 ] - [ 0.0004050000000000, -0.0006380600000000, 0.0001045100000000 ] - [ 0.0005731800000000, -0.0002034100000000, -0.0000306900000000 ] - [ 0.0010531700000000, 0.0000689400000000, -0.0001542300000000 ] - [ 0.0000802300000000, -0.0002673900000000, 0.0008048700000000 ] - [ 0.0007525700000000, 0.0002613200000000, 0.0001423900000000 ] - [ -0.0002345500000000, 0.0000680000000000, -0.0001783800000000 ] - [ 0.0021560500000000, -0.0001478400000000, -0.0005904600000000 ] - [ -0.0008961100000000, -0.0003463400000000, -0.0003764100000000 ] - [ 0.0003353000000000, 0.0000154500000000, -0.0001092400000000 ] - [ 0.0001157600000000, -0.0000195100000000, -0.0000270400000000 ] - [ -0.0035508000000000, 0.0008638700000000, -0.0009044100000000 ] - [ 0.0004020200000000, -0.0001733600000000, 0.0000639100000000 ] - [ 0.0001906800000000, -0.0003024500000000, 0.0000726400000000 ] - [ -0.0051734600000000, -0.0000824700000000, 0.0025137200000000 ] - [ 0.0006466800000000, -0.0006698900000000, 0.0001145700000000 ] - [ -0.0002741600000000, 0.0018227700000000, -0.0009070200000000 ] - [ 0.0000250600000000, 0.0013498600000000, -0.0008852100000000 ] - [ -0.0001399300000000, 0.0000232200000000, 0.0000268800000000 ] - [ -0.0002518600000000, 0.0011194900000000, 0.0001655600000000 ] - [ 0.0000505100000000, 0.0015526700000000, -0.0001182700000000 ] - [ -0.0003257200000000, 0.0032251700000000, -0.0023114700000000 ] - [ 0.0019886900000000, -0.0001615300000000, 0.0006048800000000 ] - [ 0.0004290000000000, 0.0003310900000000, 0.0000388700000000 ] - [ -0.0003733900000000, -0.0020525300000000, 0.0027823400000000 ] - [ -0.0001457100000000, -0.0006158000000000, 0.0000851100000000 ] - [ 0.0005366100000000, 0.0011470500000000, 0.0021632900000000 ] - [ 0.0008506400000000, -0.0003390600000000, 0.0000882900000000 ] - [ -0.0000002900000000, -0.0000167100000000, -0.0000866300000000 ] - [ -0.0016185000000000, -0.0008944900000000, 0.0001203800000000 ] - [ 0.0009442300000000, 0.0000184300000000, 0.0000480900000000 ] - [ -0.0001910700000000, -0.0006856600000000, 0.0001325200000000 ] - [ 0.0008392600000000, -0.0003881000000000, -0.0002718900000000 ] - [ 0.0005834600000000, 0.0003283600000000, -0.0003199000000000 ] - [ -0.0000896800000000, 0.0003436700000000, 0.0007400600000000 ] - [ 0.0006898400000000, -0.0006262200000000, 0.0000859900000000 ] - [ -0.0004657700000000, -0.0010955000000000, 0.0000642600000000 ] - [ 0.0002636700000000, -0.0008311100000000, -0.0000177200000000 ] - [ -0.0001116500000000, -0.0000555000000000, 0.0001040700000000 ] - [ 0.0007126600000000, 0.0003543100000000, 0.0000338100000000 ] - [ 0.0001163900000000, 0.0000376300000000, -0.0002199400000000 ] - [ -0.0009552100000000, 0.0010926400000000, -0.0002841600000000 ] - [ 0.0000423800000000, 0.0004884300000000, 0.0008412600000000 ] - [ 0.0008499500000000, -0.0000392800000000, 0.0001262700000000 ] - [ -0.0000454400000000, -0.0005905900000000, -0.0000673700000000 ] - [ 0.0002658300000000, -0.0003448400000000, -0.0000738700000000 ] - [ -0.0001263400000000, 0.0020188600000000, -0.0004853600000000 ] - [ -0.0001272400000000, 0.0003588500000000, -0.0000800500000000 ] - [ -0.0001076300000000, -0.0002303100000000, 0.0008205000000000 ] - [ 0.0000574800000000, -0.0002295000000000, 0.0000481400000000 ] - [ -0.0001694500000000, 0.0002330400000000, -0.0002087500000000 ] - [ -0.0041344000000000, -0.0007970100000000, 0.0000895900000000 ] - [ 0.0000110600000000, 0.0001885000000000, -0.0000678700000000 ] - [ 0.0006204200000000, 0.0000181600000000, -0.0003176300000000 ] - [ -0.0000230000000000, -0.0006613600000000, -0.0002820000000000 ] - [ 0.0007476500000000, -0.0016110400000000, 0.0014375000000000 ] - [ 0.0004403300000000, 0.0004428600000000, 0.0001182000000000 ] - [ 0.0010200800000000, 0.0006506800000000, -0.0000437600000000 ] - [ -0.0001290500000000, 0.0002854000000000, 0.0000404000000000 ] - [ 0.0003357300000000, 0.0002638600000000, -0.0000729500000000 ] - [ 0.0000586400000000, -0.0002607500000000, -0.0000709500000000 ] - [ 0.0003389200000000, -0.0018438400000000, -0.0006667700000000 ] - [ 0.0009413300000000, -0.0018408100000000, -0.0021349900000000 ] - [ 0.0008803100000000, -0.0006288000000000, 0.0000675800000000 ] - [ -0.0001846800000000, 0.0005566100000000, 0.0000855700000000 ] - [ 0.0004854800000000, 0.0004496100000000, 0.0000211000000000 ] - [ -0.0036545400000000, -0.0004073300000000, 0.0009433400000000 ] - [ 0.0001417400000000, -0.0001645400000000, -0.0001521500000000 ] - [ 0.0014168600000000, 0.0002312200000000, -0.0004419700000000 ] - [ 0.0005646600000000, 0.0002084300000000, -0.0000318700000000 ] - [ 0.0006767600000000, 0.0003250000000000, -0.0003092800000000 ] - [ 0.0003037500000000, -0.0000265700000000, 0.0000295500000000 ] - [ -0.0006501200000000, 0.0009977800000000, 0.0001471000000000 ] - [ -0.0028371300000000, 0.0009737700000000, 0.0008076800000000 ] - [ -0.0008253000000000, 0.0001095500000000, -0.0002623600000000 ] - [ 0.0000266000000000, -0.0012155900000000, -0.0004076000000000 ] - [ 0.0002067500000000, 0.0008244700000000, 0.0001744800000000 ] - [ -0.0002525700000000, 0.0002404000000000, 0.0001653500000000 ]- atom: 1 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0126840800000000, -0.0224599700000000, -0.0033149900000000 ] - [ -0.0002849700000000, -0.0001101900000000, 0.0000627700000000 ] - [ 0.0003169500000000, -0.0002959000000000, 0.0002693100000000 ] - [ 0.0002530600000000, -0.0003955800000000, 0.0001989800000000 ] - [ -0.0007978600000000, 0.0000362300000000, -0.0000195600000000 ] - [ -0.0000604000000000, 0.0001980800000000, 0.0002294200000000 ] - [ 0.0001667100000000, 0.0006518900000000, 0.0000886100000000 ] - [ 0.0010162800000000, -0.0019833400000000, 0.0002232200000000 ] - [ 0.0003131600000000, 0.0010181600000000, -0.0000064200000000 ] - [ -0.0020584800000000, 0.0004842500000000, 0.0002914300000000 ] - [ -0.0006894600000000, 0.0002798500000000, -0.0000243200000000 ] - [ 0.0002636800000000, 0.0006443300000000, 0.0000867400000000 ] - [ -0.0002958900000000, -0.0001174900000000, 0.0000607700000000 ] - [ -0.0003310300000000, 0.0004668500000000, 0.0001088900000000 ] - [ -0.0002110700000000, 0.0002008300000000, 0.0002296700000000 ] - [ -0.0007132100000000, 0.0001170100000000, 0.0002741700000000 ] - [ 0.0002429800000000, 0.0001942500000000, 0.0001042900000000 ] - [ -0.0002896500000000, 0.0005073100000000, 0.0001154300000000 ] - [ -0.0000754400000000, 0.0003459300000000, 0.0000163100000000 ] - [ 0.0002442600000000, 0.0002412100000000, 0.0001244100000000 ] - [ 0.0003386700000000, -0.0004930400000000, -0.0000351600000000 ] - [ 0.0002626100000000, 0.0011921400000000, 0.0000069700000000 ] - [ -0.0000812200000000, 0.0000146500000000, 0.0000181000000000 ] - [ 0.0003062800000000, -0.0005451800000000, 0.0000342700000000 ] - [ 0.0008202100000000, -0.0000369200000000, -0.0002842900000000 ] - [ 0.0001259100000000, 0.0008006100000000, 0.0000226600000000 ] - [ -0.0000261300000000, -0.0004708500000000, 0.0000435500000000 ] - [ 0.0005696200000000, 0.0013540100000000, -0.0003198000000000 ] - [ -0.0009507900000000, 0.0008185400000000, 0.0003671300000000 ] - [ -0.0010590100000000, -0.0012208000000000, -0.0001125500000000 ] - [ -0.0011932600000000, -0.0005605300000000, -0.0000072500000000 ] - [ -0.0008306800000000, 0.0006858100000000, 0.0003998200000000 ] - [ 0.0004355600000000, 0.0001283300000000, 0.0004036300000000 ] - [ -0.0009677500000000, 0.0036919500000000, -0.0042825500000000 ] - [ -0.0008026400000000, 0.0005156200000000, -0.0001409100000000 ] - [ 0.0031273400000000, -0.0004258600000000, 0.0015190300000000 ] - [ -0.0023315400000000, -0.0047228100000000, 0.0024724500000000 ] - [ -0.0012149500000000, 0.0006033400000000, -0.0000579100000000 ] - [ -0.0029638900000000, -0.0038678400000000, 0.0020683300000000 ] - [ 0.0003145100000000, 0.0005011700000000, -0.0000383400000000 ] - [ -0.0007468300000000, 0.0020129400000000, 0.0003847000000000 ] - [ -0.0007264800000000, 0.0008449000000000, -0.0002424100000000 ] - [ 0.0005962700000000, 0.0000744800000000, 0.0003977600000000 ] - [ 0.0003381700000000, 0.0000789400000000, -0.0001039400000000 ] - [ 0.0047611800000000, -0.0010916500000000, 0.0017175300000000 ] - [ 0.0010725000000000, 0.0013724600000000, -0.0003250900000000 ] - [ -0.0008695200000000, 0.0015887600000000, 0.0001161300000000 ] - [ -0.0033644700000000, 0.0046765900000000, -0.0061761600000000 ] - [ -0.0004642300000000, -0.0076814800000000, -0.0028135300000000 ] - [ 0.0011688100000000, 0.0008504400000000, 0.0003260900000000 ] - [ 0.0007601200000000, 0.0011655400000000, -0.0005522400000000 ] - [ -0.0007920100000000, 0.0009441900000000, 0.0000810000000000 ] - [ -0.0003740200000000, -0.0001300800000000, 0.0001652300000000 ] - [ -0.0011921500000000, -0.0010167000000000, 0.0002741100000000 ] - [ -0.0017957400000000, 0.0024458300000000, 0.0000675600000000 ] - [ -0.0044681900000000, 0.0061211500000000, 0.0063304600000000 ] - [ -0.0019578900000000, -0.0034274700000000, -0.0032882800000000 ] - [ -0.0011550600000000, -0.0004050000000000, 0.0002536300000000 ] - [ -0.0007815000000000, -0.0005492500000000, 0.0002258200000000 ] - [ 0.0060645000000000, -0.0004406800000000, -0.0011203500000000 ] - [ -0.0014962200000000, 0.0007709200000000, -0.0005506300000000 ] - [ 0.0002125100000000, -0.0001067800000000, -0.0005520100000000 ] - [ -0.0004632900000000, 0.0005763600000000, -0.0005074500000000 ] - [ -0.0005351100000000, 0.0011024200000000, -0.0006950500000000 ] - [ 0.0008999700000000, 0.0001491000000000, -0.0006436700000000 ] - [ -0.0011545000000000, 0.0004485500000000, 0.0000716100000000 ] - [ -0.0013211700000000, 0.0036852100000000, 0.0037298000000000 ] - [ 0.0051041200000000, 0.0009703500000000, -0.0007860300000000 ] - [ 0.0008566500000000, 0.0007052200000000, -0.0005981300000000 ] - [ -0.0000004700000000, 0.0016293500000000, -0.0005241600000000 ] - [ -0.0005755600000000, 0.0005058400000000, 0.0003159100000000 ] - [ 0.0000945100000000, -0.0003398600000000, 0.0001302000000000 ] - [ 0.0008391900000000, 0.0000921900000000, 0.0001403200000000 ] - [ 0.0007900100000000, -0.0005566900000000, 0.0001699700000000 ] - [ 0.0001173200000000, -0.0002600800000000, 0.0001151100000000 ] - [ 0.0000062200000000, 0.0000199300000000, -0.0000535600000000 ] - [ 0.0005286400000000, -0.0000788100000000, -0.0000622000000000 ] - [ 0.0002344800000000, 0.0021956500000000, -0.0001522800000000 ] - [ 0.0010276500000000, -0.0013127700000000, -0.0003931400000000 ] - [ -0.0023764100000000, -0.0018494100000000, -0.0016946700000000 ] - [ -0.0010249600000000, -0.0000897500000000, -0.0001260100000000 ] - [ 0.0002071600000000, 0.0004855800000000, 0.0000819100000000 ] - [ -0.0000249700000000, -0.0008652600000000, -0.0000473300000000 ] - [ 0.0003667800000000, -0.0012985200000000, 0.0006397700000000 ] - [ 0.0006628800000000, 0.0001524900000000, 0.0000195900000000 ] - [ 0.0007443100000000, 0.0012803300000000, 0.0005279500000000 ] - [ -0.0007071300000000, -0.0013019900000000, -0.0020351200000000 ] - [ 0.0003574900000000, -0.0002049900000000, -0.0000740500000000 ] - [ 0.0019145900000000, 0.0016574300000000, 0.0004838100000000 ] - [ 0.0006103000000000, -0.0008870400000000, -0.0000988100000000 ] - [ 0.0004264600000000, 0.0005296600000000, -0.0001307700000000 ] - [ 0.0010391700000000, -0.0007045800000000, 0.0000628100000000 ] - [ 0.0006140100000000, -0.0001033500000000, -0.0000250200000000 ] - [ 0.0005985700000000, 0.0001032600000000, -0.0000885300000000 ] - [ 0.0002595200000000, -0.0005631300000000, 0.0008057900000000 ] - [ 0.0003782700000000, 0.0002605500000000, 0.0000889900000000 ] - [ -0.0001812600000000, -0.0002876900000000, -0.0001689600000000 ] - [ 0.0016308200000000, 0.0007350300000000, -0.0004873700000000 ] - [ -0.0009089100000000, -0.0008607700000000, -0.0004086500000000 ] - [ -0.0001580600000000, -0.0001115900000000, -0.0000561300000000 ] - [ 0.0003910600000000, -0.0004702900000000, 0.0000175400000000 ] - [ -0.0022632000000000, 0.0048344900000000, 0.0000725700000000 ] - [ 0.0001096000000000, -0.0002225200000000, 0.0000853000000000 ] - [ 0.0000526100000000, -0.0001878800000000, 0.0000656700000000 ] - [ -0.0031844900000000, 0.0037002200000000, 0.0027816100000000 ] - [ 0.0011838700000000, -0.0008622400000000, 0.0001314600000000 ] - [ -0.0013053200000000, -0.0000511900000000, 0.0000475500000000 ] - [ -0.0019381600000000, 0.0023342100000000, 0.0001708500000000 ] - [ -0.0004818200000000, -0.0001663700000000, 0.0000405100000000 ] - [ -0.0011294900000000, -0.0001173600000000, -0.0004292700000000 ] - [ -0.0007883600000000, -0.0003760000000000, -0.0002358300000000 ] - [ -0.0018697300000000, 0.0031507500000000, 0.0003054700000000 ] - [ 0.0006184800000000, 0.0009091700000000, 0.0001779600000000 ] - [ 0.0000161000000000, -0.0004193200000000, 0.0000910200000000 ] - [ 0.0019953900000000, 0.0018066000000000, 0.0032302500000000 ] - [ 0.0001047400000000, -0.0009479700000000, 0.0000844700000000 ] - [ -0.0016371200000000, 0.0027822200000000, 0.0004426000000000 ] - [ 0.0004044500000000, 0.0001140200000000, -0.0000180100000000 ] - [ 0.0002145400000000, -0.0006184500000000, -0.0002514000000000 ] - [ -0.0003594500000000, -0.0002147400000000, 0.0003513500000000 ] - [ 0.0005333700000000, 0.0000095100000000, -0.0000583200000000 ] - [ 0.0000405200000000, -0.0011971000000000, 0.0001822800000000 ] - [ 0.0004866200000000, 0.0001540300000000, -0.0001898600000000 ] - [ 0.0006390500000000, -0.0001368400000000, -0.0002622000000000 ] - [ -0.0004352500000000, -0.0004116100000000, 0.0007947600000000 ] - [ 0.0008156200000000, -0.0004784400000000, 0.0000860500000000 ] - [ -0.0002554500000000, -0.0015999700000000, 0.0001395900000000 ] - [ 0.0005654200000000, -0.0012419500000000, -0.0000670200000000 ] - [ 0.0004945200000000, -0.0002278100000000, 0.0000589100000000 ] - [ 0.0003778600000000, 0.0002214800000000, 0.0000484300000000 ] - [ 0.0000192000000000, -0.0004684200000000, -0.0002191100000000 ] - [ -0.0011916500000000, 0.0003483700000000, 0.0000183600000000 ] - [ -0.0003242700000000, -0.0001706600000000, 0.0008557100000000 ] - [ 0.0004533000000000, 0.0000316600000000, 0.0000773900000000 ] - [ 0.0001942800000000, -0.0010038800000000, -0.0000684300000000 ] - [ 0.0004616700000000, -0.0004500200000000, -0.0000764800000000 ] - [ -0.0023853200000000, -0.0000502400000000, -0.0004388100000000 ] - [ -0.0001424400000000, -0.0004919900000000, 0.0000807600000000 ] - [ 0.0000419400000000, -0.0005453300000000, 0.0008159400000000 ] - [ 0.0008304000000000, -0.0002855200000000, 0.0001381300000000 ] - [ -0.0002130600000000, -0.0002089200000000, -0.0002085100000000 ] - [ -0.0024150600000000, 0.0030779700000000, -0.0014599400000000 ] - [ -0.0003658900000000, -0.0000790700000000, -0.0000462200000000 ] - [ 0.0002643000000000, 0.0000489100000000, -0.0002333000000000 ] - [ 0.0004272400000000, -0.0007919400000000, -0.0003020700000000 ] - [ 0.0020718300000000, 0.0008930100000000, 0.0014294000000000 ] - [ 0.0001960000000000, 0.0004303600000000, 0.0000930200000000 ] - [ 0.0004791800000000, 0.0007311800000000, 0.0000332500000000 ] - [ -0.0004859500000000, -0.0003862800000000, -0.0000063700000000 ] - [ -0.0000751700000000, -0.0000801200000000, -0.0000649300000000 ] - [ 0.0000409200000000, -0.0002527600000000, -0.0000776700000000 ] - [ 0.0016653800000000, -0.0022553700000000, -0.0013116100000000 ] - [ 0.0027420100000000, 0.0012857500000000, -0.0026293100000000 ] - [ 0.0005440700000000, -0.0001918400000000, -0.0000245800000000 ] - [ -0.0002513900000000, -0.0003117400000000, -0.0000280700000000 ] - [ 0.0000357900000000, 0.0003801300000000, -0.0000818900000000 ] - [ -0.0022235200000000, -0.0010888500000000, 0.0028772400000000 ] - [ 0.0001236800000000, -0.0005545700000000, -0.0001684700000000 ] - [ 0.0009792800000000, 0.0008613700000000, -0.0001942800000000 ] - [ -0.0001951900000000, -0.0002741600000000, 0.0000471500000000 ] - [ 0.0002663300000000, 0.0003808000000000, -0.0002975200000000 ] - [ -0.0006098600000000, -0.0004902100000000, 0.0001292000000000 ] - [ -0.0005629100000000, -0.0000030300000000, -0.0000271200000000 ] - [ -0.0017520600000000, 0.0040524700000000, 0.0003915000000000 ] - [ -0.0012927800000000, -0.0015742900000000, -0.0002243500000000 ] - [ 0.0013753800000000, -0.0020421000000000, -0.0003288600000000 ] - [ -0.0006481400000000, 0.0003066800000000, 0.0001517600000000 ] - [ -0.0007131000000000, -0.0005383000000000, 0.0001466500000000 ]- atom: 1 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0125049700000000, 0.0221847200000000, 0.0036266800000000 ] - [ 0.0002836700000000, 0.0001095800000000, 0.0000611600000000 ] - [ -0.0002033800000000, 0.0004437100000000, 0.0001895800000000 ] - [ -0.0003663900000000, 0.0002456000000000, 0.0002598300000000 ] - [ 0.0005038100000000, -0.0002391800000000, 0.0000535800000000 ] - [ 0.0002458000000000, -0.0002193300000000, 0.0002305400000000 ] - [ -0.0001647300000000, -0.0006495900000000, 0.0000193400000000 ] - [ -0.0009634000000000, 0.0019441200000000, 0.0000034000000000 ] - [ -0.0003164800000000, -0.0010215000000000, 0.0001151600000000 ] - [ 0.0021449100000000, -0.0006531800000000, 0.0001683300000000 ] - [ 0.0009794600000000, -0.0000748500000000, 0.0000580200000000 ] - [ -0.0002635800000000, -0.0006421400000000, -0.0000344100000000 ] - [ 0.0002957900000000, 0.0001182800000000, 0.0000630500000000 ] - [ 0.0002795700000000, -0.0004895700000000, 0.0001177100000000 ] - [ 0.0000249900000000, -0.0001791000000000, 0.0002302000000000 ] - [ 0.0006379200000000, 0.0000510200000000, 0.0001858700000000 ] - [ -0.0002476000000000, -0.0002499000000000, 0.0001219500000000 ] - [ 0.0003402500000000, -0.0004843300000000, 0.0001111000000000 ] - [ 0.0000419500000000, 0.0000114600000000, 0.0000180000000000 ] - [ -0.0002388800000000, -0.0001850300000000, 0.0001017100000000 ] - [ -0.0000106300000000, 0.0003402200000000, 0.0000705900000000 ] - [ -0.0002624800000000, -0.0011879700000000, 0.0000460800000000 ] - [ 0.0001147200000000, -0.0003716900000000, 0.0000162100000000 ] - [ -0.0006380300000000, 0.0006932200000000, 0.0000014100000000 ] - [ -0.0009543800000000, -0.0012387700000000, -0.0002167400000000 ] - [ -0.0003938000000000, -0.0004431600000000, -0.0000684100000000 ] - [ 0.0013283500000000, -0.0006238300000000, -0.0001530900000000 ] - [ 0.0005982600000000, -0.0008218300000000, -0.0001786800000000 ] - [ 0.0009348900000000, -0.0007718200000000, 0.0004356500000000 ] - [ 0.0007463300000000, -0.0004404600000000, 0.0000040400000000 ] - [ -0.0004093700000000, -0.0000108700000000, -0.0000960000000000 ] - [ 0.0008451000000000, -0.0007307800000000, 0.0004025200000000 ] - [ -0.0004834700000000, -0.0001156600000000, 0.0003999700000000 ] - [ -0.0000946600000000, -0.0029404900000000, 0.0038209900000000 ] - [ 0.0011097200000000, 0.0011460700000000, 0.0000324000000000 ] - [ -0.0035324900000000, 0.0003358400000000, -0.0015552100000000 ] - [ 0.0023356100000000, 0.0047699800000000, -0.0016700100000000 ] - [ -0.0000892600000000, 0.0004925800000000, -0.0000508100000000 ] - [ 0.0029387700000000, 0.0038026900000000, -0.0012676800000000 ] - [ -0.0000460700000000, -0.0008568700000000, -0.0000074900000000 ] - [ 0.0009219900000000, -0.0015923400000000, -0.0004198200000000 ] - [ -0.0004422800000000, -0.0013744700000000, -0.0002564900000000 ] - [ -0.0005467400000000, -0.0000875300000000, 0.0004055400000000 ] - [ 0.0012623700000000, 0.0004916000000000, 0.0000005100000000 ] - [ -0.0043369100000000, 0.0011762300000000, -0.0017532800000000 ] - [ -0.0009332800000000, -0.0000939600000000, -0.0001754600000000 ] - [ 0.0006916500000000, -0.0020061400000000, -0.0001578200000000 ] - [ 0.0043728900000000, -0.0053704100000000, 0.0056192400000000 ] - [ 0.0007083400000000, 0.0066831600000000, 0.0016699800000000 ] - [ 0.0004935600000000, -0.0004721500000000, 0.0003480300000000 ] - [ -0.0009759500000000, -0.0005379800000000, -0.0007221600000000 ] - [ 0.0019590600000000, -0.0021838800000000, 0.0005874200000000 ] - [ 0.0010331600000000, -0.0004290800000000, 0.0001950100000000 ] - [ 0.0010295300000000, 0.0001863300000000, 0.0000758200000000 ] - [ 0.0006247900000000, -0.0012040800000000, 0.0006086100000000 ] - [ 0.0051231300000000, -0.0061616500000000, -0.0075374200000000 ] - [ 0.0016910200000000, 0.0044258400000000, 0.0021446100000000 ] - [ 0.0013119100000000, 0.0012342500000000, 0.0000963500000000 ] - [ 0.0000036300000000, 0.0002604400000000, 0.0001226600000000 ] - [ -0.0065489600000000, -0.0011728200000000, 0.0017923100000000 ] - [ 0.0004378300000000, -0.0004913600000000, -0.0005872900000000 ] - [ -0.0009562100000000, -0.0006646900000000, -0.0005837700000000 ] - [ 0.0015192900000000, -0.0008538300000000, -0.0006310400000000 ] - [ 0.0001197900000000, -0.0016697500000000, -0.0005756200000000 ] - [ -0.0006813400000000, -0.0007768200000000, -0.0006317000000000 ] - [ 0.0004926500000000, 0.0001119700000000, 0.0002898700000000 ] - [ 0.0006208500000000, -0.0035505900000000, -0.0050344700000000 ] - [ -0.0045732400000000, 0.0006428400000000, 0.0014542700000000 ] - [ -0.0001111800000000, 0.0000661200000000, -0.0005379100000000 ] - [ 0.0004151400000000, -0.0010588700000000, -0.0007469200000000 ] - [ -0.0010861400000000, -0.0008819900000000, 0.0003577400000000 ] - [ 0.0006810400000000, 0.0006271400000000, 0.0002180800000000 ] - [ -0.0002247400000000, 0.0002029300000000, 0.0000382300000000 ] - [ -0.0000613900000000, 0.0009087800000000, 0.0000927100000000 ] - [ 0.0007461600000000, 0.0005183800000000, 0.0001495500000000 ] - [ -0.0007888300000000, 0.0004406000000000, 0.0001326100000000 ] - [ -0.0003584900000000, -0.0000751700000000, 0.0000196600000000 ] - [ -0.0000459300000000, -0.0019178200000000, 0.0000322700000000 ] - [ -0.0009644900000000, 0.0017959800000000, 0.0000621600000000 ] - [ 0.0012941500000000, 0.0018108200000000, 0.0017051500000000 ] - [ 0.0003131600000000, 0.0003415200000000, 0.0000738300000000 ] - [ -0.0007718500000000, -0.0000988200000000, 0.0000952100000000 ] - [ 0.0006431600000000, -0.0001148000000000, 0.0000684700000000 ] - [ -0.0017612000000000, 0.0021903500000000, -0.0013513200000000 ] - [ -0.0000954600000000, -0.0005390600000000, 0.0001579400000000 ] - [ -0.0007557800000000, -0.0003648300000000, -0.0004483900000000 ] - [ 0.0017899700000000, 0.0013321700000000, 0.0020146700000000 ] - [ -0.0005147300000000, 0.0005062400000000, -0.0000456400000000 ] - [ -0.0021007300000000, -0.0019218300000000, -0.0006018600000000 ] - [ -0.0005224800000000, 0.0012605500000000, -0.0003323700000000 ] - [ -0.0003737200000000, -0.0003093400000000, 0.0000894400000000 ] - [ -0.0008157000000000, 0.0002080300000000, 0.0000245700000000 ] - [ -0.0000798300000000, 0.0002792900000000, -0.0001095900000000 ] - [ -0.0003756000000000, -0.0000405200000000, 0.0000444500000000 ] - [ -0.0001045400000000, 0.0005900600000000, 0.0008121900000000 ] - [ -0.0004290100000000, -0.0004813200000000, -0.0001297000000000 ] - [ -0.0002061400000000, 0.0005827500000000, -0.0001617700000000 ] - [ -0.0012004800000000, -0.0011161900000000, 0.0003564600000000 ] - [ -0.0005606600000000, 0.0001023300000000, -0.0003030000000000 ] - [ 0.0000456700000000, -0.0004409900000000, -0.0000835500000000 ] - [ -0.0005063900000000, 0.0011866800000000, -0.0000596000000000 ] - [ 0.0024764800000000, -0.0039596400000000, 0.0001976700000000 ] - [ -0.0001592700000000, -0.0004586200000000, 0.0000900100000000 ] - [ -0.0006669600000000, -0.0001078800000000, 0.0001131500000000 ] - [ 0.0027367000000000, -0.0042778100000000, -0.0030290500000000 ] - [ -0.0005280400000000, 0.0002441200000000, 0.0001315600000000 ] - [ 0.0013810500000000, 0.0016983300000000, -0.0007601900000000 ] - [ 0.0016211500000000, -0.0027800400000000, -0.0000844900000000 ] - [ -0.0003157100000000, -0.0002800000000000, 0.0000425700000000 ] - [ 0.0006745200000000, -0.0000798300000000, 0.0000926700000000 ] - [ 0.0012402000000000, 0.0005760200000000, -0.0001020100000000 ] - [ 0.0021804200000000, -0.0026838600000000, -0.0002340800000000 ] - [ -0.0005999400000000, -0.0018255200000000, -0.0001002600000000 ] - [ 0.0005297000000000, 0.0003692400000000, -0.0000044800000000 ] - [ -0.0026483700000000, -0.0014024800000000, -0.0029662700000000 ] - [ -0.0008321700000000, 0.0005949100000000, 0.0001781800000000 ] - [ 0.0014070300000000, -0.0036511200000000, -0.0001822300000000 ] - [ -0.0005712300000000, 0.0000381400000000, -0.0000230500000000 ] - [ 0.0003212700000000, 0.0015986200000000, 0.0002532400000000 ] - [ 0.0004677600000000, 0.0000816700000000, 0.0012745600000000 ] - [ -0.0001876700000000, -0.0000727600000000, -0.0002073200000000 ] - [ -0.0001075200000000, 0.0010855000000000, -0.0001679100000000 ] - [ -0.0005798500000000, 0.0001369400000000, -0.0000949900000000 ] - [ 0.0008293700000000, 0.0008933400000000, -0.0004489900000000 ] - [ 0.0003788900000000, 0.0002619000000000, 0.0008197100000000 ] - [ -0.0000305700000000, 0.0000172400000000, -0.0000062200000000 ] - [ -0.0002794800000000, 0.0006161700000000, -0.0001379100000000 ] - [ -0.0004476500000000, 0.0005241200000000, 0.0000245100000000 ] - [ -0.0011484300000000, 0.0008430800000000, 0.0002049100000000 ] - [ 0.0004191300000000, 0.0002262600000000, 0.0000344400000000 ] - [ 0.0002601100000000, 0.0002053300000000, -0.0002130700000000 ] - [ 0.0015476900000000, -0.0002321700000000, -0.0004442100000000 ] - [ 0.0003786800000000, 0.0003194200000000, 0.0007596700000000 ] - [ -0.0006755700000000, -0.0000947100000000, -0.0001205000000000 ] - [ -0.0001260900000000, 0.0011132200000000, 0.0000839000000000 ] - [ -0.0003036100000000, 0.0001479200000000, -0.0000434400000000 ] - [ 0.0020213900000000, -0.0000655500000000, 0.0000089600000000 ] - [ 0.0002148500000000, 0.0003670300000000, -0.0000647500000000 ] - [ -0.0001960400000000, 0.0005171800000000, 0.0008019700000000 ] - [ -0.0010520700000000, 0.0007808300000000, -0.0000523000000000 ] - [ -0.0000668000000000, 0.0004710700000000, -0.0002237600000000 ] - [ 0.0025067700000000, -0.0032003100000000, 0.0015777800000000 ] - [ 0.0000260000000000, 0.0000929700000000, -0.0000753700000000 ] - [ -0.0006083300000000, 0.0000138500000000, -0.0000322700000000 ] - [ -0.0005161900000000, 0.0004218200000000, -0.0001288300000000 ] - [ -0.0013918500000000, -0.0013224300000000, -0.0011602000000000 ] - [ -0.0001449900000000, 0.0002515100000000, 0.0000826100000000 ] - [ -0.0002653100000000, -0.0004779500000000, -0.0003038200000000 ] - [ -0.0000601900000000, 0.0004343900000000, 0.0000920400000000 ] - [ 0.0004140700000000, 0.0000660000000000, -0.0000570200000000 ] - [ -0.0005737400000000, 0.0000763100000000, -0.0000567200000000 ] - [ -0.0017244400000000, 0.0017585900000000, 0.0009747300000000 ] - [ -0.0021661800000000, -0.0007769400000000, 0.0025592400000000 ] - [ -0.0004481100000000, -0.0001001100000000, -0.0002592600000000 ] - [ 0.0001779600000000, 0.0004354500000000, 0.0000441200000000 ] - [ 0.0000768600000000, 0.0001738400000000, -0.0000582800000000 ] - [ 0.0020694400000000, 0.0010993800000000, -0.0028417100000000 ] - [ 0.0002632600000000, 0.0002581400000000, -0.0001624000000000 ] - [ -0.0014023000000000, -0.0004794600000000, 0.0000613400000000 ] - [ 0.0009053700000000, 0.0000239500000000, -0.0000997500000000 ] - [ -0.0004780000000000, -0.0006319700000000, 0.0000260300000000 ] - [ 0.0005768200000000, -0.0003143200000000, 0.0001305100000000 ] - [ -0.0000569000000000, 0.0009824500000000, 0.0000486800000000 ] - [ 0.0014197000000000, -0.0035383500000000, 0.0012417600000000 ] - [ 0.0012037800000000, -0.0000789300000000, -0.0004861100000000 ] - [ 0.0000235300000000, 0.0011419300000000, -0.0003881900000000 ] - [ 0.0006785800000000, 0.0004984100000000, 0.0001088100000000 ] - [ -0.0001502600000000, 0.0002807100000000, 0.0001179400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0027286800000000, -0.0021749900000000, -0.0234413200000000 ] - [ 0.0000042600000000, 0.0000013200000000, 0.0001235100000000 ] - [ 0.0000187200000000, 0.0000909400000000, 0.0000321700000000 ] - [ -0.0001237600000000, -0.0000500000000000, 0.0005834000000000 ] - [ -0.0001782600000000, -0.0001652100000000, 0.0004730200000000 ] - [ 0.0000931300000000, -0.0000159200000000, 0.0002617600000000 ] - [ 0.0000415000000000, -0.0000962600000000, 0.0004079200000000 ] - [ 0.0000917200000000, -0.0000986700000000, 0.0045292800000000 ] - [ 0.0000363100000000, -0.0000842800000000, -0.0004229700000000 ] - [ -0.0000094600000000, -0.0000781000000000, -0.0006660700000000 ] - [ 0.0001092800000000, 0.0000847000000000, -0.0001964100000000 ] - [ 0.0000468700000000, 0.0000798700000000, 0.0004363300000000 ] - [ 0.0000031500000000, 0.0000021600000000, -0.0000004600000000 ] - [ -0.0000367400000000, -0.0000050200000000, 0.0001733800000000 ] - [ -0.0000936200000000, 0.0000142700000000, 0.0002017600000000 ] - [ -0.0000761100000000, 0.0000889800000000, 0.0006128000000000 ] - [ -0.0000007900000000, -0.0000314800000000, 0.0000577400000000 ] - [ 0.0000168800000000, 0.0000172700000000, 0.0000579000000000 ] - [ -0.0000173800000000, 0.0001855800000000, 0.0000521500000000 ] - [ 0.0000029100000000, 0.0000228800000000, 0.0001731400000000 ] - [ 0.0002234600000000, -0.0000340300000000, 0.0004382500000000 ] - [ 0.0000303900000000, 0.0000392300000000, -0.0002911700000000 ] - [ 0.0000171000000000, -0.0001802800000000, -0.0000142600000000 ] - [ -0.0001119300000000, 0.0001296500000000, -0.0007874800000000 ] - [ -0.0003920900000000, -0.0011152600000000, -0.0000330700000000 ] - [ -0.0001483100000000, 0.0002699600000000, -0.0000989200000000 ] - [ 0.0005871900000000, -0.0004604400000000, -0.0001926500000000 ] - [ 0.0005625700000000, 0.0001726200000000, -0.0001354100000000 ] - [ 0.0000928800000000, -0.0000312100000000, 0.0002985900000000 ] - [ 0.0007427200000000, -0.0008401800000000, 0.0005219800000000 ] - [ -0.0009050700000000, -0.0003593600000000, -0.0001322800000000 ] - [ 0.0000474700000000, -0.0000179700000000, 0.0004646900000000 ] - [ 0.0000415000000000, 0.0000025100000000, 0.0004677400000000 ] - [ 0.0006662300000000, -0.0042047800000000, 0.0045312700000000 ] - [ 0.0005710700000000, 0.0008242100000000, -0.0003408600000000 ] - [ 0.0006835900000000, 0.0043531300000000, 0.0028841100000000 ] - [ -0.0054209600000000, -0.0006310200000000, 0.0055056800000000 ] - [ -0.0006652800000000, 0.0005904800000000, 0.0000228700000000 ] - [ -0.0034813600000000, -0.0002972200000000, -0.0008589500000000 ] - [ 0.0001026200000000, -0.0000864100000000, 0.0000473300000000 ] - [ -0.0001508600000000, 0.0006108700000000, 0.0003383700000000 ] - [ -0.0005819600000000, -0.0003077100000000, -0.0003291200000000 ] - [ 0.0001122000000000, 0.0000177100000000, 0.0003124300000000 ] - [ 0.0007747600000000, 0.0002417300000000, 0.0000139200000000 ] - [ 0.0028794400000000, 0.0033185900000000, -0.0010332300000000 ] - [ -0.0002992500000000, 0.0000542600000000, -0.0005261600000000 ] - [ -0.0004833800000000, 0.0005332400000000, -0.0006622300000000 ] - [ 0.0034146100000000, -0.0041084500000000, -0.0016001800000000 ] - [ 0.0068457100000000, -0.0009605100000000, 0.0054582900000000 ] - [ 0.0009008600000000, 0.0001052000000000, 0.0002504200000000 ] - [ 0.0001013700000000, 0.0010609000000000, -0.0008604800000000 ] - [ 0.0008910500000000, -0.0009091100000000, 0.0007299500000000 ] - [ 0.0003692100000000, -0.0003330900000000, 0.0002829100000000 ] - [ -0.0004774800000000, -0.0005434100000000, -0.0000741400000000 ] - [ -0.0000864300000000, 0.0000424200000000, -0.0003568800000000 ] - [ -0.0018201600000000, 0.0046144400000000, -0.0026259400000000 ] - [ 0.0038975900000000, -0.0006273800000000, -0.0022256000000000 ] - [ -0.0007848200000000, 0.0001211800000000, 0.0006704800000000 ] - [ -0.0003500100000000, -0.0000718200000000, 0.0002432000000000 ] - [ -0.0046376900000000, -0.0043455100000000, -0.0007000000000000 ] - [ -0.0006073200000000, 0.0001467400000000, -0.0004837400000000 ] - [ -0.0005223700000000, -0.0004273900000000, -0.0007168900000000 ] - [ 0.0003717800000000, -0.0001371400000000, -0.0007005100000000 ] - [ -0.0002045100000000, -0.0001946600000000, -0.0007508200000000 ] - [ 0.0003250300000000, 0.0002144100000000, -0.0004359000000000 ] - [ -0.0001865300000000, 0.0001481600000000, -0.0000097400000000 ] - [ -0.0009103800000000, 0.0057478700000000, 0.0050650100000000 ] - [ -0.0016180700000000, -0.0030499600000000, 0.0033135100000000 ] - [ 0.0002653400000000, 0.0003583300000000, -0.0004529200000000 ] - [ 0.0002094900000000, 0.0004821200000000, -0.0004730400000000 ] - [ -0.0007558500000000, -0.0002961300000000, 0.0004139500000000 ] - [ 0.0004866100000000, 0.0003026600000000, 0.0000776700000000 ] - [ 0.0002919000000000, 0.0001586400000000, 0.0002417200000000 ] - [ 0.0003871600000000, 0.0001833200000000, 0.0001156800000000 ] - [ 0.0004616000000000, 0.0001397500000000, 0.0001498200000000 ] - [ -0.0003650300000000, 0.0002127900000000, 0.0000270900000000 ] - [ 0.0001967300000000, -0.0001055000000000, -0.0000031900000000 ] - [ -0.0000836700000000, 0.0003813300000000, -0.0042470700000000 ] - [ 0.0007871500000000, -0.0014046000000000, -0.0006686300000000 ] - [ -0.0012511100000000, -0.0025144200000000, -0.0006685700000000 ] - [ -0.0005240300000000, -0.0000256600000000, -0.0000391300000000 ] - [ -0.0002867500000000, 0.0002107600000000, 0.0003833400000000 ] - [ 0.0002754800000000, -0.0006895200000000, 0.0000474200000000 ] - [ -0.0011129500000000, 0.0010087700000000, -0.0001719000000000 ] - [ 0.0002876500000000, -0.0001519000000000, -0.0005080600000000 ] - [ -0.0010886800000000, 0.0005723000000000, 0.0002353600000000 ] - [ 0.0010097800000000, -0.0016249000000000, -0.0003528900000000 ] - [ -0.0000668600000000, 0.0001610000000000, 0.0000786800000000 ] - [ -0.0002456200000000, 0.0000078100000000, 0.0025191700000000 ] - [ 0.0000537400000000, 0.0001640600000000, 0.0004222800000000 ] - [ -0.0002126800000000, -0.0000210200000000, -0.0000075900000000 ] - [ -0.0000142700000000, -0.0001900700000000, 0.0000068700000000 ] - [ 0.0002286600000000, 0.0001385700000000, -0.0000430900000000 ] - [ 0.0001280900000000, 0.0000440100000000, -0.0000405000000000 ] - [ 0.0000799200000000, 0.0000049600000000, 0.0009062300000000 ] - [ -0.0001352200000000, -0.0001703400000000, -0.0000285700000000 ] - [ -0.0001929200000000, 0.0001152000000000, -0.0001473500000000 ] - [ 0.0017184300000000, -0.0001085200000000, -0.0004056700000000 ] - [ -0.0007408000000000, -0.0003336400000000, -0.0003737300000000 ] - [ -0.0001020700000000, -0.0003322900000000, -0.0000671100000000 ] - [ -0.0000421100000000, 0.0002984200000000, -0.0000337500000000 ] - [ 0.0008992500000000, 0.0012336000000000, 0.0026200900000000 ] - [ -0.0000253200000000, -0.0003524600000000, 0.0002039100000000 ] - [ -0.0003096500000000, -0.0001449700000000, 0.0000005200000000 ] - [ -0.0030327600000000, 0.0010639900000000, 0.0043026800000000 ] - [ 0.0004411100000000, -0.0003738300000000, 0.0000872400000000 ] - [ 0.0008725800000000, 0.0020205100000000, -0.0006372400000000 ] - [ 0.0014010100000000, 0.0002944400000000, -0.0000591700000000 ] - [ -0.0003462200000000, -0.0002062400000000, 0.0000584300000000 ] - [ -0.0007486700000000, -0.0008555300000000, -0.0002892600000000 ] - [ -0.0002562100000000, -0.0011737600000000, -0.0000060300000000 ] - [ 0.0020275000000000, 0.0023874900000000, -0.0014551500000000 ] - [ -0.0020513700000000, -0.0005183800000000, -0.0002723200000000 ] - [ 0.0002430600000000, -0.0000116700000000, 0.0000528600000000 ] - [ -0.0030360400000000, 0.0019504800000000, -0.0014169400000000 ] - [ -0.0003224500000000, -0.0001845000000000, 0.0001459600000000 ] - [ -0.0030360900000000, -0.0010283400000000, -0.0003048100000000 ] - [ 0.0001684900000000, 0.0000133300000000, -0.0000551000000000 ] - [ 0.0002543000000000, 0.0001729500000000, 0.0000449900000000 ] - [ -0.0002142200000000, -0.0002651600000000, -0.0030324000000000 ] - [ 0.0001367800000000, -0.0000709400000000, -0.0001519500000000 ] - [ -0.0000785600000000, 0.0001354100000000, 0.0000983900000000 ] - [ -0.0003376400000000, 0.0003353100000000, -0.0001841600000000 ] - [ 0.0007134700000000, 0.0004247500000000, -0.0003432700000000 ] - [ -0.0000184700000000, -0.0001322500000000, 0.0012067900000000 ] - [ 0.0004484600000000, -0.0002529900000000, 0.0000544900000000 ] - [ -0.0002698900000000, -0.0006660000000000, -0.0000234800000000 ] - [ 0.0000465900000000, -0.0003594700000000, -0.0000091200000000 ] - [ -0.0001091400000000, 0.0001851300000000, 0.0002080500000000 ] - [ 0.0004284300000000, 0.0002336900000000, 0.0000273400000000 ] - [ 0.0001312600000000, -0.0001316700000000, -0.0001168700000000 ] - [ 0.0004413300000000, 0.0000215800000000, -0.0028957500000000 ] - [ 0.0000344800000000, 0.0000586900000000, 0.0004760000000000 ] - [ -0.0001654700000000, -0.0000133200000000, 0.0000009400000000 ] - [ 0.0000031200000000, 0.0001494000000000, -0.0000450000000000 ] - [ 0.0000866500000000, -0.0001543800000000, -0.0001490400000000 ] - [ 0.0002275600000000, 0.0000362500000000, 0.0021442100000000 ] - [ 0.0000375500000000, 0.0001322800000000, -0.0000251800000000 ] - [ -0.0000685900000000, -0.0000354100000000, 0.0006746500000000 ] - [ -0.0003258800000000, 0.0004017100000000, 0.0001141500000000 ] - [ -0.0001449300000000, 0.0001364600000000, -0.0003108800000000 ] - [ 0.0004746100000000, -0.0013596700000000, 0.0032273900000000 ] - [ -0.0001655700000000, 0.0000107400000000, -0.0001654100000000 ] - [ -0.0001707600000000, 0.0000040200000000, -0.0001125000000000 ] - [ -0.0000481400000000, -0.0001995500000000, -0.0005613300000000 ] - [ -0.0009657000000000, 0.0004394800000000, 0.0001513500000000 ] - [ 0.0000227600000000, 0.0003370600000000, 0.0000076100000000 ] - [ 0.0003666400000000, 0.0002947500000000, -0.0000843500000000 ] - [ -0.0002945500000000, 0.0000558200000000, 0.0000375500000000 ] - [ 0.0001762500000000, -0.0000066600000000, 0.0000760300000000 ] - [ -0.0002800800000000, -0.0000752000000000, -0.0000801600000000 ] - [ 0.0003661000000000, -0.0010514900000000, 0.0001853400000000 ] - [ 0.0026477000000000, -0.0013419800000000, -0.0004652600000000 ] - [ -0.0000802100000000, -0.0000512600000000, -0.0001153900000000 ] - [ -0.0000368200000000, 0.0002282100000000, 0.0000426900000000 ] - [ 0.0000265400000000, 0.0002593300000000, -0.0000739700000000 ] - [ -0.0000463100000000, 0.0029527800000000, -0.0017392800000000 ] - [ 0.0001813400000000, -0.0002025500000000, -0.0001879700000000 ] - [ 0.0005162400000000, 0.0002362700000000, 0.0000998000000000 ] - [ 0.0002232600000000, -0.0002275500000000, -0.0000174600000000 ] - [ 0.0000152600000000, -0.0000476200000000, -0.0001657900000000 ] - [ 0.0001735700000000, -0.0003128500000000, 0.0001128800000000 ] - [ -0.0002803800000000, 0.0002378800000000, -0.0000472000000000 ] - [ -0.0001775300000000, -0.0000135200000000, 0.0043994400000000 ] - [ 0.0004318200000000, 0.0004651100000000, -0.0002016000000000 ] - [ 0.0002368100000000, 0.0006526800000000, -0.0005630600000000 ] - [ 0.0002401100000000, 0.0005387500000000, 0.0001580300000000 ] - [ -0.0004089200000000, -0.0001287100000000, 0.0001181500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0031520400000000, 0.0024459700000000, 0.0236451200000000 ] - [ -0.0000040800000000, -0.0000019100000000, 0.0000002500000000 ] - [ 0.0000943600000000, 0.0000580800000000, 0.0004266200000000 ] - [ 0.0000125200000000, -0.0000973900000000, -0.0001253100000000 ] - [ -0.0001132400000000, -0.0000411100000000, -0.0004388800000000 ] - [ 0.0000924900000000, -0.0000060700000000, 0.0001981100000000 ] - [ -0.0000420300000000, 0.0000983000000000, -0.0003009500000000 ] - [ -0.0000585100000000, 0.0000685400000000, -0.0043033500000000 ] - [ -0.0000375300000000, 0.0000843900000000, 0.0005310400000000 ] - [ 0.0000798000000000, -0.0000891700000000, 0.0011260500000000 ] - [ 0.0001856300000000, 0.0001199400000000, 0.0002304300000000 ] - [ -0.0000467500000000, -0.0000798800000000, -0.0003845900000000 ] - [ -0.0000018100000000, -0.0000014700000000, 0.0001242300000000 ] - [ -0.0000140900000000, -0.0000185200000000, 0.0000531800000000 ] - [ -0.0000912700000000, 0.0000074800000000, 0.0002580900000000 ] - [ 0.0000024700000000, 0.0000801800000000, -0.0001531900000000 ] - [ -0.0000043000000000, -0.0000242900000000, 0.0001685500000000 ] - [ 0.0000345000000000, 0.0000049900000000, 0.0001687400000000 ] - [ -0.0000151200000000, 0.0001720700000000, -0.0000175400000000 ] - [ 0.0000021200000000, 0.0000335300000000, 0.0000528800000000 ] - [ 0.0001022900000000, -0.0001181700000000, -0.0004029300000000 ] - [ -0.0000328700000000, -0.0000438400000000, 0.0003443100000000 ] - [ 0.0000163200000000, -0.0001774300000000, 0.0000486300000000 ] - [ -0.0002177900000000, 0.0000214500000000, 0.0008234400000000 ] - [ 0.0002563700000000, -0.0001619900000000, -0.0004685700000000 ] - [ -0.0001184100000000, 0.0000873300000000, 0.0000532000000000 ] - [ 0.0007159800000000, -0.0006368100000000, 0.0000841600000000 ] - [ 0.0006068900000000, 0.0003581700000000, -0.0003636300000000 ] - [ -0.0001087700000000, 0.0000756100000000, 0.0005037700000000 ] - [ -0.0010472300000000, -0.0008225300000000, -0.0006307400000000 ] - [ -0.0006937100000000, -0.0002105300000000, 0.0000287200000000 ] - [ -0.0000295600000000, -0.0000281400000000, 0.0003378400000000 ] - [ -0.0000908100000000, 0.0000099300000000, 0.0003361300000000 ] - [ -0.0017151600000000, 0.0049194600000000, -0.0050281600000000 ] - [ -0.0002612600000000, 0.0008388600000000, 0.0002341300000000 ] - [ -0.0011066900000000, -0.0044014600000000, -0.0029280200000000 ] - [ 0.0054863300000000, 0.0006684100000000, -0.0047215200000000 ] - [ -0.0006354900000000, 0.0005058400000000, -0.0001318900000000 ] - [ 0.0034579800000000, 0.0002567200000000, 0.0016352400000000 ] - [ 0.0001638100000000, -0.0002699500000000, -0.0000936400000000 ] - [ 0.0003287900000000, -0.0001978400000000, -0.0003767500000000 ] - [ -0.0005878100000000, -0.0002252000000000, -0.0001695500000000 ] - [ -0.0000626300000000, -0.0000291200000000, 0.0004911300000000 ] - [ 0.0008267600000000, 0.0003292600000000, -0.0001175200000000 ] - [ -0.0024565200000000, -0.0032587800000000, 0.0010105700000000 ] - [ 0.0004356900000000, 0.0012263300000000, 0.0000264100000000 ] - [ 0.0003062000000000, -0.0009526600000000, 0.0006273400000000 ] - [ -0.0023752000000000, 0.0033591900000000, 0.0011460400000000 ] - [ -0.0065280200000000, -0.0000558400000000, -0.0065786800000000 ] - [ 0.0007628300000000, 0.0002732300000000, 0.0004236500000000 ] - [ -0.0003203200000000, -0.0004313100000000, -0.0004139800000000 ] - [ 0.0002813500000000, -0.0003362600000000, -0.0000595100000000 ] - [ 0.0002936400000000, -0.0002255900000000, 0.0000774200000000 ] - [ 0.0003189900000000, -0.0002845000000000, 0.0004227500000000 ] - [ -0.0010840100000000, 0.0011990700000000, 0.0010258100000000 ] - [ 0.0025348200000000, -0.0047260000000000, 0.0013025300000000 ] - [ -0.0041771100000000, 0.0016659400000000, 0.0011201700000000 ] - [ 0.0009490700000000, 0.0007074200000000, -0.0003196200000000 ] - [ -0.0004270200000000, -0.0002159900000000, 0.0001053700000000 ] - [ 0.0041433900000000, 0.0027122000000000, 0.0013575900000000 ] - [ -0.0004471700000000, 0.0001320500000000, -0.0006546800000000 ] - [ -0.0002202200000000, -0.0003426900000000, -0.0004188000000000 ] - [ 0.0006847000000000, -0.0001429900000000, -0.0004371400000000 ] - [ -0.0002115400000000, -0.0003772600000000, -0.0005197300000000 ] - [ -0.0001075100000000, -0.0008446900000000, -0.0008386500000000 ] - [ -0.0004729100000000, 0.0004094700000000, 0.0003693400000000 ] - [ 0.0002181700000000, -0.0056651900000000, -0.0063445000000000 ] - [ 0.0021269500000000, 0.0047003500000000, -0.0026445300000000 ] - [ 0.0004786700000000, 0.0004124400000000, -0.0006834000000000 ] - [ 0.0002072500000000, 0.0000869100000000, -0.0007977000000000 ] - [ -0.0009089500000000, -0.0000809900000000, 0.0002602900000000 ] - [ 0.0002924900000000, -0.0000136100000000, 0.0002708700000000 ] - [ 0.0003228000000000, 0.0001372700000000, -0.0000628400000000 ] - [ 0.0003399400000000, 0.0001698900000000, 0.0001472900000000 ] - [ 0.0004012200000000, 0.0001175600000000, 0.0001152200000000 ] - [ -0.0004196100000000, 0.0002478400000000, 0.0000527400000000 ] - [ -0.0000283400000000, -0.0000485100000000, -0.0000391200000000 ] - [ 0.0002615100000000, -0.0001009000000000, 0.0041302100000000 ] - [ -0.0007287400000000, 0.0018984100000000, 0.0003322900000000 ] - [ 0.0001650700000000, 0.0024898100000000, 0.0006569000000000 ] - [ -0.0001866800000000, 0.0002766600000000, -0.0000131000000000 ] - [ -0.0002800700000000, 0.0001748500000000, -0.0002061600000000 ] - [ 0.0003420100000000, -0.0002896400000000, -0.0000270100000000 ] - [ -0.0002848200000000, -0.0001093500000000, -0.0005485600000000 ] - [ 0.0002758400000000, -0.0002346300000000, 0.0006850100000000 ] - [ 0.0010799500000000, 0.0003372300000000, -0.0001605000000000 ] - [ 0.0000918600000000, 0.0016548900000000, 0.0003618500000000 ] - [ -0.0000902100000000, 0.0001410400000000, -0.0001989400000000 ] - [ 0.0000443400000000, -0.0002907800000000, -0.0026464600000000 ] - [ 0.0000365600000000, 0.0002044500000000, -0.0008526300000000 ] - [ 0.0002621700000000, 0.0002399700000000, -0.0000331800000000 ] - [ 0.0002344100000000, -0.0003049700000000, 0.0000798200000000 ] - [ 0.0003053000000000, 0.0000392000000000, -0.0000914900000000 ] - [ 0.0000916800000000, 0.0000184600000000, -0.0000031200000000 ] - [ 0.0000750200000000, 0.0000241100000000, 0.0007118700000000 ] - [ 0.0000836000000000, -0.0000514500000000, -0.0000127400000000 ] - [ -0.0001930700000000, 0.0001812800000000, -0.0001829800000000 ] - [ -0.0012973600000000, -0.0002700300000000, 0.0002712400000000 ] - [ -0.0007299600000000, -0.0004246400000000, -0.0003379200000000 ] - [ -0.0000117300000000, -0.0002213000000000, -0.0000725400000000 ] - [ -0.0000749000000000, 0.0004195200000000, -0.0000088100000000 ] - [ -0.0005377500000000, -0.0002591800000000, -0.0021675900000000 ] - [ -0.0000260800000000, -0.0003290500000000, -0.0000285300000000 ] - [ -0.0003062000000000, -0.0001504100000000, 0.0001784700000000 ] - [ 0.0026636000000000, -0.0017014400000000, -0.0046003600000000 ] - [ 0.0002110500000000, -0.0002426300000000, 0.0001764900000000 ] - [ -0.0007952600000000, -0.0003697300000000, -0.0000746600000000 ] - [ -0.0017067700000000, -0.0007410700000000, 0.0001487300000000 ] - [ -0.0004524900000000, -0.0002406300000000, 0.0000247900000000 ] - [ 0.0002946600000000, 0.0006622600000000, -0.0000475600000000 ] - [ 0.0007121400000000, 0.0013666600000000, -0.0003281500000000 ] - [ -0.0017260300000000, -0.0019506900000000, 0.0015290700000000 ] - [ 0.0020558200000000, -0.0003955500000000, 0.0003527800000000 ] - [ 0.0003021300000000, -0.0000388300000000, 0.0000333400000000 ] - [ 0.0023612500000000, -0.0015040400000000, 0.0016971100000000 ] - [ -0.0004055600000000, -0.0001663800000000, 0.0001169100000000 ] - [ 0.0028301500000000, 0.0001542500000000, 0.0005493600000000 ] - [ -0.0003385000000000, 0.0001410700000000, 0.0000130700000000 ] - [ 0.0002812100000000, 0.0008081400000000, -0.0000443100000000 ] - [ 0.0003202400000000, 0.0001475100000000, 0.0046580500000000 ] - [ 0.0002060400000000, 0.0000075500000000, -0.0001143400000000 ] - [ 0.0000109500000000, -0.0002464200000000, -0.0000829000000000 ] - [ 0.0002411300000000, -0.0000414200000000, -0.0000993900000000 ] - [ 0.0007570100000000, 0.0003334800000000, -0.0003690400000000 ] - [ -0.0000360600000000, -0.0000183300000000, 0.0004077300000000 ] - [ 0.0003362600000000, -0.0002065100000000, 0.0000247700000000 ] - [ -0.0002645200000000, -0.0003135200000000, 0.0000250000000000 ] - [ 0.0000706900000000, -0.0003560600000000, -0.0000335400000000 ] - [ -0.0005451800000000, 0.0004315800000000, 0.0000551500000000 ] - [ 0.0003689800000000, 0.0002136600000000, 0.0000558600000000 ] - [ 0.0001473200000000, -0.0001316200000000, -0.0003152000000000 ] - [ -0.0000793700000000, 0.0000850500000000, 0.0024719900000000 ] - [ 0.0000203300000000, 0.0000909200000000, 0.0011394800000000 ] - [ -0.0000583100000000, -0.0000495400000000, -0.0000439600000000 ] - [ 0.0000647000000000, -0.0000364600000000, 0.0000605500000000 ] - [ 0.0000698900000000, -0.0001471800000000, 0.0000290800000000 ] - [ -0.0005947200000000, -0.0001524400000000, -0.0025717400000000 ] - [ 0.0000365400000000, -0.0002579100000000, 0.0000412700000000 ] - [ -0.0000862700000000, 0.0000079100000000, 0.0009435100000000 ] - [ 0.0001040500000000, 0.0000949200000000, -0.0000269800000000 ] - [ -0.0001338500000000, 0.0001262800000000, -0.0001212700000000 ] - [ -0.0003742700000000, 0.0012084900000000, -0.0031073200000000 ] - [ -0.0001736100000000, 0.0000033100000000, 0.0000436400000000 ] - [ -0.0001741000000000, 0.0000589600000000, -0.0001533100000000 ] - [ -0.0000422600000000, -0.0001688000000000, 0.0001305800000000 ] - [ 0.0016406000000000, -0.0008828700000000, 0.0000976500000000 ] - [ 0.0000281200000000, 0.0003444000000000, 0.0001680100000000 ] - [ -0.0001565300000000, -0.0000427800000000, -0.0001868500000000 ] - [ -0.0002504400000000, -0.0000070700000000, 0.0000477700000000 ] - [ 0.0001622900000000, -0.0000082100000000, -0.0001984500000000 ] - [ -0.0002545100000000, -0.0001017000000000, -0.0000545200000000 ] - [ -0.0004332500000000, 0.0005643400000000, -0.0005126800000000 ] - [ -0.0020759900000000, 0.0018230500000000, 0.0004388800000000 ] - [ 0.0001745600000000, -0.0002409700000000, -0.0001692500000000 ] - [ -0.0000369200000000, -0.0001040600000000, -0.0000263600000000 ] - [ 0.0000863700000000, 0.0002942100000000, -0.0000666200000000 ] - [ -0.0000806700000000, -0.0029643700000000, 0.0017402100000000 ] - [ 0.0002043800000000, -0.0000936700000000, -0.0001427800000000 ] - [ -0.0009427700000000, 0.0001425400000000, -0.0002310700000000 ] - [ 0.0004882800000000, -0.0000221400000000, -0.0000358000000000 ] - [ -0.0002275000000000, -0.0002055800000000, -0.0001048100000000 ] - [ -0.0002051800000000, -0.0004913700000000, 0.0001470900000000 ] - [ -0.0003367900000000, 0.0007407800000000, 0.0000685500000000 ] - [ 0.0000619300000000, 0.0001483300000000, -0.0027702400000000 ] - [ -0.0005150700000000, -0.0021256200000000, -0.0005157700000000 ] - [ 0.0011604800000000, -0.0015479400000000, -0.0001476300000000 ] - [ -0.0002092700000000, 0.0002645700000000, 0.0001024200000000 ] - [ -0.0004531000000000, -0.0001282000000000, 0.0001468100000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0005252400000000, 0.0000050600000000, 0.0001177200000000 ] - [ -0.0197663900000000, -0.0000051700000000, 0.0000040300000000 ] - [ 0.0004571100000000, -0.0004481700000000, 0.0001859900000000 ] - [ 0.0005864600000000, -0.0010543800000000, 0.0002034700000000 ] - [ 0.0005607900000000, 0.0007588000000000, -0.0000526700000000 ] - [ -0.0004671600000000, 0.0000328800000000, 0.0001908000000000 ] - [ 0.0002095200000000, -0.0000537100000000, 0.0000536000000000 ] - [ 0.0005912000000000, -0.0000302500000000, 0.0001110300000000 ] - [ 0.0002018600000000, -0.0000022600000000, 0.0000536000000000 ] - [ 0.0005218100000000, 0.0004052600000000, 0.0002349600000000 ] - [ 0.0005624900000000, 0.0005679200000000, 0.0000069700000000 ] - [ 0.0002071200000000, 0.0000530600000000, 0.0000266700000000 ] - [ -0.0022415500000000, 0.0000004700000000, 0.0000624800000000 ] - [ 0.0000202900000000, 0.0002866300000000, 0.0001130000000000 ] - [ -0.0005257600000000, 0.0000666500000000, 0.0002675500000000 ] - [ 0.0008937700000000, 0.0006591600000000, 0.0002948600000000 ] - [ 0.0000368900000000, -0.0003248300000000, 0.0001096100000000 ] - [ 0.0000724200000000, 0.0002984400000000, 0.0001126100000000 ] - [ -0.0005287700000000, 0.0001465000000000, -0.0000267300000000 ] - [ 0.0000388600000000, -0.0002814500000000, 0.0001158300000000 ] - [ 0.0010364800000000, -0.0007200900000000, 0.0001315100000000 ] - [ 0.0002008600000000, 0.0000018100000000, 0.0000266600000000 ] - [ -0.0003990200000000, -0.0002210100000000, 0.0000652700000000 ] - [ 0.0002775900000000, -0.0004324900000000, -0.0000201700000000 ] - [ 0.0003573300000000, -0.0010670900000000, -0.0002806100000000 ] - [ -0.0002943400000000, -0.0002244800000000, -0.0000044900000000 ] - [ -0.0016725100000000, 0.0033129600000000, -0.0017486000000000 ] - [ 0.0005825100000000, 0.0008098200000000, -0.0003053000000000 ] - [ 0.0000893600000000, 0.0009733700000000, 0.0004350200000000 ] - [ 0.0081953600000000, -0.0012972000000000, 0.0069467800000000 ] - [ -0.0036571400000000, -0.0023416100000000, -0.0005221900000000 ] - [ 0.0002524100000000, 0.0010698800000000, 0.0005879500000000 ] - [ 0.0001288000000000, -0.0011528300000000, 0.0004332900000000 ] - [ 0.0005283500000000, 0.0008073300000000, -0.0001627400000000 ] - [ 0.0026818500000000, 0.0012599400000000, 0.0021220100000000 ] - [ 0.0006812100000000, -0.0005718000000000, 0.0000646200000000 ] - [ 0.0021599500000000, -0.0000905500000000, 0.0001815700000000 ] - [ -0.0021267800000000, 0.0072468400000000, -0.0036511300000000 ] - [ 0.0017605600000000, -0.0001548100000000, 0.0002793300000000 ] - [ -0.0000260700000000, -0.0006630300000000, -0.0000549100000000 ] - [ 0.0005057600000000, 0.0006108100000000, -0.0000718000000000 ] - [ -0.0005916400000000, 0.0001983400000000, -0.0002008700000000 ] - [ 0.0000201000000000, -0.0010465500000000, 0.0004880200000000 ] - [ -0.0019544500000000, -0.0051492300000000, -0.0035054400000000 ] - [ 0.0011058500000000, -0.0003591200000000, -0.0000308200000000 ] - [ 0.0004226300000000, 0.0001279500000000, -0.0002388500000000 ] - [ 0.0002641900000000, 0.0003048400000000, -0.0000264700000000 ] - [ 0.0015435500000000, -0.0000889900000000, -0.0003088500000000 ] - [ 0.0023382200000000, -0.0003017600000000, -0.0002632300000000 ] - [ 0.0008224500000000, -0.0003064600000000, 0.0003919600000000 ] - [ 0.0002538100000000, -0.0002875200000000, -0.0006277500000000 ] - [ 0.0011917700000000, -0.0001234800000000, 0.0004112100000000 ] - [ -0.0027429100000000, 0.0048207400000000, 0.0052106700000000 ] - [ 0.0033786000000000, 0.0000062800000000, -0.0033167100000000 ] - [ -0.0000349000000000, 0.0012126900000000, 0.0003343200000000 ] - [ 0.0013778000000000, 0.0003874400000000, -0.0006382000000000 ] - [ 0.0017583400000000, 0.0007107400000000, -0.0005065200000000 ] - [ 0.0074320200000000, 0.0001144300000000, -0.0078395600000000 ] - [ -0.0028962600000000, -0.0067955900000000, 0.0032054000000000 ] - [ 0.0009615200000000, -0.0012514600000000, 0.0002810700000000 ] - [ -0.0004024500000000, 0.0014686400000000, -0.0007351300000000 ] - [ -0.0003605900000000, -0.0012772100000000, -0.0005551800000000 ] - [ 0.0005395900000000, 0.0011410800000000, -0.0006423600000000 ] - [ -0.0004251900000000, 0.0002053100000000, -0.0006395900000000 ] - [ 0.0005286000000000, -0.0008118600000000, -0.0006286300000000 ] - [ -0.0045265000000000, 0.0037348800000000, 0.0026302200000000 ] - [ 0.0006731000000000, 0.0006419200000000, -0.0006613800000000 ] - [ 0.0014982400000000, 0.0002293800000000, 0.0003015100000000 ] - [ 0.0005715600000000, -0.0006419200000000, -0.0007057400000000 ] - [ -0.0000011600000000, 0.0008582200000000, -0.0006155600000000 ] - [ -0.0008422300000000, -0.0007874200000000, 0.0002948800000000 ] - [ -0.0026180500000000, -0.0045618500000000, 0.0011941800000000 ] - [ 0.0013726500000000, -0.0008705900000000, 0.0000611400000000 ] - [ 0.0006384200000000, -0.0004547900000000, 0.0002227300000000 ] - [ 0.0005850100000000, 0.0006800700000000, 0.0000658800000000 ] - [ -0.0003767800000000, -0.0011674400000000, 0.0003477600000000 ] - [ 0.0005302300000000, -0.0012854600000000, 0.0019296900000000 ] - [ -0.0010277300000000, 0.0000641600000000, -0.0001932500000000 ] - [ -0.0003938700000000, -0.0000313000000000, -0.0000945200000000 ] - [ -0.0013486100000000, -0.0001069400000000, 0.0001938600000000 ] - [ -0.0005751800000000, 0.0004964900000000, -0.0000595600000000 ] - [ -0.0007856400000000, 0.0003433500000000, 0.0006832400000000 ] - [ 0.0000826400000000, -0.0001718300000000, -0.0000931700000000 ] - [ -0.0010434600000000, 0.0003370900000000, -0.0003856000000000 ] - [ -0.0027018700000000, 0.0004900700000000, 0.0008864000000000 ] - [ -0.0017485200000000, 0.0003603400000000, -0.0002586900000000 ] - [ -0.0002479900000000, -0.0000060300000000, -0.0001917900000000 ] - [ -0.0000764300000000, -0.0003154100000000, -0.0000280500000000 ] - [ -0.0008419000000000, -0.0001638500000000, -0.0000398700000000 ] - [ -0.0001851700000000, -0.0001137800000000, -0.0002130000000000 ] - [ 0.0014580100000000, 0.0028370400000000, -0.0025047500000000 ] - [ -0.0002670200000000, -0.0006435500000000, 0.0000782700000000 ] - [ 0.0009489900000000, -0.0011728900000000, -0.0001166800000000 ] - [ 0.0048169200000000, -0.0000393700000000, -0.0009764900000000 ] - [ 0.0000956900000000, -0.0001955300000000, 0.0007997900000000 ] - [ 0.0023433200000000, 0.0011436200000000, -0.0001795400000000 ] - [ -0.0000475100000000, 0.0001471600000000, -0.0001482900000000 ] - [ -0.0020281600000000, -0.0005851500000000, 0.0009812000000000 ] - [ -0.0007073700000000, -0.0003716300000000, -0.0003319000000000 ] - [ 0.0001647400000000, 0.0011479600000000, -0.0002723700000000 ] - [ 0.0000843100000000, -0.0002042800000000, -0.0000580700000000 ] - [ -0.0008083600000000, 0.0009159600000000, -0.0000103200000000 ] - [ 0.0012670300000000, 0.0005865500000000, -0.0004750300000000 ] - [ 0.0005071200000000, -0.0029684100000000, -0.0007634700000000 ] - [ -0.0011500100000000, -0.0007302000000000, 0.0000138200000000 ] - [ 0.0000460600000000, -0.0006737000000000, 0.0001906700000000 ] - [ -0.0002899500000000, 0.0010192700000000, -0.0003700600000000 ] - [ -0.0010421300000000, 0.0002871200000000, 0.0001660300000000 ] - [ -0.0000148600000000, 0.0005489100000000, 0.0001013700000000 ] - [ -0.0005768300000000, 0.0002292300000000, -0.0002265100000000 ] - [ -0.0000637500000000, 0.0005199200000000, -0.0001755000000000 ] - [ -0.0007684600000000, 0.0008611700000000, 0.0000247600000000 ] - [ -0.0018874600000000, -0.0004064300000000, -0.0005674500000000 ] - [ 0.0005251100000000, 0.0004942200000000, 0.0000466100000000 ] - [ -0.0012207500000000, -0.0003470900000000, 0.0000627200000000 ] - [ -0.0000685600000000, -0.0007776600000000, 0.0000540600000000 ] - [ -0.0009564100000000, -0.0000493400000000, 0.0002067200000000 ] - [ 0.0022187300000000, -0.0013899800000000, 0.0011683500000000 ] - [ 0.0001050300000000, 0.0001063500000000, -0.0000907500000000 ] - [ -0.0004287400000000, -0.0002397400000000, 0.0007818300000000 ] - [ 0.0037640700000000, 0.0001708200000000, 0.0005488500000000 ] - [ -0.0002367700000000, -0.0005661800000000, 0.0000848300000000 ] - [ -0.0004783600000000, -0.0030098600000000, -0.0029882600000000 ] - [ 0.0007731700000000, 0.0004300600000000, -0.0003870700000000 ] - [ -0.0001594700000000, 0.0001805100000000, 0.0007791100000000 ] - [ 0.0004650800000000, -0.0017350700000000, 0.0002750300000000 ] - [ -0.0004274500000000, -0.0008073300000000, 0.0000834800000000 ] - [ 0.0002118800000000, -0.0008876900000000, 0.0000071900000000 ] - [ -0.0005322700000000, -0.0000920800000000, 0.0001246600000000 ] - [ 0.0007143100000000, 0.0012021300000000, 0.0003415300000000 ] - [ 0.0002044000000000, 0.0000044700000000, -0.0002321600000000 ] - [ -0.0003432500000000, 0.0003014000000000, -0.0002163200000000 ] - [ -0.0001366400000000, 0.0002976600000000, 0.0008305300000000 ] - [ 0.0042309600000000, -0.0001706700000000, 0.0004931100000000 ] - [ -0.0001650700000000, -0.0003941200000000, -0.0000698800000000 ] - [ -0.0000199900000000, -0.0008220900000000, -0.0000185700000000 ] - [ -0.0006403700000000, 0.0001203800000000, -0.0001996900000000 ] - [ -0.0001562700000000, 0.0003619200000000, -0.0000623700000000 ] - [ -0.0000559400000000, -0.0002672600000000, 0.0008161300000000 ] - [ -0.0004215200000000, -0.0002229900000000, -0.0000832800000000 ] - [ -0.0000785800000000, 0.0003210800000000, -0.0002004200000000 ] - [ -0.0008859800000000, -0.0000585600000000, -0.0001318300000000 ] - [ -0.0002633500000000, 0.0005171000000000, 0.0000304500000000 ] - [ 0.0030111500000000, 0.0001993200000000, -0.0009656500000000 ] - [ -0.0003267400000000, -0.0004741000000000, -0.0002287600000000 ] - [ -0.0004969400000000, -0.0006738900000000, 0.0000819800000000 ] - [ 0.0020081500000000, 0.0024817000000000, 0.0001515900000000 ] - [ 0.0003706100000000, 0.0021577900000000, 0.0017444500000000 ] - [ -0.0000298900000000, 0.0006170600000000, 0.0000254400000000 ] - [ 0.0001793700000000, 0.0003991300000000, -0.0001134700000000 ] - [ 0.0003013100000000, -0.0012687300000000, -0.0008219400000000 ] - [ -0.0004713800000000, -0.0004130500000000, -0.0001776700000000 ] - [ -0.0005300800000000, -0.0001580900000000, -0.0000197000000000 ] - [ 0.0001584200000000, -0.0015750200000000, -0.0011981400000000 ] - [ -0.0002218800000000, 0.0004278700000000, 0.0000706900000000 ] - [ -0.0001001900000000, 0.0019187900000000, -0.0003645900000000 ] - [ -0.0010196000000000, -0.0000059300000000, 0.0001559800000000 ] - [ 0.0003279400000000, -0.0001894200000000, -0.0001807000000000 ] - [ -0.0020852300000000, -0.0001295500000000, 0.0001895900000000 ] - [ 0.0000595400000000, 0.0002246800000000, -0.0000279000000000 ] - [ -0.0014272600000000, 0.0018744500000000, 0.0020369100000000 ] - [ -0.0002659200000000, 0.0000054100000000, 0.0001050100000000 ] - [ -0.0005337400000000, 0.0008679100000000, 0.0001187400000000 ] - [ -0.0005146000000000, -0.0000431200000000, 0.0008497500000000 ] - [ -0.0003355100000000, -0.0005259200000000, -0.0002970500000000 ] - [ 0.0003870700000000, -0.0006601500000000, -0.0003674500000000 ] - [ -0.0001242900000000, 0.0008490400000000, 0.0002544900000000 ] - [ -0.0002977600000000, 0.0004776300000000, 0.0002171000000000 ]- atom: 2 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0005724700000000, 0.0000278600000000, 0.0001093100000000 ] - [ 0.0200248900000000, -0.0000048700000000, 0.0000039000000000 ] - [ -0.0003460000000000, 0.0005952200000000, 0.0002717000000000 ] - [ -0.0007003000000000, 0.0009102000000000, 0.0002549500000000 ] - [ -0.0008561100000000, -0.0009675000000000, 0.0000869100000000 ] - [ 0.0006539300000000, -0.0000523700000000, 0.0002690000000000 ] - [ -0.0002092700000000, 0.0000552600000000, 0.0000535800000000 ] - [ -0.0005442100000000, -0.0000025500000000, 0.0001160200000000 ] - [ -0.0002023200000000, 0.0000005800000000, 0.0000536200000000 ] - [ -0.0004483000000000, -0.0005754800000000, 0.0002244600000000 ] - [ -0.0002705200000000, -0.0003619000000000, 0.0000271200000000 ] - [ -0.0002061200000000, -0.0000526900000000, 0.0000266400000000 ] - [ 0.0022426300000000, 0.0000004600000000, 0.0000624800000000 ] - [ -0.0000714000000000, -0.0003100300000000, 0.0001136000000000 ] - [ 0.0003401500000000, -0.0000466700000000, 0.0001923900000000 ] - [ -0.0009645400000000, -0.0004859400000000, 0.0001651200000000 ] - [ -0.0000418200000000, 0.0002687100000000, 0.0001166100000000 ] - [ -0.0000215600000000, -0.0002758900000000, 0.0001140300000000 ] - [ 0.0004966300000000, 0.0002081700000000, 0.0000606400000000 ] - [ -0.0000338900000000, 0.0003379300000000, 0.0001103000000000 ] - [ -0.0007075300000000, 0.0005630100000000, -0.0000953900000000 ] - [ -0.0002019700000000, -0.0000023600000000, 0.0000266000000000 ] - [ 0.0004320800000000, -0.0001348200000000, -0.0000310000000000 ] - [ -0.0006031600000000, 0.0005868200000000, 0.0000561800000000 ] - [ -0.0004944600000000, -0.0002133800000000, -0.0002200200000000 ] - [ 0.0000281900000000, 0.0005806000000000, -0.0000412700000000 ] - [ 0.0029831500000000, -0.0044116100000000, 0.0016434000000000 ] - [ 0.0005868900000000, -0.0002795600000000, -0.0001933600000000 ] - [ -0.0001042900000000, -0.0009281100000000, 0.0003673500000000 ] - [ -0.0086023900000000, -0.0003536600000000, -0.0071495400000000 ] - [ 0.0020826200000000, 0.0017728900000000, 0.0004159500000000 ] - [ -0.0002382200000000, -0.0011172000000000, 0.0002142800000000 ] - [ -0.0001805400000000, 0.0011671400000000, 0.0003701100000000 ] - [ -0.0015781200000000, -0.0000519800000000, -0.0003353200000000 ] - [ -0.0023733600000000, 0.0003937700000000, -0.0022082900000000 ] - [ -0.0011139100000000, 0.0005105600000000, -0.0001066400000000 ] - [ -0.0021434300000000, 0.0001328700000000, 0.0006183800000000 ] - [ 0.0007977600000000, -0.0061316800000000, 0.0035341700000000 ] - [ -0.0017790400000000, 0.0001124100000000, 0.0005193700000000 ] - [ 0.0002925400000000, 0.0003076900000000, 0.0000092000000000 ] - [ -0.0003291700000000, -0.0001932000000000, 0.0000353000000000 ] - [ -0.0005777300000000, -0.0007294500000000, -0.0002978700000000 ] - [ 0.0000316000000000, 0.0010339900000000, 0.0003156100000000 ] - [ 0.0035126800000000, 0.0057122700000000, 0.0034047800000000 ] - [ -0.0006732800000000, 0.0004204500000000, -0.0000107200000000 ] - [ -0.0002856900000000, 0.0011527000000000, -0.0002616900000000 ] - [ -0.0004420200000000, -0.0007229400000000, -0.0000098400000000 ] - [ -0.0004945900000000, -0.0006659500000000, -0.0001890300000000 ] - [ -0.0020719800000000, -0.0007329200000000, -0.0008729800000000 ] - [ 0.0008419000000000, 0.0006827800000000, 0.0002820900000000 ] - [ -0.0004713100000000, 0.0009193300000000, -0.0006465100000000 ] - [ -0.0000225200000000, -0.0011189200000000, 0.0002585100000000 ] - [ 0.0033643000000000, -0.0053612100000000, -0.0048442300000000 ] - [ -0.0035317300000000, -0.0008220700000000, 0.0036281600000000 ] - [ -0.0011360600000000, 0.0000288300000000, 0.0003353100000000 ] - [ -0.0006614900000000, -0.0005036400000000, -0.0006280900000000 ] - [ -0.0020262200000000, 0.0003240300000000, -0.0006284900000000 ] - [ -0.0073529400000000, 0.0007059500000000, 0.0082838300000000 ] - [ 0.0020953100000000, 0.0065015100000000, -0.0028625000000000 ] - [ -0.0014612500000000, -0.0003783000000000, 0.0003899400000000 ] - [ -0.0006553300000000, -0.0011904300000000, -0.0004020400000000 ] - [ -0.0003798800000000, 0.0005061500000000, -0.0005805800000000 ] - [ 0.0005170800000000, -0.0014212100000000, -0.0004949300000000 ] - [ 0.0000094700000000, -0.0007748800000000, -0.0006309400000000 ] - [ -0.0003114400000000, 0.0001801100000000, -0.0006456500000000 ] - [ 0.0039047900000000, -0.0031825300000000, -0.0022782500000000 ] - [ -0.0013908200000000, -0.0005259500000000, -0.0006046300000000 ] - [ -0.0009992200000000, 0.0014007100000000, 0.0003700400000000 ] - [ 0.0001694800000000, 0.0014133000000000, -0.0004290400000000 ] - [ 0.0004173300000000, -0.0002896400000000, -0.0006552700000000 ] - [ -0.0008216400000000, 0.0004117500000000, 0.0003790400000000 ] - [ 0.0034157300000000, 0.0048514100000000, -0.0008420100000000 ] - [ -0.0007640800000000, 0.0011680500000000, 0.0001192200000000 ] - [ 0.0000895300000000, 0.0008083800000000, 0.0000399600000000 ] - [ 0.0002774400000000, -0.0004218700000000, 0.0001990300000000 ] - [ -0.0004044300000000, 0.0016278300000000, -0.0002687800000000 ] - [ -0.0003179500000000, 0.0011343600000000, -0.0019904800000000 ] - [ 0.0012136900000000, 0.0002178500000000, 0.0000735800000000 ] - [ 0.0004563000000000, 0.0005236100000000, -0.0002423300000000 ] - [ 0.0002550500000000, 0.0000697000000000, -0.0001956100000000 ] - [ -0.0001369300000000, -0.0002457100000000, 0.0000076500000000 ] - [ 0.0002231500000000, 0.0000420900000000, -0.0005008600000000 ] - [ 0.0005345300000000, -0.0008063200000000, 0.0001137500000000 ] - [ -0.0003532000000000, 0.0005587100000000, -0.0003282200000000 ] - [ 0.0031717600000000, -0.0008689100000000, -0.0007007000000000 ] - [ 0.0017363900000000, 0.0005512500000000, 0.0003335300000000 ] - [ 0.0013418900000000, 0.0000437700000000, 0.0001902400000000 ] - [ -0.0000809500000000, 0.0006172000000000, -0.0000922500000000 ] - [ 0.0006569000000000, -0.0001183200000000, -0.0000804100000000 ] - [ 0.0002750900000000, 0.0004830600000000, -0.0002170700000000 ] - [ -0.0014498000000000, -0.0026133800000000, 0.0024535500000000 ] - [ 0.0004899400000000, 0.0001474700000000, 0.0000091200000000 ] - [ -0.0004213000000000, 0.0013504200000000, -0.0000164600000000 ] - [ -0.0045906100000000, 0.0001041600000000, 0.0009320300000000 ] - [ 0.0000593700000000, 0.0002234100000000, 0.0008182800000000 ] - [ -0.0023124100000000, -0.0014095600000000, 0.0002225700000000 ] - [ -0.0003389200000000, 0.0001482300000000, -0.0001821700000000 ] - [ 0.0024579100000000, 0.0002086800000000, -0.0011202400000000 ] - [ -0.0007636200000000, -0.0003858600000000, -0.0003798300000000 ] - [ -0.0002835800000000, -0.0017007700000000, 0.0001348700000000 ] - [ -0.0002005500000000, 0.0009226100000000, 0.0000158600000000 ] - [ 0.0010225900000000, -0.0000433500000000, 0.0002777700000000 ] - [ -0.0013233600000000, -0.0012687600000000, 0.0006508700000000 ] - [ -0.0010705600000000, 0.0027081800000000, 0.0009445400000000 ] - [ 0.0005857300000000, 0.0002445600000000, -0.0000633800000000 ] - [ 0.0006089400000000, 0.0000564900000000, 0.0000723500000000 ] - [ 0.0003715900000000, 0.0006369000000000, -0.0003446000000000 ] - [ 0.0007306000000000, -0.0007357200000000, -0.0000811700000000 ] - [ -0.0007886800000000, -0.0009944500000000, -0.0000186900000000 ] - [ 0.0001215800000000, -0.0004217700000000, -0.0001094900000000 ] - [ 0.0005191300000000, -0.0003275800000000, -0.0001604600000000 ] - [ 0.0010802400000000, -0.0004125600000000, 0.0000591800000000 ] - [ 0.0019010500000000, -0.0005057000000000, 0.0006502700000000 ] - [ 0.0000195100000000, -0.0005433500000000, 0.0000395000000000 ] - [ 0.0005547700000000, 0.0007880500000000, 0.0001961800000000 ] - [ -0.0006595900000000, 0.0004259100000000, 0.0002087800000000 ] - [ 0.0007426600000000, -0.0008217400000000, 0.0000599500000000 ] - [ -0.0024772200000000, 0.0015200100000000, -0.0011424700000000 ] - [ 0.0004304300000000, 0.0008748600000000, 0.0000918400000000 ] - [ 0.0005385900000000, 0.0001132700000000, 0.0008423300000000 ] - [ -0.0034239500000000, -0.0002236700000000, -0.0008244200000000 ] - [ 0.0001693100000000, 0.0004554000000000, -0.0000695000000000 ] - [ 0.0003689200000000, 0.0033218200000000, 0.0027204100000000 ] - [ 0.0006966000000000, 0.0003270100000000, -0.0003246500000000 ] - [ 0.0001041600000000, -0.0003314800000000, 0.0008359300000000 ] - [ 0.0003187100000000, 0.0012767800000000, -0.0001970400000000 ] - [ -0.0001072000000000, -0.0001743200000000, -0.0000819800000000 ] - [ -0.0000945100000000, 0.0001709200000000, -0.0000497000000000 ] - [ -0.0001219300000000, 0.0007084800000000, 0.0001383100000000 ] - [ 0.0000879600000000, -0.0007547700000000, -0.0002596100000000 ] - [ 0.0000739300000000, -0.0002668900000000, -0.0001998000000000 ] - [ 0.0007081200000000, -0.0001930900000000, -0.0002116900000000 ] - [ 0.0001918500000000, -0.0001471300000000, 0.0007842000000000 ] - [ -0.0044627900000000, 0.0000976200000000, -0.0005450100000000 ] - [ 0.0002332600000000, 0.0005051100000000, 0.0000853600000000 ] - [ 0.0001780500000000, 0.0005213400000000, -0.0001018100000000 ] - [ 0.0002762900000000, -0.0002284900000000, -0.0002280800000000 ] - [ 0.0002301400000000, -0.0004879400000000, 0.0000786200000000 ] - [ -0.0000988000000000, 0.0002400100000000, 0.0008018900000000 ] - [ 0.0001994700000000, 0.0007199100000000, 0.0001709700000000 ] - [ -0.0002002800000000, -0.0000591300000000, -0.0002318600000000 ] - [ 0.0010185700000000, 0.0000558100000000, 0.0001474400000000 ] - [ -0.0000739600000000, -0.0005039500000000, -0.0001529800000000 ] - [ -0.0033567300000000, -0.0001379900000000, 0.0007038700000000 ] - [ 0.0002370500000000, 0.0001043400000000, -0.0002020100000000 ] - [ 0.0011642300000000, 0.0002331900000000, 0.0001765000000000 ] - [ -0.0019365100000000, -0.0018135400000000, 0.0000307600000000 ] - [ -0.0001634300000000, -0.0019147500000000, -0.0020302900000000 ] - [ -0.0005151200000000, -0.0005696100000000, 0.0000601400000000 ] - [ 0.0001582000000000, -0.0004136700000000, -0.0000086000000000 ] - [ -0.0008295200000000, 0.0010950500000000, 0.0006881800000000 ] - [ 0.0004092600000000, -0.0000790600000000, -0.0001586900000000 ] - [ 0.0010953200000000, 0.0006448400000000, -0.0000301200000000 ] - [ -0.0000576000000000, 0.0012723700000000, 0.0009070400000000 ] - [ 0.0001477700000000, -0.0003018600000000, -0.0000541400000000 ] - [ 0.0002180200000000, -0.0013669800000000, 0.0002266300000000 ] - [ 0.0008874900000000, 0.0000083800000000, -0.0001401800000000 ] - [ 0.0000578200000000, -0.0001060500000000, -0.0001498300000000 ] - [ 0.0016581400000000, 0.0005062600000000, -0.0003179900000000 ] - [ 0.0006530800000000, -0.0004743800000000, -0.0000247600000000 ] - [ 0.0012273700000000, -0.0021160300000000, -0.0022985300000000 ] - [ 0.0002364800000000, -0.0008084800000000, 0.0001544000000000 ] - [ -0.0000837800000000, 0.0001098700000000, -0.0000977500000000 ] - [ 0.0004052200000000, 0.0001700400000000, 0.0007743900000000 ] - [ 0.0002526500000000, -0.0011307000000000, -0.0004168500000000 ] - [ 0.0010085100000000, -0.0002367200000000, -0.0003449200000000 ] - [ 0.0001539400000000, -0.0000460800000000, 0.0000053000000000 ] - [ -0.0005639400000000, -0.0007351400000000, 0.0000474200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000321300000000, 0.0000119300000000, 0.0001749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0194571300000000 ] - [ 0.0000870200000000, 0.0001138600000000, 0.0006157200000000 ] - [ -0.0000352500000000, -0.0000268000000000, -0.0001207500000000 ] - [ -0.0001453200000000, -0.0001474300000000, -0.0004525000000000 ] - [ 0.0000408400000000, -0.0000171300000000, -0.0001207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000250200000000 ] - [ 0.0000131600000000, -0.0000208300000000, 0.0000510200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000836500000000 ] - [ 0.0000551000000000, -0.0001322900000000, 0.0006157200000000 ] - [ 0.0001387500000000, 0.0000481500000000, 0.0004240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000040100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051628500000000 ] - [ -0.0000246200000000, -0.0000009800000000, 0.0000510200000000 ] - [ -0.0001421200000000, 0.0000184300000000, 0.0006157200000000 ] - [ -0.0000055900000000, 0.0000439300000000, -0.0001207500000000 ] - [ 0.0000057300000000, -0.0000337900000000, 0.0001749700000000 ] - [ 0.0000264000000000, 0.0000218500000000, 0.0001749700000000 ] - [ -0.0000550200000000, 0.0001995600000000, -0.0004525000000000 ] - [ 0.0000114600000000, 0.0000218100000000, 0.0000510200000000 ] - [ 0.0002003300000000, -0.0000521400000000, -0.0004525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000567500000000 ] - [ -0.0000276800000000, -0.0001442400000000, 0.0004240300000000 ] - [ -0.0001110700000000, 0.0000960900000000, 0.0004240300000000 ] - [ -0.0001178200000000, -0.0006029800000000, -0.0003374000000000 ] - [ -0.0000855800000000, 0.0002335000000000, 0.0000624400000000 ] - [ -0.0007724700000000, -0.0037648000000000, 0.0032896800000000 ] - [ 0.0005811000000000, 0.0001994500000000, -0.0003374000000000 ] - [ 0.0003890200000000, 0.0005639900000000, 0.0007795900000000 ] - [ 0.0066510800000000, -0.0012114800000000, -0.0016342900000000 ] - [ -0.0028741800000000, 0.0025513800000000, 0.0032896800000000 ] - [ 0.0004026400000000, 0.0004892100000000, 0.0000542400000000 ] - [ 0.0002223400000000, -0.0005933000000000, 0.0000542400000000 ] - [ -0.0004632800000000, 0.0004035200000000, -0.0003374000000000 ] - [ 0.0036466500000000, 0.0012134200000000, 0.0032896800000000 ] - [ -0.0001985800000000, -0.0000880400000000, -0.0001027000000000 ] - [ -0.0006249900000000, 0.0001041000000000, 0.0000542400000000 ] - [ -0.0043747100000000, -0.0051542600000000, -0.0016342900000000 ] - [ -0.0006829400000000, 0.0000549100000000, 0.0007795900000000 ] - [ 0.0001755300000000, -0.0001279500000000, -0.0001027000000000 ] - [ 0.0000230500000000, 0.0002159900000000, -0.0001027000000000 ] - [ -0.0005884900000000, -0.0003306100000000, -0.0001635100000000 ] - [ 0.0002939200000000, -0.0006189000000000, 0.0007795900000000 ] - [ -0.0022763700000000, 0.0063657400000000, -0.0016342900000000 ] - [ 0.0002450100000000, -0.0000426400000000, 0.0000624400000000 ] - [ 0.0000079300000000, 0.0006749500000000, -0.0001635100000000 ] - [ -0.0001594300000000, -0.0001908600000000, 0.0000624400000000 ] - [ 0.0005805600000000, -0.0003443400000000, -0.0001635100000000 ] - [ 0.0007017500000000, -0.0004743400000000, -0.0010050000000000 ] - [ 0.0007792900000000, 0.0000438800000000, 0.0004634800000000 ] - [ -0.0000037800000000, 0.0003181700000000, -0.0005346500000000 ] - [ 0.0007199200000000, -0.0005989000000000, 0.0002206600000000 ] - [ 0.0059148900000000, 0.0053122200000000, -0.0004286100000000 ] - [ -0.0048671400000000, 0.0010070900000000, 0.0034580700000000 ] - [ -0.0004276400000000, 0.0006529400000000, 0.0004634800000000 ] - [ 0.0002774300000000, -0.0001558200000000, -0.0005346500000000 ] - [ 0.0004775900000000, 0.0005996600000000, -0.0001240500000000 ] - [ -0.0075579600000000, 0.0024663400000000, -0.0004286100000000 ] - [ 0.0016430700000000, -0.0077785500000000, -0.0004286100000000 ] - [ -0.0003516400000000, -0.0006968200000000, 0.0004634800000000 ] - [ -0.0007616700000000, -0.0003705600000000, -0.0010050000000000 ] - [ -0.0007581200000000, 0.0001137800000000, -0.0001240500000000 ] - [ 0.0002805200000000, -0.0007134400000000, -0.0001240500000000 ] - [ -0.0002736600000000, -0.0001623600000000, -0.0005346500000000 ] - [ 0.0002485200000000, -0.0003312400000000, -0.0007350100000000 ] - [ 0.0033057300000000, 0.0037115200000000, 0.0034580700000000 ] - [ -0.0004111200000000, -0.0000496000000000, -0.0007350100000000 ] - [ 0.0001587000000000, 0.0009229200000000, 0.0002206600000000 ] - [ 0.0000599200000000, 0.0008449000000000, -0.0010050000000000 ] - [ 0.0001626100000000, 0.0003808400000000, -0.0007350100000000 ] - [ -0.0008786200000000, -0.0003240200000000, 0.0002206600000000 ] - [ 0.0015614100000000, -0.0047186100000000, 0.0034580700000000 ] - [ -0.0001506900000000, 0.0002090500000000, -0.0027668500000000 ] - [ 0.0003795800000000, 0.0003706600000000, 0.0001698600000000 ] - [ 0.0004564600000000, -0.0000568500000000, 0.0000899600000000 ] - [ 0.0001719000000000, 0.0011105700000000, 0.0002601400000000 ] - [ 0.0027836700000000, 0.0005856600000000, -0.0010389800000000 ] - [ 0.0001330600000000, 0.0001332800000000, 0.0003987100000000 ] - [ 0.0000557600000000, 0.0002735400000000, -0.0001415000000000 ] - [ -0.0005461700000000, 0.0000184000000000, -0.0000070600000000 ] - [ -0.0005294000000000, 0.0002338200000000, -0.0000572900000000 ] - [ -0.0001057000000000, -0.0002350200000000, -0.0027668500000000 ] - [ 0.0002571500000000, -0.0004822000000000, -0.0000070600000000 ] - [ -0.0007410600000000, 0.0004427500000000, -0.0003643900000000 ] - [ 0.0006947700000000, -0.0005349800000000, 0.0039830600000000 ] - [ -0.0011487100000000, 0.0003970800000000, -0.0001560200000000 ] - [ 0.0005776400000000, 0.0000533300000000, 0.0000136500000000 ] - [ -0.0001019700000000, 0.0001481500000000, -0.0005441600000000 ] - [ -0.0000773200000000, -0.0001623900000000, -0.0005441600000000 ] - [ 0.0000305400000000, 0.0001829400000000, -0.0003296300000000 ] - [ -0.0018990300000000, 0.0021179000000000, -0.0010389800000000 ] - [ -0.0001258200000000, -0.0003434700000000, 0.0000822300000000 ] - [ -0.0005248600000000, -0.0012609000000000, -0.0001976500000000 ] - [ -0.0003095000000000, -0.0007307000000000, 0.0014095700000000 ] - [ 0.0000853300000000, 0.0000047700000000, 0.0007089500000000 ] - [ -0.0004780500000000, 0.0006333900000000, 0.0014095700000000 ] - [ -0.0001815300000000, 0.0001107400000000, -0.0001897500000000 ] - [ 0.0018421200000000, -0.0003713400000000, 0.0000397300000000 ] - [ -0.0007169500000000, -0.0003359500000000, -0.0003496600000000 ] - [ -0.0008295400000000, 0.0010849900000000, -0.0001976500000000 ] - [ -0.0000682500000000, 0.0001583600000000, 0.0000061700000000 ] - [ -0.0000526800000000, 0.0004996000000000, 0.0001768300000000 ] - [ 0.0002563800000000, 0.0000259800000000, -0.0027668500000000 ] - [ -0.0008107000000000, -0.0003342000000000, 0.0039830600000000 ] - [ -0.0001030200000000, -0.0001382800000000, 0.0000061700000000 ] - [ 0.0004590000000000, -0.0002041700000000, 0.0001768300000000 ] - [ 0.0000675400000000, 0.0007888700000000, -0.0003496600000000 ] - [ 0.0000663500000000, -0.0003788100000000, -0.0000042200000000 ] - [ 0.0002304800000000, -0.0011933500000000, -0.0001560200000000 ] - [ -0.0002647700000000, -0.0000884800000000, -0.0001415000000000 ] - [ 0.0001866700000000, 0.0001018400000000, -0.0001897500000000 ] - [ 0.0003603700000000, 0.0000627800000000, 0.0000822300000000 ] - [ -0.0010477300000000, -0.0004064200000000, 0.0002601400000000 ] - [ 0.0002948800000000, 0.0002468600000000, -0.0000042200000000 ] - [ -0.0005107900000000, 0.0001434000000000, 0.0001698600000000 ] - [ -0.0003569500000000, 0.0000267800000000, 0.0000885800000000 ] - [ -0.0002774600000000, -0.0003668800000000, 0.0000899600000000 ] - [ 0.0007875500000000, 0.0000973100000000, 0.0014095700000000 ] - [ 0.0002890200000000, 0.0004638000000000, -0.0000070600000000 ] - [ 0.0000583400000000, -0.0000494100000000, 0.0009103500000000 ] - [ 0.0001832800000000, 0.0025688100000000, -0.0003058100000000 ] - [ -0.0000642200000000, -0.0000754700000000, -0.0000107000000000 ] - [ -0.0023162900000000, -0.0011256800000000, -0.0003058100000000 ] - [ 0.0007539600000000, 0.0004204000000000, -0.0003643900000000 ] - [ -0.0000385300000000, -0.0000762800000000, 0.0007089500000000 ] - [ 0.0009182400000000, 0.0007962700000000, -0.0001560200000000 ] - [ -0.0002426400000000, -0.0005269100000000, 0.0000136500000000 ] - [ 0.0000622000000000, -0.0005753800000000, -0.0000572900000000 ] - [ -0.0001789900000000, 0.0004237300000000, 0.0000899600000000 ] - [ 0.0008758300000000, -0.0007041500000000, 0.0002601400000000 ] - [ 0.0001431600000000, -0.0001179200000000, -0.0003296300000000 ] - [ 0.0001924800000000, 0.0000425800000000, -0.0001076200000000 ] - [ 0.0000136200000000, 0.0000752300000000, 0.0009103500000000 ] - [ -0.0008846400000000, -0.0027035600000000, -0.0010389800000000 ] - [ 0.0000083200000000, 0.0000463900000000, 0.0000251900000000 ] - [ 0.0000489000000000, -0.0001818700000000, 0.0003987100000000 ] - [ -0.0001737000000000, -0.0000650200000000, -0.0003296300000000 ] - [ 0.0000360100000000, -0.0000304000000000, 0.0000251900000000 ] - [ -0.0000719600000000, -0.0000258200000000, 0.0009103500000000 ] - [ -0.0003612300000000, 0.0001319400000000, -0.0000042200000000 ] - [ -0.0001331100000000, 0.0001454000000000, -0.0001076200000000 ] - [ 0.0000974700000000, -0.0000178800000000, -0.0000107000000000 ] - [ -0.0001819500000000, 0.0000485900000000, 0.0003987100000000 ] - [ 0.0000062800000000, 0.0018824100000000, -0.0010361700000000 ] - [ -0.0000593700000000, -0.0001879800000000, -0.0001076200000000 ] - [ 0.0001552900000000, -0.0003225200000000, 0.0000885800000000 ] - [ 0.0001159200000000, 0.0008691800000000, 0.0039830600000000 ] - [ 0.0016270700000000, -0.0009466400000000, -0.0010361700000000 ] - [ -0.0002345500000000, 0.0002807000000000, 0.0000822300000000 ] - [ 0.0001792900000000, 0.0000142300000000, -0.0005441600000000 ] - [ -0.0012426500000000, -0.0014096500000000, 0.0000397300000000 ] - [ -0.0000051400000000, -0.0002125900000000, -0.0001897500000000 ] - [ 0.0004672000000000, 0.0003415600000000, -0.0000572900000000 ] - [ -0.0016333500000000, -0.0009357700000000, -0.0010361700000000 ] - [ -0.0000332500000000, 0.0000933500000000, -0.0000107000000000 ] - [ -0.0005994700000000, 0.0017810000000000, 0.0000397300000000 ] - [ -0.0000443300000000, -0.0000159800000000, 0.0000251900000000 ] - [ 0.0002090100000000, -0.0001850600000000, -0.0001415000000000 ] - [ 0.0013544000000000, 0.0001759100000000, -0.0001976500000000 ] - [ 0.0001712700000000, -0.0000200700000000, 0.0000061700000000 ] - [ 0.0021330100000000, -0.0014431300000000, -0.0003058100000000 ] - [ 0.0001312100000000, -0.0005140600000000, 0.0001698600000000 ] - [ -0.0003350000000000, 0.0004735900000000, 0.0000136500000000 ] - [ -0.0000468000000000, 0.0000715100000000, 0.0007089500000000 ] - [ -0.0000129000000000, -0.0008631500000000, -0.0003643900000000 ] - [ 0.0006494100000000, -0.0004529200000000, -0.0003496600000000 ] - [ 0.0002016700000000, 0.0002957400000000, 0.0000885800000000 ] - [ -0.0004063200000000, -0.0002954200000000, 0.0001768300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000134400000000, 0.0000208300000000, 0.0000518100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0193880200000000 ] - [ 0.0000239700000000, 0.0000340400000000, -0.0001568600000000 ] - [ -0.0000745600000000, -0.0001234300000000, 0.0005804600000000 ] - [ -0.0001474200000000, -0.0000579900000000, 0.0004872100000000 ] - [ 0.0001441700000000, -0.0000028500000000, 0.0005804600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000821100000000 ] - [ 0.0000329300000000, -0.0000118900000000, 0.0001758000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000234900000000 ] - [ 0.0000174900000000, -0.0000377800000000, -0.0001568600000000 ] - [ 0.0001555500000000, 0.0001595000000000, -0.0003894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000572400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050412000000000 ] - [ -0.0000267600000000, -0.0000225700000000, 0.0001758000000000 ] - [ -0.0000414700000000, 0.0000037400000000, -0.0001568600000000 ] - [ -0.0000696200000000, 0.0001262800000000, 0.0005804600000000 ] - [ -0.0000113200000000, -0.0000220600000000, 0.0000518100000000 ] - [ 0.0000247600000000, 0.0000012300000000, 0.0000518100000000 ] - [ 0.0000234900000000, 0.0001566600000000, 0.0004872100000000 ] - [ -0.0000061700000000, 0.0000344600000000, 0.0001758000000000 ] - [ 0.0001239300000000, -0.0000986700000000, 0.0004872100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000036000000000 ] - [ 0.0000603600000000, -0.0002144600000000, -0.0003894100000000 ] - [ -0.0002159000000000, 0.0000549600000000, -0.0003894100000000 ] - [ -0.0000129300000000, -0.0006784500000000, -0.0001616300000000 ] - [ -0.0001840300000000, 0.0001211600000000, -0.0001040300000000 ] - [ 0.0020501000000000, 0.0026574200000000, -0.0033982400000000 ] - [ 0.0005940200000000, 0.0003280300000000, -0.0001616300000000 ] - [ -0.0004088500000000, -0.0005207100000000, 0.0000227200000000 ] - [ -0.0069749700000000, -0.0004593600000000, 0.0015645500000000 ] - [ 0.0012763500000000, -0.0031041500000000, -0.0033982400000000 ] - [ -0.0003846600000000, -0.0005354400000000, 0.0007467500000000 ] - [ -0.0002713700000000, 0.0006008500000000, 0.0007467500000000 ] - [ -0.0005810900000000, 0.0003504200000000, -0.0001616300000000 ] - [ -0.0033264400000000, 0.0004467300000000, -0.0033982400000000 ] - [ -0.0002426600000000, 0.0000310600000000, 0.0000616400000000 ] - [ 0.0006560300000000, -0.0000654100000000, 0.0007467500000000 ] - [ 0.0030896700000000, 0.0062701800000000, 0.0015645500000000 ] - [ 0.0006553700000000, -0.0000937200000000, 0.0000227200000000 ] - [ 0.0000944300000000, -0.0002256800000000, 0.0000616400000000 ] - [ 0.0001482300000000, 0.0001946200000000, 0.0000616400000000 ] - [ -0.0005863000000000, -0.0001973500000000, -0.0003359500000000 ] - [ -0.0002465200000000, 0.0006144300000000, 0.0000227200000000 ] - [ 0.0038853000000000, -0.0058108200000000, 0.0015645500000000 ] - [ 0.0001969400000000, 0.0000988000000000, -0.0001040300000000 ] - [ 0.0001222400000000, 0.0006064200000000, -0.0003359500000000 ] - [ -0.0000129100000000, -0.0002199500000000, -0.0001040300000000 ] - [ 0.0004640600000000, -0.0004090700000000, -0.0003359500000000 ] - [ -0.0004173900000000, -0.0005646400000000, -0.0001294500000000 ] - [ 0.0008829800000000, 0.0003403900000000, 0.0002085000000000 ] - [ -0.0002500100000000, 0.0003336200000000, -0.0007353400000000 ] - [ 0.0004428900000000, -0.0006489000000000, 0.0004509800000000 ] - [ -0.0052575300000000, -0.0058291300000000, 0.0007500200000000 ] - [ 0.0047447700000000, -0.0018448600000000, -0.0031050900000000 ] - [ -0.0007362700000000, 0.0005944900000000, 0.0002085000000000 ] - [ 0.0004139300000000, 0.0000497000000000, -0.0007353400000000 ] - [ -0.0007612600000000, 0.0004391000000000, -0.0010136100000000 ] - [ 0.0076769400000000, -0.0016385900000000, 0.0007500200000000 ] - [ -0.0024194100000000, 0.0074677200000000, 0.0007500200000000 ] - [ -0.0001467100000000, -0.0009348800000000, 0.0002085000000000 ] - [ -0.0002803000000000, 0.0006438000000000, -0.0001294500000000 ] - [ 0.0000003600000000, -0.0008788200000000, -0.0010136100000000 ] - [ 0.0007609000000000, 0.0004397300000000, -0.0010136100000000 ] - [ -0.0001639200000000, -0.0003833300000000, -0.0007353400000000 ] - [ 0.0000046500000000, -0.0003207000000000, -0.0005351300000000 ] - [ -0.0039700800000000, -0.0031866600000000, -0.0031050900000000 ] - [ -0.0002800600000000, 0.0001563300000000, -0.0005351300000000 ] - [ 0.0003405200000000, 0.0007080100000000, 0.0004509800000000 ] - [ 0.0006976900000000, -0.0000791500000000, -0.0001294500000000 ] - [ 0.0002754100000000, 0.0001643800000000, -0.0005351300000000 ] - [ -0.0007834100000000, -0.0000591000000000, 0.0004509800000000 ] - [ -0.0007746800000000, 0.0050315200000000, -0.0031050900000000 ] - [ 0.0007711800000000, 0.0000905700000000, 0.0029458200000000 ] - [ 0.0003383500000000, -0.0000090200000000, 0.0000906000000000 ] - [ 0.0004049500000000, 0.0003119700000000, 0.0001756400000000 ] - [ -0.0009603600000000, -0.0006540100000000, -0.0001824300000000 ] - [ -0.0025938300000000, -0.0007331000000000, 0.0009427600000000 ] - [ 0.0000481400000000, 0.0001515400000000, -0.0005204000000000 ] - [ 0.0000062300000000, 0.0002148000000000, -0.0001927600000000 ] - [ -0.0005760400000000, -0.0000545900000000, 0.0000136900000000 ] - [ -0.0001689000000000, 0.0000171100000000, 0.0000085500000000 ] - [ -0.0004640300000000, 0.0006225700000000, 0.0029458200000000 ] - [ 0.0003353000000000, -0.0004715700000000, 0.0000136900000000 ] - [ -0.0006527400000000, 0.0004538400000000, -0.0003486800000000 ] - [ -0.0001447800000000, 0.0001487500000000, -0.0037986200000000 ] - [ 0.0011509400000000, 0.0005156000000000, 0.0002381200000000 ] - [ 0.0005444000000000, -0.0000164600000000, -0.0000068400000000 ] - [ -0.0000527800000000, 0.0001533100000000, 0.0004239700000000 ] - [ -0.0001063800000000, -0.0001223700000000, 0.0004239700000000 ] - [ 0.0000586000000000, 0.0001875800000000, -0.0001000800000000 ] - [ 0.0019318000000000, -0.0018797700000000, 0.0009427600000000 ] - [ 0.0003551400000000, -0.0001518800000000, 0.0000035700000000 ] - [ 0.0010649100000000, 0.0014438000000000, 0.0000599500000000 ] - [ 0.0005291800000000, 0.0009075900000000, -0.0013356400000000 ] - [ 0.0000737900000000, 0.0000243300000000, 0.0009103100000000 ] - [ 0.0005214100000000, -0.0009120800000000, -0.0013356400000000 ] - [ -0.0002106600000000, 0.0001873900000000, -0.0001448200000000 ] - [ -0.0014201800000000, -0.0000044900000000, -0.0001720500000000 ] - [ -0.0007568100000000, -0.0004227700000000, -0.0003634400000000 ] - [ 0.0007179100000000, -0.0016441400000000, 0.0000599500000000 ] - [ -0.0000635300000000, 0.0005725500000000, -0.0000545900000000 ] - [ 0.0002628100000000, 0.0003747100000000, 0.0000883700000000 ] - [ -0.0003071500000000, -0.0007131500000000, 0.0029458200000000 ] - [ 0.0002012100000000, 0.0000510000000000, -0.0037986200000000 ] - [ -0.0004640800000000, -0.0003413000000000, -0.0000545900000000 ] - [ 0.0001931000000000, -0.0004149500000000, 0.0000883700000000 ] - [ 0.0000122800000000, 0.0008668000000000, -0.0003634400000000 ] - [ -0.0003817400000000, -0.0000662500000000, 0.0000897400000000 ] - [ -0.0010219900000000, 0.0007389500000000, 0.0002381200000000 ] - [ -0.0001891400000000, -0.0001020100000000, -0.0001927600000000 ] - [ 0.0002676100000000, 0.0000887400000000, -0.0001448200000000 ] - [ -0.0000460400000000, 0.0003835000000000, 0.0000035700000000 ] - [ 0.0010465700000000, -0.0005046900000000, -0.0001824300000000 ] - [ 0.0002482500000000, -0.0002974700000000, 0.0000897400000000 ] - [ -0.0001613700000000, 0.0002975300000000, 0.0000906000000000 ] - [ -0.0003615700000000, -0.0003881200000000, 0.0001730300000000 ] - [ 0.0000677000000000, -0.0005066800000000, 0.0001756400000000 ] - [ -0.0010505900000000, 0.0000044900000000, -0.0013356400000000 ] - [ 0.0002407400000000, 0.0005261600000000, 0.0000136900000000 ] - [ 0.0000460000000000, -0.0000738000000000, 0.0007086900000000 ] - [ 0.0001362500000000, -0.0026374400000000, 0.0000151200000000 ] - [ -0.0000048500000000, -0.0000415200000000, 0.0000264200000000 ] - [ 0.0022159600000000, 0.0014367100000000, 0.0000151200000000 ] - [ 0.0007194100000000, 0.0003383700000000, -0.0003486800000000 ] - [ -0.0000158300000000, -0.0000760700000000, 0.0009103100000000 ] - [ -0.0001289500000000, -0.0012545500000000, 0.0002381200000000 ] - [ -0.0002864500000000, -0.0004632300000000, -0.0000068400000000 ] - [ 0.0000696300000000, -0.0001548300000000, 0.0000085500000000 ] - [ -0.0004726400000000, 0.0001947100000000, 0.0001756400000000 ] - [ -0.0000862100000000, 0.0011587100000000, -0.0001824300000000 ] - [ 0.0001331500000000, -0.0001445400000000, -0.0001000800000000 ] - [ 0.0001726900000000, 0.0000661300000000, -0.0003226000000000 ] - [ 0.0000409100000000, 0.0000767300000000, 0.0007086900000000 ] - [ 0.0006620300000000, 0.0026128800000000, 0.0009427600000000 ] - [ 0.0000610100000000, 0.0000707600000000, -0.0000092700000000 ] - [ 0.0001071700000000, -0.0001174600000000, -0.0005204000000000 ] - [ -0.0001917500000000, -0.0000430400000000, -0.0001000800000000 ] - [ 0.0000307800000000, -0.0000882100000000, -0.0000092700000000 ] - [ -0.0000869100000000, -0.0000029400000000, 0.0007086900000000 ] - [ 0.0001334900000000, 0.0003637200000000, 0.0000897400000000 ] - [ -0.0001436200000000, 0.0001164900000000, -0.0003226000000000 ] - [ 0.0000383800000000, 0.0000165600000000, 0.0000264200000000 ] - [ -0.0001553100000000, -0.0000340800000000, -0.0005204000000000 ] - [ -0.0003337700000000, -0.0018097600000000, 0.0007668100000000 ] - [ -0.0000290800000000, -0.0001826200000000, -0.0003226000000000 ] - [ 0.0005169000000000, -0.0001190700000000, 0.0001730300000000 ] - [ -0.0000564400000000, -0.0001997600000000, -0.0037986200000000 ] - [ -0.0014004200000000, 0.0011939300000000, 0.0007668100000000 ] - [ -0.0003091000000000, -0.0002316200000000, 0.0000035700000000 ] - [ 0.0001591600000000, -0.0000309500000000, 0.0004239700000000 ] - [ 0.0007062000000000, 0.0012321500000000, -0.0001720500000000 ] - [ -0.0000569500000000, -0.0002761300000000, -0.0001448200000000 ] - [ 0.0000992700000000, 0.0001377200000000, 0.0000085500000000 ] - [ 0.0017341800000000, 0.0006158300000000, 0.0007668100000000 ] - [ -0.0000335300000000, 0.0000249600000000, 0.0000264200000000 ] - [ 0.0007139700000000, -0.0012276700000000, -0.0001720500000000 ] - [ -0.0000917800000000, 0.0000174500000000, -0.0000092700000000 ] - [ 0.0001829100000000, -0.0001128000000000, -0.0001927600000000 ] - [ -0.0017828300000000, 0.0002003400000000, 0.0000599500000000 ] - [ 0.0005276100000000, -0.0002312500000000, -0.0000545900000000 ] - [ -0.0023522100000000, 0.0012007300000000, 0.0000151200000000 ] - [ -0.0001769800000000, -0.0002885100000000, 0.0000906000000000 ] - [ -0.0002579400000000, 0.0004796900000000, -0.0000068400000000 ] - [ -0.0000579600000000, 0.0000517400000000, 0.0009103100000000 ] - [ -0.0000666700000000, -0.0007922100000000, -0.0003486800000000 ] - [ 0.0007445300000000, -0.0004440300000000, -0.0003634400000000 ] - [ -0.0001553400000000, 0.0005071800000000, 0.0001730300000000 ] - [ -0.0004559100000000, 0.0000402400000000, 0.0000883700000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0005059400000000, 0.0006232600000000, 0.0000757200000000 ] - [ 0.0004021400000000, -0.0005386300000000, 0.0000930100000000 ] - [ -0.0240793100000000, 0.0024534500000000, -0.0072546500000000 ] - [ 0.0000991600000000, -0.0001166400000000, 0.0002219800000000 ] - [ 0.0004231200000000, -0.0000827300000000, 0.0000027100000000 ] - [ 0.0005674800000000, 0.0004723300000000, 0.0001835200000000 ] - [ 0.0000391500000000, 0.0002992800000000, 0.0000566000000000 ] - [ 0.0003491300000000, 0.0005300400000000, 0.0001816200000000 ] - [ 0.0009291500000000, -0.0008126600000000, 0.0000199200000000 ] - [ 0.0006239900000000, -0.0000711300000000, 0.0002141400000000 ] - [ -0.0002994600000000, 0.0000402000000000, 0.0000259100000000 ] - [ 0.0004907200000000, -0.0004586600000000, 0.0000788000000000 ] - [ 0.0006438100000000, -0.0007354000000000, 0.0000423500000000 ] - [ 0.0002318200000000, 0.0000159100000000, 0.0001176600000000 ] - [ -0.0000279000000000, -0.0003043100000000, 0.0002127700000000 ] - [ -0.0004872400000000, 0.0001336000000000, 0.0001833000000000 ] - [ -0.0008554300000000, -0.0001762700000000, 0.0001308200000000 ] - [ 0.0002491800000000, -0.0000043800000000, 0.0001168100000000 ] - [ 0.0000372200000000, -0.0001293900000000, 0.0000209400000000 ] - [ -0.0004296800000000, -0.0000783500000000, 0.0000972000000000 ] - [ -0.0019525600000000, 0.0000873700000000, 0.0002027400000000 ] - [ 0.0000342000000000, 0.0003105700000000, 0.0000237900000000 ] - [ 0.0014891200000000, 0.0011837000000000, 0.0000236500000000 ] - [ 0.0000346900000000, 0.0000701400000000, 0.0000077000000000 ] - [ -0.0020117400000000, -0.0035405200000000, 0.0014534700000000 ] - [ -0.0000041200000000, -0.0010767500000000, -0.0001014200000000 ] - [ 0.0027109100000000, -0.0008876700000000, 0.0000613800000000 ] - [ 0.0011027000000000, -0.0002139700000000, -0.0002659700000000 ] - [ 0.0011136000000000, 0.0004120000000000, 0.0003546400000000 ] - [ 0.0007225400000000, -0.0013234100000000, -0.0000062300000000 ] - [ -0.0004214100000000, -0.0008206000000000, -0.0000342500000000 ] - [ -0.0001066600000000, -0.0004943500000000, 0.0003961200000000 ] - [ -0.0030253200000000, 0.0044398000000000, 0.0027122300000000 ] - [ 0.0014571900000000, 0.0002369700000000, 0.0001494500000000 ] - [ -0.0025582900000000, -0.0035422300000000, 0.0025950900000000 ] - [ 0.0000850400000000, 0.0004067700000000, -0.0000188600000000 ] - [ 0.0010068600000000, 0.0004025800000000, 0.0003979000000000 ] - [ -0.0007024300000000, -0.0005390700000000, -0.0002262100000000 ] - [ -0.0020099100000000, 0.0043973100000000, 0.0016842400000000 ] - [ 0.0002224700000000, 0.0008158300000000, -0.0000391000000000 ] - [ 0.0001225800000000, 0.0007078700000000, 0.0000572200000000 ] - [ -0.0001922200000000, 0.0002390800000000, -0.0002032900000000 ] - [ -0.0001923800000000, -0.0005417100000000, 0.0004036700000000 ] - [ 0.0031194800000000, -0.0009875600000000, -0.0027487300000000 ] - [ 0.0060717800000000, 0.0011463500000000, -0.0057145700000000 ] - [ -0.0000414200000000, 0.0011215600000000, -0.0003394600000000 ] - [ 0.0009375800000000, -0.0006296300000000, -0.0000100400000000 ] - [ 0.0007029800000000, 0.0004972100000000, -0.0003676500000000 ] - [ 0.0011164800000000, 0.0000298500000000, -0.0005340500000000 ] - [ 0.0011655600000000, -0.0009988500000000, 0.0004178100000000 ] - [ -0.0004235400000000, 0.0007965700000000, -0.0005662100000000 ] - [ 0.0004239700000000, -0.0001177600000000, 0.0002844800000000 ] - [ 0.0004385500000000, -0.0012529500000000, 0.0002660200000000 ] - [ -0.0023038200000000, -0.0054804100000000, -0.0026149300000000 ] - [ 0.0007925000000000, 0.0002360600000000, 0.0002731500000000 ] - [ 0.0004811000000000, 0.0011590100000000, -0.0005833700000000 ] - [ -0.0026087400000000, 0.0035795200000000, -0.0028220400000000 ] - [ 0.0012554900000000, -0.0000999100000000, 0.0001578600000000 ] - [ 0.0034402700000000, -0.0015475400000000, 0.0034717300000000 ] - [ 0.0079391300000000, 0.0006517000000000, 0.0074107500000000 ] - [ -0.0004642200000000, -0.0004134500000000, -0.0005761900000000 ] - [ -0.0004490300000000, -0.0010268800000000, -0.0005611100000000 ] - [ 0.0016250500000000, 0.0003725000000000, -0.0005251800000000 ] - [ 0.0003831700000000, 0.0003055300000000, -0.0006982900000000 ] - [ -0.0021739000000000, -0.0044035400000000, -0.0018555700000000 ] - [ 0.0018373400000000, 0.0004244400000000, 0.0000588400000000 ] - [ 0.0016341800000000, 0.0004546900000000, -0.0008724500000000 ] - [ 0.0006732600000000, 0.0012992900000000, 0.0003668800000000 ] - [ -0.0055595000000000, 0.0045403800000000, -0.0028982800000000 ] - [ 0.0006928000000000, -0.0002796600000000, -0.0006518400000000 ] - [ -0.0007969400000000, 0.0013326000000000, 0.0004851600000000 ] - [ 0.0007545900000000, -0.0004808900000000, 0.0001550800000000 ] - [ -0.0005549800000000, 0.0002164500000000, 0.0000887800000000 ] - [ 0.0001446800000000, 0.0006031000000000, 0.0001436000000000 ] - [ 0.0006972500000000, 0.0007628100000000, 0.0001528500000000 ] - [ -0.0001946000000000, 0.0007618000000000, 0.0000310800000000 ] - [ -0.0000660700000000, 0.0013794700000000, 0.0005000800000000 ] - [ -0.0003481200000000, -0.0000504600000000, -0.0000835000000000 ] - [ -0.0009364000000000, 0.0006243500000000, -0.0002365900000000 ] - [ -0.0025410100000000, -0.0000902400000000, 0.0009751200000000 ] - [ -0.0001428300000000, 0.0001409000000000, -0.0000130200000000 ] - [ 0.0027474400000000, -0.0002868400000000, 0.0003958900000000 ] - [ 0.0003006200000000, 0.0009441400000000, 0.0001869200000000 ] - [ -0.0005753900000000, -0.0000448700000000, -0.0002530400000000 ] - [ -0.0001498600000000, 0.0000118400000000, 0.0000543400000000 ] - [ 0.0032481900000000, 0.0003372600000000, 0.0001383000000000 ] - [ 0.0003166400000000, -0.0003621400000000, -0.0000861200000000 ] - [ -0.0006069300000000, -0.0000386400000000, -0.0000691600000000 ] - [ 0.0007449100000000, -0.0024989300000000, 0.0004571000000000 ] - [ -0.0005468700000000, 0.0003075700000000, -0.0002176700000000 ] - [ -0.0002800900000000, 0.0005083700000000, -0.0000024100000000 ] - [ 0.0002141800000000, -0.0002635400000000, 0.0000420900000000 ] - [ -0.0006182200000000, -0.0003613100000000, -0.0000423800000000 ] - [ -0.0000689200000000, 0.0004738200000000, 0.0000091500000000 ] - [ -0.0001309900000000, -0.0002233600000000, 0.0007843200000000 ] - [ -0.0003364800000000, 0.0017955600000000, -0.0010051500000000 ] - [ -0.0005621500000000, -0.0004010300000000, -0.0000974400000000 ] - [ -0.0006887800000000, -0.0002012100000000, -0.0000396300000000 ] - [ -0.0010495500000000, 0.0000854500000000, -0.0003968400000000 ] - [ -0.0002823000000000, 0.0001245700000000, -0.0000364000000000 ] - [ -0.0003096400000000, 0.0007546900000000, -0.0000726200000000 ] - [ -0.0002451700000000, 0.0001656100000000, 0.0000454200000000 ] - [ -0.0001744600000000, -0.0000269400000000, 0.0000822000000000 ] - [ -0.0001893900000000, 0.0002848600000000, 0.0000944100000000 ] - [ -0.0011212800000000, -0.0008051400000000, -0.0000181400000000 ] - [ 0.0003170000000000, -0.0002991200000000, 0.0001232300000000 ] - [ -0.0006179300000000, 0.0025686900000000, -0.0024518500000000 ] - [ -0.0003201600000000, -0.0031207300000000, -0.0025549400000000 ] - [ -0.0005756100000000, 0.0002116200000000, 0.0000246500000000 ] - [ -0.0001061500000000, 0.0020560600000000, 0.0025922900000000 ] - [ 0.0001213600000000, -0.0002229200000000, -0.0001106000000000 ] - [ -0.0001098700000000, 0.0000306000000000, 0.0000432400000000 ] - [ -0.0008023400000000, -0.0004968300000000, 0.0000602500000000 ] - [ 0.0004124900000000, 0.0006723300000000, -0.0000516700000000 ] - [ -0.0012279800000000, -0.0002472700000000, 0.0001297200000000 ] - [ -0.0007823800000000, -0.0004476700000000, 0.0001827900000000 ] - [ 0.0000813000000000, -0.0025086200000000, 0.0012972400000000 ] - [ -0.0009982000000000, 0.0007398200000000, -0.0001933300000000 ] - [ -0.0001358000000000, 0.0008216400000000, 0.0000932500000000 ] - [ -0.0006943300000000, -0.0001818700000000, 0.0007063700000000 ] - [ -0.0000339800000000, 0.0003469100000000, -0.0001412400000000 ] - [ -0.0004247700000000, 0.0001428300000000, 0.0000075200000000 ] - [ -0.0009595300000000, 0.0005903300000000, 0.0001038500000000 ] - [ 0.0004771100000000, -0.0000825700000000, -0.0003047500000000 ] - [ 0.0000890700000000, -0.0002477000000000, 0.0008182300000000 ] - [ -0.0004763300000000, -0.0006643200000000, -0.0000217800000000 ] - [ -0.0004806400000000, -0.0009662200000000, 0.0001077300000000 ] - [ -0.0002651600000000, -0.0005792300000000, -0.0000037400000000 ] - [ -0.0012341100000000, 0.0002769500000000, 0.0000908500000000 ] - [ 0.0008008500000000, -0.0021734900000000, 0.0030007400000000 ] - [ 0.0000451000000000, 0.0003938900000000, -0.0002284500000000 ] - [ 0.0000326700000000, -0.0001433800000000, -0.0002079400000000 ] - [ 0.0009835300000000, 0.0010839400000000, 0.0009610100000000 ] - [ -0.0019643800000000, 0.0002876500000000, 0.0000660800000000 ] - [ -0.0001327400000000, -0.0003123100000000, -0.0000710300000000 ] - [ 0.0000870700000000, 0.0000741800000000, -0.0000542800000000 ] - [ 0.0043665700000000, -0.0004714000000000, -0.0005738300000000 ] - [ 0.0004501000000000, -0.0007326200000000, 0.0000726100000000 ] - [ -0.0003411400000000, 0.0002158600000000, 0.0008167400000000 ] - [ -0.0011370500000000, 0.0002406000000000, 0.0000005500000000 ] - [ -0.0001828300000000, -0.0003806300000000, -0.0003001600000000 ] - [ -0.0025209500000000, -0.0005377800000000, -0.0011353000000000 ] - [ 0.0015956000000000, -0.0010864700000000, -0.0001709500000000 ] - [ -0.0023853500000000, 0.0002484000000000, -0.0003861900000000 ] - [ -0.0000037200000000, -0.0003810100000000, -0.0002296800000000 ] - [ 0.0006454200000000, -0.0011414500000000, 0.0005553600000000 ] - [ -0.0007477000000000, 0.0004980600000000, -0.0003545300000000 ] - [ -0.0001930700000000, 0.0003872500000000, -0.0001141700000000 ] - [ -0.0002415700000000, -0.0016504500000000, -0.0004268300000000 ] - [ 0.0002277500000000, 0.0002381900000000, -0.0000711000000000 ] - [ -0.0001816400000000, 0.0005135700000000, -0.0000099900000000 ] - [ 0.0002481400000000, -0.0008306700000000, -0.0002458600000000 ] - [ 0.0002401200000000, -0.0010186500000000, -0.0001060200000000 ] - [ 0.0003305600000000, 0.0008592800000000, -0.0005761200000000 ] - [ 0.0000437100000000, 0.0011953900000000, -0.0000557100000000 ] - [ 0.0042913900000000, 0.0005025300000000, 0.0020753600000000 ] - [ -0.0003857200000000, -0.0003902900000000, 0.0000291300000000 ] - [ -0.0001031500000000, 0.0002244200000000, -0.0000911700000000 ] - [ 0.0027324600000000, 0.0004285700000000, 0.0003350300000000 ] - [ 0.0040957100000000, 0.0001271900000000, 0.0002605300000000 ] - [ 0.0006831300000000, 0.0019936700000000, 0.0015657600000000 ] - [ 0.0047735500000000, -0.0008158100000000, 0.0003089200000000 ] - [ -0.0001208500000000, -0.0000578900000000, -0.0001044400000000 ] - [ -0.0001619700000000, -0.0004533600000000, 0.0008210900000000 ] - [ -0.0001801100000000, -0.0012352700000000, -0.0004341300000000 ] - [ -0.0002797500000000, 0.0000766900000000, -0.0002169800000000 ] - [ 0.0001384900000000, 0.0004377500000000, 0.0001442100000000 ] - [ 0.0005032800000000, -0.0012522600000000, 0.0002360000000000 ]- atom: 3 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0005511400000000, -0.0005878800000000, 0.0001512900000000 ] - [ -0.0004012700000000, 0.0005385700000000, 0.0000300100000000 ] - [ 0.0237364500000000, -0.0023874500000000, 0.0078979600000000 ] - [ -0.0002107800000000, -0.0000303600000000, 0.0002366400000000 ] - [ -0.0007155800000000, -0.0001225900000000, 0.0000309900000000 ] - [ -0.0003807300000000, -0.0004947000000000, 0.0002758500000000 ] - [ -0.0000384700000000, -0.0002977800000000, 0.0000507400000000 ] - [ -0.0003019100000000, -0.0005609400000000, 0.0000453600000000 ] - [ -0.0009251000000000, 0.0008079400000000, 0.0000865500000000 ] - [ -0.0005507800000000, -0.0000970600000000, 0.0002457100000000 ] - [ 0.0005909600000000, 0.0001637600000000, 0.0000078600000000 ] - [ -0.0004892500000000, 0.0004576400000000, -0.0000250000000000 ] - [ -0.0006429200000000, 0.0007399900000000, 0.0000815800000000 ] - [ -0.0002825500000000, -0.0000394100000000, 0.0001088600000000 ] - [ -0.0001565500000000, 0.0003257000000000, 0.0002470400000000 ] - [ 0.0004130400000000, 0.0000336300000000, 0.0002766000000000 ] - [ 0.0008492400000000, 0.0001286200000000, 0.0000958200000000 ] - [ -0.0001978900000000, 0.0000264300000000, 0.0001097700000000 ] - [ -0.0000702500000000, 0.0004866700000000, 0.0000133400000000 ] - [ 0.0004337600000000, 0.0001368500000000, 0.0001288900000000 ] - [ 0.0022717100000000, -0.0002427200000000, -0.0001688500000000 ] - [ -0.0000348100000000, -0.0003112600000000, 0.0000294100000000 ] - [ -0.0014635800000000, -0.0015516700000000, 0.0000113800000000 ] - [ -0.0003608700000000, 0.0000830600000000, 0.0000276700000000 ] - [ 0.0018366400000000, 0.0022500300000000, -0.0019482100000000 ] - [ -0.0002644700000000, 0.0014313500000000, 0.0000556400000000 ] - [ -0.0014139900000000, -0.0002068900000000, -0.0001704800000000 ] - [ 0.0000667900000000, 0.0007437900000000, -0.0002327600000000 ] - [ -0.0011297500000000, -0.0003681200000000, 0.0004482300000000 ] - [ -0.0010287800000000, -0.0003376300000000, -0.0001018800000000 ] - [ -0.0011776000000000, 0.0002511500000000, -0.0000694200000000 ] - [ 0.0001232700000000, 0.0004471900000000, 0.0004062000000000 ] - [ 0.0029925600000000, -0.0044188800000000, -0.0019069400000000 ] - [ -0.0025011900000000, 0.0005203200000000, -0.0006461400000000 ] - [ 0.0028885400000000, 0.0052029700000000, -0.0026907900000000 ] - [ -0.0005168300000000, -0.0004675800000000, -0.0000229500000000 ] - [ -0.0009845800000000, -0.0003587900000000, 0.0004014200000000 ] - [ -0.0005983100000000, 0.0016321100000000, 0.0001165300000000 ] - [ 0.0019704600000000, -0.0044255500000000, -0.0008840000000000 ] - [ 0.0000492500000000, -0.0011687700000000, -0.0000067700000000 ] - [ 0.0000548600000000, -0.0002916800000000, -0.0000935000000000 ] - [ -0.0009758700000000, -0.0007720800000000, -0.0002957700000000 ] - [ 0.0002407400000000, 0.0005305200000000, 0.0003996600000000 ] - [ -0.0015178400000000, 0.0015588800000000, 0.0026741100000000 ] - [ -0.0055711300000000, -0.0010767400000000, 0.0056203700000000 ] - [ 0.0001782800000000, 0.0001600800000000, -0.0001607800000000 ] - [ -0.0011144900000000, 0.0002116500000000, -0.0000266500000000 ] - [ 0.0003451300000000, -0.0012527200000000, -0.0001306500000000 ] - [ -0.0008442200000000, -0.0010613200000000, -0.0006015200000000 ] - [ 0.0004955300000000, 0.0013756700000000, 0.0002563300000000 ] - [ 0.0002055800000000, -0.0001638600000000, -0.0007084700000000 ] - [ 0.0007460900000000, -0.0011260500000000, 0.0003848300000000 ] - [ 0.0002258900000000, 0.0006925700000000, 0.0000946200000000 ] - [ 0.0021572900000000, 0.0046430300000000, 0.0029494500000000 ] - [ -0.0019615300000000, 0.0010050500000000, 0.0003965500000000 ] - [ 0.0002351100000000, -0.0012748400000000, -0.0006829100000000 ] - [ 0.0023097100000000, -0.0025340600000000, 0.0016798500000000 ] - [ -0.0010940800000000, 0.0009301100000000, 0.0001924800000000 ] - [ -0.0042110600000000, 0.0012432000000000, -0.0031645700000000 ] - [ -0.0083330900000000, -0.0022574000000000, -0.0066745800000000 ] - [ -0.0005917200000000, 0.0006908100000000, -0.0005618800000000 ] - [ -0.0002948600000000, 0.0002572500000000, -0.0005746800000000 ] - [ -0.0005688300000000, -0.0006536500000000, -0.0006129700000000 ] - [ -0.0007975100000000, -0.0008766700000000, -0.0005719900000000 ] - [ 0.0023617000000000, 0.0037537800000000, 0.0005776000000000 ] - [ -0.0025018400000000, 0.0001328400000000, 0.0003022000000000 ] - [ -0.0023465800000000, -0.0003356300000000, -0.0003945400000000 ] - [ -0.0001728600000000, 0.0003309300000000, 0.0003044500000000 ] - [ 0.0063471500000000, -0.0037618800000000, 0.0017516700000000 ] - [ -0.0002765700000000, 0.0008473500000000, -0.0006191100000000 ] - [ -0.0008643100000000, -0.0017077200000000, 0.0001879500000000 ] - [ 0.0000248400000000, 0.0007706800000000, 0.0001937500000000 ] - [ 0.0011714600000000, 0.0000789600000000, 0.0000895600000000 ] - [ 0.0005825600000000, -0.0002491300000000, 0.0001191400000000 ] - [ 0.0001672700000000, -0.0005050200000000, 0.0001122300000000 ] - [ -0.0005891900000000, -0.0002995300000000, 0.0000485100000000 ] - [ 0.0002307700000000, -0.0015288000000000, -0.0005384100000000 ] - [ 0.0005316700000000, 0.0003316800000000, -0.0000363300000000 ] - [ 0.0009971000000000, -0.0001325000000000, -0.0000999600000000 ] - [ 0.0014416100000000, 0.0000520000000000, -0.0009746800000000 ] - [ -0.0005681400000000, 0.0001091100000000, -0.0000390600000000 ] - [ -0.0033405500000000, 0.0007631000000000, -0.0002121300000000 ] - [ 0.0003216600000000, -0.0019182500000000, -0.0001627800000000 ] - [ -0.0008217400000000, 0.0009414100000000, -0.0004609400000000 ] - [ 0.0007147100000000, -0.0003990400000000, 0.0001228000000000 ] - [ -0.0032463600000000, 0.0005850800000000, -0.0000654700000000 ] - [ 0.0007768600000000, 0.0003997100000000, 0.0000844600000000 ] - [ 0.0004502400000000, 0.0003410800000000, -0.0000508700000000 ] - [ -0.0009155100000000, 0.0022103300000000, -0.0005755500000000 ] - [ 0.0006359500000000, 0.0000615200000000, -0.0002124000000000 ] - [ 0.0003298700000000, -0.0002901200000000, -0.0000384200000000 ] - [ 0.0000071700000000, -0.0002315400000000, 0.0000450200000000 ] - [ 0.0011525400000000, 0.0005397800000000, -0.0000928600000000 ] - [ 0.0002882300000000, -0.0004116400000000, -0.0000526600000000 ] - [ 0.0002854200000000, 0.0002520300000000, 0.0008336400000000 ] - [ 0.0002817900000000, -0.0020231700000000, 0.0009719800000000 ] - [ 0.0001731800000000, 0.0006975800000000, -0.0002344100000000 ] - [ 0.0011139300000000, -0.0001784300000000, -0.0000935300000000 ] - [ -0.0004199500000000, -0.0008420500000000, -0.0003145300000000 ] - [ 0.0001688100000000, -0.0006785300000000, -0.0001031800000000 ] - [ 0.0001928400000000, -0.0000361800000000, 0.0000303600000000 ] - [ 0.0004579700000000, 0.0007063400000000, 0.0002216900000000 ] - [ 0.0001231400000000, -0.0006549900000000, 0.0000932000000000 ] - [ -0.0004268800000000, -0.0005794600000000, 0.0000849000000000 ] - [ 0.0005540400000000, 0.0003166800000000, -0.0000313200000000 ] - [ 0.0003366800000000, -0.0003176400000000, 0.0001400200000000 ] - [ 0.0006962700000000, -0.0009000200000000, 0.0017170500000000 ] - [ 0.0000282500000000, 0.0026517900000000, 0.0026210400000000 ] - [ -0.0002227500000000, -0.0006587700000000, 0.0000582700000000 ] - [ -0.0003344100000000, -0.0022356900000000, -0.0029085700000000 ] - [ 0.0003338200000000, 0.0004149300000000, -0.0002253400000000 ] - [ 0.0004203500000000, 0.0004178100000000, 0.0000408600000000 ] - [ 0.0008109500000000, -0.0004153800000000, 0.0000185600000000 ] - [ 0.0001337200000000, -0.0007220400000000, 0.0001379000000000 ] - [ 0.0005589100000000, 0.0006854100000000, 0.0001288200000000 ] - [ 0.0000538300000000, 0.0000971800000000, 0.0000802900000000 ] - [ -0.0002918300000000, 0.0016225100000000, -0.0010211300000000 ] - [ 0.0008303300000000, -0.0005877200000000, 0.0001522700000000 ] - [ 0.0006707700000000, 0.0001601700000000, -0.0000918300000000 ] - [ 0.0008023500000000, 0.0000542000000000, 0.0009176400000000 ] - [ 0.0003763400000000, -0.0004099800000000, -0.0001250700000000 ] - [ 0.0003569600000000, -0.0002532800000000, 0.0000076800000000 ] - [ 0.0008652600000000, -0.0002979000000000, -0.0003883300000000 ] - [ 0.0009908400000000, 0.0008398500000000, -0.0004062100000000 ] - [ -0.0001445900000000, 0.0000956900000000, 0.0007968400000000 ] - [ 0.0012626500000000, 0.0002054600000000, 0.0001014400000000 ] - [ -0.0000544600000000, -0.0000146300000000, -0.0001065000000000 ] - [ 0.0003818600000000, -0.0001360600000000, -0.0000387500000000 ] - [ 0.0005798500000000, 0.0003397000000000, 0.0001725300000000 ] - [ -0.0000476700000000, 0.0026189600000000, -0.0029045800000000 ] - [ 0.0002345800000000, -0.0006560900000000, -0.0002039700000000 ] - [ 0.0003313400000000, 0.0002515500000000, -0.0002200000000000 ] - [ -0.0009182400000000, -0.0009302900000000, 0.0006557500000000 ] - [ 0.0017439900000000, -0.0003512100000000, -0.0001150400000000 ] - [ 0.0002004800000000, 0.0004243700000000, 0.0000866300000000 ] - [ 0.0000699500000000, -0.0003752800000000, -0.0000656200000000 ] - [ -0.0042772700000000, 0.0003756900000000, 0.0001475100000000 ] - [ -0.0003770700000000, 0.0006061100000000, -0.0000564400000000 ] - [ 0.0001862700000000, -0.0002428400000000, 0.0008013800000000 ] - [ 0.0009147200000000, 0.0002558400000000, 0.0000865300000000 ] - [ -0.0000978400000000, 0.0006422300000000, -0.0001312600000000 ] - [ 0.0026461900000000, 0.0005336000000000, 0.0011498300000000 ] - [ -0.0019409500000000, 0.0010995300000000, 0.0000516300000000 ] - [ 0.0020443900000000, -0.0001850600000000, 0.0001311100000000 ] - [ -0.0000861600000000, 0.0000124200000000, -0.0002009900000000 ] - [ 0.0000270300000000, 0.0007009100000000, -0.0002959500000000 ] - [ 0.0007913500000000, 0.0001886100000000, 0.0005283300000000 ] - [ 0.0004039300000000, -0.0001359200000000, -0.0001568000000000 ] - [ -0.0003080500000000, 0.0016978700000000, 0.0005150600000000 ] - [ 0.0001113700000000, -0.0002534000000000, -0.0000509700000000 ] - [ -0.0003526500000000, -0.0006890500000000, -0.0001243600000000 ] - [ -0.0003100100000000, 0.0003391400000000, -0.0000904100000000 ] - [ 0.0003269300000000, 0.0015031000000000, 0.0000563700000000 ] - [ -0.0002383500000000, -0.0011483900000000, 0.0002889400000000 ] - [ -0.0001100800000000, -0.0010701000000000, 0.0000703800000000 ] - [ -0.0043021900000000, 0.0000127400000000, -0.0023946000000000 ] - [ 0.0002531700000000, 0.0003921000000000, -0.0000133900000000 ] - [ 0.0004894500000000, -0.0005198500000000, -0.0002397100000000 ] - [ -0.0031514300000000, -0.0000457300000000, -0.0004652500000000 ] - [ -0.0033688600000000, -0.0003857900000000, -0.0003271800000000 ] - [ -0.0009129400000000, -0.0022457500000000, -0.0018360800000000 ] - [ -0.0048063600000000, 0.0000216900000000, -0.0000565900000000 ] - [ -0.0004973200000000, 0.0010347900000000, 0.0001254000000000 ] - [ 0.0000528800000000, 0.0005801200000000, 0.0008032900000000 ] - [ 0.0000969000000000, -0.0004216100000000, -0.0002798500000000 ] - [ 0.0016733400000000, -0.0009733300000000, -0.0004955200000000 ] - [ -0.0001069700000000, 0.0003653800000000, 0.0001162000000000 ] - [ -0.0013745500000000, 0.0009895300000000, 0.0000283500000000 ]- atom: 3 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0001324900000000, -0.0004141300000000, 0.0001466100000000 ] - [ -0.0006538800000000, 0.0001827200000000, 0.0000806800000000 ] - [ 0.0141800600000000, -0.0217132200000000, 0.0087641100000000 ] - [ -0.0001712700000000, 0.0001662500000000, 0.0002374100000000 ] - [ -0.0004376200000000, -0.0002140400000000, 0.0000226700000000 ] - [ 0.0002317200000000, -0.0004509300000000, 0.0002061400000000 ] - [ 0.0002323000000000, 0.0001936300000000, 0.0000544100000000 ] - [ 0.0002883700000000, -0.0003635100000000, 0.0000587200000000 ] - [ -0.0009361300000000, 0.0001859400000000, 0.0000577600000000 ] - [ -0.0002659700000000, -0.0001879200000000, 0.0002410900000000 ] - [ 0.0004174100000000, 0.0008835100000000, 0.0000099100000000 ] - [ -0.0006645100000000, 0.0000705600000000, 0.0000056600000000 ] - [ -0.0011750000000000, 0.0003972500000000, 0.0000294600000000 ] - [ -0.0001294400000000, 0.0001005200000000, 0.0001091800000000 ] - [ -0.0003777600000000, 0.0005248200000000, 0.0002544700000000 ] - [ 0.0002765400000000, 0.0006618800000000, 0.0002411000000000 ] - [ 0.0004253100000000, 0.0021434100000000, 0.0000684300000000 ] - [ -0.0000796300000000, 0.0001821800000000, 0.0001109000000000 ] - [ -0.0002877800000000, 0.0006743500000000, 0.0000161200000000 ] - [ 0.0001929400000000, 0.0006987000000000, 0.0001522800000000 ] - [ 0.0013713400000000, -0.0018074800000000, -0.0001140300000000 ] - [ 0.0002433800000000, 0.0001953200000000, 0.0000258500000000 ] - [ 0.0003590200000000, -0.0009320400000000, 0.0001110400000000 ] - [ -0.0002884400000000, 0.0002611300000000, 0.0000269100000000 ] - [ -0.0027039700000000, 0.0016299300000000, -0.0030671000000000 ] - [ -0.0010125500000000, 0.0018262800000000, 0.0001042700000000 ] - [ -0.0004545100000000, -0.0008400100000000, -0.0001423000000000 ] - [ -0.0002842700000000, 0.0008996900000000, -0.0002261900000000 ] - [ -0.0004544400000000, -0.0003154600000000, 0.0004018200000000 ] - [ -0.0007979600000000, -0.0006849900000000, -0.0000578700000000 ] - [ -0.0016688300000000, 0.0005582700000000, -0.0000428300000000 ] - [ -0.0000149300000000, 0.0009625700000000, 0.0003968900000000 ] - [ 0.0046871400000000, -0.0022699500000000, 0.0022622700000000 ] - [ -0.0014151700000000, 0.0000273700000000, -0.0003673400000000 ] - [ -0.0021189800000000, 0.0076579200000000, -0.0059115600000000 ] - [ 0.0002353200000000, 0.0001402200000000, -0.0000781300000000 ] - [ -0.0004405300000000, -0.0001637700000000, 0.0004030900000000 ] - [ -0.0012842700000000, 0.0023753900000000, 0.0002424900000000 ] - [ 0.0040096200000000, -0.0003641100000000, 0.0023525600000000 ] - [ 0.0012677900000000, 0.0004382400000000, -0.0001209600000000 ] - [ 0.0003168700000000, 0.0007410800000000, -0.0000170600000000 ] - [ -0.0000881300000000, -0.0002249000000000, -0.0002033400000000 ] - [ -0.0001041700000000, 0.0010817100000000, 0.0003665900000000 ] - [ -0.0013102700000000, -0.0034658700000000, 0.0013538100000000 ] - [ -0.0024530800000000, -0.0037839600000000, 0.0023583600000000 ] - [ 0.0003206700000000, 0.0013062100000000, -0.0001582900000000 ] - [ -0.0007032600000000, -0.0001830700000000, 0.0000070000000000 ] - [ 0.0013951600000000, 0.0002007200000000, -0.0002940800000000 ] - [ -0.0002637100000000, -0.0008950800000000, -0.0005768900000000 ] - [ -0.0007112200000000, 0.0019671600000000, 0.0002218500000000 ] - [ 0.0002115000000000, 0.0010305900000000, -0.0007639400000000 ] - [ 0.0009044600000000, -0.0000643800000000, 0.0003470700000000 ] - [ -0.0008821900000000, 0.0013979900000000, -0.0001559700000000 ] - [ -0.0021521200000000, 0.0064063400000000, 0.0071309400000000 ] - [ -0.0013508700000000, 0.0007182300000000, 0.0003485300000000 ] - [ 0.0010964600000000, 0.0005028300000000, -0.0004998900000000 ] - [ 0.0048799600000000, 0.0006594000000000, -0.0021088100000000 ] - [ -0.0007165100000000, 0.0006775400000000, 0.0001966500000000 ] - [ -0.0019824600000000, -0.0035606300000000, -0.0018500300000000 ] - [ -0.0029411000000000, -0.0060838900000000, -0.0033124000000000 ] - [ -0.0006811400000000, 0.0013742100000000, -0.0005508600000000 ] - [ -0.0005953600000000, 0.0009462100000000, -0.0005317900000000 ] - [ 0.0001458500000000, -0.0006636000000000, -0.0005641300000000 ] - [ 0.0003048300000000, -0.0000608600000000, -0.0006865800000000 ] - [ -0.0027170700000000, 0.0008598200000000, 0.0019638200000000 ] - [ -0.0017084900000000, -0.0004093800000000, 0.0002606300000000 ] - [ -0.0013617700000000, -0.0006077100000000, -0.0004550400000000 ] - [ 0.0006635000000000, 0.0011823700000000, 0.0003835100000000 ] - [ 0.0077262200000000, 0.0002622800000000, -0.0037797900000000 ] - [ -0.0007285200000000, 0.0008589900000000, -0.0006766400000000 ] - [ 0.0000146600000000, 0.0003756800000000, 0.0003344300000000 ] - [ -0.0005850600000000, 0.0009090900000000, 0.0001397600000000 ] - [ 0.0008359100000000, 0.0003511200000000, 0.0001103500000000 ] - [ 0.0008110300000000, -0.0006008100000000, 0.0001568800000000 ] - [ 0.0004548300000000, -0.0009284600000000, 0.0001499600000000 ] - [ -0.0004571800000000, -0.0008403300000000, -0.0000311000000000 ] - [ 0.0013729800000000, -0.0021992700000000, -0.0012172600000000 ] - [ 0.0002807500000000, 0.0002610800000000, -0.0000560100000000 ] - [ 0.0004877500000000, 0.0002629400000000, -0.0001702500000000 ] - [ 0.0005908300000000, 0.0005654200000000, -0.0004785700000000 ] - [ -0.0004432000000000, -0.0003622200000000, -0.0000703000000000 ] - [ -0.0029276600000000, 0.0043415600000000, -0.0005194400000000 ] - [ 0.0016110400000000, -0.0016879600000000, -0.0000889600000000 ] - [ -0.0009042000000000, 0.0001313100000000, -0.0003338500000000 ] - [ 0.0006180700000000, -0.0003152500000000, 0.0000985700000000 ] - [ -0.0026701700000000, -0.0009165900000000, 0.0020310700000000 ] - [ 0.0000355800000000, -0.0001773900000000, -0.0001476300000000 ] - [ 0.0000948100000000, 0.0003320800000000, -0.0000576200000000 ] - [ -0.0025818600000000, -0.0006865400000000, 0.0000996900000000 ] - [ 0.0003942000000000, 0.0002036200000000, -0.0002154300000000 ] - [ 0.0004765400000000, -0.0001879000000000, -0.0000689000000000 ] - [ -0.0000292100000000, -0.0006680700000000, 0.0001354100000000 ] - [ 0.0006714200000000, 0.0007284500000000, -0.0001321300000000 ] - [ 0.0009710200000000, -0.0004817500000000, -0.0000966700000000 ] - [ -0.0000995400000000, -0.0000544800000000, 0.0007838800000000 ] - [ 0.0017340900000000, 0.0006729400000000, 0.0018757200000000 ] - [ -0.0008615000000000, 0.0000872800000000, -0.0002952200000000 ] - [ 0.0007375300000000, -0.0001480200000000, -0.0001065600000000 ] - [ 0.0002242200000000, -0.0007979200000000, -0.0001740200000000 ] - [ 0.0004512400000000, -0.0010195000000000, -0.0000956700000000 ] - [ 0.0003579300000000, -0.0003126300000000, 0.0000286700000000 ] - [ 0.0000779700000000, 0.0005101000000000, 0.0001444900000000 ] - [ 0.0003676500000000, -0.0007749000000000, 0.0000977900000000 ] - [ -0.0000128900000000, -0.0008452100000000, 0.0000808200000000 ] - [ 0.0000830600000000, 0.0002545700000000, 0.0000227800000000 ] - [ 0.0002931700000000, -0.0006672400000000, 0.0001396100000000 ] - [ 0.0017469400000000, 0.0019052500000000, 0.0005586500000000 ] - [ -0.0021519500000000, 0.0031089200000000, 0.0004621400000000 ] - [ 0.0001025500000000, -0.0010739100000000, 0.0000100900000000 ] - [ 0.0010067000000000, 0.0011680500000000, -0.0018975500000000 ] - [ 0.0000137600000000, -0.0003699000000000, -0.0000790100000000 ] - [ 0.0001555500000000, 0.0001863600000000, 0.0000360600000000 ] - [ 0.0004330500000000, -0.0004394500000000, 0.0000524700000000 ] - [ 0.0004005600000000, -0.0010753500000000, 0.0001717800000000 ] - [ 0.0000833900000000, 0.0005844500000000, 0.0001079400000000 ] - [ -0.0004282300000000, 0.0000084500000000, 0.0001227300000000 ] - [ -0.0016559300000000, 0.0018969900000000, 0.0001329200000000 ] - [ 0.0005427000000000, -0.0000814100000000, 0.0000477300000000 ] - [ 0.0007139300000000, 0.0003177700000000, -0.0000550600000000 ] - [ 0.0003785600000000, 0.0002693800000000, 0.0008407800000000 ] - [ 0.0009246200000000, -0.0005995300000000, -0.0000387200000000 ] - [ 0.0003089800000000, -0.0001713500000000, -0.0000055200000000 ] - [ 0.0004904100000000, 0.0001047300000000, -0.0002430900000000 ] - [ 0.0001583900000000, 0.0001966500000000, -0.0002028000000000 ] - [ -0.0002560300000000, -0.0005529600000000, 0.0008356600000000 ] - [ 0.0008452200000000, 0.0002289200000000, 0.0000836200000000 ] - [ -0.0005361200000000, -0.0008144500000000, 0.0000700200000000 ] - [ -0.0000020800000000, -0.0002647600000000, -0.0000069000000000 ] - [ 0.0000898400000000, 0.0003680300000000, 0.0001289700000000 ] - [ -0.0021798700000000, 0.0039040000000000, -0.0002454800000000 ] - [ 0.0006546200000000, -0.0008225600000000, -0.0002749300000000 ] - [ 0.0000344200000000, -0.0000722100000000, -0.0001874000000000 ] - [ 0.0006155800000000, -0.0004329300000000, 0.0005741200000000 ] - [ 0.0012747000000000, 0.0006612500000000, -0.0001450600000000 ] - [ -0.0001701800000000, -0.0003048200000000, -0.0000547900000000 ] - [ 0.0001306700000000, -0.0006308600000000, -0.0000668000000000 ] - [ -0.0021147100000000, 0.0024972500000000, 0.0000888600000000 ] - [ -0.0003318900000000, -0.0003937600000000, 0.0000197800000000 ] - [ 0.0002981900000000, -0.0002734500000000, 0.0008094700000000 ] - [ 0.0004041700000000, 0.0003202100000000, 0.0000927300000000 ] - [ -0.0005946400000000, -0.0000175200000000, -0.0001720400000000 ] - [ 0.0010085800000000, 0.0010079200000000, 0.0006292100000000 ] - [ -0.0020454800000000, 0.0007827900000000, 0.0008778800000000 ] - [ 0.0007908300000000, 0.0008154800000000, -0.0000258600000000 ] - [ -0.0002111600000000, -0.0004919100000000, -0.0002157700000000 ] - [ -0.0008515600000000, -0.0008853600000000, 0.0003701200000000 ] - [ 0.0003184500000000, 0.0016534400000000, 0.0003377000000000 ] - [ 0.0004481300000000, -0.0001050700000000, -0.0001328800000000 ] - [ -0.0013968300000000, 0.0000613600000000, -0.0001079900000000 ] - [ 0.0002734100000000, -0.0005505000000000, -0.0000557100000000 ] - [ -0.0001536000000000, -0.0011543100000000, -0.0001344400000000 ] - [ -0.0003140200000000, -0.0005599900000000, -0.0002486200000000 ] - [ -0.0005556800000000, 0.0001010300000000, -0.0002543400000000 ] - [ 0.0008352600000000, -0.0020572000000000, 0.0008150100000000 ] - [ 0.0013401600000000, -0.0017135900000000, 0.0001241500000000 ] - [ -0.0023550800000000, 0.0038225100000000, -0.0003529700000000 ] - [ -0.0006098300000000, -0.0001147700000000, 0.0001173700000000 ] - [ 0.0009638400000000, -0.0006002500000000, -0.0003340900000000 ] - [ -0.0020778100000000, -0.0010556800000000, -0.0016065800000000 ] - [ -0.0003372300000000, -0.0012916600000000, -0.0028903800000000 ] - [ 0.0013705600000000, 0.0004812500000000, -0.0033383200000000 ] - [ -0.0029157100000000, 0.0044494700000000, -0.0026510800000000 ] - [ -0.0005496900000000, 0.0001066500000000, 0.0000135100000000 ] - [ -0.0004846000000000, -0.0001779100000000, 0.0007618500000000 ] - [ -0.0003128300000000, -0.0012372700000000, -0.0004560700000000 ] - [ 0.0012415700000000, -0.0004921200000000, -0.0004297000000000 ] - [ 0.0000089300000000, -0.0000101200000000, 0.0000996600000000 ] - [ -0.0022373100000000, -0.0009212400000000, 0.0006234700000000 ]- atom: 3 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0001797300000000, 0.0004454300000000, 0.0000804500000000 ] - [ 0.0006512600000000, -0.0001840200000000, 0.0000428700000000 ] - [ -0.0139188100000000, 0.0214541900000000, -0.0085731800000000 ] - [ 0.0000587100000000, -0.0003140400000000, 0.0002213100000000 ] - [ 0.0001445300000000, 0.0000084200000000, 0.0000111400000000 ] - [ -0.0000444000000000, 0.0004294400000000, 0.0002536100000000 ] - [ -0.0002315800000000, -0.0001920800000000, 0.0000529000000000 ] - [ -0.0002421500000000, 0.0003289300000000, 0.0001679600000000 ] - [ 0.0009388200000000, -0.0001844900000000, 0.0000488000000000 ] - [ 0.0003382100000000, 0.0000194700000000, 0.0002188100000000 ] - [ -0.0001232600000000, -0.0006759500000000, 0.0000235900000000 ] - [ 0.0006654600000000, -0.0000680500000000, 0.0000480200000000 ] - [ 0.0011699600000000, -0.0003946600000000, 0.0000936300000000 ] - [ 0.0000789700000000, -0.0001230000000000, 0.0001173900000000 ] - [ 0.0001930900000000, -0.0005024500000000, 0.0002052400000000 ] - [ -0.0003478100000000, -0.0004922300000000, 0.0002192900000000 ] - [ -0.0004361000000000, -0.0022128000000000, 0.0001578100000000 ] - [ 0.0001312700000000, -0.0001587800000000, 0.0001156700000000 ] - [ 0.0002547400000000, -0.0003162900000000, 0.0000182500000000 ] - [ -0.0001894300000000, -0.0006409600000000, 0.0000737900000000 ] - [ -0.0010439800000000, 0.0016480100000000, 0.0001515300000000 ] - [ -0.0002443200000000, -0.0001959000000000, 0.0000273200000000 ] - [ -0.0003187800000000, 0.0005776400000000, -0.0000769800000000 ] - [ -0.0000386700000000, -0.0001089000000000, 0.0000084100000000 ] - [ 0.0025611900000000, -0.0029163200000000, 0.0026020400000000 ] - [ 0.0007469300000000, -0.0014713500000000, -0.0001513700000000 ] - [ 0.0017576600000000, -0.0002596700000000, 0.0000331600000000 ] - [ 0.0014554300000000, -0.0003663900000000, -0.0002725800000000 ] - [ 0.0004386500000000, 0.0003607500000000, 0.0004003700000000 ] - [ 0.0004887300000000, -0.0009791700000000, -0.0000501000000000 ] - [ 0.0000662400000000, -0.0011283200000000, -0.0000607800000000 ] - [ 0.0000331700000000, -0.0010060400000000, 0.0004055700000000 ] - [ -0.0047476100000000, 0.0023153600000000, -0.0014496800000000 ] - [ 0.0003628500000000, 0.0007313600000000, -0.0001317700000000 ] - [ 0.0024000500000000, -0.0059125300000000, 0.0057428700000000 ] - [ -0.0006676400000000, -0.0002039600000000, 0.0000365600000000 ] - [ 0.0004600300000000, 0.0002044900000000, 0.0003964000000000 ] - [ -0.0000193100000000, -0.0012747000000000, -0.0003501700000000 ] - [ -0.0040077300000000, 0.0003070800000000, -0.0015477200000000 ] - [ -0.0010005200000000, -0.0007907200000000, 0.0000752900000000 ] - [ -0.0001374500000000, -0.0003235600000000, -0.0000196100000000 ] - [ -0.0010795300000000, -0.0003052200000000, -0.0002952100000000 ] - [ 0.0001518600000000, -0.0010940500000000, 0.0004371900000000 ] - [ 0.0029082800000000, 0.0040055900000000, -0.0014507500000000 ] - [ 0.0028715800000000, 0.0038564600000000, -0.0023894400000000 ] - [ -0.0001860000000000, -0.0000260100000000, -0.0003435200000000 ] - [ 0.0005258500000000, -0.0002315000000000, -0.0000438100000000 ] - [ -0.0003446000000000, -0.0009573100000000, -0.0002040100000000 ] - [ 0.0005332900000000, -0.0001401500000000, -0.0005588200000000 ] - [ 0.0023810600000000, -0.0015929600000000, 0.0004523000000000 ] - [ -0.0004321700000000, -0.0004001600000000, -0.0005092100000000 ] - [ 0.0002684100000000, -0.0011774800000000, 0.0003226000000000 ] - [ 0.0015407200000000, -0.0019523200000000, 0.0005146700000000 ] - [ 0.0019558700000000, -0.0071564700000000, -0.0067264800000000 ] - [ 0.0001800100000000, 0.0005269700000000, 0.0003215600000000 ] - [ -0.0003783500000000, -0.0006215900000000, -0.0007659500000000 ] - [ -0.0051316700000000, 0.0003641200000000, 0.0009711200000000 ] - [ 0.0008756000000000, 0.0001490000000000, 0.0001537100000000 ] - [ 0.0012246600000000, 0.0032197100000000, 0.0021947100000000 ] - [ 0.0024289000000000, 0.0044831800000000, 0.0039668700000000 ] - [ -0.0003732200000000, -0.0010921700000000, -0.0005870300000000 ] - [ -0.0001497300000000, -0.0017171200000000, -0.0006048800000000 ] - [ 0.0009110000000000, 0.0003840600000000, -0.0005735300000000 ] - [ -0.0007185000000000, -0.0005075100000000, -0.0005841200000000 ] - [ 0.0029366600000000, -0.0014840000000000, -0.0032649200000000 ] - [ 0.0010449900000000, 0.0009639100000000, 0.0000990000000000 ] - [ 0.0006413500000000, 0.0007250000000000, -0.0008102800000000 ] - [ -0.0001635900000000, 0.0004452300000000, 0.0002878300000000 ] - [ -0.0069870200000000, 0.0005296200000000, 0.0026457000000000 ] - [ 0.0011461200000000, -0.0002866600000000, -0.0005939200000000 ] - [ -0.0016778200000000, -0.0007465200000000, 0.0003400200000000 ] - [ 0.0013608200000000, -0.0006207400000000, 0.0002089400000000 ] - [ -0.0002202500000000, -0.0000538400000000, 0.0000692500000000 ] - [ -0.0000839300000000, 0.0009522900000000, 0.0001058700000000 ] - [ 0.0004088900000000, 0.0011869100000000, 0.0001157100000000 ] - [ -0.0003274200000000, 0.0012980400000000, 0.0001103100000000 ] - [ -0.0012013000000000, 0.0020396200000000, 0.0011749600000000 ] - [ -0.0000959900000000, 0.0000215900000000, -0.0000637900000000 ] - [ -0.0004240900000000, 0.0002270400000000, -0.0001660100000000 ] - [ -0.0016805500000000, -0.0006044200000000, 0.0004743600000000 ] - [ -0.0002662800000000, 0.0006134500000000, 0.0000178100000000 ] - [ 0.0021562400000000, -0.0035358100000000, 0.0007231800000000 ] - [ -0.0009949800000000, 0.0007084000000000, 0.0001170900000000 ] - [ -0.0004940700000000, 0.0007653000000000, -0.0003803100000000 ] - [ -0.0000520300000000, -0.0000705000000000, 0.0000782900000000 ] - [ 0.0026405400000000, 0.0018313900000000, -0.0019383500000000 ] - [ 0.0010575700000000, 0.0002160200000000, 0.0001458200000000 ] - [ -0.0002522700000000, -0.0000302600000000, -0.0000623400000000 ] - [ 0.0023849300000000, 0.0004120400000000, -0.0002188800000000 ] - [ -0.0003042900000000, 0.0001641600000000, -0.0002145900000000 ] - [ -0.0004241900000000, 0.0004081700000000, 0.0000273200000000 ] - [ 0.0002485800000000, 0.0001714300000000, -0.0000479600000000 ] - [ -0.0001374400000000, -0.0005490300000000, -0.0000026700000000 ] - [ -0.0007478800000000, 0.0005432600000000, 0.0000529600000000 ] - [ 0.0002536400000000, 0.0000819600000000, 0.0008340800000000 ] - [ -0.0017720600000000, -0.0008808600000000, -0.0018972000000000 ] - [ 0.0004735500000000, 0.0002069800000000, -0.0000352200000000 ] - [ -0.0003103600000000, -0.0002301000000000, -0.0000269400000000 ] - [ -0.0016976600000000, 0.0000393300000000, -0.0005383700000000 ] - [ -0.0005635800000000, 0.0004661200000000, -0.0000443000000000 ] - [ -0.0004747400000000, 0.0010285100000000, -0.0000710400000000 ] - [ 0.0001353300000000, 0.0003643200000000, 0.0001229500000000 ] - [ -0.0004174900000000, 0.0000931700000000, 0.0000775700000000 ] - [ -0.0006019500000000, 0.0005482300000000, 0.0000983600000000 ] - [ -0.0006470800000000, -0.0007402300000000, -0.0000724700000000 ] - [ 0.0003588300000000, 0.0000490800000000, 0.0001238700000000 ] - [ -0.0016722400000000, -0.0002609200000000, -0.0012776400000000 ] - [ 0.0018501000000000, -0.0035482000000000, -0.0003701200000000 ] - [ -0.0009000500000000, 0.0006269500000000, 0.0000730300000000 ] - [ -0.0014549100000000, -0.0013796200000000, 0.0015617000000000 ] - [ 0.0004425400000000, 0.0005639900000000, -0.0002574800000000 ] - [ 0.0001552800000000, 0.0002640400000000, 0.0000479600000000 ] - [ -0.0004221500000000, -0.0004712400000000, 0.0000261600000000 ] - [ 0.0001446300000000, 0.0010268600000000, -0.0000857300000000 ] - [ -0.0007493000000000, -0.0001438300000000, 0.0001509300000000 ] - [ -0.0003005600000000, -0.0003607700000000, 0.0001400200000000 ] - [ 0.0014421400000000, -0.0027598900000000, 0.0001319400000000 ] - [ -0.0007106300000000, 0.0002372100000000, -0.0000895800000000 ] - [ -0.0001795000000000, 0.0006605700000000, 0.0000556200000000 ] - [ -0.0002678200000000, -0.0003966900000000, 0.0007834600000000 ] - [ -0.0005792300000000, 0.0005354800000000, -0.0002271300000000 ] - [ -0.0003774500000000, 0.0000576200000000, 0.0000212800000000 ] - [ -0.0005847600000000, 0.0001898000000000, -0.0000407400000000 ] - [ 0.0013100600000000, 0.0005592900000000, -0.0005086100000000 ] - [ 0.0002024500000000, 0.0004032900000000, 0.0007792500000000 ] - [ -0.0000604000000000, -0.0006881900000000, -0.0000040700000000 ] - [ 0.0000001700000000, -0.0001680900000000, -0.0000681800000000 ] - [ 0.0001188800000000, -0.0004520500000000, -0.0000355300000000 ] - [ -0.0007442600000000, 0.0002474000000000, 0.0001342000000000 ] - [ 0.0029671400000000, -0.0034562400000000, 0.0003427500000000 ] - [ -0.0003772100000000, 0.0005600600000000, -0.0001565000000000 ] - [ 0.0003300000000000, 0.0001814900000000, -0.0002406800000000 ] - [ -0.0005568400000000, 0.0005801500000000, 0.0010426800000000 ] - [ -0.0014938200000000, -0.0007182700000000, 0.0000997100000000 ] - [ 0.0002369300000000, 0.0004149300000000, 0.0000700200000000 ] - [ 0.0000257400000000, 0.0003280000000000, -0.0000532600000000 ] - [ 0.0018550700000000, -0.0025905100000000, -0.0005133300000000 ] - [ 0.0004074700000000, 0.0002659300000000, -0.0000029700000000 ] - [ -0.0004535300000000, 0.0002446500000000, 0.0008084900000000 ] - [ -0.0006258000000000, 0.0001753700000000, -0.0000055700000000 ] - [ 0.0003150200000000, 0.0002781900000000, -0.0002606900000000 ] - [ -0.0008690500000000, -0.0010120500000000, -0.0006087100000000 ] - [ 0.0017073000000000, -0.0007730600000000, -0.0009975500000000 ] - [ -0.0011417600000000, -0.0007438600000000, -0.0002372700000000 ] - [ 0.0001200300000000, 0.0001222600000000, -0.0002149600000000 ] - [ 0.0015163900000000, 0.0004459200000000, -0.0001116200000000 ] - [ -0.0002720500000000, -0.0009597300000000, -0.0001671300000000 ] - [ -0.0002352600000000, 0.0003588700000000, -0.0001373200000000 ] - [ 0.0008509900000000, -0.0000212900000000, 0.0001933100000000 ] - [ 0.0000659300000000, 0.0005361500000000, -0.0000660200000000 ] - [ -0.0003806800000000, 0.0009751100000000, 0.0000000500000000 ] - [ 0.0002496800000000, 0.0000692600000000, -0.0000876600000000 ] - [ 0.0011192000000000, 0.0003893300000000, 0.0002037900000000 ] - [ -0.0007379100000000, 0.0017589000000000, -0.0010967500000000 ] - [ -0.0014170500000000, 0.0018434600000000, -0.0001142900000000 ] - [ 0.0024623700000000, -0.0032608700000000, 0.0002110300000000 ] - [ 0.0004768500000000, 0.0001183000000000, -0.0001012300000000 ] - [ -0.0005794100000000, 0.0003034400000000, 0.0000036900000000 ] - [ 0.0016408500000000, 0.0014260100000000, 0.0014609600000000 ] - [ 0.0010667600000000, 0.0010182500000000, 0.0028374600000000 ] - [ -0.0015781200000000, -0.0007139100000000, 0.0030413800000000 ] - [ 0.0029010300000000, -0.0054276200000000, 0.0031241600000000 ] - [ -0.0000669900000000, 0.0008702900000000, 0.0000069900000000 ] - [ 0.0003744000000000, 0.0003057000000000, 0.0008621700000000 ] - [ 0.0002305400000000, -0.0004179800000000, -0.0002571800000000 ] - [ 0.0001548700000000, -0.0004076000000000, -0.0002830800000000 ] - [ 0.0000239200000000, 0.0008139400000000, 0.0001612500000000 ] - [ 0.0013762800000000, 0.0006581300000000, -0.0003625900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000219200000000, 0.0000632900000000, -0.0000836200000000 ] - [ -0.0000435500000000, -0.0000182700000000, 0.0004479700000000 ] - [ -0.0073949200000000, 0.0059154100000000, -0.0214472400000000 ] - [ -0.0000487100000000, -0.0000791700000000, 0.0002596200000000 ] - [ -0.0001303900000000, -0.0000993400000000, 0.0000776600000000 ] - [ 0.0000563000000000, 0.0000220800000000, 0.0006005400000000 ] - [ -0.0000061200000000, -0.0000037700000000, 0.0001122900000000 ] - [ 0.0000583300000000, 0.0000388800000000, 0.0004677200000000 ] - [ 0.0000404800000000, -0.0000580400000000, -0.0002718800000000 ] - [ 0.0000608700000000, -0.0000788700000000, 0.0001818200000000 ] - [ 0.0001501100000000, 0.0000867500000000, -0.0001873000000000 ] - [ -0.0000857100000000, 0.0000051900000000, 0.0003876900000000 ] - [ 0.0000275700000000, -0.0000597600000000, -0.0002883200000000 ] - [ -0.0000250400000000, -0.0000138000000000, 0.0001451600000000 ] - [ -0.0000878100000000, -0.0000047500000000, 0.0001817700000000 ] - [ -0.0000126900000000, 0.0000177100000000, 0.0006003000000000 ] - [ 0.0000184200000000, -0.0001094400000000, -0.0007827900000000 ] - [ 0.0000252000000000, 0.0000076900000000, 0.0000851800000000 ] - [ -0.0000136700000000, 0.0001715900000000, 0.0000775300000000 ] - [ 0.0000472700000000, 0.0000526000000000, 0.0004956300000000 ] - [ 0.0001994400000000, -0.0000993800000000, 0.0044495800000000 ] - [ -0.0000094800000000, -0.0000101300000000, -0.0000329200000000 ] - [ 0.0000444200000000, -0.0000616500000000, -0.0008431200000000 ] - [ -0.0001522300000000, 0.0000699400000000, -0.0000126200000000 ] - [ 0.0032640200000000, -0.0038000000000000, 0.0029194400000000 ] - [ -0.0004477500000000, 0.0007868900000000, -0.0003000900000000 ] - [ 0.0014990300000000, -0.0007039300000000, -0.0003006400000000 ] - [ 0.0007026000000000, 0.0002243200000000, -0.0001783800000000 ] - [ -0.0000860000000000, -0.0000237400000000, 0.0002905000000000 ] - [ -0.0001673200000000, -0.0007572400000000, 0.0000242000000000 ] - [ -0.0007315300000000, -0.0003424300000000, -0.0001505200000000 ] - [ -0.0000171600000000, -0.0000833900000000, 0.0004603700000000 ] - [ 0.0022756900000000, 0.0051476700000000, 0.0058774700000000 ] - [ -0.0000113200000000, 0.0003935500000000, 0.0001101400000000 ] - [ 0.0021684800000000, -0.0036940200000000, -0.0012547300000000 ] - [ -0.0001794000000000, -0.0000423800000000, 0.0000381800000000 ] - [ 0.0000137000000000, -0.0000062600000000, 0.0004636000000000 ] - [ -0.0007772500000000, 0.0009375100000000, 0.0002984800000000 ] - [ 0.0010023400000000, 0.0031341600000000, -0.0008676000000000 ] - [ -0.0005490700000000, -0.0008737900000000, 0.0004060500000000 ] - [ 0.0000577900000000, 0.0002250000000000, 0.0000634200000000 ] - [ -0.0004804300000000, -0.0002476500000000, -0.0003404500000000 ] - [ 0.0000071000000000, -0.0001253400000000, 0.0003135000000000 ] - [ -0.0031618900000000, 0.0009249600000000, 0.0031416600000000 ] - [ -0.0041008600000000, -0.0006238600000000, -0.0013777100000000 ] - [ 0.0000497200000000, 0.0007527900000000, -0.0004090500000000 ] - [ -0.0001057000000000, -0.0001998600000000, -0.0000942800000000 ] - [ 0.0002383800000000, -0.0006606500000000, -0.0004456400000000 ] - [ 0.0001965900000000, -0.0004391000000000, -0.0004851700000000 ] - [ 0.0014142500000000, -0.0003914600000000, 0.0000868000000000 ] - [ -0.0000288700000000, 0.0001539200000000, -0.0007909100000000 ] - [ 0.0006052900000000, -0.0006788000000000, 0.0004149500000000 ] - [ 0.0005358900000000, -0.0006975400000000, 0.0005589000000000 ] - [ -0.0015472600000000, 0.0044257500000000, -0.0021043300000000 ] - [ -0.0004794900000000, 0.0005637600000000, 0.0002146500000000 ] - [ 0.0005252800000000, 0.0002582000000000, -0.0009470100000000 ] - [ -0.0026377400000000, -0.0019447000000000, -0.0020156000000000 ] - [ 0.0002479400000000, 0.0002669900000000, 0.0002514100000000 ] - [ 0.0054121300000000, -0.0020372000000000, 0.0040403700000000 ] - [ 0.0052405100000000, -0.0009977400000000, -0.0016173500000000 ] - [ -0.0005016400000000, 0.0001856300000000, -0.0004782800000000 ] - [ -0.0003254100000000, -0.0002470200000000, -0.0007106000000000 ] - [ 0.0006247700000000, 0.0000099800000000, -0.0006947300000000 ] - [ -0.0004264700000000, -0.0003634900000000, -0.0007086700000000 ] - [ -0.0025550500000000, 0.0031196600000000, 0.0025188000000000 ] - [ -0.0010478900000000, 0.0002565600000000, -0.0001587100000000 ] - [ -0.0007065600000000, -0.0000478900000000, -0.0002547000000000 ] - [ 0.0001741000000000, 0.0007981500000000, 0.0003965400000000 ] - [ -0.0035415500000000, -0.0053467400000000, 0.0058323700000000 ] - [ 0.0000905200000000, 0.0002592100000000, -0.0005616900000000 ] - [ -0.0004219300000000, 0.0005980100000000, 0.0010048600000000 ] - [ 0.0003482400000000, 0.0001437800000000, 0.0000887400000000 ] - [ 0.0002792700000000, 0.0001659500000000, 0.0005281100000000 ] - [ 0.0003372700000000, 0.0001893200000000, 0.0001216800000000 ] - [ 0.0004357300000000, -0.0001275000000000, 0.0001652600000000 ] - [ -0.0004071300000000, 0.0000936000000000, 0.0000093200000000 ] - [ 0.0004780100000000, -0.0009079100000000, 0.0003585400000000 ] - [ 0.0000782900000000, 0.0001311300000000, -0.0001471700000000 ] - [ 0.0001042700000000, 0.0002324200000000, -0.0002223600000000 ] - [ 0.0000801100000000, 0.0000536500000000, 0.0001928900000000 ] - [ -0.0003805800000000, 0.0001982900000000, -0.0000203700000000 ] - [ -0.0004751200000000, 0.0005984500000000, 0.0036797700000000 ] - [ 0.0012284400000000, -0.0015142300000000, 0.0001682900000000 ] - [ -0.0006801200000000, 0.0005541400000000, -0.0003501800000000 ] - [ 0.0002514200000000, -0.0001711200000000, -0.0000153300000000 ] - [ 0.0009341400000000, 0.0030365700000000, -0.0004881200000000 ] - [ 0.0004704300000000, -0.0000468400000000, 0.0000030100000000 ] - [ -0.0000862400000000, 0.0001294000000000, 0.0000750400000000 ] - [ 0.0001500400000000, -0.0000715000000000, 0.0021660200000000 ] - [ 0.0000247800000000, 0.0001886500000000, -0.0001169000000000 ] - [ 0.0000433900000000, 0.0000934800000000, -0.0000098200000000 ] - [ 0.0001143800000000, -0.0002105300000000, 0.0000338100000000 ] - [ 0.0004981800000000, 0.0001573300000000, -0.0000383300000000 ] - [ -0.0000221100000000, 0.0001436500000000, -0.0000561300000000 ] - [ 0.0001100600000000, 0.0000266600000000, 0.0009291300000000 ] - [ -0.0014801200000000, 0.0013809700000000, -0.0007066600000000 ] - [ 0.0001444800000000, 0.0002955200000000, -0.0000932300000000 ] - [ 0.0001396400000000, -0.0001708300000000, -0.0000708300000000 ] - [ -0.0009938800000000, -0.0002672600000000, -0.0004117500000000 ] - [ -0.0000539400000000, -0.0002414700000000, -0.0000553500000000 ] - [ -0.0000294900000000, 0.0003731600000000, -0.0000240800000000 ] - [ 0.0000776000000000, 0.0004156000000000, 0.0001196200000000 ] - [ -0.0000269800000000, -0.0003290100000000, 0.0001831600000000 ] - [ -0.0003154400000000, -0.0001272600000000, -0.0002443300000000 ] - [ -0.0001902000000000, -0.0001785900000000, -0.0000596300000000 ] - [ 0.0003261300000000, -0.0003214000000000, 0.0001163600000000 ] - [ -0.0017604000000000, 0.0012456400000000, -0.0007655100000000 ] - [ -0.0025877200000000, -0.0017142900000000, -0.0002817000000000 ] - [ -0.0004085000000000, -0.0002434400000000, 0.0000583900000000 ] - [ 0.0022673000000000, -0.0013811400000000, -0.0019074100000000 ] - [ 0.0002123000000000, 0.0001476400000000, -0.0001467100000000 ] - [ 0.0001708900000000, 0.0002312800000000, 0.0000351700000000 ] - [ -0.0000191600000000, -0.0004847400000000, 0.0000316100000000 ] - [ 0.0002165100000000, 0.0002206300000000, 0.0000382100000000 ] - [ -0.0004696700000000, 0.0001388400000000, 0.0000915600000000 ] - [ -0.0004114700000000, -0.0002163400000000, 0.0001404900000000 ] - [ 0.0009449500000000, 0.0002445800000000, 0.0002136100000000 ] - [ -0.0003535400000000, 0.0002819800000000, -0.0000743100000000 ] - [ 0.0003092000000000, 0.0004937200000000, 0.0000155700000000 ] - [ 0.0000301900000000, -0.0000564600000000, 0.0004712700000000 ] - [ 0.0002431800000000, -0.0000838400000000, -0.0001714900000000 ] - [ -0.0000721700000000, -0.0000321900000000, 0.0000249400000000 ] - [ 0.0001351300000000, 0.0000695400000000, -0.0001774800000000 ] - [ 0.0005369700000000, 0.0002102600000000, -0.0003617800000000 ] - [ -0.0000346900000000, -0.0000540000000000, 0.0009589900000000 ] - [ 0.0001477000000000, -0.0003620400000000, 0.0000410100000000 ] - [ -0.0002154700000000, -0.0004440000000000, -0.0000249500000000 ] - [ 0.0001244700000000, -0.0003485100000000, -0.0000157800000000 ] - [ -0.0003708200000000, 0.0002752800000000, 0.0001487300000000 ] - [ 0.0032323100000000, 0.0012120100000000, -0.0012570500000000 ] - [ 0.0000799400000000, -0.0001051500000000, 0.0001917800000000 ] - [ 0.0001914200000000, 0.0000610900000000, -0.0002896000000000 ] - [ -0.0000701300000000, -0.0001365100000000, -0.0019004000000000 ] - [ 0.0010081100000000, -0.0002130500000000, 0.0000549500000000 ] - [ 0.0000103000000000, 0.0000643400000000, -0.0000044800000000 ] - [ 0.0000795100000000, -0.0001452600000000, -0.0001482000000000 ] - [ -0.0004762000000000, -0.0000081000000000, 0.0033283600000000 ] - [ 0.0000259700000000, -0.0003715500000000, -0.0000728100000000 ] - [ -0.0000775200000000, -0.0000034300000000, 0.0007151100000000 ] - [ -0.0001249100000000, 0.0002580400000000, 0.0000587700000000 ] - [ -0.0001001600000000, 0.0001267800000000, -0.0008458100000000 ] - [ -0.0009017100000000, 0.0000149600000000, 0.0003388100000000 ] - [ 0.0001042700000000, 0.0000273500000000, -0.0043120700000000 ] - [ -0.0021351900000000, 0.0002580400000000, 0.0000926600000000 ] - [ -0.0000385800000000, -0.0001682500000000, -0.0002987900000000 ] - [ 0.0009004600000000, 0.0005249200000000, 0.0002875000000000 ] - [ -0.0003946800000000, 0.0004938000000000, -0.0028470100000000 ] - [ 0.0000660000000000, 0.0001763900000000, -0.0001149100000000 ] - [ -0.0010521700000000, -0.0013647600000000, -0.0003384000000000 ] - [ 0.0001618400000000, -0.0000053300000000, 0.0000732300000000 ] - [ -0.0002733100000000, 0.0000535600000000, -0.0001092000000000 ] - [ -0.0000204300000000, -0.0003732700000000, -0.0001245600000000 ] - [ -0.0000157500000000, -0.0004298700000000, 0.0001437200000000 ] - [ -0.0002665300000000, 0.0004441700000000, 0.0000280900000000 ] - [ -0.0009282500000000, 0.0011672200000000, 0.0001504900000000 ] - [ 0.0019845000000000, 0.0015606000000000, 0.0039029700000000 ] - [ 0.0000774600000000, 0.0000529100000000, -0.0000277400000000 ] - [ 0.0003526200000000, -0.0002433200000000, -0.0001997200000000 ] - [ -0.0002379500000000, -0.0010753900000000, 0.0001529800000000 ] - [ 0.0014405700000000, -0.0028902500000000, -0.0015301700000000 ] - [ 0.0018562300000000, -0.0025440300000000, -0.0014545800000000 ] - [ 0.0005948400000000, -0.0039107200000000, 0.0048079100000000 ] - [ -0.0002744600000000, 0.0007554400000000, 0.0000023900000000 ] - [ -0.0000292000000000, 0.0000683200000000, 0.0010838400000000 ] - [ -0.0000336700000000, -0.0008461600000000, -0.0003370400000000 ] - [ 0.0005213500000000, -0.0003509200000000, -0.0003743900000000 ] - [ 0.0000041200000000, 0.0003558500000000, 0.0001561900000000 ] - [ 0.0006041700000000, 0.0016536400000000, -0.0002338700000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000266500000000, -0.0000314800000000, 0.0003107700000000 ] - [ 0.0000421700000000, 0.0000191800000000, -0.0003245300000000 ] - [ 0.0077576900000000, -0.0053579800000000, 0.0219250900000000 ] - [ -0.0000632700000000, -0.0000693200000000, 0.0001990200000000 ] - [ -0.0001628300000000, -0.0001060600000000, -0.0000438500000000 ] - [ 0.0001277100000000, -0.0000441900000000, -0.0001404600000000 ] - [ 0.0000060800000000, 0.0000038900000000, -0.0000052300000000 ] - [ -0.0000115300000000, -0.0000716200000000, -0.0002410900000000 ] - [ -0.0000426200000000, 0.0000598500000000, 0.0003788800000000 ] - [ 0.0000117600000000, -0.0000897700000000, 0.0002781800000000 ] - [ 0.0001424600000000, 0.0001167100000000, 0.0002211800000000 ] - [ 0.0000885800000000, -0.0000040300000000, -0.0003347400000000 ] - [ -0.0000239000000000, 0.0000603100000000, 0.0004128400000000 ] - [ -0.0000261900000000, -0.0000093300000000, 0.0000814100000000 ] - [ -0.0000970400000000, 0.0000261700000000, 0.0002780600000000 ] - [ -0.0000603700000000, 0.0001516200000000, -0.0001406800000000 ] - [ -0.0000231200000000, 0.0000567900000000, 0.0010093900000000 ] - [ 0.0000256400000000, 0.0000148800000000, 0.0001413800000000 ] - [ -0.0000190700000000, 0.0001856400000000, -0.0000432700000000 ] - [ -0.0000419800000000, 0.0000021900000000, -0.0002701800000000 ] - [ 0.0001341800000000, -0.0000411100000000, -0.0044143300000000 ] - [ 0.0000080600000000, 0.0000081900000000, 0.0000860900000000 ] - [ -0.0000092400000000, -0.0002943900000000, 0.0008776700000000 ] - [ -0.0001743900000000, 0.0000820000000000, 0.0000481400000000 ] - [ -0.0033903300000000, 0.0025008800000000, -0.0034196200000000 ] - [ 0.0001827500000000, -0.0004312100000000, 0.0002549500000000 ] - [ -0.0001990600000000, -0.0003916400000000, 0.0001925100000000 ] - [ 0.0004676100000000, 0.0003072900000000, -0.0003208200000000 ] - [ 0.0000680700000000, 0.0000690000000000, 0.0005119300000000 ] - [ -0.0001403200000000, -0.0009048400000000, -0.0001327800000000 ] - [ -0.0008678300000000, -0.0002285100000000, 0.0000471500000000 ] - [ 0.0000342100000000, 0.0000372100000000, 0.0003422600000000 ] - [ -0.0023543600000000, -0.0051752600000000, -0.0050937800000000 ] - [ -0.0010401100000000, 0.0003651300000000, -0.0006099400000000 ] - [ -0.0018616200000000, 0.0053690000000000, 0.0011878600000000 ] - [ -0.0002540600000000, -0.0000218400000000, -0.0000800400000000 ] - [ 0.0000064300000000, 0.0000475600000000, 0.0003359900000000 ] - [ -0.0005238900000000, 0.0001572600000000, -0.0004082300000000 ] - [ -0.0010255900000000, -0.0031769100000000, 0.0016455500000000 ] - [ 0.0008140500000000, 0.0005148100000000, -0.0004528300000000 ] - [ 0.0001195600000000, 0.0001898200000000, -0.0001004300000000 ] - [ -0.0006904400000000, -0.0002846900000000, -0.0001584100000000 ] - [ 0.0000429500000000, 0.0001126400000000, 0.0004901000000000 ] - [ 0.0047379300000000, -0.0003484800000000, -0.0032432400000000 ] - [ 0.0045446900000000, 0.0006928800000000, 0.0013758500000000 ] - [ 0.0000864800000000, 0.0005243100000000, -0.0000911500000000 ] - [ -0.0000731300000000, -0.0002156800000000, 0.0000578200000000 ] - [ 0.0008092000000000, -0.0000979200000000, -0.0000511100000000 ] - [ 0.0000734600000000, -0.0005953200000000, -0.0006509800000000 ] - [ 0.0002509900000000, 0.0007691500000000, 0.0005870900000000 ] - [ -0.0001893400000000, 0.0004742600000000, -0.0004835800000000 ] - [ 0.0005652500000000, -0.0005663100000000, 0.0002549100000000 ] - [ 0.0001277300000000, 0.0001384100000000, -0.0001976500000000 ] - [ 0.0013864800000000, -0.0052395000000000, 0.0024005700000000 ] - [ -0.0006927100000000, 0.0006802300000000, 0.0004550600000000 ] - [ 0.0001901300000000, -0.0003791100000000, -0.0003203900000000 ] - [ 0.0023730300000000, 0.0029818200000000, 0.0009082200000000 ] - [ -0.0000880900000000, 0.0005616800000000, 0.0000991100000000 ] - [ -0.0062203500000000, 0.0017444200000000, -0.0037018700000000 ] - [ -0.0057326400000000, -0.0006252200000000, 0.0022349900000000 ] - [ -0.0005540800000000, 0.0000927400000000, -0.0006601000000000 ] - [ -0.0004175400000000, -0.0005250200000000, -0.0004252000000000 ] - [ 0.0004294700000000, -0.0002892400000000, -0.0004430000000000 ] - [ 0.0000088300000000, -0.0002080300000000, -0.0005615600000000 ] - [ 0.0027896100000000, -0.0037701900000000, -0.0037968200000000 ] - [ 0.0003856100000000, 0.0003027200000000, 0.0005184200000000 ] - [ -0.0000123700000000, 0.0001657400000000, -0.0010105800000000 ] - [ 0.0003250300000000, 0.0008284800000000, 0.0002747300000000 ] - [ 0.0042683800000000, 0.0060618700000000, -0.0069501800000000 ] - [ 0.0003270600000000, 0.0003114600000000, -0.0007085800000000 ] - [ -0.0012438600000000, -0.0009791600000000, -0.0003307600000000 ] - [ 0.0004307600000000, 0.0001441800000000, 0.0002597100000000 ] - [ 0.0003364700000000, 0.0001291200000000, -0.0003492400000000 ] - [ 0.0003900800000000, 0.0001636300000000, 0.0001414200000000 ] - [ 0.0004268600000000, 0.0003863600000000, 0.0000995500000000 ] - [ -0.0003768600000000, 0.0003678200000000, 0.0000705600000000 ] - [ -0.0003118000000000, 0.0007546000000000, -0.0003925800000000 ] - [ 0.0001061200000000, 0.0001511700000000, 0.0000273800000000 ] - [ -0.0000409400000000, 0.0002579600000000, -0.0001139800000000 ] - [ -0.0011723900000000, -0.0000927800000000, -0.0002002900000000 ] - [ -0.0003306000000000, 0.0000535100000000, -0.0000318400000000 ] - [ -0.0000932300000000, -0.0002117200000000, -0.0034969600000000 ] - [ -0.0006162100000000, 0.0005387700000000, -0.0001516500000000 ] - [ -0.0007175600000000, 0.0003437300000000, -0.0003644700000000 ] - [ 0.0003138500000000, -0.0002153400000000, 0.0001924200000000 ] - [ -0.0009484000000000, -0.0021369600000000, 0.0005492800000000 ] - [ 0.0006242200000000, 0.0000859500000000, -0.0000042800000000 ] - [ -0.0000699900000000, 0.0001722200000000, -0.0001953000000000 ] - [ -0.0003265300000000, -0.0001966300000000, -0.0022935300000000 ] - [ 0.0000660200000000, 0.0001794600000000, -0.0003130900000000 ] - [ 0.0000068600000000, 0.0001260800000000, -0.0000309400000000 ] - [ 0.0001068400000000, -0.0002844400000000, 0.0000528600000000 ] - [ 0.0000372000000000, 0.0000198300000000, -0.0000960700000000 ] - [ 0.0002421400000000, -0.0000812500000000, 0.0000120900000000 ] - [ 0.0000454800000000, 0.0000020500000000, 0.0006889800000000 ] - [ 0.0014375400000000, -0.0016152200000000, 0.0006607200000000 ] - [ -0.0005294200000000, 0.0000012800000000, -0.0002368500000000 ] - [ 0.0002870700000000, -0.0002078500000000, -0.0000628200000000 ] - [ -0.0004780900000000, -0.0004911600000000, -0.0002999300000000 ] - [ -0.0000599300000000, -0.0003112000000000, -0.0000845700000000 ] - [ -0.0000872200000000, 0.0003444400000000, -0.0000183500000000 ] - [ 0.0001362100000000, 0.0004583800000000, 0.0001482800000000 ] - [ -0.0000244200000000, -0.0003518500000000, -0.0000078100000000 ] - [ -0.0003002300000000, -0.0001680600000000, 0.0004232800000000 ] - [ -0.0003744000000000, -0.0003080100000000, 0.0000094400000000 ] - [ 0.0003271700000000, -0.0002954700000000, 0.0001473500000000 ] - [ 0.0018280200000000, 0.0004056500000000, 0.0000607400000000 ] - [ 0.0022758500000000, 0.0012625200000000, 0.0003929800000000 ] - [ -0.0003905500000000, -0.0002021900000000, 0.0000247200000000 ] - [ -0.0027401000000000, 0.0011891500000000, 0.0015596000000000 ] - [ 0.0002439800000000, 0.0000476600000000, -0.0001897000000000 ] - [ 0.0001398300000000, 0.0002192000000000, 0.0000485000000000 ] - [ 0.0000291400000000, -0.0004263900000000, 0.0000471100000000 ] - [ 0.0003284200000000, -0.0002703600000000, 0.0000479400000000 ] - [ -0.0001964500000000, 0.0003013800000000, 0.0001676200000000 ] - [ -0.0003154900000000, -0.0001353700000000, 0.0001221700000000 ] - [ -0.0011626000000000, -0.0011199300000000, 0.0000441900000000 ] - [ 0.0001859400000000, -0.0001291500000000, 0.0000324700000000 ] - [ 0.0002261200000000, 0.0004854900000000, -0.0000153600000000 ] - [ 0.0000796800000000, -0.0000709800000000, 0.0011528700000000 ] - [ 0.0000996300000000, 0.0000210700000000, -0.0000945900000000 ] - [ 0.0000046900000000, -0.0000801400000000, -0.0000093200000000 ] - [ -0.0002298000000000, 0.0002229900000000, -0.0001070000000000 ] - [ 0.0009345600000000, 0.0005488400000000, -0.0003506400000000 ] - [ -0.0000201600000000, -0.0000956500000000, 0.0006559200000000 ] - [ 0.0006384600000000, -0.0000979700000000, 0.0000384600000000 ] - [ -0.0003187800000000, -0.0005356500000000, 0.0000259600000000 ] - [ -0.0000061300000000, -0.0003678100000000, -0.0000270300000000 ] - [ -0.0002816400000000, 0.0003405300000000, 0.0001147600000000 ] - [ -0.0024268500000000, -0.0007692300000000, 0.0013635300000000 ] - [ 0.0001978900000000, -0.0001580000000000, -0.0006240400000000 ] - [ 0.0001733500000000, 0.0000484800000000, -0.0001383400000000 ] - [ 0.0001237200000000, 0.0002904800000000, 0.0035191400000000 ] - [ -0.0012281800000000, 0.0001486200000000, -0.0000954000000000 ] - [ 0.0000581400000000, 0.0000481900000000, 0.0000201900000000 ] - [ 0.0000774000000000, -0.0001562200000000, 0.0000281400000000 ] - [ 0.0001153100000000, -0.0001017600000000, -0.0037500800000000 ] - [ 0.0000477100000000, 0.0002486400000000, 0.0000885200000000 ] - [ -0.0000775300000000, -0.0000246100000000, 0.0009030300000000 ] - [ -0.0000955000000000, 0.0002375900000000, 0.0000281100000000 ] - [ -0.0001777900000000, 0.0001375300000000, 0.0004138400000000 ] - [ 0.0010389500000000, -0.0000174600000000, -0.0003157400000000 ] - [ -0.0004406700000000, -0.0000056700000000, 0.0041936900000000 ] - [ 0.0017977800000000, -0.0001958700000000, -0.0003611100000000 ] - [ -0.0000515900000000, -0.0002000400000000, -0.0001317500000000 ] - [ -0.0002332500000000, -0.0009644500000000, -0.0000324200000000 ] - [ 0.0004486400000000, 0.0001903000000000, 0.0030190100000000 ] - [ 0.0001452500000000, 0.0000763500000000, -0.0001559200000000 ] - [ 0.0005104600000000, 0.0014181400000000, 0.0004227400000000 ] - [ 0.0001765800000000, -0.0000089200000000, -0.0001956400000000 ] - [ -0.0002611300000000, -0.0002298100000000, -0.0000256300000000 ] - [ -0.0000423800000000, -0.0001162500000000, -0.0002110400000000 ] - [ 0.0005825700000000, 0.0009186300000000, -0.0001920400000000 ] - [ 0.0003604800000000, -0.0007342800000000, -0.0003176500000000 ] - [ 0.0008528400000000, -0.0010406900000000, -0.0001323900000000 ] - [ -0.0020944200000000, -0.0010851200000000, -0.0042931000000000 ] - [ -0.0002088700000000, -0.0000493000000000, 0.0000433200000000 ] - [ 0.0000320500000000, -0.0000528500000000, -0.0001309000000000 ] - [ -0.0001869100000000, 0.0014496700000000, -0.0002761800000000 ] - [ -0.0007364300000000, 0.0026507100000000, 0.0014621300000000 ] - [ -0.0020626200000000, 0.0022751600000000, 0.0012041600000000 ] - [ -0.0006028700000000, 0.0028576100000000, -0.0043219800000000 ] - [ -0.0003429500000000, 0.0002249600000000, 0.0000189500000000 ] - [ -0.0000791400000000, 0.0000609800000000, 0.0005404300000000 ] - [ -0.0000481300000000, -0.0008078500000000, -0.0003764400000000 ] - [ 0.0008754000000000, -0.0005481700000000, -0.0003382000000000 ] - [ 0.0000272400000000, 0.0004489100000000, 0.0001045500000000 ] - [ -0.0014652500000000, -0.0019046500000000, 0.0005001700000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0003375200000000, -0.0005257600000000, 0.0000814700000000 ] - [ 0.0007088000000000, 0.0007376600000000, 0.0000621300000000 ] - [ 0.0006251600000000, 0.0000666800000000, 0.0002455300000000 ] - [ -0.0005010400000000, -0.0000194700000000, 0.0002255400000000 ] - [ -0.0198971300000000, -0.0019359100000000, 0.0026514100000000 ] - [ 0.0015345300000000, -0.0014061900000000, 0.0003447400000000 ] - [ 0.0000474300000000, -0.0003032700000000, 0.0000581700000000 ] - [ 0.0005635200000000, -0.0006657800000000, 0.0001514600000000 ] - [ 0.0004267900000000, 0.0004576300000000, 0.0000633800000000 ] - [ -0.0020614900000000, -0.0002575800000000, 0.0001900200000000 ] - [ 0.0003171300000000, 0.0001319500000000, 0.0000222400000000 ] - [ 0.0008749300000000, 0.0007897700000000, 0.0000332500000000 ] - [ 0.0004163100000000, 0.0005242200000000, 0.0000707200000000 ] - [ -0.0007978300000000, -0.0000143600000000, 0.0000926800000000 ] - [ -0.0000387300000000, 0.0003186600000000, 0.0002347600000000 ] - [ 0.0001860900000000, 0.0000768600000000, 0.0002407200000000 ] - [ 0.0002372800000000, -0.0000335500000000, 0.0001077500000000 ] - [ -0.0004222600000000, 0.0000923600000000, 0.0001194400000000 ] - [ 0.0000414100000000, 0.0004970100000000, 0.0000288800000000 ] - [ 0.0001981600000000, 0.0000511400000000, 0.0001120800000000 ] - [ 0.0007455400000000, -0.0000913600000000, 0.0000255100000000 ] - [ 0.0000480300000000, -0.0002921800000000, 0.0000224400000000 ] - [ 0.0004575800000000, -0.0006523100000000, -0.0000466000000000 ] - [ -0.0005999000000000, 0.0000411500000000, 0.0000580900000000 ] - [ 0.0009962900000000, -0.0002762800000000, -0.0001839500000000 ] - [ 0.0002997700000000, 0.0006662000000000, -0.0000449900000000 ] - [ 0.0034130600000000, 0.0001643200000000, 0.0031318200000000 ] - [ 0.0007345000000000, 0.0013407600000000, -0.0001350700000000 ] - [ -0.0038474000000000, -0.0028926000000000, -0.0013286200000000 ] - [ -0.0025679400000000, 0.0041277800000000, -0.0016074000000000 ] - [ -0.0007119400000000, 0.0005606800000000, -0.0000593400000000 ] - [ -0.0000260500000000, 0.0005473900000000, 0.0004067800000000 ] - [ 0.0009468500000000, -0.0004449000000000, 0.0004513900000000 ] - [ 0.0039254900000000, -0.0005523100000000, 0.0035239900000000 ] - [ 0.0012206300000000, 0.0012264600000000, 0.0000028400000000 ] - [ -0.0001709100000000, -0.0011015800000000, 0.0000411200000000 ] - [ -0.0021398000000000, -0.0036159500000000, -0.0017590500000000 ] - [ -0.0002818700000000, 0.0010609100000000, -0.0000819400000000 ] - [ 0.0008542700000000, -0.0004311500000000, 0.0003958900000000 ] - [ 0.0005622100000000, -0.0007023000000000, -0.0000980800000000 ] - [ -0.0001041400000000, -0.0002407200000000, -0.0000590600000000 ] - [ -0.0006191700000000, -0.0014123300000000, -0.0001725500000000 ] - [ 0.0000539200000000, 0.0004900000000000, 0.0003895900000000 ] - [ 0.0027275900000000, 0.0001644800000000, -0.0001060400000000 ] - [ 0.0020588200000000, -0.0001365700000000, -0.0001269800000000 ] - [ -0.0000290000000000, 0.0001713200000000, -0.0002000900000000 ] - [ -0.0020164400000000, 0.0044285300000000, -0.0031256800000000 ] - [ 0.0008815800000000, -0.0008538400000000, -0.0002644000000000 ] - [ -0.0020619700000000, -0.0050214100000000, 0.0016432000000000 ] - [ 0.0014228600000000, 0.0007742700000000, 0.0003891500000000 ] - [ -0.0000497600000000, -0.0002176500000000, -0.0006952600000000 ] - [ 0.0005743200000000, -0.0011509200000000, 0.0003845300000000 ] - [ 0.0008449600000000, 0.0003064000000000, 0.0002325400000000 ] - [ 0.0009245400000000, 0.0001217600000000, 0.0000823200000000 ] - [ -0.0037011700000000, 0.0037045400000000, 0.0027213700000000 ] - [ 0.0006945200000000, -0.0006029900000000, -0.0006483700000000 ] - [ 0.0010307200000000, 0.0000283700000000, -0.0006090700000000 ] - [ -0.0036880900000000, 0.0039734100000000, 0.0022110200000000 ] - [ 0.0016395200000000, 0.0001464200000000, 0.0003790900000000 ] - [ 0.0015509600000000, -0.0007047700000000, 0.0003190600000000 ] - [ -0.0007662000000000, 0.0007150900000000, -0.0005507800000000 ] - [ -0.0004998400000000, 0.0001431900000000, -0.0005666600000000 ] - [ -0.0031842100000000, -0.0057737700000000, 0.0018088200000000 ] - [ -0.0000954200000000, -0.0013114900000000, -0.0006742400000000 ] - [ 0.0012015300000000, 0.0001576200000000, -0.0007027400000000 ] - [ 0.0035465300000000, 0.0012225100000000, -0.0042420300000000 ] - [ 0.0062640100000000, -0.0019644500000000, -0.0048150600000000 ] - [ 0.0003424200000000, -0.0001298100000000, 0.0002154400000000 ] - [ 0.0016145400000000, -0.0001062300000000, -0.0005945800000000 ] - [ 0.0002219200000000, 0.0017629200000000, -0.0005938400000000 ] - [ -0.0004168900000000, -0.0008157300000000, 0.0004604000000000 ] - [ 0.0004509200000000, 0.0013994000000000, 0.0001534900000000 ] - [ 0.0003319700000000, -0.0001223100000000, 0.0009050200000000 ] - [ 0.0005162100000000, -0.0004117500000000, 0.0000849500000000 ] - [ 0.0002196100000000, -0.0002447100000000, 0.0001275400000000 ] - [ -0.0005455000000000, -0.0001574900000000, 0.0000453700000000 ] - [ -0.0003034000000000, -0.0003614500000000, -0.0000284300000000 ] - [ 0.0008701000000000, 0.0026315400000000, -0.0004054900000000 ] - [ 0.0037804200000000, 0.0006176100000000, -0.0012481500000000 ] - [ -0.0027471600000000, -0.0000874300000000, 0.0009852600000000 ] - [ -0.0003471700000000, 0.0001383800000000, -0.0000145700000000 ] - [ -0.0007714100000000, 0.0000440700000000, 0.0001070200000000 ] - [ -0.0001398200000000, -0.0007424000000000, -0.0000207900000000 ] - [ -0.0008590900000000, 0.0008422700000000, -0.0004268100000000 ] - [ 0.0013968300000000, -0.0020217100000000, -0.0002796700000000 ] - [ -0.0009223400000000, 0.0004402300000000, 0.0000160600000000 ] - [ 0.0003700900000000, 0.0003588700000000, -0.0000301300000000 ] - [ 0.0013764600000000, 0.0013823200000000, -0.0007578800000000 ] - [ -0.0005306900000000, 0.0000400200000000, -0.0000194100000000 ] - [ 0.0012396300000000, -0.0005820900000000, 0.0001706400000000 ] - [ -0.0000605800000000, -0.0013744800000000, 0.0003171000000000 ] - [ 0.0001811000000000, -0.0002470900000000, 0.0000333900000000 ] - [ -0.0006972100000000, 0.0018226300000000, 0.0026933400000000 ] - [ -0.0002140300000000, -0.0004235000000000, -0.0000348100000000 ] - [ 0.0001581200000000, 0.0004588700000000, 0.0008118200000000 ] - [ -0.0008676000000000, -0.0006866700000000, -0.0002181600000000 ] - [ -0.0003179200000000, 0.0006088800000000, -0.0001818400000000 ] - [ 0.0039375800000000, 0.0000620600000000, -0.0001005100000000 ] - [ -0.0011250000000000, -0.0008627800000000, -0.0005151400000000 ] - [ 0.0002295800000000, -0.0008603000000000, -0.0000993800000000 ] - [ 0.0002568100000000, -0.0003357000000000, 0.0000650600000000 ] - [ 0.0001065700000000, 0.0018120200000000, -0.0001685300000000 ] - [ -0.0000801400000000, -0.0007931600000000, 0.0001625300000000 ] - [ -0.0005438000000000, -0.0004063500000000, 0.0000868000000000 ] - [ -0.0005630500000000, 0.0019045400000000, 0.0011809000000000 ] - [ 0.0005070300000000, -0.0003366500000000, 0.0001371800000000 ] - [ -0.0007777100000000, 0.0004102100000000, -0.0003180800000000 ] - [ -0.0009729000000000, 0.0001831700000000, 0.0001225500000000 ] - [ -0.0002642000000000, -0.0007235600000000, 0.0000693100000000 ] - [ -0.0010382600000000, -0.0004942800000000, -0.0002847800000000 ] - [ 0.0004195400000000, 0.0006205700000000, -0.0002806300000000 ] - [ 0.0004720100000000, 0.0010559900000000, 0.0003031400000000 ] - [ 0.0029796600000000, -0.0003374500000000, -0.0001972900000000 ] - [ 0.0000332200000000, -0.0004983000000000, 0.0000881700000000 ] - [ -0.0002028000000000, 0.0026647800000000, -0.0016657900000000 ] - [ -0.0000970900000000, 0.0015617200000000, -0.0002687300000000 ] - [ -0.0010008500000000, 0.0001475300000000, 0.0002420500000000 ] - [ -0.0000596700000000, -0.0026784100000000, -0.0013671400000000 ] - [ 0.0002064400000000, -0.0011023700000000, 0.0000754900000000 ] - [ -0.0028783700000000, 0.0007533100000000, 0.0007787200000000 ] - [ -0.0000532200000000, -0.0004377200000000, -0.0001867400000000 ] - [ 0.0004771600000000, -0.0011723900000000, -0.0000435900000000 ] - [ 0.0032789300000000, 0.0001523200000000, -0.0012258000000000 ] - [ 0.0005554300000000, 0.0007513400000000, -0.0003611300000000 ] - [ -0.0000474200000000, 0.0001113800000000, 0.0007883700000000 ] - [ 0.0052216500000000, 0.0001487600000000, 0.0018824400000000 ] - [ -0.0001493100000000, 0.0000962100000000, -0.0001452900000000 ] - [ 0.0005248700000000, 0.0006454800000000, 0.0001166400000000 ] - [ 0.0038955000000000, 0.0001882600000000, 0.0005840700000000 ] - [ -0.0005351200000000, 0.0007677000000000, 0.0000372500000000 ] - [ -0.0000519300000000, -0.0004207200000000, -0.0002097100000000 ] - [ 0.0002069300000000, 0.0005497900000000, -0.0001712600000000 ] - [ -0.0004604300000000, -0.0000977600000000, 0.0007988400000000 ] - [ -0.0020749200000000, -0.0003401900000000, 0.0001174800000000 ] - [ 0.0002840600000000, 0.0006206300000000, 0.0001239800000000 ] - [ 0.0001365300000000, -0.0004137600000000, -0.0000745100000000 ] - [ -0.0009464700000000, -0.0000809400000000, -0.0001769000000000 ] - [ -0.0002438200000000, 0.0003400100000000, -0.0000806100000000 ] - [ -0.0000271800000000, -0.0007128500000000, 0.0008210000000000 ] - [ 0.0043325400000000, 0.0004036800000000, 0.0002782100000000 ] - [ -0.0004174000000000, 0.0005472100000000, -0.0002386900000000 ] - [ -0.0014545200000000, 0.0000855100000000, -0.0005850300000000 ] - [ -0.0006824900000000, 0.0002088600000000, -0.0000645100000000 ] - [ -0.0017996400000000, 0.0000085000000000, -0.0001280500000000 ] - [ -0.0000315900000000, -0.0000015300000000, -0.0001975100000000 ] - [ 0.0000280900000000, -0.0000008600000000, 0.0001356900000000 ] - [ -0.0010728500000000, 0.0002909200000000, -0.0000575400000000 ] - [ 0.0006916700000000, -0.0007785300000000, -0.0005461700000000 ] - [ -0.0006283300000000, 0.0003547200000000, 0.0000870200000000 ] - [ 0.0001907900000000, -0.0002175000000000, -0.0000511600000000 ] - [ -0.0004545900000000, -0.0005811100000000, -0.0001120200000000 ] - [ -0.0002452700000000, 0.0001136700000000, -0.0001070500000000 ] - [ -0.0000242400000000, 0.0005488500000000, -0.0001290100000000 ] - [ -0.0002504600000000, -0.0003670900000000, -0.0001430700000000 ] - [ -0.0003743500000000, -0.0001187000000000, -0.0000073400000000 ] - [ -0.0008971000000000, 0.0006901200000000, -0.0002154500000000 ] - [ -0.0001864900000000, 0.0004274900000000, 0.0000929000000000 ] - [ -0.0001218800000000, -0.0005964000000000, -0.0001257000000000 ] - [ -0.0010120000000000, 0.0001039000000000, -0.0000885900000000 ] - [ -0.0005134100000000, -0.0001423900000000, 0.0000267900000000 ] - [ -0.0009425500000000, -0.0005633500000000, 0.0000207900000000 ] - [ -0.0009715800000000, -0.0003857800000000, 0.0001595100000000 ] - [ -0.0005047800000000, 0.0009120600000000, 0.0001016000000000 ] - [ -0.0002424300000000, 0.0003592200000000, 0.0008285100000000 ] - [ 0.0000518000000000, -0.0002785100000000, -0.0002085500000000 ] - [ 0.0000825700000000, -0.0023827200000000, -0.0027709600000000 ] - [ 0.0000993100000000, 0.0003855800000000, 0.0001150300000000 ] - [ -0.0007701400000000, 0.0000771100000000, 0.0001647300000000 ]- atom: 5 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0003837300000000, 0.0005604800000000, 0.0001464600000000 ] - [ -0.0007082700000000, -0.0007343500000000, 0.0000602000000000 ] - [ -0.0005135700000000, 0.0000809600000000, 0.0002130400000000 ] - [ 0.0003894600000000, -0.0001296700000000, 0.0002330300000000 ] - [ 0.0196359000000000, 0.0017598000000000, -0.0028913800000000 ] - [ -0.0013425400000000, 0.0013732500000000, 0.0001163200000000 ] - [ -0.0000473100000000, 0.0003042200000000, 0.0000490800000000 ] - [ -0.0005175100000000, 0.0006368500000000, 0.0000751600000000 ] - [ -0.0004261300000000, -0.0004603300000000, 0.0000429100000000 ] - [ 0.0021384600000000, 0.0000866400000000, 0.0002731100000000 ] - [ -0.0000244900000000, 0.0000742700000000, 0.0000115100000000 ] - [ -0.0008769500000000, -0.0007936500000000, 0.0000207000000000 ] - [ -0.0004168200000000, -0.0005228600000000, 0.0000538800000000 ] - [ 0.0007466200000000, -0.0000020100000000, 0.0001334700000000 ] - [ -0.0001454800000000, -0.0002968300000000, 0.0002251500000000 ] - [ -0.0002591000000000, 0.0000923900000000, 0.0002190900000000 ] - [ -0.0002421500000000, -0.0000234000000000, 0.0001181800000000 ] - [ 0.0004739000000000, -0.0000670400000000, 0.0001071900000000 ] - [ -0.0000740700000000, -0.0001395700000000, 0.0000053600000000 ] - [ -0.0001932900000000, 0.0000042300000000, 0.0001140500000000 ] - [ -0.0004195200000000, -0.0000609600000000, 0.0000097300000000 ] - [ -0.0000492500000000, 0.0002913300000000, 0.0000308600000000 ] - [ -0.0004265100000000, 0.0002938600000000, 0.0000802100000000 ] - [ 0.0002739100000000, 0.0001094700000000, -0.0000227400000000 ] - [ -0.0011336700000000, -0.0010052400000000, -0.0003169800000000 ] - [ -0.0005654700000000, -0.0003112200000000, -0.0000008100000000 ] - [ -0.0021101500000000, -0.0012714800000000, -0.0032071200000000 ] - [ 0.0004393100000000, -0.0008085100000000, -0.0003657200000000 ] - [ 0.0037920000000000, 0.0029390200000000, 0.0021347600000000 ] - [ 0.0022467100000000, -0.0057983400000000, 0.0014985600000000 ] - [ -0.0008899700000000, -0.0011316200000000, -0.0000437400000000 ] - [ 0.0000434900000000, -0.0005913400000000, 0.0003955500000000 ] - [ -0.0009963600000000, 0.0004552400000000, 0.0003528200000000 ] - [ -0.0050058900000000, 0.0013215900000000, -0.0040720700000000 ] - [ -0.0009135100000000, 0.0004382400000000, -0.0001105400000000 ] - [ -0.0002595800000000, 0.0010375400000000, -0.0000825700000000 ] - [ 0.0021861900000000, 0.0036676400000000, 0.0025563500000000 ] - [ -0.0010209300000000, 0.0000375500000000, -0.0000268500000000 ] - [ -0.0008759800000000, 0.0003915000000000, 0.0004032100000000 ] - [ -0.0002969400000000, 0.0003443100000000, 0.0000511400000000 ] - [ 0.0002814400000000, 0.0006588200000000, 0.0000227500000000 ] - [ -0.0005532800000000, 0.0008826700000000, -0.0003259600000000 ] - [ -0.0000044100000000, -0.0005033300000000, 0.0004139400000000 ] - [ -0.0011250000000000, 0.0004070200000000, -0.0000013600000000 ] - [ -0.0016301900000000, 0.0001999200000000, 0.0000865600000000 ] - [ 0.0001656400000000, 0.0011069000000000, -0.0003002700000000 ] - [ 0.0018529100000000, -0.0048541000000000, 0.0031019200000000 ] - [ 0.0001680200000000, 0.0000991900000000, -0.0002336400000000 ] - [ 0.0023495300000000, 0.0039934600000000, -0.0027756900000000 ] - [ 0.0002423200000000, -0.0003983200000000, 0.0002849100000000 ] - [ -0.0001683700000000, 0.0008462400000000, -0.0005790700000000 ] - [ 0.0005961200000000, -0.0000899700000000, 0.0002847800000000 ] - [ -0.0001844000000000, -0.0008630600000000, 0.0001274400000000 ] - [ -0.0010860800000000, -0.0009481600000000, 0.0002677000000000 ] - [ 0.0025865000000000, -0.0024678000000000, -0.0020550600000000 ] - [ 0.0000228200000000, 0.0004875900000000, -0.0006176900000000 ] - [ -0.0013032000000000, 0.0010079400000000, -0.0005263300000000 ] - [ 0.0038152400000000, -0.0031420600000000, -0.0018634400000000 ] - [ -0.0024149700000000, -0.0004338500000000, -0.0000253400000000 ] - [ -0.0020550100000000, -0.0009233400000000, 0.0003512700000000 ] - [ -0.0002888300000000, -0.0004340400000000, -0.0005872300000000 ] - [ -0.0002435600000000, -0.0009151700000000, -0.0005691000000000 ] - [ 0.0042248600000000, 0.0055020100000000, -0.0029449700000000 ] - [ -0.0003250900000000, 0.0007438100000000, -0.0005961300000000 ] - [ -0.0009838200000000, -0.0007898400000000, -0.0005712700000000 ] - [ -0.0042071100000000, -0.0006371100000000, 0.0045686800000000 ] - [ -0.0070332900000000, 0.0020739100000000, 0.0036183900000000 ] - [ 0.0001604900000000, 0.0017571200000000, 0.0004552700000000 ] - [ -0.0008712600000000, 0.0008746500000000, -0.0005418000000000 ] - [ 0.0001974200000000, -0.0011932000000000, -0.0006764800000000 ] - [ -0.0012483800000000, 0.0004360200000000, 0.0002146300000000 ] - [ 0.0003252300000000, -0.0011131200000000, 0.0001953900000000 ] - [ 0.0002877200000000, 0.0004165800000000, -0.0007259300000000 ] - [ 0.0002106200000000, 0.0007634000000000, 0.0001780000000000 ] - [ 0.0006435800000000, 0.0005037500000000, 0.0001371700000000 ] - [ -0.0002387000000000, 0.0006165100000000, 0.0000338900000000 ] - [ 0.0004735000000000, 0.0002054000000000, -0.0000142800000000 ] - [ -0.0007055900000000, -0.0023419200000000, 0.0002849000000000 ] - [ -0.0039328300000000, -0.0001962700000000, 0.0010817000000000 ] - [ 0.0016533100000000, 0.0000538600000000, -0.0009936600000000 ] - [ -0.0003638400000000, 0.0001134700000000, -0.0000374300000000 ] - [ 0.0002066500000000, 0.0003411900000000, 0.0000696200000000 ] - [ 0.0007567100000000, -0.0002347800000000, 0.0000410100000000 ] - [ -0.0005377900000000, 0.0000532700000000, -0.0002869100000000 ] - [ -0.0008220000000000, 0.0016360900000000, 0.0004579000000000 ] - [ 0.0009135800000000, 0.0004698200000000, 0.0000626900000000 ] - [ 0.0007225300000000, -0.0003207800000000, 0.0000283600000000 ] - [ -0.0015277800000000, -0.0010819800000000, 0.0006398500000000 ] - [ 0.0003469700000000, -0.0003231400000000, -0.0001008800000000 ] - [ -0.0011609900000000, 0.0009527500000000, -0.0006049200000000 ] - [ 0.0001140500000000, 0.0015974300000000, -0.0003588300000000 ] - [ 0.0000398000000000, -0.0002495100000000, 0.0000539500000000 ] - [ 0.0012437600000000, -0.0016346700000000, -0.0028122300000000 ] - [ 0.0004362800000000, 0.0004850800000000, -0.0000092400000000 ] - [ -0.0000016200000000, -0.0004319600000000, 0.0008060400000000 ] - [ 0.0008161300000000, 0.0004641200000000, 0.0001761400000000 ] - [ -0.0000651800000000, -0.0003121800000000, -0.0001481900000000 ] - [ -0.0035099200000000, -0.0004287800000000, -0.0000258700000000 ] - [ -0.0003479000000000, 0.0001058600000000, -0.0001961300000000 ] - [ -0.0003427500000000, 0.0003083500000000, -0.0000403500000000 ] - [ -0.0003744800000000, 0.0010522400000000, -0.0001075500000000 ] - [ 0.0001031700000000, -0.0009379600000000, 0.0004340400000000 ] - [ 0.0000302100000000, 0.0001121500000000, 0.0000124300000000 ] - [ -0.0000713900000000, 0.0001097500000000, 0.0000922300000000 ] - [ -0.0000037800000000, -0.0024043400000000, -0.0012415500000000 ] - [ 0.0001465300000000, -0.0002817900000000, 0.0001261200000000 ] - [ 0.0008607300000000, 0.0012459900000000, -0.0003958200000000 ] - [ 0.0006637700000000, -0.0006341400000000, -0.0000378700000000 ] - [ -0.0005341100000000, 0.0002776500000000, 0.0000136600000000 ] - [ 0.0005838700000000, 0.0003015300000000, -0.0000513100000000 ] - [ 0.0000357800000000, -0.0004256700000000, -0.0000556800000000 ] - [ -0.0001653400000000, -0.0006051200000000, -0.0002183900000000 ] - [ -0.0029734300000000, -0.0005692900000000, 0.0002735700000000 ] - [ 0.0005121600000000, 0.0004492900000000, -0.0000018000000000 ] - [ -0.0004838200000000, -0.0022311500000000, 0.0019300300000000 ] - [ -0.0006253000000000, -0.0019156300000000, 0.0005278300000000 ] - [ 0.0007898100000000, -0.0010211400000000, 0.0000239300000000 ] - [ -0.0001007600000000, 0.0028170300000000, 0.0013153700000000 ] - [ 0.0003254100000000, 0.0020831600000000, -0.0000768200000000 ] - [ 0.0030174300000000, -0.0008879700000000, 0.0008432000000000 ] - [ 0.0003984100000000, 0.0003743400000000, -0.0000788500000000 ] - [ -0.0005560100000000, 0.0010567200000000, 0.0000597400000000 ] - [ -0.0032563300000000, 0.0002260200000000, 0.0008240600000000 ] - [ 0.0009165300000000, 0.0000064400000000, -0.0003512900000000 ] - [ -0.0000075700000000, -0.0002611100000000, 0.0008265100000000 ] - [ -0.0043103800000000, -0.0006758200000000, -0.0016403100000000 ] - [ -0.0003845900000000, -0.0010786500000000, 0.0001469000000000 ] - [ -0.0003997300000000, -0.0013653800000000, -0.0001587900000000 ] - [ -0.0045532800000000, 0.0004209500000000, -0.0003104200000000 ] - [ 0.0013325600000000, -0.0003193400000000, 0.0000465100000000 ] - [ 0.0003305400000000, 0.0001579400000000, -0.0002221700000000 ] - [ 0.0001563000000000, -0.0004398500000000, -0.0002565500000000 ] - [ 0.0005157300000000, 0.0002487200000000, 0.0008158200000000 ] - [ 0.0018565300000000, 0.0002738600000000, -0.0001567300000000 ] - [ -0.0002154000000000, -0.0005111200000000, -0.0001083500000000 ] - [ 0.0000201300000000, 0.0001111500000000, -0.0000454000000000 ] - [ 0.0005835200000000, -0.0000277100000000, -0.0002508500000000 ] - [ 0.0003176400000000, -0.0004640500000000, 0.0000963300000000 ] - [ -0.0001297600000000, 0.0006857600000000, 0.0007973800000000 ] - [ -0.0045603300000000, 0.0000934500000000, -0.0001912800000000 ] - [ 0.0001385000000000, -0.0002828100000000, -0.0001936500000000 ] - [ 0.0015891400000000, -0.0000901400000000, 0.0006049000000000 ] - [ 0.0003431900000000, -0.0001937300000000, -0.0000572400000000 ] - [ 0.0014576300000000, 0.0000562000000000, -0.0001416600000000 ] - [ -0.0000585300000000, -0.0003686000000000, -0.0002334800000000 ] - [ 0.0006398200000000, -0.0004405900000000, 0.0001229600000000 ] - [ 0.0011190600000000, 0.0003902300000000, 0.0002323500000000 ] - [ -0.0004748500000000, 0.0010317300000000, 0.0002764700000000 ] - [ 0.0000839500000000, -0.0003041000000000, -0.0000016500000000 ] - [ 0.0001480200000000, 0.0002034300000000, -0.0000710500000000 ] - [ -0.0000796400000000, 0.0004029400000000, -0.0000223900000000 ] - [ 0.0001828000000000, -0.0006059200000000, -0.0002294500000000 ] - [ 0.0005899100000000, -0.0000631700000000, 0.0000795600000000 ] - [ 0.0003463200000000, 0.0000728500000000, -0.0001406100000000 ] - [ 0.0002997400000000, 0.0002455800000000, 0.0000240400000000 ] - [ 0.0010099200000000, -0.0001354300000000, 0.0000745300000000 ] - [ 0.0000522200000000, -0.0004257100000000, -0.0000770700000000 ] - [ 0.0005060100000000, 0.0003003300000000, -0.0002049700000000 ] - [ 0.0005866900000000, 0.0002741300000000, -0.0000449300000000 ] - [ 0.0012250900000000, -0.0001064700000000, -0.0000796900000000 ] - [ 0.0007305600000000, 0.0003098200000000, -0.0002909700000000 ] - [ 0.0009411200000000, -0.0004171800000000, 0.0001001900000000 ] - [ -0.0001128000000000, 0.0000674800000000, -0.0000801300000000 ] - [ 0.0001327900000000, -0.0002326400000000, 0.0007955700000000 ] - [ -0.0001348800000000, -0.0013762000000000, -0.0005048800000000 ] - [ 0.0013048600000000, 0.0015005900000000, 0.0020798700000000 ] - [ -0.0000680700000000, 0.0004190800000000, 0.0001454900000000 ] - [ -0.0000909800000000, -0.0003323000000000, 0.0001002600000000 ]- atom: 5 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0006276200000000, 0.0001809400000000, 0.0000759900000000 ] - [ 0.0003919800000000, -0.0003666200000000, 0.0000225700000000 ] - [ -0.0002116700000000, -0.0000240500000000, 0.0002239900000000 ] - [ 0.0001142000000000, 0.0006484000000000, 0.0002443700000000 ] - [ 0.0081034700000000, -0.0131427600000000, -0.0000150200000000 ] - [ -0.0017173700000000, 0.0006451100000000, 0.0002033400000000 ] - [ -0.0002921300000000, 0.0004845200000000, 0.0000498200000000 ] - [ -0.0006970400000000, 0.0002271300000000, 0.0001096400000000 ] - [ 0.0002376500000000, -0.0003405200000000, 0.0000804800000000 ] - [ 0.0009309900000000, -0.0016575500000000, 0.0002392000000000 ] - [ 0.0000855600000000, 0.0002789900000000, 0.0000187800000000 ] - [ 0.0001200300000000, -0.0005203100000000, -0.0000091500000000 ] - [ 0.0001938900000000, -0.0003682500000000, 0.0001059600000000 ] - [ 0.0002725000000000, 0.0016901800000000, 0.0001863800000000 ] - [ 0.0001256200000000, 0.0001988500000000, 0.0002325100000000 ] - [ -0.0001347400000000, 0.0002481800000000, 0.0002301600000000 ] - [ -0.0001253800000000, 0.0001112700000000, 0.0001118000000000 ] - [ 0.0002983500000000, 0.0005306800000000, 0.0000468000000000 ] - [ 0.0001979400000000, 0.0003765300000000, 0.0000247900000000 ] - [ -0.0000935500000000, 0.0001972700000000, 0.0001126400000000 ] - [ -0.0001088000000000, -0.0001668300000000, 0.0000152600000000 ] - [ -0.0002824800000000, 0.0004674500000000, 0.0000304100000000 ] - [ -0.0005691300000000, -0.0001265400000000, 0.0000432700000000 ] - [ -0.0000192400000000, 0.0006695000000000, 0.0000224100000000 ] - [ -0.0004787900000000, -0.0008904000000000, -0.0002642600000000 ] - [ 0.0003248500000000, 0.0002388600000000, -0.0000772400000000 ] - [ -0.0009441300000000, -0.0048964600000000, -0.0013099000000000 ] - [ 0.0015144000000000, 0.0006955100000000, -0.0002404000000000 ] - [ -0.0012673200000000, 0.0024392900000000, 0.0039239000000000 ] - [ 0.0039643100000000, 0.0000318700000000, -0.0025199100000000 ] - [ 0.0000750200000000, 0.0003155700000000, 0.0000095600000000 ] - [ 0.0002433300000000, 0.0005675600000000, 0.0003687300000000 ] - [ -0.0006388100000000, 0.0000139900000000, 0.0003749600000000 ] - [ -0.0036302800000000, -0.0028186300000000, -0.0022542800000000 ] - [ -0.0002280300000000, 0.0006014600000000, -0.0000944300000000 ] - [ -0.0009521600000000, 0.0016320000000000, -0.0001966900000000 ] - [ -0.0025645800000000, 0.0042798100000000, 0.0044295600000000 ] - [ -0.0001900600000000, 0.0006723200000000, -0.0001051100000000 ] - [ -0.0005204500000000, 0.0000578100000000, 0.0003947900000000 ] - [ -0.0007355700000000, 0.0005153000000000, -0.0000263400000000 ] - [ 0.0000424000000000, 0.0012087000000000, 0.0000678300000000 ] - [ -0.0013301400000000, 0.0014939600000000, -0.0003637700000000 ] - [ 0.0001675800000000, 0.0005434400000000, 0.0004063200000000 ] - [ 0.0000321200000000, -0.0002131700000000, 0.0000807500000000 ] - [ -0.0006079400000000, -0.0002640200000000, 0.0000373700000000 ] - [ -0.0000591000000000, 0.0015865000000000, -0.0003004600000000 ] - [ 0.0042038400000000, -0.0024595400000000, -0.0006761800000000 ] - [ -0.0002503900000000, 0.0003284600000000, -0.0001683500000000 ] - [ -0.0018787200000000, 0.0035765500000000, -0.0053612800000000 ] - [ 0.0012476600000000, 0.0004610100000000, 0.0003812200000000 ] - [ -0.0003877000000000, 0.0014604100000000, -0.0005564500000000 ] - [ 0.0004007000000000, 0.0006737600000000, 0.0002358400000000 ] - [ 0.0008449500000000, 0.0000115400000000, 0.0001762000000000 ] - [ -0.0003488000000000, -0.0008176400000000, 0.0002395000000000 ] - [ 0.0049042000000000, 0.0000308100000000, 0.0017544800000000 ] - [ -0.0004895300000000, 0.0005724500000000, -0.0006783100000000 ] - [ -0.0007754500000000, 0.0007243000000000, -0.0005533500000000 ] - [ 0.0054249900000000, 0.0016104600000000, 0.0023622100000000 ] - [ -0.0013775100000000, -0.0008566400000000, 0.0001522600000000 ] - [ -0.0012408000000000, -0.0013383000000000, 0.0003280300000000 ] - [ -0.0001949500000000, 0.0007230600000000, -0.0005361400000000 ] - [ -0.0001882700000000, 0.0001788500000000, -0.0005498800000000 ] - [ -0.0016528300000000, 0.0031495000000000, -0.0049830300000000 ] - [ -0.0014754700000000, 0.0014491500000000, -0.0004919900000000 ] - [ -0.0002522100000000, -0.0007179400000000, -0.0005800400000000 ] - [ -0.0004080800000000, -0.0054069300000000, 0.0008764800000000 ] - [ -0.0031457600000000, -0.0033406200000000, 0.0019297600000000 ] - [ -0.0008784900000000, 0.0024435300000000, 0.0005398800000000 ] - [ -0.0003275300000000, 0.0005146000000000, -0.0005311100000000 ] - [ 0.0011191100000000, 0.0006992100000000, -0.0008608200000000 ] - [ -0.0018095100000000, 0.0004186100000000, 0.0002848400000000 ] - [ 0.0011028400000000, 0.0006816200000000, 0.0001600700000000 ] - [ 0.0000735400000000, 0.0019028300000000, 0.0003118800000000 ] - [ 0.0001604800000000, -0.0001654000000000, 0.0001137000000000 ] - [ 0.0002397800000000, -0.0002115800000000, 0.0001703200000000 ] - [ -0.0006208300000000, -0.0001502400000000, 0.0000026500000000 ] - [ -0.0000024600000000, 0.0000503700000000, -0.0000054000000000 ] - [ 0.0018489700000000, -0.0028311200000000, 0.0007405300000000 ] - [ -0.0024507700000000, 0.0033788400000000, -0.0003680400000000 ] - [ 0.0001133800000000, 0.0007875800000000, -0.0005233100000000 ] - [ -0.0003128000000000, -0.0002220100000000, -0.0000253700000000 ] - [ -0.0001349700000000, 0.0003267400000000, 0.0000843500000000 ] - [ 0.0002728300000000, -0.0003412400000000, -0.0000068600000000 ] - [ -0.0002450700000000, -0.0003345700000000, -0.0001885300000000 ] - [ -0.0016732600000000, -0.0013035900000000, -0.0000717100000000 ] - [ 0.0004275800000000, 0.0004954100000000, 0.0000776000000000 ] - [ 0.0012176100000000, -0.0004537700000000, 0.0001329200000000 ] - [ 0.0002083000000000, -0.0002464100000000, 0.0006370300000000 ] - [ 0.0001641300000000, -0.0001989100000000, -0.0000738000000000 ] - [ -0.0014771900000000, 0.0011404200000000, -0.0008739700000000 ] - [ -0.0007912800000000, -0.0000495200000000, 0.0003295000000000 ] - [ 0.0000532600000000, -0.0006234400000000, 0.0000708300000000 ] - [ 0.0024409800000000, 0.0020319100000000, -0.0024083500000000 ] - [ -0.0005040000000000, -0.0000594300000000, 0.0000537700000000 ] - [ 0.0003888000000000, -0.0007106100000000, 0.0007798800000000 ] - [ 0.0002738100000000, 0.0004752700000000, 0.0000575800000000 ] - [ 0.0006522100000000, -0.0003025500000000, -0.0000881700000000 ] - [ -0.0017645200000000, -0.0014969100000000, -0.0019920600000000 ] - [ -0.0012796900000000, -0.0004010100000000, -0.0004379500000000 ] - [ -0.0003106500000000, -0.0006351300000000, 0.0000249500000000 ] - [ -0.0003653800000000, 0.0000163800000000, -0.0000255600000000 ] - [ 0.0011322800000000, -0.0011375900000000, 0.0009091000000000 ] - [ -0.0003645500000000, -0.0005567200000000, 0.0000692800000000 ] - [ -0.0004739100000000, -0.0002351600000000, 0.0001184000000000 ] - [ 0.0012924700000000, 0.0004987700000000, -0.0010799200000000 ] - [ 0.0001748000000000, -0.0007576200000000, 0.0001730400000000 ] - [ 0.0003740200000000, 0.0013176300000000, -0.0004458200000000 ] - [ 0.0002454900000000, -0.0002389300000000, 0.0000330800000000 ] - [ -0.0005513600000000, -0.0006147700000000, 0.0000225200000000 ] - [ 0.0001343200000000, 0.0002729300000000, -0.0000925900000000 ] - [ 0.0002244400000000, -0.0008963700000000, -0.0000341300000000 ] - [ 0.0009062800000000, -0.0012552800000000, -0.0003519200000000 ] - [ -0.0011439500000000, -0.0014901300000000, 0.0013316400000000 ] - [ 0.0000401100000000, -0.0003539100000000, 0.0000367700000000 ] - [ 0.0013776200000000, 0.0005229300000000, 0.0022053200000000 ] - [ 0.0007265000000000, -0.0018724000000000, 0.0006048400000000 ] - [ 0.0003944000000000, -0.0005276500000000, 0.0000311000000000 ] - [ -0.0019201800000000, 0.0025287600000000, -0.0007802800000000 ] - [ -0.0006575500000000, 0.0006642200000000, -0.0000729400000000 ] - [ 0.0018125100000000, 0.0010062300000000, 0.0005435500000000 ] - [ -0.0003376700000000, -0.0001912100000000, -0.0002464400000000 ] - [ -0.0013190800000000, -0.0005186600000000, -0.0001102200000000 ] - [ -0.0017537500000000, 0.0038713100000000, 0.0003168500000000 ] - [ 0.0014691300000000, -0.0001135100000000, -0.0004590000000000 ] - [ 0.0000878500000000, -0.0004921700000000, 0.0008453700000000 ] - [ -0.0019486400000000, 0.0033170200000000, -0.0016492100000000 ] - [ -0.0001341900000000, -0.0014883400000000, 0.0001954000000000 ] - [ 0.0009328700000000, -0.0020405800000000, -0.0005400700000000 ] - [ -0.0022347600000000, -0.0011008200000000, 0.0026041400000000 ] - [ 0.0008935000000000, 0.0002146600000000, 0.0000693400000000 ] - [ -0.0000508900000000, -0.0002081700000000, -0.0002062000000000 ] - [ 0.0005756800000000, -0.0007802600000000, -0.0002552800000000 ] - [ 0.0001707600000000, 0.0001740000000000, 0.0008051400000000 ] - [ 0.0001972100000000, 0.0010710300000000, 0.0000843600000000 ] - [ 0.0000429200000000, -0.0010962700000000, -0.0000582700000000 ] - [ -0.0000610100000000, -0.0004299300000000, -0.0000579200000000 ] - [ 0.0001805300000000, 0.0001416900000000, -0.0001824300000000 ] - [ 0.0005420400000000, -0.0007200500000000, 0.0001544200000000 ] - [ -0.0007051600000000, -0.0002763800000000, 0.0008903600000000 ] - [ -0.0025885500000000, 0.0035947900000000, 0.0014632200000000 ] - [ 0.0003403600000000, -0.0002839200000000, -0.0001888500000000 ] - [ 0.0011039500000000, 0.0006158300000000, 0.0003335500000000 ] - [ 0.0001364000000000, -0.0000147600000000, -0.0000714400000000 ] - [ 0.0008459800000000, 0.0008176200000000, -0.0001230100000000 ] - [ 0.0000387300000000, -0.0006484100000000, -0.0002561100000000 ] - [ 0.0006345500000000, -0.0003988000000000, 0.0001181300000000 ] - [ 0.0005699300000000, 0.0007560700000000, 0.0001287300000000 ] - [ -0.0011221100000000, -0.0006316200000000, -0.0006474100000000 ] - [ 0.0001782500000000, -0.0001242600000000, 0.0000064800000000 ] - [ 0.0000908400000000, -0.0002621600000000, -0.0000734000000000 ] - [ -0.0005358200000000, -0.0004558700000000, -0.0000546300000000 ] - [ 0.0004054200000000, -0.0009096000000000, -0.0003005600000000 ] - [ 0.0006495200000000, 0.0000299500000000, 0.0000690000000000 ] - [ -0.0000126200000000, -0.0001275100000000, -0.0001621600000000 ] - [ -0.0000694400000000, 0.0000884100000000, 0.0000194400000000 ] - [ 0.0004899900000000, 0.0002997900000000, -0.0000260200000000 ] - [ 0.0007128500000000, -0.0004403400000000, -0.0001617400000000 ] - [ -0.0003892900000000, -0.0003057000000000, -0.0000570300000000 ] - [ 0.0001143000000000, 0.0002240700000000, -0.0000801700000000 ] - [ 0.0007575600000000, -0.0000869000000000, -0.0000318700000000 ] - [ 0.0002279800000000, 0.0002465200000000, -0.0002421600000000 ] - [ 0.0004599600000000, -0.0003513200000000, 0.0000843800000000 ] - [ 0.0001661200000000, -0.0002656800000000, -0.0001602800000000 ] - [ 0.0003207600000000, -0.0002769100000000, 0.0007905100000000 ] - [ 0.0000850100000000, -0.0017597700000000, -0.0005916100000000 ] - [ -0.0009557000000000, 0.0020274600000000, 0.0004986400000000 ] - [ -0.0000240600000000, -0.0000202900000000, 0.0000418200000000 ] - [ -0.0000807400000000, -0.0002364800000000, 0.0001135200000000 ]- atom: 5 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0005789400000000, -0.0001487100000000, 0.0001510000000000 ] - [ -0.0003943100000000, 0.0003636800000000, 0.0001008400000000 ] - [ 0.0003229600000000, 0.0001713800000000, 0.0002344600000000 ] - [ -0.0002241500000000, -0.0007936700000000, 0.0002144900000000 ] - [ -0.0084631400000000, 0.0130122400000000, -0.0000035600000000 ] - [ 0.0019136100000000, -0.0006686000000000, 0.0002571300000000 ] - [ 0.0002922700000000, -0.0004831900000000, 0.0000572500000000 ] - [ 0.0007411400000000, -0.0002602400000000, 0.0001172100000000 ] - [ -0.0002357900000000, 0.0003398100000000, 0.0000268800000000 ] - [ -0.0008539700000000, 0.0014815400000000, 0.0002213200000000 ] - [ 0.0002065800000000, -0.0000738000000000, 0.0000149000000000 ] - [ -0.0001158400000000, 0.0005218900000000, 0.0000624400000000 ] - [ -0.0001945400000000, 0.0003672000000000, 0.0000177900000000 ] - [ -0.0003276200000000, -0.0017226900000000, 0.0000397400000000 ] - [ -0.0003096300000000, -0.0001766500000000, 0.0002272700000000 ] - [ 0.0000612100000000, -0.0000802300000000, 0.0002295900000000 ] - [ 0.0001211300000000, -0.0001669100000000, 0.0001141200000000 ] - [ -0.0002485600000000, -0.0005061200000000, 0.0001802800000000 ] - [ -0.0002304200000000, -0.0000184800000000, 0.0000094700000000 ] - [ 0.0000992100000000, -0.0001405900000000, 0.0001134600000000 ] - [ 0.0004348400000000, 0.0000141900000000, 0.0000199800000000 ] - [ 0.0002812300000000, -0.0004682400000000, 0.0000229100000000 ] - [ 0.0006010400000000, -0.0002291900000000, -0.0000093100000000 ] - [ -0.0003056200000000, -0.0005158400000000, 0.0000123300000000 ] - [ 0.0003433500000000, -0.0003886800000000, -0.0002361900000000 ] - [ -0.0005898400000000, 0.0001193000000000, 0.0000315600000000 ] - [ 0.0022326400000000, 0.0037969500000000, 0.0011962600000000 ] - [ -0.0003431900000000, -0.0001593000000000, -0.0002605300000000 ] - [ 0.0012386600000000, -0.0023951100000000, -0.0031595900000000 ] - [ -0.0042395300000000, -0.0017110800000000, 0.0023999200000000 ] - [ -0.0016735100000000, -0.0008865300000000, -0.0001126400000000 ] - [ -0.0002279200000000, -0.0006122400000000, 0.0004338600000000 ] - [ 0.0005901900000000, -0.0000001600000000, 0.0004289800000000 ] - [ 0.0025759400000000, 0.0035506700000000, 0.0017486100000000 ] - [ 0.0005335000000000, 0.0010606000000000, -0.0000137500000000 ] - [ 0.0005179700000000, -0.0016901700000000, 0.0001543100000000 ] - [ 0.0025652300000000, -0.0041918900000000, -0.0035831600000000 ] - [ -0.0011121800000000, 0.0004235600000000, -0.0000035800000000 ] - [ 0.0004975100000000, -0.0001008600000000, 0.0004044000000000 ] - [ 0.0010032600000000, -0.0008707300000000, -0.0000201900000000 ] - [ 0.0001335300000000, -0.0007926200000000, -0.0001045500000000 ] - [ 0.0001604700000000, -0.0020273100000000, -0.0001339600000000 ] - [ -0.0001162100000000, -0.0005544700000000, 0.0003971900000000 ] - [ 0.0015648500000000, 0.0007860000000000, -0.0001856900000000 ] - [ 0.0010417800000000, 0.0003250000000000, -0.0000788200000000 ] - [ 0.0001968800000000, -0.0003058000000000, -0.0002000300000000 ] - [ -0.0043880200000000, 0.0020684200000000, 0.0006319100000000 ] - [ 0.0012970200000000, -0.0010850200000000, -0.0003294500000000 ] - [ 0.0021233400000000, -0.0045754600000000, 0.0041769700000000 ] - [ 0.0004188900000000, -0.0000816800000000, 0.0002931200000000 ] - [ 0.0001709000000000, -0.0008281500000000, -0.0007178200000000 ] - [ 0.0007680400000000, -0.0019181100000000, 0.0004338500000000 ] - [ -0.0001840400000000, -0.0005703300000000, 0.0001837600000000 ] - [ 0.0001861200000000, -0.0000117100000000, 0.0001107500000000 ] - [ -0.0060592400000000, 0.0012253900000000, -0.0010763700000000 ] - [ 0.0012037300000000, -0.0006908100000000, -0.0005878800000000 ] - [ 0.0005025300000000, 0.0003079100000000, -0.0005823500000000 ] - [ -0.0052378100000000, -0.0007897300000000, -0.0020003400000000 ] - [ 0.0005955600000000, 0.0005687400000000, 0.0001982400000000 ] - [ 0.0007403000000000, -0.0002914900000000, 0.0003429100000000 ] - [ -0.0008631900000000, -0.0004426900000000, -0.0006023000000000 ] - [ -0.0005527900000000, -0.0009483300000000, -0.0005859400000000 ] - [ 0.0027236000000000, -0.0034178700000000, 0.0038930100000000 ] - [ 0.0010616300000000, -0.0020209900000000, -0.0007799800000000 ] - [ 0.0004717300000000, 0.0000878900000000, -0.0006944300000000 ] - [ -0.0002770500000000, 0.0059909600000000, -0.0005041400000000 ] - [ 0.0024311700000000, 0.0034132000000000, -0.0031823700000000 ] - [ 0.0013753800000000, -0.0008113700000000, 0.0001323300000000 ] - [ 0.0010711400000000, 0.0002577600000000, -0.0006050600000000 ] - [ -0.0007028900000000, -0.0001244300000000, -0.0004085500000000 ] - [ 0.0001467700000000, -0.0007946500000000, 0.0003899600000000 ] - [ -0.0003233500000000, -0.0003954400000000, 0.0001882900000000 ] - [ 0.0005449700000000, -0.0016094300000000, -0.0001349900000000 ] - [ 0.0005675900000000, 0.0005159200000000, 0.0001492500000000 ] - [ 0.0006221700000000, 0.0004684000000000, 0.0000944500000000 ] - [ -0.0001627100000000, 0.0006103700000000, 0.0000767200000000 ] - [ 0.0001724000000000, -0.0002042400000000, -0.0000370800000000 ] - [ -0.0016695900000000, 0.0031233400000000, -0.0008558000000000 ] - [ 0.0025121100000000, -0.0028862400000000, 0.0000293300000000 ] - [ -0.0012129000000000, -0.0008196600000000, 0.0005217200000000 ] - [ -0.0003996700000000, 0.0004724400000000, -0.0000267500000000 ] - [ -0.0004292300000000, 0.0000596300000000, 0.0000924000000000 ] - [ 0.0003433900000000, -0.0006379700000000, 0.0000274200000000 ] - [ -0.0011513200000000, 0.0012313000000000, -0.0005254000000000 ] - [ 0.0022244300000000, 0.0009175300000000, 0.0002477900000000 ] - [ -0.0004356100000000, 0.0004159600000000, 0.0000013300000000 ] - [ -0.0001220600000000, 0.0004917400000000, -0.0001340100000000 ] - [ -0.0003637900000000, 0.0005416400000000, -0.0007577600000000 ] - [ -0.0003474300000000, -0.0000826100000000, -0.0000462500000000 ] - [ 0.0015651200000000, -0.0007737600000000, 0.0004404600000000 ] - [ 0.0008403300000000, 0.0002746000000000, -0.0003704500000000 ] - [ 0.0001694100000000, 0.0001277900000000, 0.0000161800000000 ] - [ -0.0019041600000000, -0.0018751300000000, 0.0022812200000000 ] - [ 0.0007247100000000, 0.0001225800000000, -0.0000973800000000 ] - [ -0.0002333200000000, 0.0007390400000000, 0.0008384600000000 ] - [ -0.0003231100000000, -0.0006956500000000, -0.0000985200000000 ] - [ -0.0010390700000000, 0.0005982900000000, -0.0002419000000000 ] - [ 0.0021727300000000, 0.0011361600000000, 0.0018549900000000 ] - [ -0.0001934400000000, -0.0003585100000000, -0.0002738900000000 ] - [ 0.0001955000000000, 0.0000823400000000, -0.0001640800000000 ] - [ 0.0002502000000000, 0.0006987800000000, -0.0000167500000000 ] - [ -0.0009153100000000, 0.0020072700000000, -0.0006371300000000 ] - [ 0.0003132300000000, -0.0001242500000000, 0.0001058400000000 ] - [ -0.0001412900000000, -0.0000602400000000, 0.0000605900000000 ] - [ -0.0018468500000000, -0.0009748900000000, 0.0010200500000000 ] - [ 0.0004805900000000, 0.0001401700000000, 0.0000906000000000 ] - [ -0.0002933000000000, 0.0003382200000000, -0.0002687700000000 ] - [ -0.0005557000000000, -0.0002098200000000, 0.0000515100000000 ] - [ -0.0002479800000000, 0.0001680400000000, 0.0000603000000000 ] - [ -0.0005903700000000, -0.0004666900000000, -0.0002433600000000 ] - [ 0.0002305700000000, 0.0010878300000000, -0.0003016300000000 ] - [ -0.0005947500000000, 0.0017011000000000, 0.0004329200000000 ] - [ 0.0011429800000000, 0.0005740000000000, -0.0012406600000000 ] - [ 0.0005039500000000, 0.0003025700000000, 0.0000496700000000 ] - [ -0.0020429100000000, -0.0000654000000000, -0.0019339000000000 ] - [ -0.0014546300000000, 0.0015184100000000, -0.0003510600000000 ] - [ -0.0006067000000000, -0.0003428500000000, 0.0002352300000000 ] - [ 0.0017510900000000, -0.0023624800000000, 0.0007424400000000 ] - [ 0.0011922600000000, 0.0003096100000000, 0.0000731000000000 ] - [ -0.0016972400000000, -0.0011203300000000, 0.0010775700000000 ] - [ 0.0006812600000000, 0.0001281800000000, -0.0000195900000000 ] - [ 0.0012472200000000, 0.0003979800000000, 0.0001272900000000 ] - [ 0.0016578400000000, -0.0035844300000000, -0.0005971700000000 ] - [ 0.0000002000000000, 0.0008709600000000, -0.0002527800000000 ] - [ -0.0001435000000000, 0.0003410300000000, 0.0007696500000000 ] - [ 0.0028437900000000, -0.0038301100000000, 0.0018701600000000 ] - [ -0.0004003000000000, 0.0005078900000000, -0.0001938500000000 ] - [ -0.0008148000000000, 0.0013256500000000, 0.0005047600000000 ] - [ 0.0015980300000000, 0.0017035600000000, -0.0023475700000000 ] - [ -0.0000948600000000, 0.0002312800000000, 0.0000139600000000 ] - [ 0.0003291400000000, -0.0000560100000000, -0.0002258900000000 ] - [ -0.0002105500000000, 0.0008871800000000, -0.0001731000000000 ] - [ -0.0001165400000000, -0.0000241900000000, 0.0008094700000000 ] - [ -0.0004120100000000, -0.0011372800000000, -0.0001273000000000 ] - [ 0.0000255100000000, 0.0012088600000000, 0.0000733600000000 ] - [ 0.0002189000000000, 0.0001277400000000, -0.0000619300000000 ] - [ -0.0005448900000000, -0.0002498000000000, -0.0002450900000000 ] - [ -0.0004687300000000, 0.0005942000000000, -0.0001383700000000 ] - [ 0.0005514600000000, 0.0002466900000000, 0.0007281000000000 ] - [ 0.0023462700000000, -0.0031849300000000, -0.0014905900000000 ] - [ -0.0006203500000000, 0.0005467800000000, -0.0002435900000000 ] - [ -0.0009703400000000, -0.0006157400000000, -0.0003174900000000 ] - [ -0.0004759100000000, 0.0000282100000000, -0.0000504100000000 ] - [ -0.0011843200000000, -0.0007549800000000, -0.0001443300000000 ] - [ -0.0001281100000000, 0.0002795000000000, -0.0001748200000000 ] - [ 0.0000349200000000, -0.0000397300000000, 0.0001404400000000 ] - [ -0.0005180600000000, -0.0000758700000000, 0.0000466200000000 ] - [ 0.0013303300000000, 0.0008855900000000, 0.0003758300000000 ] - [ -0.0007242200000000, 0.0001717100000000, 0.0000786300000000 ] - [ 0.0002469800000000, 0.0002469600000000, -0.0000487300000000 ] - [ 0.0000020700000000, 0.0002787200000000, -0.0000797600000000 ] - [ -0.0004670500000000, 0.0004186200000000, -0.0000356700000000 ] - [ -0.0000821100000000, 0.0004586100000000, -0.0001188300000000 ] - [ 0.0001083100000000, -0.0001649400000000, -0.0001217600000000 ] - [ -0.0000055000000000, 0.0000366900000000, -0.0000030500000000 ] - [ -0.0003753800000000, 0.0002529500000000, -0.0001142200000000 ] - [ -0.0008432800000000, 0.0004427400000000, 0.0001770600000000 ] - [ 0.0007737700000000, 0.0000081300000000, -0.0002737300000000 ] - [ -0.0005386600000000, 0.0001553300000000, -0.0000531900000000 ] - [ -0.0000469800000000, -0.0001631800000000, -0.0000207200000000 ] - [ -0.0004383700000000, -0.0004983700000000, -0.0000289100000000 ] - [ -0.0004912100000000, -0.0004526900000000, 0.0001752700000000 ] - [ -0.0007840600000000, 0.0012435500000000, 0.0001815100000000 ] - [ -0.0004291000000000, 0.0004044900000000, 0.0008335000000000 ] - [ -0.0001678100000000, 0.0001026900000000, -0.0001224700000000 ] - [ 0.0023406000000000, -0.0029227800000000, -0.0012168700000000 ] - [ 0.0000536400000000, 0.0008233800000000, 0.0002183100000000 ] - [ -0.0007819500000000, -0.0000217200000000, 0.0001513100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000375400000000, 0.0000098700000000, 0.0005693800000000 ] - [ -0.0000709300000000, -0.0000911200000000, -0.0004080900000000 ] - [ 0.0000421100000000, 0.0000726200000000, 0.0002900700000000 ] - [ -0.0000651600000000, -0.0000721900000000, 0.0000250600000000 ] - [ 0.0025460100000000, 0.0016326700000000, -0.0247752400000000 ] - [ 0.0001910900000000, 0.0000409900000000, -0.0006302300000000 ] - [ 0.0000074900000000, -0.0000057300000000, -0.0000079500000000 ] - [ 0.0000234100000000, 0.0000302800000000, -0.0000998400000000 ] - [ 0.0000748500000000, -0.0000093200000000, 0.0004497100000000 ] - [ -0.0000993500000000, -0.0002164200000000, 0.0046612600000000 ] - [ 0.0001410800000000, 0.0000973000000000, 0.0000524000000000 ] - [ -0.0000853900000000, -0.0000875700000000, -0.0004346800000000 ] - [ 0.0000104000000000, -0.0000490500000000, 0.0004688300000000 ] - [ -0.0000420800000000, 0.0000341000000000, -0.0006922900000000 ] - [ -0.0000955100000000, 0.0000136500000000, 0.0002903100000000 ] - [ -0.0000457600000000, 0.0000781300000000, 0.0001996500000000 ] - [ -0.0000038300000000, -0.0000262900000000, 0.0001478100000000 ] - [ -0.0000274600000000, -0.0000060400000000, 0.0005340900000000 ] - [ -0.0000191400000000, 0.0001709800000000, -0.0000465000000000 ] - [ 0.0000032000000000, 0.0000286900000000, 0.0000816500000000 ] - [ 0.0001440800000000, -0.0000736500000000, -0.0000459600000000 ] - [ 0.0000046400000000, -0.0000026400000000, 0.0000874000000000 ] - [ 0.0000119900000000, -0.0001293900000000, 0.0004514100000000 ] - [ -0.0002005200000000, 0.0001281800000000, 0.0004521600000000 ] - [ -0.0000266500000000, -0.0005880100000000, -0.0003307100000000 ] - [ -0.0002317100000000, 0.0001400500000000, 0.0000885000000000 ] - [ 0.0047991500000000, 0.0010231800000000, 0.0043072600000000 ] - [ 0.0010087400000000, 0.0009359800000000, -0.0008823700000000 ] - [ -0.0031192100000000, 0.0043439600000000, 0.0052580800000000 ] - [ -0.0012268600000000, -0.0057043300000000, -0.0008998300000000 ] - [ -0.0004398600000000, 0.0001446700000000, 0.0001513500000000 ] - [ 0.0000091900000000, -0.0001482000000000, 0.0002971600000000 ] - [ 0.0000206300000000, -0.0000358900000000, 0.0003052800000000 ] - [ 0.0034324200000000, -0.0000936900000000, -0.0013586700000000 ] - [ 0.0002158700000000, 0.0008743200000000, 0.0000766000000000 ] - [ -0.0000815600000000, -0.0004761700000000, -0.0002371700000000 ] - [ -0.0023674600000000, 0.0033778400000000, -0.0010089900000000 ] - [ -0.0007348600000000, 0.0005220700000000, -0.0001367000000000 ] - [ -0.0000003900000000, -0.0000674700000000, 0.0004681400000000 ] - [ 0.0000388200000000, -0.0001290700000000, -0.0001745400000000 ] - [ 0.0001329400000000, 0.0003038900000000, -0.0001058400000000 ] - [ -0.0003085100000000, -0.0011243200000000, 0.0001898400000000 ] - [ 0.0000520700000000, -0.0000813700000000, 0.0004860700000000 ] - [ -0.0000203200000000, 0.0004345100000000, -0.0006411300000000 ] - [ -0.0004072200000000, 0.0000890500000000, 0.0001892100000000 ] - [ 0.0001067300000000, 0.0006817900000000, -0.0001841800000000 ] - [ -0.0031125700000000, -0.0034429700000000, 0.0044068400000000 ] - [ 0.0004774100000000, -0.0003756900000000, -0.0001541900000000 ] - [ 0.0016801100000000, -0.0044535300000000, -0.0022444100000000 ] - [ 0.0009751300000000, 0.0002605600000000, 0.0004992300000000 ] - [ -0.0001303600000000, 0.0002244200000000, -0.0005720200000000 ] - [ 0.0005529000000000, -0.0008332800000000, 0.0002545900000000 ] - [ 0.0004565100000000, -0.0002702200000000, 0.0000955600000000 ] - [ -0.0002106300000000, -0.0005251000000000, 0.0002969400000000 ] - [ 0.0041345600000000, 0.0037183200000000, 0.0056124700000000 ] - [ 0.0004311400000000, -0.0000531400000000, -0.0005376000000000 ] - [ -0.0002406700000000, 0.0006081100000000, -0.0004553600000000 ] - [ 0.0024778400000000, 0.0047259000000000, -0.0013713800000000 ] - [ 0.0002981400000000, -0.0000923500000000, -0.0004937300000000 ] - [ 0.0002528300000000, -0.0007173400000000, 0.0005537800000000 ] - [ -0.0006031400000000, 0.0002412900000000, -0.0007044100000000 ] - [ -0.0004153700000000, -0.0003107400000000, -0.0004720100000000 ] - [ 0.0031861100000000, -0.0059185100000000, 0.0050466900000000 ] - [ -0.0006152500000000, 0.0004500600000000, 0.0000161000000000 ] - [ 0.0000417700000000, -0.0004230900000000, -0.0007189100000000 ] - [ -0.0050777000000000, -0.0004316500000000, 0.0053672300000000 ] - [ -0.0058356200000000, 0.0020681100000000, -0.0016273500000000 ] - [ 0.0000372700000000, 0.0011913300000000, -0.0000263500000000 ] - [ 0.0002285500000000, 0.0005207700000000, -0.0007149900000000 ] - [ -0.0000343200000000, -0.0004293100000000, -0.0012842600000000 ] - [ -0.0006611400000000, -0.0001807800000000, 0.0001839700000000 ] - [ 0.0001510400000000, -0.0004675800000000, 0.0004170700000000 ] - [ 0.0003448100000000, 0.0000030600000000, -0.0035444000000000 ] - [ 0.0003667300000000, -0.0000579800000000, 0.0001993100000000 ] - [ 0.0004556800000000, 0.0001169400000000, 0.0001133000000000 ] - [ -0.0003612300000000, 0.0002109200000000, 0.0000526700000000 ] - [ 0.0001409300000000, -0.0000282400000000, -0.0000337100000000 ] - [ 0.0000382600000000, 0.0003304100000000, 0.0028879000000000 ] - [ -0.0004375100000000, -0.0007590600000000, 0.0024760900000000 ] - [ 0.0009539100000000, -0.0001444300000000, -0.0003091000000000 ] - [ -0.0003578600000000, 0.0001575900000000, -0.0000334400000000 ] - [ -0.0002581800000000, 0.0002066700000000, -0.0000393300000000 ] - [ 0.0003567400000000, -0.0004571100000000, -0.0000073700000000 ] - [ -0.0007098800000000, 0.0005030000000000, -0.0003807400000000 ] - [ 0.0000688900000000, -0.0001770600000000, 0.0025180800000000 ] - [ 0.0000235100000000, 0.0004388300000000, 0.0000226600000000 ] - [ 0.0004423500000000, 0.0000934900000000, 0.0000037200000000 ] - [ 0.0000025000000000, 0.0003829700000000, -0.0041269900000000 ] - [ -0.0000750500000000, -0.0001491300000000, -0.0001661800000000 ] - [ -0.0003284400000000, 0.0003125100000000, -0.0039727600000000 ] - [ 0.0004700800000000, 0.0011809100000000, -0.0001885700000000 ] - [ 0.0001306300000000, -0.0001820100000000, 0.0000509900000000 ] - [ 0.0029845700000000, -0.0008475700000000, -0.0017818000000000 ] - [ -0.0000886000000000, -0.0000600900000000, 0.0000177100000000 ] - [ 0.0000764400000000, 0.0000319300000000, 0.0002182800000000 ] - [ -0.0002237800000000, -0.0002378000000000, 0.0000560200000000 ] - [ 0.0000409800000000, -0.0000181900000000, -0.0002487000000000 ] - [ -0.0000419300000000, -0.0032521500000000, -0.0004182200000000 ] - [ -0.0009963700000000, -0.0005104900000000, -0.0003082500000000 ] - [ -0.0000795900000000, -0.0000529800000000, -0.0000796500000000 ] - [ -0.0000413900000000, 0.0006253200000000, 0.0000394400000000 ] - [ -0.0003750400000000, 0.0013864100000000, 0.0003555800000000 ] - [ -0.0000300500000000, -0.0002972800000000, -0.0002595000000000 ] - [ -0.0003154300000000, -0.0001385900000000, 0.0001934700000000 ] - [ 0.0011274700000000, -0.0013879300000000, -0.0001962500000000 ] - [ 0.0003368700000000, -0.0003592800000000, 0.0001452400000000 ] - [ -0.0001218400000000, 0.0007558800000000, -0.0003239000000000 ] - [ -0.0002857900000000, -0.0001826100000000, 0.0000382800000000 ] - [ -0.0004132400000000, -0.0003823300000000, 0.0000357800000000 ] - [ -0.0000622300000000, -0.0000108600000000, -0.0001276000000000 ] - [ 0.0002441600000000, 0.0002678400000000, -0.0002079100000000 ] - [ 0.0006105300000000, -0.0005023500000000, 0.0002512500000000 ] - [ -0.0003779800000000, 0.0011745300000000, -0.0001051500000000 ] - [ 0.0002424000000000, -0.0000404200000000, 0.0000243800000000 ] - [ -0.0024112700000000, 0.0022028900000000, -0.0004020100000000 ] - [ -0.0013364100000000, 0.0015312200000000, -0.0001610300000000 ] - [ 0.0000869600000000, -0.0005747800000000, 0.0001123400000000 ] - [ -0.0016393900000000, -0.0016046400000000, -0.0003706400000000 ] - [ 0.0009422400000000, 0.0014260600000000, -0.0002032200000000 ] - [ 0.0003840400000000, -0.0004208300000000, 0.0031573700000000 ] - [ 0.0003112000000000, 0.0000977100000000, -0.0000941900000000 ] - [ -0.0011082100000000, -0.0015229900000000, -0.0004409900000000 ] - [ -0.0005535900000000, -0.0001949700000000, 0.0019343700000000 ] - [ 0.0005224200000000, 0.0005234200000000, -0.0003651000000000 ] - [ -0.0000294400000000, -0.0000616100000000, 0.0007231200000000 ] - [ 0.0021436500000000, -0.0008049000000000, 0.0030646600000000 ] - [ -0.0002351600000000, -0.0007455600000000, -0.0000012100000000 ] - [ 0.0008157600000000, -0.0016839900000000, -0.0003559200000000 ] - [ -0.0001844600000000, 0.0034035800000000, -0.0015606600000000 ] - [ 0.0006684500000000, 0.0000451000000000, 0.0000943300000000 ] - [ 0.0001337900000000, -0.0001393000000000, -0.0003506900000000 ] - [ 0.0001862700000000, 0.0000746500000000, 0.0001125500000000 ] - [ 0.0000374700000000, 0.0000860200000000, 0.0009056500000000 ] - [ 0.0015002500000000, 0.0001717900000000, -0.0003725400000000 ] - [ 0.0000643500000000, 0.0004031600000000, 0.0000702000000000 ] - [ 0.0000932400000000, -0.0001439100000000, 0.0000812500000000 ] - [ -0.0001658900000000, -0.0000710900000000, -0.0005438100000000 ] - [ -0.0000098300000000, -0.0000603700000000, 0.0000289100000000 ] - [ -0.0000877600000000, -0.0000045800000000, 0.0014155800000000 ] - [ -0.0006413300000000, 0.0016639700000000, 0.0027755600000000 ] - [ -0.0001601900000000, 0.0001278200000000, -0.0000678400000000 ] - [ -0.0007953600000000, 0.0000378600000000, -0.0000864200000000 ] - [ -0.0001514900000000, -0.0000083400000000, 0.0000810100000000 ] - [ -0.0013957000000000, -0.0001601900000000, -0.0003987800000000 ] - [ -0.0000432800000000, -0.0001536500000000, -0.0000961700000000 ] - [ 0.0003621000000000, -0.0002424400000000, 0.0001125400000000 ] - [ 0.0000311100000000, 0.0003121400000000, 0.0006760200000000 ] - [ -0.0005023100000000, -0.0010124200000000, -0.0003020400000000 ] - [ -0.0003388700000000, 0.0000272200000000, 0.0000510900000000 ] - [ 0.0001699600000000, -0.0000094900000000, -0.0001653600000000 ] - [ -0.0002796200000000, -0.0000698400000000, -0.0000572500000000 ] - [ -0.0000508000000000, -0.0002650300000000, -0.0001842400000000 ] - [ 0.0002592300000000, 0.0002550600000000, -0.0000276700000000 ] - [ 0.0000130500000000, -0.0001485300000000, -0.0001641600000000 ] - [ -0.0000788700000000, 0.0000513400000000, -0.0000133700000000 ] - [ -0.0001156500000000, 0.0003456200000000, 0.0000119300000000 ] - [ 0.0000610600000000, -0.0000877800000000, 0.0000539800000000 ] - [ 0.0003395200000000, -0.0000118200000000, -0.0000799500000000 ] - [ -0.0001685300000000, 0.0002232100000000, -0.0000809400000000 ] - [ 0.0003717300000000, -0.0000946700000000, -0.0000206500000000 ] - [ 0.0000981000000000, -0.0000409700000000, -0.0000836900000000 ] - [ 0.0000325100000000, -0.0004273200000000, 0.0001434600000000 ] - [ -0.0002953600000000, 0.0004893300000000, 0.0000317700000000 ] - [ -0.0000629300000000, 0.0000651200000000, 0.0007155700000000 ] - [ -0.0000255200000000, -0.0009591000000000, -0.0003559600000000 ] - [ -0.0016413700000000, -0.0010523500000000, -0.0009191200000000 ] - [ 0.0000162600000000, 0.0003705800000000, 0.0001211000000000 ] - [ -0.0003923800000000, -0.0001751000000000, 0.0001593800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000848200000000, 0.0000236900000000, -0.0003425400000000 ] - [ 0.0000687600000000, 0.0000903300000000, 0.0005315300000000 ] - [ 0.0000702300000000, 0.0000757500000000, 0.0001686000000000 ] - [ -0.0000469200000000, -0.0000775000000000, 0.0004336800000000 ] - [ -0.0029939100000000, -0.0015526300000000, 0.0248311800000000 ] - [ -0.0000091300000000, -0.0000603800000000, 0.0010906100000000 ] - [ -0.0000067600000000, 0.0000060600000000, 0.0001151800000000 ] - [ 0.0000245700000000, -0.0000639700000000, 0.0003269600000000 ] - [ -0.0000762800000000, 0.0000086500000000, -0.0003437300000000 ] - [ 0.0001663000000000, 0.0000595100000000, -0.0042027600000000 ] - [ 0.0001516300000000, 0.0001080400000000, -0.0000185200000000 ] - [ 0.0000874900000000, 0.0000901200000000, 0.0004885900000000 ] - [ -0.0000096000000000, 0.0000506300000000, -0.0003447600000000 ] - [ -0.0000092300000000, -0.0000540000000000, 0.0009186700000000 ] - [ -0.0000900100000000, 0.0000078600000000, 0.0001695500000000 ] - [ -0.0000274100000000, 0.0000904900000000, 0.0002602700000000 ] - [ -0.0000008500000000, -0.0000300200000000, 0.0000780800000000 ] - [ 0.0000782500000000, 0.0000277500000000, -0.0003071600000000 ] - [ -0.0000142000000000, 0.0001863000000000, 0.0000809300000000 ] - [ 0.0000020200000000, 0.0000271500000000, 0.0001445100000000 ] - [ 0.0001826900000000, -0.0000784800000000, 0.0000815100000000 ] - [ -0.0000053500000000, 0.0000009100000000, -0.0000342600000000 ] - [ 0.0000222000000000, -0.0002284800000000, -0.0004177600000000 ] - [ -0.0001261300000000, 0.0000246600000000, -0.0004169400000000 ] - [ -0.0001091600000000, -0.0006906600000000, -0.0001696400000000 ] - [ -0.0000354900000000, 0.0002171200000000, -0.0001344600000000 ] - [ -0.0034665700000000, -0.0021217600000000, -0.0044136800000000 ] - [ 0.0001592000000000, -0.0004054000000000, 0.0003852700000000 ] - [ 0.0031148600000000, -0.0043361400000000, -0.0044683300000000 ] - [ 0.0009239900000000, 0.0040433400000000, 0.0008105300000000 ] - [ -0.0011608300000000, -0.0007152600000000, -0.0002554000000000 ] - [ 0.0000074800000000, 0.0001020600000000, 0.0005051400000000 ] - [ -0.0000693100000000, 0.0000479800000000, 0.0004984200000000 ] - [ -0.0044871900000000, 0.0008535700000000, 0.0008812300000000 ] - [ 0.0000917700000000, 0.0007887000000000, -0.0001849500000000 ] - [ -0.0003499100000000, 0.0004111200000000, 0.0001969800000000 ] - [ 0.0023861200000000, -0.0033320200000000, 0.0017826600000000 ] - [ -0.0005677900000000, 0.0005743600000000, 0.0000281200000000 ] - [ -0.0000203600000000, 0.0000256500000000, 0.0003312400000000 ] - [ 0.0002288800000000, -0.0002283500000000, 0.0001288500000000 ] - [ 0.0000447500000000, 0.0001113200000000, 0.0000693200000000 ] - [ -0.0008599300000000, 0.0005908100000000, -0.0006892600000000 ] - [ -0.0000026300000000, 0.0000687600000000, 0.0003176200000000 ] - [ 0.0016220200000000, 0.0001366800000000, 0.0005387400000000 ] - [ 0.0008420900000000, -0.0000257600000000, -0.0002318800000000 ] - [ 0.0000298100000000, 0.0005961400000000, -0.0003165200000000 ] - [ 0.0029015600000000, 0.0030098600000000, -0.0044464500000000 ] - [ 0.0005723400000000, -0.0003816200000000, -0.0003442800000000 ] - [ -0.0014134800000000, 0.0034305800000000, 0.0011436800000000 ] - [ 0.0006885700000000, 0.0001168500000000, 0.0001748600000000 ] - [ -0.0000874700000000, 0.0004044100000000, -0.0007022200000000 ] - [ 0.0006181200000000, -0.0004116700000000, 0.0004151500000000 ] - [ 0.0002042200000000, -0.0002884600000000, 0.0002642000000000 ] - [ 0.0000501100000000, -0.0003026600000000, 0.0000533500000000 ] - [ -0.0053203800000000, -0.0025066800000000, -0.0049500900000000 ] - [ 0.0002864500000000, -0.0000656800000000, -0.0007281200000000 ] - [ -0.0000296600000000, 0.0004248700000000, -0.0006808100000000 ] - [ -0.0023157800000000, -0.0038890300000000, 0.0016999600000000 ] - [ -0.0010750500000000, -0.0001952300000000, 0.0008408900000000 ] - [ -0.0007531500000000, -0.0009101100000000, 0.0001176500000000 ] - [ -0.0004529800000000, 0.0000374700000000, -0.0004334400000000 ] - [ -0.0003280800000000, -0.0004604800000000, -0.0006642200000000 ] - [ -0.0020965300000000, 0.0056131500000000, -0.0061741500000000 ] - [ 0.0002004000000000, -0.0010227700000000, -0.0012861800000000 ] - [ 0.0001770900000000, -0.0002058900000000, -0.0005555600000000 ] - [ 0.0044467900000000, 0.0010170000000000, -0.0050036000000000 ] - [ 0.0051166900000000, -0.0019598800000000, 0.0003434700000000 ] - [ 0.0004642400000000, 0.0004345000000000, 0.0006960700000000 ] - [ 0.0005157200000000, 0.0002494100000000, -0.0004206300000000 ] - [ 0.0004498300000000, 0.0009994000000000, 0.0000126200000000 ] - [ -0.0010018700000000, -0.0001972100000000, 0.0004898700000000 ] - [ 0.0006259900000000, 0.0007550200000000, -0.0000678900000000 ] - [ 0.0002611200000000, 0.0002892500000000, 0.0037202800000000 ] - [ 0.0003612600000000, 0.0004110300000000, 0.0000636300000000 ] - [ 0.0004074800000000, 0.0001410100000000, 0.0001518900000000 ] - [ -0.0004223200000000, 0.0002500100000000, 0.0000269200000000 ] - [ 0.0000286300000000, -0.0001263800000000, -0.0000090300000000 ] - [ 0.0001354500000000, -0.0000311000000000, -0.0030161700000000 ] - [ 0.0003769900000000, 0.0012025600000000, -0.0027233000000000 ] - [ -0.0020528200000000, 0.0001081700000000, 0.0003105300000000 ] - [ -0.0003532200000000, 0.0000939300000000, -0.0000189700000000 ] - [ -0.0003067000000000, 0.0001790400000000, 0.0002161900000000 ] - [ 0.0002602700000000, -0.0005224600000000, 0.0000281700000000 ] - [ -0.0006883000000000, 0.0003946200000000, -0.0003336200000000 ] - [ 0.0005007400000000, -0.0002011400000000, -0.0023363000000000 ] - [ -0.0000330700000000, 0.0004720200000000, 0.0000564000000000 ] - [ 0.0006505700000000, -0.0000547700000000, -0.0000057700000000 ] - [ -0.0001635300000000, -0.0000778700000000, 0.0040101400000000 ] - [ -0.0001091800000000, -0.0001327500000000, 0.0000463000000000 ] - [ 0.0004245900000000, 0.0000635100000000, 0.0035424800000000 ] - [ -0.0004190700000000, -0.0009596400000000, 0.0001458000000000 ] - [ 0.0000904500000000, -0.0003132200000000, 0.0000360600000000 ] - [ -0.0024677300000000, 0.0010286200000000, 0.0016392300000000 ] - [ 0.0003102700000000, 0.0001226600000000, -0.0000612500000000 ] - [ 0.0000780000000000, -0.0000024700000000, 0.0013995700000000 ] - [ 0.0001727200000000, 0.0000160700000000, -0.0000967200000000 ] - [ -0.0004283600000000, 0.0003150600000000, -0.0000820300000000 ] - [ 0.0004675200000000, 0.0028754400000000, 0.0003141800000000 ] - [ -0.0004739700000000, -0.0002477600000000, -0.0004036800000000 ] - [ -0.0000337600000000, -0.0004995300000000, -0.0000606700000000 ] - [ -0.0000745800000000, 0.0000920400000000, -0.0000817200000000 ] - [ 0.0005877300000000, -0.0005136600000000, -0.0000928400000000 ] - [ -0.0000204900000000, -0.0003836800000000, 0.0004347000000000 ] - [ -0.0002995600000000, -0.0001566800000000, -0.0000143800000000 ] - [ -0.0016858200000000, 0.0008990200000000, 0.0001529100000000 ] - [ 0.0003165100000000, -0.0002575800000000, 0.0001182300000000 ] - [ 0.0002027400000000, 0.0008985300000000, -0.0003908200000000 ] - [ -0.0000247500000000, -0.0002671900000000, 0.0000456700000000 ] - [ -0.0003852100000000, -0.0000636700000000, 0.0000476400000000 ] - [ -0.0003943700000000, -0.0001841400000000, -0.0002083100000000 ] - [ 0.0002117500000000, -0.0000730300000000, -0.0001286500000000 ] - [ -0.0003000600000000, 0.0009531000000000, -0.0001647600000000 ] - [ 0.0003893300000000, -0.0020943400000000, 0.0001765600000000 ] - [ 0.0003031000000000, -0.0000092600000000, 0.0000617300000000 ] - [ 0.0017509500000000, -0.0017706300000000, 0.0006413800000000 ] - [ 0.0006047200000000, -0.0018805900000000, 0.0004255600000000 ] - [ -0.0003009400000000, -0.0002962700000000, 0.0001552400000000 ] - [ 0.0014663300000000, 0.0017497200000000, 0.0003394900000000 ] - [ -0.0004041800000000, -0.0004471100000000, 0.0002059600000000 ] - [ -0.0002833600000000, 0.0002933700000000, -0.0015322700000000 ] - [ 0.0000333000000000, -0.0001606200000000, -0.0001717800000000 ] - [ 0.0010413400000000, 0.0014146900000000, 0.0004561800000000 ] - [ 0.0005683200000000, 0.0005576400000000, -0.0023167900000000 ] - [ 0.0009466500000000, 0.0002350500000000, -0.0003464800000000 ] - [ -0.0000255500000000, -0.0000882500000000, 0.0008919700000000 ] - [ -0.0011857100000000, 0.0002519400000000, -0.0027976400000000 ] - [ -0.0002998500000000, -0.0002340000000000, 0.0000021300000000 ] - [ -0.0006991800000000, 0.0009712200000000, 0.0003120700000000 ] - [ -0.0004661300000000, -0.0027710600000000, 0.0018358800000000 ] - [ 0.0001286400000000, 0.0004021700000000, -0.0000114100000000 ] - [ 0.0001451900000000, -0.0001240900000000, -0.0000810100000000 ] - [ 0.0001771900000000, 0.0000361300000000, -0.0005403000000000 ] - [ 0.0000169500000000, 0.0000637100000000, 0.0007090100000000 ] - [ -0.0017239100000000, -0.0002392600000000, 0.0003274600000000 ] - [ 0.0000034800000000, -0.0002905200000000, -0.0000542600000000 ] - [ 0.0000638600000000, -0.0001577200000000, -0.0002013900000000 ] - [ -0.0001988100000000, -0.0000378600000000, 0.0001167200000000 ] - [ 0.0000830900000000, -0.0000637700000000, -0.0000129300000000 ] - [ -0.0000670000000000, -0.0000241900000000, 0.0002024500000000 ] - [ 0.0003940800000000, -0.0013633000000000, -0.0029021400000000 ] - [ -0.0001190200000000, 0.0001352700000000, -0.0003643700000000 ] - [ 0.0009291900000000, -0.0000414700000000, 0.0001007600000000 ] - [ -0.0001878100000000, 0.0000225100000000, -0.0002030900000000 ] - [ 0.0010499300000000, 0.0002233200000000, 0.0001343500000000 ] - [ -0.0000472100000000, -0.0002150100000000, -0.0003345600000000 ] - [ 0.0003056900000000, -0.0001970500000000, 0.0001467100000000 ] - [ 0.0000207600000000, 0.0003691000000000, -0.0005001800000000 ] - [ 0.0007135000000000, 0.0012644500000000, 0.0000335200000000 ] - [ -0.0002066300000000, 0.0000218400000000, 0.0000344600000000 ] - [ 0.0001686800000000, -0.0000049700000000, 0.0000433400000000 ] - [ -0.0002540700000000, -0.0001067300000000, -0.0000774100000000 ] - [ -0.0000124900000000, -0.0002251000000000, -0.0001517800000000 ] - [ 0.0003062300000000, 0.0002329600000000, -0.0000230200000000 ] - [ 0.0000825000000000, -0.0001440700000000, -0.0001196600000000 ] - [ 0.0000049700000000, 0.0000736600000000, 0.0000297500000000 ] - [ 0.0002284700000000, 0.0002079600000000, -0.0001521800000000 ] - [ -0.0001943800000000, 0.0000912000000000, -0.0000374800000000 ] - [ 0.0000467800000000, -0.0002845500000000, -0.0002506200000000 ] - [ -0.0002573600000000, 0.0001555500000000, -0.0000528800000000 ] - [ 0.0003389500000000, -0.0001550700000000, -0.0000324200000000 ] - [ -0.0003099500000000, -0.0002119000000000, -0.0001874100000000 ] - [ -0.0000642000000000, -0.0003765000000000, 0.0001165000000000 ] - [ -0.0003226600000000, 0.0004904200000000, -0.0000105600000000 ] - [ -0.0000469000000000, 0.0000626000000000, 0.0009087300000000 ] - [ -0.0000569800000000, -0.0006950700000000, -0.0003570700000000 ] - [ 0.0030498900000000, 0.0001543100000000, 0.0001959200000000 ] - [ 0.0000152300000000, 0.0004339800000000, 0.0001401000000000 ] - [ -0.0004699200000000, -0.0000812700000000, 0.0001056100000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0004354500000000, -0.0000291600000000, 0.0001551300000000 ] - [ 0.0002091200000000, 0.0000538500000000, 0.0000618700000000 ] - [ 0.0000948300000000, 0.0003642300000000, 0.0002232400000000 ] - [ 0.0008722800000000, -0.0006234100000000, 0.0001879500000000 ] - [ -0.0000990200000000, -0.0004125800000000, 0.0000240400000000 ] - [ -0.0004530100000000, -0.0000526700000000, 0.0001998600000000 ] - [ -0.0206494400000000, 0.0000212800000000, 0.0000896000000000 ] - [ -0.0005137000000000, 0.0000381000000000, 0.0000766300000000 ] - [ 0.0002020500000000, -0.0000001500000000, 0.0000535100000000 ] - [ 0.0000874100000000, -0.0003896700000000, 0.0002297100000000 ] - [ 0.0005732600000000, 0.0006212300000000, -0.0000586600000000 ] - [ 0.0002088200000000, -0.0000544400000000, 0.0000266500000000 ] - [ 0.0002023700000000, 0.0000014400000000, 0.0000617200000000 ] - [ 0.0006990200000000, -0.0009016900000000, 0.0002043000000000 ] - [ 0.0004680800000000, 0.0000139000000000, 0.0002364100000000 ] - [ 0.0005917300000000, 0.0010647600000000, 0.0003017300000000 ] - [ 0.0004024600000000, 0.0004848400000000, 0.0001767900000000 ] - [ 0.0005063800000000, -0.0004627400000000, 0.0000085500000000 ] - [ 0.0005487200000000, 0.0001835900000000, 0.0000085500000000 ] - [ 0.0009169600000000, 0.0007049100000000, 0.0000582700000000 ] - [ 0.0001967100000000, 0.0002193800000000, 0.0000193500000000 ] - [ -0.0022522500000000, -0.0000001600000000, 0.0000263100000000 ] - [ -0.0003964600000000, -0.0001538800000000, 0.0000626100000000 ] - [ 0.0002709600000000, -0.0003785500000000, 0.0000474900000000 ] - [ 0.0003341100000000, -0.0002424600000000, -0.0003018600000000 ] - [ 0.0009206200000000, 0.0004889100000000, -0.0000767000000000 ] - [ 0.0004731000000000, -0.0010163200000000, -0.0000356200000000 ] - [ 0.0014731300000000, -0.0002748900000000, -0.0001747900000000 ] - [ -0.0000038400000000, -0.0011114300000000, 0.0004767300000000 ] - [ 0.0003302500000000, -0.0012662800000000, -0.0001248800000000 ] - [ 0.0001335600000000, -0.0006891300000000, -0.0000614300000000 ] - [ 0.0021928900000000, -0.0002565400000000, 0.0002850000000000 ] - [ 0.0001810500000000, 0.0009922900000000, 0.0004523000000000 ] - [ -0.0006911800000000, -0.0001141400000000, -0.0002722300000000 ] - [ 0.0004756400000000, 0.0013581000000000, -0.0000629500000000 ] - [ -0.0024859000000000, -0.0049764000000000, -0.0042305200000000 ] - [ 0.0001490300000000, -0.0013163800000000, 0.0004649800000000 ] - [ 0.0003887400000000, 0.0010324400000000, 0.0000002900000000 ] - [ -0.0000023400000000, 0.0007640900000000, 0.0003953700000000 ] - [ -0.0022253400000000, 0.0053103000000000, -0.0028297200000000 ] - [ 0.0067794700000000, 0.0005635200000000, 0.0069572100000000 ] - [ -0.0038833400000000, -0.0034849900000000, -0.0023232400000000 ] - [ 0.0016932100000000, -0.0001838500000000, 0.0003303400000000 ] - [ 0.0007662300000000, 0.0007911900000000, -0.0000356600000000 ] - [ 0.0002164500000000, 0.0004924900000000, 0.0000220100000000 ] - [ 0.0031194600000000, 0.0006764300000000, 0.0028496600000000 ] - [ 0.0003071600000000, -0.0007351100000000, -0.0000071200000000 ] - [ -0.0024255000000000, 0.0035371100000000, -0.0012538300000000 ] - [ 0.0003233500000000, -0.0015945300000000, -0.0008522200000000 ] - [ 0.0018364200000000, 0.0006102100000000, 0.0003483400000000 ] - [ 0.0031229100000000, -0.0004743300000000, -0.0032648100000000 ] - [ 0.0100059900000000, 0.0002067800000000, -0.0078330300000000 ] - [ 0.0013680800000000, 0.0003289400000000, 0.0000817800000000 ] - [ 0.0003827400000000, 0.0001672200000000, 0.0001692100000000 ] - [ -0.0002129800000000, 0.0000186900000000, 0.0003371000000000 ] - [ -0.0026714700000000, 0.0021454700000000, -0.0001870600000000 ] - [ -0.0001304500000000, 0.0017395000000000, -0.0006927400000000 ] - [ 0.0005636000000000, -0.0000703700000000, 0.0002351100000000 ] - [ -0.0005747900000000, 0.0003975500000000, 0.0002126800000000 ] - [ -0.0004484900000000, -0.0003577300000000, 0.0003221400000000 ] - [ 0.0016330400000000, 0.0002586600000000, -0.0002207100000000 ] - [ 0.0016615500000000, -0.0002148100000000, -0.0004294300000000 ] - [ 0.0006346900000000, -0.0011982400000000, -0.0005817000000000 ] - [ -0.0027108100000000, -0.0050181900000000, 0.0015381000000000 ] - [ 0.0006958000000000, 0.0001797400000000, -0.0005783200000000 ] - [ -0.0002994900000000, -0.0002401100000000, 0.0001258900000000 ] - [ -0.0003842300000000, -0.0005566100000000, -0.0006833000000000 ] - [ -0.0013717100000000, -0.0072336500000000, 0.0047642500000000 ] - [ 0.0005093700000000, 0.0016143000000000, -0.0006314000000000 ] - [ 0.0014501900000000, -0.0003056500000000, -0.0006437900000000 ] - [ -0.0046069000000000, 0.0058258400000000, 0.0041359600000000 ] - [ 0.0015895100000000, -0.0001992000000000, 0.0002342100000000 ] - [ 0.0003110100000000, 0.0003655500000000, 0.0000904300000000 ] - [ -0.0005276000000000, 0.0006608000000000, -0.0000167900000000 ] - [ -0.0004543200000000, -0.0003530700000000, 0.0000758100000000 ] - [ -0.0012206100000000, -0.0003282100000000, -0.0000273300000000 ] - [ -0.0001812400000000, -0.0003337400000000, -0.0000576800000000 ] - [ -0.0000098700000000, 0.0007843200000000, 0.0000697000000000 ] - [ -0.0001686600000000, 0.0006855800000000, -0.0002408400000000 ] - [ -0.0005096100000000, 0.0000349300000000, -0.0000304700000000 ] - [ -0.0021721100000000, 0.0002063200000000, 0.0002260600000000 ] - [ -0.0004268900000000, -0.0000632600000000, 0.0000704700000000 ] - [ -0.0000338500000000, -0.0006129200000000, -0.0000130200000000 ] - [ 0.0004907900000000, -0.0017952500000000, 0.0023518900000000 ] - [ 0.0000122700000000, 0.0001011900000000, 0.0000678000000000 ] - [ -0.0001963100000000, 0.0000506700000000, 0.0000698700000000 ] - [ 0.0048682300000000, 0.0000766900000000, 0.0007805100000000 ] - [ -0.0000793400000000, 0.0006174900000000, -0.0000850500000000 ] - [ -0.0000732900000000, -0.0005571500000000, 0.0000265600000000 ] - [ -0.0000968600000000, 0.0004450300000000, -0.0002323100000000 ] - [ -0.0003185800000000, 0.0002401300000000, -0.0000093100000000 ] - [ -0.0022557100000000, -0.0005016800000000, 0.0011183000000000 ] - [ 0.0005112900000000, 0.0006352500000000, -0.0000325600000000 ] - [ -0.0007413700000000, -0.0000423600000000, 0.0001454900000000 ] - [ 0.0009690900000000, 0.0011559700000000, 0.0003346700000000 ] - [ -0.0002009800000000, -0.0004916200000000, -0.0001055400000000 ] - [ 0.0028996100000000, 0.0006401100000000, 0.0002698200000000 ] - [ -0.0000853200000000, 0.0001693600000000, -0.0001008500000000 ] - [ -0.0015234400000000, -0.0004025000000000, -0.0005456000000000 ] - [ -0.0009423800000000, 0.0002116300000000, 0.0000348900000000 ] - [ -0.0009866200000000, 0.0009890200000000, -0.0000565000000000 ] - [ 0.0004779400000000, 0.0013895300000000, 0.0006075800000000 ] - [ -0.0005062800000000, -0.0002320600000000, 0.0001045500000000 ] - [ -0.0008273500000000, -0.0003880700000000, 0.0001277700000000 ] - [ -0.0000219700000000, 0.0003651500000000, -0.0000419600000000 ] - [ -0.0015498400000000, -0.0001547200000000, -0.0005243200000000 ] - [ -0.0001182200000000, 0.0005233500000000, -0.0002760700000000 ] - [ -0.0000081200000000, -0.0007013900000000, 0.0000627300000000 ] - [ -0.0013076100000000, 0.0001820700000000, 0.0000965100000000 ] - [ -0.0004247600000000, -0.0005383400000000, -0.0002388700000000 ] - [ -0.0000679500000000, 0.0013800200000000, 0.0009216400000000 ] - [ 0.0000278400000000, 0.0019895700000000, -0.0005642400000000 ] - [ -0.0002342100000000, -0.0000824700000000, 0.0000357200000000 ] - [ -0.0005137800000000, -0.0004001200000000, 0.0000372400000000 ] - [ -0.0001821300000000, 0.0008248600000000, 0.0002392600000000 ] - [ 0.0000918600000000, 0.0009652600000000, 0.0002093800000000 ] - [ 0.0001866100000000, -0.0010356700000000, 0.0000855300000000 ] - [ -0.0003317000000000, 0.0004352900000000, -0.0001031100000000 ] - [ -0.0000383000000000, 0.0007841700000000, 0.0000533700000000 ] - [ 0.0001309100000000, 0.0001257100000000, 0.0008236800000000 ] - [ -0.0007450400000000, -0.0000530500000000, -0.0003276000000000 ] - [ -0.0003236000000000, 0.0003697000000000, -0.0000021100000000 ] - [ -0.0002348600000000, 0.0005411200000000, -0.0000518100000000 ] - [ 0.0051934400000000, 0.0005407900000000, -0.0012178000000000 ] - [ -0.0005756500000000, -0.0002042200000000, 0.0011196000000000 ] - [ 0.0005442700000000, 0.0003908700000000, -0.0000460100000000 ] - [ 0.0021015400000000, 0.0015953300000000, -0.0015333700000000 ] - [ 0.0001095900000000, 0.0013225300000000, -0.0002628600000000 ] - [ -0.0005211000000000, 0.0007875600000000, 0.0002356900000000 ] - [ 0.0006714300000000, -0.0003788900000000, 0.0001120700000000 ] - [ -0.0003233500000000, -0.0002344200000000, -0.0001976900000000 ] - [ 0.0010249800000000, 0.0028133400000000, -0.0004326800000000 ] - [ -0.0002439000000000, -0.0002160900000000, 0.0007941200000000 ] - [ -0.0000812500000000, -0.0000269000000000, 0.0000037500000000 ] - [ -0.0012099300000000, 0.0026958000000000, 0.0026613200000000 ] - [ -0.0010000800000000, -0.0000912000000000, -0.0001916100000000 ] - [ -0.0001694600000000, -0.0002531900000000, -0.0002150900000000 ] - [ -0.0004228000000000, -0.0029941100000000, -0.0018747200000000 ] - [ -0.0005906500000000, 0.0002362300000000, 0.0008106000000000 ] - [ -0.0003422100000000, 0.0006306400000000, 0.0000291300000000 ] - [ 0.0020620200000000, -0.0016780500000000, -0.0004183600000000 ] - [ 0.0002043500000000, -0.0000020400000000, 0.0000238700000000 ] - [ -0.0002536500000000, -0.0004865300000000, -0.0000585400000000 ] - [ -0.0000290300000000, -0.0000048600000000, -0.0001601600000000 ] - [ -0.0025837300000000, -0.0009012000000000, 0.0002032000000000 ] - [ 0.0005303300000000, -0.0016037900000000, 0.0003514100000000 ] - [ 0.0000932700000000, 0.0001520000000000, 0.0000701900000000 ] - [ -0.0002721100000000, 0.0003654200000000, -0.0001044400000000 ] - [ 0.0002312900000000, -0.0011592200000000, -0.0004265900000000 ] - [ -0.0005861500000000, 0.0000005100000000, -0.0001226700000000 ] - [ -0.0011173800000000, -0.0005510900000000, 0.0000031200000000 ] - [ 0.0006806400000000, -0.0022916000000000, -0.0016847900000000 ] - [ 0.0007821500000000, -0.0004944700000000, -0.0000322100000000 ] - [ -0.0003081900000000, -0.0004962200000000, -0.0001455700000000 ] - [ -0.0004819100000000, -0.0000952800000000, 0.0000019900000000 ] - [ 0.0001936400000000, -0.0002527800000000, -0.0001061400000000 ] - [ 0.0039077900000000, 0.0005283000000000, -0.0007721500000000 ] - [ -0.0007690800000000, -0.0001513700000000, -0.0000218700000000 ] - [ -0.0004831200000000, -0.0002712500000000, -0.0002058400000000 ] - [ 0.0000029800000000, -0.0005352800000000, 0.0000261800000000 ] - [ -0.0002978300000000, -0.0005715000000000, -0.0000310400000000 ] - [ -0.0002805300000000, -0.0007600100000000, 0.0001679400000000 ] - [ 0.0013587300000000, -0.0000867800000000, 0.0006898800000000 ] - [ 0.0012146700000000, -0.0006791700000000, 0.0009691900000000 ] - [ 0.0007348800000000, 0.0009352400000000, -0.0021898800000000 ] - [ 0.0004676000000000, -0.0000678900000000, -0.0002477100000000 ] - [ -0.0018460100000000, 0.0005063400000000, -0.0001733900000000 ] - [ -0.0004916700000000, -0.0015205200000000, 0.0003154400000000 ]- atom: 7 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0003884500000000, 0.0000638700000000, 0.0000716500000000 ] - [ -0.0002097700000000, -0.0000551300000000, 0.0000619800000000 ] - [ 0.0000171200000000, -0.0002162800000000, 0.0002355200000000 ] - [ -0.0009819900000000, 0.0004712200000000, 0.0002709800000000 ] - [ -0.0001938100000000, 0.0002075800000000, 0.0000098800000000 ] - [ 0.0006399900000000, 0.0000284400000000, 0.0002603800000000 ] - [ 0.0209197000000000, 0.0000209300000000, 0.0000894100000000 ] - [ 0.0005612800000000, -0.0000682800000000, 0.0001504300000000 ] - [ -0.0002025400000000, -0.0000001100000000, 0.0000536800000000 ] - [ -0.0000145300000000, 0.0002212300000000, 0.0002302400000000 ] - [ -0.0002798700000000, -0.0004177500000000, 0.0000924700000000 ] - [ -0.0002078900000000, 0.0000563500000000, 0.0000266300000000 ] - [ -0.0002018900000000, -0.0000014300000000, 0.0000618900000000 ] - [ -0.0007525400000000, 0.0008827600000000, 0.0000213800000000 ] - [ -0.0006537300000000, 0.0000079700000000, 0.0002235500000000 ] - [ -0.0006667700000000, -0.0008997200000000, 0.0001580900000000 ] - [ -0.0004083200000000, -0.0005399800000000, 0.0000500200000000 ] - [ -0.0004550800000000, 0.0004870800000000, 0.0002189100000000 ] - [ -0.0005814700000000, 0.0001739300000000, 0.0000258400000000 ] - [ -0.0009087600000000, -0.0006440500000000, 0.0001675300000000 ] - [ 0.0001296000000000, -0.0003720200000000, 0.0000161600000000 ] - [ 0.0022517800000000, -0.0000011100000000, 0.0000262700000000 ] - [ 0.0004294500000000, -0.0002052200000000, -0.0000285400000000 ] - [ -0.0005979900000000, 0.0005302600000000, -0.0000125200000000 ] - [ -0.0004713000000000, -0.0010348200000000, -0.0001989600000000 ] - [ -0.0011872300000000, -0.0001299000000000, 0.0000310900000000 ] - [ 0.0008293900000000, -0.0000807400000000, -0.0000729700000000 ] - [ -0.0003040500000000, 0.0008085400000000, -0.0003245300000000 ] - [ -0.0000115000000000, 0.0011572900000000, 0.0003257300000000 ] - [ -0.0006385700000000, -0.0003976100000000, 0.0000166100000000 ] - [ -0.0017340600000000, 0.0001168800000000, -0.0000419200000000 ] - [ -0.0021808100000000, 0.0002117200000000, 0.0005174500000000 ] - [ -0.0002333000000000, -0.0009815100000000, 0.0003511000000000 ] - [ -0.0003579600000000, 0.0008727900000000, -0.0002257600000000 ] - [ -0.0001681200000000, 0.0003029700000000, -0.0000453300000000 ] - [ 0.0020219700000000, 0.0048965800000000, 0.0041824000000000 ] - [ -0.0001299200000000, 0.0013596400000000, 0.0003342100000000 ] - [ -0.0016916300000000, 0.0000622200000000, -0.0001093400000000 ] - [ -0.0000162200000000, -0.0008051800000000, 0.0004042800000000 ] - [ 0.0024674100000000, -0.0056631100000000, 0.0027894900000000 ] - [ -0.0066743200000000, -0.0001468900000000, -0.0070758200000000 ] - [ 0.0027444700000000, 0.0029605300000000, 0.0018317300000000 ] - [ -0.0016413500000000, 0.0001710200000000, 0.0004729000000000 ] - [ 0.0008340600000000, -0.0002218600000000, -0.0000677400000000 ] - [ 0.0002167400000000, -0.0004285100000000, -0.0000637000000000 ] - [ -0.0029732400000000, 0.0005978500000000, -0.0033138200000000 ] - [ -0.0004851400000000, 0.0003205700000000, -0.0000295000000000 ] - [ 0.0034920000000000, -0.0042954000000000, 0.0007541300000000 ] - [ -0.0000547600000000, 0.0005623900000000, -0.0002831200000000 ] - [ -0.0001725200000000, -0.0002304300000000, 0.0003256700000000 ] - [ -0.0033409200000000, 0.0011180900000000, 0.0019690800000000 ] - [ -0.0089602900000000, -0.0014736800000000, 0.0086139300000000 ] - [ -0.0007075000000000, -0.0008894900000000, 0.0002787200000000 ] - [ -0.0005432100000000, -0.0009971600000000, 0.0001811000000000 ] - [ -0.0009579700000000, 0.0012267300000000, 0.0003329400000000 ] - [ 0.0034222300000000, -0.0022638200000000, -0.0010711600000000 ] - [ -0.0001389900000000, -0.0007062300000000, -0.0004427600000000 ] - [ -0.0004038400000000, 0.0008967400000000, 0.0001153700000000 ] - [ -0.0002035300000000, -0.0006873900000000, 0.0001357300000000 ] - [ -0.0000509400000000, -0.0012688200000000, 0.0003492900000000 ] - [ -0.0026932000000000, 0.0000201200000000, -0.0009180600000000 ] - [ -0.0024010500000000, -0.0005549800000000, -0.0007057000000000 ] - [ 0.0004227400000000, 0.0009197800000000, -0.0005558700000000 ] - [ 0.0023019600000000, 0.0044485000000000, -0.0028112700000000 ] - [ -0.0004785600000000, -0.0008080100000000, -0.0006958300000000 ] - [ -0.0003614000000000, 0.0007977300000000, 0.0002342100000000 ] - [ -0.0003330900000000, 0.0006764800000000, -0.0005826900000000 ] - [ 0.0018470100000000, 0.0088332700000000, -0.0040781700000000 ] - [ 0.0002317800000000, -0.0008455300000000, -0.0005036100000000 ] - [ -0.0010349300000000, 0.0008785000000000, -0.0006265500000000 ] - [ 0.0028894400000000, -0.0061928100000000, -0.0034673300000000 ] - [ -0.0008116100000000, 0.0004854400000000, 0.0001142500000000 ] - [ 0.0003042000000000, -0.0000695500000000, 0.0000884300000000 ] - [ 0.0012562700000000, -0.0003093500000000, 0.0002798500000000 ] - [ 0.0013162800000000, 0.0006097500000000, 0.0001888200000000 ] - [ 0.0004378200000000, 0.0007897500000000, 0.0001070300000000 ] - [ 0.0003503500000000, 0.0001806600000000, 0.0000153800000000 ] - [ 0.0001949900000000, -0.0005033200000000, -0.0001895500000000 ] - [ 0.0002314300000000, -0.0001959200000000, -0.0000953100000000 ] - [ -0.0005844500000000, -0.0000735100000000, 0.0000288300000000 ] - [ 0.0014608900000000, 0.0000433100000000, -0.0002736600000000 ] - [ -0.0001381600000000, 0.0004498300000000, 0.0001063800000000 ] - [ 0.0006514500000000, -0.0003675600000000, 0.0000337900000000 ] - [ -0.0019360100000000, 0.0026934500000000, -0.0030619700000000 ] - [ 0.0005533000000000, -0.0004865600000000, 0.0001091500000000 ] - [ 0.0001860400000000, 0.0008605400000000, 0.0000086800000000 ] - [ -0.0037783800000000, -0.0000431800000000, -0.0007863800000000 ] - [ -0.0000781200000000, -0.0003159600000000, -0.0000350200000000 ] - [ -0.0001120100000000, 0.0002749900000000, -0.0001467900000000 ] - [ 0.0001868400000000, -0.0000774600000000, -0.0001976700000000 ] - [ 0.0003698000000000, -0.0000189300000000, -0.0000319100000000 ] - [ 0.0024817900000000, 0.0000082200000000, -0.0010362800000000 ] - [ 0.0000226700000000, -0.0004575400000000, -0.0001021900000000 ] - [ 0.0009630300000000, 0.0001058000000000, -0.0001892900000000 ] - [ -0.0008189700000000, -0.0011289700000000, 0.0012807400000000 ] - [ 0.0001504000000000, 0.0002714300000000, 0.0000648800000000 ] - [ -0.0032904500000000, -0.0003426400000000, -0.0006043900000000 ] - [ 0.0005125800000000, -0.0005481300000000, -0.0000324600000000 ] - [ 0.0000526100000000, -0.0003567400000000, -0.0001661800000000 ] - [ 0.0008282900000000, -0.0007637700000000, -0.0001744300000000 ] - [ 0.0008716800000000, -0.0002734200000000, 0.0000140900000000 ] - [ -0.0002606900000000, -0.0005180400000000, -0.0003403600000000 ] - [ 0.0004555600000000, -0.0004485500000000, 0.0000708600000000 ] - [ 0.0002126000000000, 0.0000933600000000, 0.0000512000000000 ] - [ -0.0005431400000000, -0.0008533600000000, -0.0000077900000000 ] - [ 0.0022066600000000, -0.0004636600000000, 0.0007916200000000 ] - [ 0.0001991800000000, 0.0011305000000000, -0.0004382800000000 ] - [ -0.0003027900000000, 0.0002510100000000, 0.0000214100000000 ] - [ 0.0005082300000000, -0.0006276700000000, -0.0000135600000000 ] - [ -0.0000309500000000, 0.0003432100000000, -0.0000972200000000 ] - [ 0.0005257100000000, -0.0011797800000000, -0.0012493000000000 ] - [ 0.0002861400000000, -0.0015401400000000, 0.0006487600000000 ] - [ 0.0002455600000000, -0.0008283700000000, 0.0000427300000000 ] - [ 0.0010584300000000, 0.0003491400000000, 0.0000492300000000 ] - [ -0.0004848900000000, -0.0003862700000000, 0.0000194200000000 ] - [ -0.0008243800000000, -0.0013180900000000, 0.0000525200000000 ] - [ -0.0004003200000000, 0.0001635400000000, 0.0001816300000000 ] - [ 0.0001631400000000, -0.0002806900000000, 0.0000612900000000 ] - [ 0.0005735600000000, 0.0001939600000000, -0.0000531000000000 ] - [ -0.0000211600000000, -0.0002538300000000, 0.0008005700000000 ] - [ 0.0010892400000000, -0.0000096500000000, 0.0000616300000000 ] - [ 0.0002558000000000, -0.0004835700000000, 0.0000178700000000 ] - [ 0.0001398200000000, -0.0002473500000000, -0.0002321100000000 ] - [ -0.0037228600000000, 0.0002272200000000, 0.0005134800000000 ] - [ 0.0005235500000000, 0.0000521700000000, 0.0004923400000000 ] - [ 0.0002404900000000, -0.0008510300000000, 0.0001256400000000 ] - [ -0.0027114300000000, -0.0025469700000000, 0.0014751600000000 ] - [ 0.0000059100000000, -0.0020393900000000, 0.0002220900000000 ] - [ -0.0001335000000000, -0.0001729900000000, 0.0000271100000000 ] - [ 0.0001266400000000, 0.0008274200000000, -0.0000290000000000 ] - [ 0.0006019300000000, -0.0000294600000000, -0.0002342500000000 ] - [ -0.0006034700000000, -0.0027471600000000, 0.0000058500000000 ] - [ 0.0002989200000000, 0.0003648700000000, 0.0008205900000000 ] - [ -0.0001415200000000, -0.0000354200000000, -0.0000466600000000 ] - [ 0.0012704800000000, -0.0026033200000000, -0.0026643500000000 ] - [ 0.0011586600000000, -0.0002104500000000, 0.0000721200000000 ] - [ -0.0001948400000000, 0.0001439300000000, -0.0002127500000000 ] - [ 0.0005134800000000, 0.0028531300000000, 0.0018839500000000 ] - [ 0.0004365600000000, -0.0002651600000000, 0.0008075800000000 ] - [ 0.0001203200000000, -0.0001354500000000, 0.0000580300000000 ] - [ -0.0023196400000000, 0.0019577900000000, -0.0000147400000000 ] - [ -0.0000723100000000, -0.0000021600000000, -0.0000084100000000 ] - [ -0.0000836300000000, 0.0005019100000000, -0.0000633600000000 ] - [ -0.0003150300000000, 0.0000684800000000, -0.0001056800000000 ] - [ 0.0023741300000000, 0.0005206900000000, -0.0006385700000000 ] - [ 0.0001343200000000, 0.0011652300000000, -0.0000941800000000 ] - [ -0.0000418700000000, 0.0005305300000000, 0.0001056400000000 ] - [ 0.0004842600000000, -0.0001112000000000, -0.0001659700000000 ] - [ -0.0007692900000000, 0.0012095200000000, 0.0005145500000000 ] - [ 0.0009240700000000, -0.0000154200000000, 0.0000002900000000 ] - [ 0.0005844200000000, 0.0003752900000000, -0.0001376500000000 ] - [ -0.0007514400000000, 0.0018116600000000, 0.0013604400000000 ] - [ -0.0002234000000000, 0.0009794000000000, -0.0000179800000000 ] - [ 0.0004033200000000, 0.0002050900000000, -0.0001388300000000 ] - [ 0.0004085600000000, 0.0002190100000000, 0.0000143000000000 ] - [ -0.0000802100000000, 0.0008076400000000, -0.0000340400000000 ] - [ -0.0040362200000000, -0.0005348400000000, 0.0007947500000000 ] - [ 0.0011552200000000, -0.0001457900000000, -0.0003089500000000 ] - [ 0.0000562000000000, 0.0006510800000000, 0.0000726900000000 ] - [ 0.0007098600000000, 0.0002849500000000, -0.0000790400000000 ] - [ 0.0000864000000000, 0.0003201600000000, -0.0002403600000000 ] - [ 0.0002509900000000, -0.0000436300000000, 0.0000915500000000 ] - [ -0.0018871600000000, 0.0011018500000000, -0.0007518200000000 ] - [ -0.0013309400000000, 0.0008068200000000, 0.0006507800000000 ] - [ -0.0007774400000000, -0.0025978600000000, 0.0014920900000000 ] - [ 0.0009287100000000, -0.0008314400000000, -0.0004653500000000 ] - [ 0.0018738000000000, 0.0002988200000000, 0.0004296700000000 ] - [ -0.0003670700000000, 0.0012645600000000, -0.0000520500000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000544400000000, 0.0000378300000000, 0.0004677900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000333900000000 ] - [ 0.0000584400000000, 0.0000766000000000, 0.0002884000000000 ] - [ -0.0000230000000000, -0.0000601600000000, -0.0000956000000000 ] - [ -0.0001424100000000, -0.0001049100000000, -0.0000441800000000 ] - [ 0.0000636000000000, 0.0000101600000000, -0.0000956000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0190399400000000 ] - [ -0.0000185300000000, 0.0000304500000000, -0.0003634600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000841100000000 ] - [ 0.0000371200000000, -0.0000889100000000, 0.0002884000000000 ] - [ 0.0001359600000000, 0.0000664000000000, 0.0004139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000022500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000919600000000 ] - [ 0.0000356400000000, 0.0000008200000000, -0.0003634600000000 ] - [ -0.0000955600000000, 0.0000123100000000, 0.0002884000000000 ] - [ -0.0000406000000000, 0.0000500000000000, -0.0000956000000000 ] - [ -0.0000055400000000, -0.0000660600000000, 0.0004677900000000 ] - [ 0.0000599800000000, 0.0000282300000000, 0.0004677900000000 ] - [ -0.0000196500000000, 0.0001757900000000, -0.0000441800000000 ] - [ -0.0000171000000000, -0.0000312800000000, -0.0003634600000000 ] - [ 0.0001620700000000, -0.0000708800000000, -0.0000441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050439100000000 ] - [ -0.0000104700000000, -0.0001509400000000, 0.0004139600000000 ] - [ -0.0001254800000000, 0.0000845400000000, 0.0004139600000000 ] - [ -0.0001351200000000, -0.0006343100000000, -0.0003385300000000 ] - [ -0.0000681100000000, 0.0002184000000000, 0.0000647600000000 ] - [ 0.0006679100000000, -0.0004915700000000, 0.0000330600000000 ] - [ 0.0006168900000000, 0.0002001400000000, -0.0003385300000000 ] - [ 0.0002248700000000, -0.0005686600000000, 0.0007419400000000 ] - [ -0.0002171400000000, -0.0008259800000000, -0.0001507400000000 ] - [ -0.0007596600000000, -0.0003326400000000, 0.0000330600000000 ] - [ -0.0005754800000000, 0.0000361900000000, 0.0000895600000000 ] - [ 0.0003190800000000, 0.0004802800000000, 0.0000895600000000 ] - [ -0.0004817700000000, 0.0004341700000000, -0.0003385300000000 ] - [ 0.0000917600000000, 0.0008242100000000, 0.0000330600000000 ] - [ -0.0047230500000000, 0.0051374500000000, -0.0002367200000000 ] - [ 0.0002563900000000, -0.0005164700000000, 0.0000895600000000 ] - [ -0.0006067500000000, 0.0006010400000000, -0.0001507400000000 ] - [ 0.0003800400000000, 0.0004790700000000, 0.0007419400000000 ] - [ -0.0020876400000000, -0.0066590000000000, -0.0002367200000000 ] - [ 0.0068106900000000, 0.0015215500000000, -0.0002367200000000 ] - [ -0.0034847500000000, 0.0028256300000000, 0.0026608100000000 ] - [ -0.0006049100000000, 0.0000895900000000, 0.0007419400000000 ] - [ 0.0008238900000000, 0.0002249400000000, -0.0001507400000000 ] - [ 0.0002232000000000, -0.0000502100000000, 0.0000647600000000 ] - [ 0.0041894400000000, 0.0016050700000000, 0.0026608100000000 ] - [ -0.0001550800000000, -0.0001681900000000, 0.0000647600000000 ] - [ -0.0007046900000000, -0.0044306900000000, 0.0026608100000000 ] - [ -0.0002538200000000, -0.0000349000000000, -0.0009928200000000 ] - [ 0.0007641600000000, 0.0001049800000000, 0.0004324900000000 ] - [ -0.0043025600000000, 0.0011323700000000, 0.0034192400000000 ] - [ -0.0071420400000000, -0.0010720300000000, -0.0021371200000000 ] - [ 0.0002823000000000, -0.0003776200000000, 0.0000933800000000 ] - [ 0.0000420900000000, -0.0003569100000000, 0.0002688000000000 ] - [ -0.0004730000000000, 0.0006092900000000, 0.0004324900000000 ] - [ 0.0031319400000000, 0.0031599400000000, 0.0034192400000000 ] - [ -0.0003927800000000, -0.0000617500000000, -0.0000913400000000 ] - [ 0.0001858700000000, 0.0004332900000000, 0.0000933800000000 ] - [ -0.0004681800000000, -0.0000556700000000, 0.0000933800000000 ] - [ -0.0002911600000000, -0.0007142700000000, 0.0004324900000000 ] - [ 0.0000966800000000, 0.0002372600000000, -0.0009928200000000 ] - [ 0.0002498700000000, -0.0003092800000000, -0.0000913400000000 ] - [ 0.0001429100000000, 0.0003710300000000, -0.0000913400000000 ] - [ 0.0011706200000000, -0.0042923100000000, 0.0034192400000000 ] - [ 0.0002570000000000, -0.0003053500000000, -0.0007499400000000 ] - [ -0.0003301400000000, 0.0001420100000000, 0.0002688000000000 ] - [ -0.0003929400000000, -0.0000699000000000, -0.0007499400000000 ] - [ 0.0044994300000000, -0.0056491700000000, -0.0021371200000000 ] - [ 0.0001571400000000, -0.0002023600000000, -0.0009928200000000 ] - [ 0.0001359300000000, 0.0003752500000000, -0.0007499400000000 ] - [ 0.0026426100000000, 0.0067212000000000, -0.0021371200000000 ] - [ 0.0002880500000000, 0.0002149000000000, 0.0002688000000000 ] - [ 0.0003031900000000, 0.0001639500000000, -0.0000106100000000 ] - [ 0.0001884100000000, 0.0002487400000000, 0.0001670400000000 ] - [ 0.0002349400000000, 0.0000172400000000, 0.0000765400000000 ] - [ -0.0005745300000000, 0.0001057100000000, 0.0000840100000000 ] - [ 0.0000452200000000, -0.0000913000000000, -0.0000262100000000 ] - [ 0.0001185500000000, 0.0001495500000000, 0.0003747900000000 ] - [ 0.0000387200000000, 0.0002674000000000, -0.0001481900000000 ] - [ -0.0005479500000000, 0.0000213900000000, -0.0000048600000000 ] - [ 0.0012119900000000, 0.0000246900000000, -0.0002517500000000 ] - [ -0.0002935800000000, 0.0001806000000000, -0.0000106100000000 ] - [ 0.0002554500000000, -0.0004852400000000, -0.0000048600000000 ] - [ 0.0018024300000000, 0.0015996500000000, -0.0007777700000000 ] - [ 0.0002712600000000, -0.0001947900000000, 0.0001865400000000 ] - [ 0.0001472800000000, 0.0005716100000000, -0.0000052200000000 ] - [ -0.0000085200000000, -0.0011386100000000, 0.0005652400000000 ] - [ -0.0000610600000000, 0.0001754700000000, -0.0005418400000000 ] - [ -0.0001214300000000, -0.0001406200000000, -0.0005418400000000 ] - [ 0.0000374200000000, 0.0001842100000000, -0.0003174900000000 ] - [ 0.0000564600000000, 0.0000848100000000, -0.0000262100000000 ] - [ 0.0015080600000000, -0.0001389300000000, 0.0003778700000000 ] - [ 0.0002947800000000, 0.0003306900000000, -0.0000950500000000 ] - [ 0.0001164300000000, 0.0000647200000000, -0.0000152200000000 ] - [ 0.0001847900000000, 0.0002048900000000, -0.0021200700000000 ] - [ -0.0000021600000000, -0.0001331900000000, -0.0000152200000000 ] - [ -0.0003032700000000, 0.0019069900000000, -0.0012300500000000 ] - [ 0.0000673600000000, -0.0000928500000000, -0.0000427800000000 ] - [ -0.0007244500000000, -0.0003471600000000, -0.0003463500000000 ] - [ 0.0001390000000000, -0.0004206300000000, -0.0000950500000000 ] - [ 0.0001258100000000, 0.0002368200000000, -0.0000033000000000 ] - [ 0.0008139900000000, -0.0004828400000000, 0.0002715200000000 ] - [ -0.0000096100000000, -0.0003445400000000, -0.0000106100000000 ] - [ -0.0003043300000000, -0.0001375200000000, 0.0001865400000000 ] - [ -0.0002680000000000, -0.0000094600000000, -0.0000033000000000 ] - [ -0.0008251400000000, -0.0004635100000000, 0.0002715200000000 ] - [ 0.0000615800000000, 0.0008009700000000, -0.0003463500000000 ] - [ -0.0001715900000000, -0.0004142000000000, 0.0000127200000000 ] - [ -0.0005686700000000, -0.0001582600000000, -0.0000052200000000 ] - [ -0.0002509400000000, -0.0001001700000000, -0.0001481900000000 ] - [ 0.0018031400000000, -0.0006908600000000, -0.0012300500000000 ] - [ -0.0006337100000000, 0.0013754800000000, 0.0003778700000000 ] - [ 0.0001957200000000, -0.0005504100000000, 0.0000840100000000 ] - [ 0.0004445000000000, 0.0000585000000000, 0.0000127200000000 ] - [ -0.0003096200000000, 0.0000388000000000, 0.0001670400000000 ] - [ 0.0002573600000000, -0.0011340200000000, -0.0000077600000000 ] - [ -0.0001025400000000, -0.0002120800000000, 0.0000765400000000 ] - [ -0.0001142600000000, 0.0000684700000000, -0.0000152200000000 ] - [ 0.0002925000000000, 0.0004638400000000, -0.0000048600000000 ] - [ 0.0000547300000000, -0.0000498100000000, 0.0009156800000000 ] - [ 0.0001842900000000, -0.0000480600000000, -0.0001185000000000 ] - [ -0.0000777200000000, -0.0000406900000000, -0.0000072200000000 ] - [ -0.0000505200000000, 0.0001836300000000, -0.0001185000000000 ] - [ 0.0004841200000000, -0.0023607800000000, -0.0007777700000000 ] - [ 0.0000850400000000, -0.0002624800000000, -0.0021200700000000 ] - [ 0.0004213900000000, -0.0004133600000000, -0.0000052200000000 ] - [ -0.0009818100000000, 0.0005766900000000, 0.0005652400000000 ] - [ -0.0006273800000000, 0.0010372600000000, -0.0002517500000000 ] - [ -0.0001324000000000, 0.0001948400000000, 0.0000765400000000 ] - [ 0.0003788200000000, 0.0004447000000000, 0.0000840100000000 ] - [ 0.0001408200000000, -0.0001245100000000, -0.0003174900000000 ] - [ 0.0002612600000000, 0.0000452100000000, 0.0038657300000000 ] - [ 0.0000157700000000, 0.0000723000000000, 0.0009156800000000 ] - [ -0.0001016800000000, 0.0000064900000000, -0.0000262100000000 ] - [ 0.0024139900000000, -0.0008917400000000, 0.0001551900000000 ] - [ 0.0000702400000000, -0.0001774400000000, 0.0003747900000000 ] - [ -0.0001782400000000, -0.0000597000000000, -0.0003174900000000 ] - [ -0.0019792600000000, -0.0016447100000000, 0.0001551900000000 ] - [ -0.0000705000000000, -0.0000224900000000, 0.0009156800000000 ] - [ -0.0002729100000000, 0.0003557000000000, 0.0000127200000000 ] - [ -0.0001697900000000, 0.0002036500000000, 0.0038657300000000 ] - [ 0.0000741000000000, -0.0000469700000000, -0.0000072200000000 ] - [ -0.0001887800000000, 0.0000278900000000, 0.0003747900000000 ] - [ -0.0001512800000000, -0.0000065100000000, -0.0001600800000000 ] - [ -0.0000914700000000, -0.0002488700000000, 0.0038657300000000 ] - [ 0.0008534100000000, 0.0007899000000000, -0.0000077600000000 ] - [ 0.0000330600000000, 0.0003323200000000, 0.0001865400000000 ] - [ 0.0000700000000000, 0.0001342700000000, -0.0001600800000000 ] - [ -0.0008743400000000, -0.0012365500000000, 0.0003778700000000 ] - [ 0.0001824900000000, -0.0000348500000000, -0.0005418400000000 ] - [ -0.0001140900000000, -0.0000119100000000, -0.0000427800000000 ] - [ -0.0014998700000000, -0.0012161300000000, -0.0012300500000000 ] - [ -0.0005846100000000, -0.0010619600000000, -0.0002517500000000 ] - [ 0.0000812800000000, -0.0001277500000000, -0.0001600800000000 ] - [ 0.0000036200000000, 0.0000876600000000, -0.0000072200000000 ] - [ 0.0000467300000000, 0.0001047600000000, -0.0000427800000000 ] - [ -0.0004347300000000, 0.0025364500000000, 0.0001551900000000 ] - [ 0.0002122200000000, -0.0001672300000000, -0.0001481900000000 ] - [ -0.0004337800000000, 0.0000899400000000, -0.0000950500000000 ] - [ 0.0001421900000000, -0.0002273600000000, -0.0000033000000000 ] - [ -0.0001337700000000, -0.0001355700000000, -0.0001185000000000 ] - [ 0.0001212100000000, -0.0002875400000000, 0.0001670400000000 ] - [ 0.0009903300000000, 0.0005619300000000, 0.0005652400000000 ] - [ -0.0002698400000000, 0.0000575900000000, -0.0021200700000000 ] - [ -0.0022865600000000, 0.0007611300000000, -0.0007777700000000 ] - [ 0.0006628700000000, -0.0004538100000000, -0.0003463500000000 ] - [ -0.0011107700000000, 0.0003441300000000, -0.0000077600000000 ] - [ 0.0000111600000000, 0.0009463500000000, 0.0002715200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000093500000000, -0.0000055100000000, -0.0002412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000904800000000 ] - [ 0.0000522500000000, 0.0000716700000000, 0.0001710100000000 ] - [ -0.0000896800000000, -0.0000882100000000, 0.0005553400000000 ] - [ -0.0001511500000000, -0.0001015200000000, 0.0000787500000000 ] - [ 0.0001212300000000, -0.0000335600000000, 0.0005553400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0192899700000000 ] - [ 0.0000644300000000, -0.0000619300000000, 0.0005904500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000228200000000 ] - [ 0.0000359400000000, -0.0000810800000000, 0.0001710100000000 ] - [ 0.0001563500000000, 0.0001400400000000, -0.0003795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000318100000000 ] - [ -0.0000858500000000, -0.0000248300000000, 0.0005904500000000 ] - [ -0.0000881900000000, 0.0000094200000000, 0.0001710100000000 ] - [ -0.0000315500000000, 0.0001217700000000, 0.0005553400000000 ] - [ 0.0000001000000000, 0.0000108600000000, -0.0002412000000000 ] - [ -0.0000094500000000, -0.0000053400000000, -0.0002412000000000 ] - [ -0.0000123500000000, 0.0001816700000000, 0.0000787500000000 ] - [ 0.0000214200000000, 0.0000867600000000, 0.0005904500000000 ] - [ 0.0001635000000000, -0.0000801400000000, 0.0000787500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049893400000000 ] - [ 0.0000431000000000, -0.0002054200000000, -0.0003795000000000 ] - [ -0.0001994500000000, 0.0000653800000000, -0.0003795000000000 ] - [ 0.0000043300000000, -0.0006470400000000, -0.0001605800000000 ] - [ -0.0002014800000000, 0.0001362300000000, -0.0001063400000000 ] - [ 0.0006264200000000, -0.0006062700000000, -0.0001401600000000 ] - [ 0.0005581800000000, 0.0003272700000000, -0.0001605800000000 ] - [ -0.0002443100000000, 0.0006146100000000, 0.0000604600000000 ] - [ -0.0000869300000000, -0.0008439300000000, 0.0000441900000000 ] - [ -0.0008382600000000, -0.0002393600000000, -0.0001401600000000 ] - [ 0.0005955100000000, -0.0000809100000000, 0.0007113900000000 ] - [ -0.0003678300000000, -0.0004752700000000, 0.0007113900000000 ] - [ -0.0005625100000000, 0.0003197700000000, -0.0001605800000000 ] - [ 0.0002118300000000, 0.0008456300000000, -0.0001401600000000 ] - [ 0.0042953300000000, -0.0052212900000000, 0.0002219500000000 ] - [ -0.0002276800000000, 0.0005561800000000, 0.0007113900000000 ] - [ -0.0006874000000000, 0.0004972500000000, 0.0000441900000000 ] - [ -0.0004101100000000, -0.0005188800000000, 0.0000604600000000 ] - [ 0.0023741000000000, 0.0063305100000000, 0.0002219500000000 ] - [ -0.0066694300000000, -0.0011092200000000, 0.0002219500000000 ] - [ 0.0022944500000000, -0.0033314500000000, -0.0031616400000000 ] - [ 0.0006544200000000, -0.0000957300000000, 0.0000604600000000 ] - [ 0.0007743300000000, 0.0003466800000000, 0.0000441900000000 ] - [ 0.0002187200000000, 0.0001063700000000, -0.0001063400000000 ] - [ -0.0040323400000000, -0.0003213300000000, -0.0031616400000000 ] - [ -0.0000172400000000, -0.0002426100000000, -0.0001063400000000 ] - [ 0.0017379000000000, 0.0036527700000000, -0.0031616400000000 ] - [ 0.0005378100000000, -0.0010032900000000, -0.0001420300000000 ] - [ 0.0008982000000000, 0.0002791500000000, 0.0002394400000000 ] - [ 0.0040664100000000, -0.0004662400000000, -0.0046894600000000 ] - [ 0.0082801800000000, -0.0001754500000000, 0.0027644500000000 ] - [ 0.0003632600000000, -0.0001692600000000, 0.0002593000000000 ] - [ -0.0001936600000000, -0.0004757600000000, 0.0000843200000000 ] - [ -0.0006908500000000, 0.0006382800000000, 0.0002394400000000 ] - [ -0.0024369800000000, -0.0032885000000000, -0.0046894600000000 ] - [ 0.0001080100000000, 0.0010998700000000, -0.0010461600000000 ] - [ -0.0000350500000000, 0.0003992200000000, 0.0002593000000000 ] - [ -0.0003282100000000, -0.0002299600000000, 0.0002593000000000 ] - [ -0.0002073400000000, -0.0009174400000000, 0.0002394400000000 ] - [ -0.0011377800000000, 0.0000358900000000, -0.0001420300000000 ] - [ -0.0010065200000000, -0.0004564000000000, -0.0010461600000000 ] - [ 0.0008985100000000, -0.0006434700000000, -0.0010461600000000 ] - [ -0.0016294300000000, 0.0037547400000000, -0.0046894600000000 ] - [ -0.0000036800000000, -0.0003466200000000, -0.0005203700000000 ] - [ -0.0003151900000000, 0.0004056000000000, 0.0000843200000000 ] - [ -0.0002983400000000, 0.0001765000000000, -0.0005203700000000 ] - [ -0.0039881500000000, 0.0072585700000000, 0.0027644500000000 ] - [ 0.0005999700000000, 0.0009674000000000, -0.0001420300000000 ] - [ 0.0003020200000000, 0.0001701200000000, -0.0005203700000000 ] - [ -0.0042920300000000, -0.0070831200000000, 0.0027644500000000 ] - [ 0.0005088500000000, 0.0000701600000000, 0.0000843200000000 ] - [ 0.0003123700000000, 0.0001321400000000, 0.0001875700000000 ] - [ 0.0005295100000000, 0.0001132100000000, 0.0000933600000000 ] - [ 0.0006263200000000, 0.0002379800000000, 0.0001889200000000 ] - [ -0.0002135000000000, 0.0003524000000000, -0.0000039900000000 ] - [ 0.0001215700000000, -0.0000653400000000, -0.0000161500000000 ] - [ 0.0000648200000000, 0.0001341700000000, -0.0004959000000000 ] - [ 0.0000233300000000, 0.0002209200000000, -0.0001861800000000 ] - [ -0.0005742500000000, -0.0000576200000000, 0.0000114500000000 ] - [ -0.0019136700000000, 0.0002249100000000, 0.0002016100000000 ] - [ -0.0002706200000000, 0.0002044500000000, 0.0001875700000000 ] - [ 0.0003370300000000, -0.0004685000000000, 0.0000114500000000 ] - [ -0.0032169000000000, -0.0007201900000000, 0.0001221700000000 ] - [ 0.0002934500000000, -0.0001907900000000, -0.0000093400000000 ] - [ -0.0001437300000000, 0.0003404000000000, 0.0000860800000000 ] - [ 0.0011216900000000, 0.0010760400000000, -0.0006649500000000 ] - [ -0.0000937200000000, 0.0001249400000000, 0.0004217200000000 ] - [ -0.0000613400000000, -0.0001436300000000, 0.0004217200000000 ] - [ 0.0000516000000000, 0.0001862200000000, -0.0001123500000000 ] - [ -0.0000042000000000, 0.0001379500000000, -0.0000161500000000 ] - [ -0.0012780400000000, -0.0003572400000000, -0.0002877700000000 ] - [ 0.0002421500000000, -0.0001525200000000, -0.0000414700000000 ] - [ 0.0001020500000000, 0.0000013000000000, -0.0000268600000000 ] - [ -0.0000203600000000, -0.0001785600000000, 0.0037351400000000 ] - [ -0.0000499000000000, -0.0000890300000000, -0.0000268600000000 ] - [ -0.0000885700000000, -0.0016207900000000, 0.0008947000000000 ] - [ 0.0003562900000000, -0.0002829300000000, -0.0000932200000000 ] - [ -0.0007492900000000, -0.0004114500000000, -0.0003667800000000 ] - [ -0.0002531600000000, -0.0001334500000000, -0.0000414700000000 ] - [ -0.0002576200000000, 0.0004938900000000, -0.0000449900000000 ] - [ -0.0006042500000000, 0.0013574000000000, -0.0000088600000000 ] - [ -0.0000417500000000, -0.0003365900000000, 0.0001875700000000 ] - [ -0.0003119500000000, -0.0001587400000000, -0.0000093400000000 ] - [ -0.0002989100000000, -0.0004700500000000, -0.0000449900000000 ] - [ 0.0014776700000000, -0.0001554100000000, -0.0000088600000000 ] - [ 0.0000183200000000, 0.0008546300000000, -0.0003667800000000 ] - [ -0.0001433600000000, -0.0000309400000000, 0.0000728700000000 ] - [ -0.0002229300000000, -0.0002946700000000, 0.0000860800000000 ] - [ -0.0002029900000000, -0.0000902600000000, -0.0001861800000000 ] - [ -0.0013593600000000, 0.0008871000000000, 0.0008947000000000 ] - [ 0.0009484000000000, -0.0009282000000000, -0.0002877700000000 ] - [ -0.0001984400000000, -0.0003611000000000, -0.0000039900000000 ] - [ 0.0000984800000000, -0.0001086800000000, 0.0000728700000000 ] - [ -0.0003628000000000, 0.0004019600000000, 0.0000933600000000 ] - [ -0.0009744300000000, 0.0007707000000000, 0.0002703200000000 ] - [ -0.0001070700000000, -0.0006614000000000, 0.0001889200000000 ] - [ -0.0000521500000000, 0.0000877300000000, -0.0000268600000000 ] - [ 0.0002372200000000, 0.0005261300000000, 0.0000114500000000 ] - [ 0.0000496200000000, -0.0000734700000000, 0.0007033100000000 ] - [ 0.0001386700000000, -0.0000134100000000, -0.0001553200000000 ] - [ 0.0000086300000000, -0.0000764000000000, 0.0000228400000000 ] - [ -0.0000577200000000, 0.0001268000000000, -0.0001553200000000 ] - [ 0.0009847400000000, 0.0031460100000000, 0.0001221700000000 ] - [ -0.0001444500000000, 0.0001069200000000, 0.0037351400000000 ] - [ 0.0003666600000000, -0.0000457300000000, 0.0000860800000000 ] - [ 0.0003710300000000, -0.0015094300000000, -0.0006649500000000 ] - [ 0.0007620600000000, -0.0017697500000000, 0.0002016100000000 ] - [ -0.0005192600000000, 0.0004234200000000, 0.0001889200000000 ] - [ 0.0004119400000000, 0.0000087000000000, -0.0000039900000000 ] - [ 0.0001354700000000, -0.0001378000000000, -0.0001123500000000 ] - [ 0.0001104400000000, 0.0000521000000000, -0.0042902800000000 ] - [ 0.0000388200000000, 0.0000797100000000, 0.0007033100000000 ] - [ -0.0001173700000000, -0.0000726200000000, -0.0000161500000000 ] - [ -0.0023377500000000, 0.0010078900000000, -0.0001220100000000 ] - [ 0.0000837800000000, -0.0001232200000000, -0.0004959000000000 ] - [ -0.0001870700000000, -0.0000484200000000, -0.0001123500000000 ] - [ 0.0020417300000000, 0.0015206000000000, -0.0001220100000000 ] - [ -0.0000884400000000, -0.0000062400000000, 0.0007033100000000 ] - [ 0.0000448800000000, 0.0001396200000000, 0.0000728700000000 ] - [ -0.0001003400000000, 0.0000695900000000, -0.0042902800000000 ] - [ 0.0000618400000000, 0.0000456700000000, 0.0000228400000000 ] - [ -0.0001486000000000, -0.0000109500000000, -0.0004959000000000 ] - [ -0.0001720900000000, 0.0000674000000000, -0.0001129700000000 ] - [ -0.0000101000000000, -0.0001216900000000, -0.0042902800000000 ] - [ -0.0001802300000000, -0.0012292300000000, 0.0002703200000000 ] - [ 0.0000185100000000, 0.0003495300000000, -0.0000093400000000 ] - [ 0.0001444200000000, 0.0001153300000000, -0.0001129700000000 ] - [ 0.0003296400000000, 0.0012854300000000, -0.0002877700000000 ] - [ 0.0001550600000000, 0.0000186900000000, 0.0004217200000000 ] - [ -0.0004231700000000, -0.0001670900000000, -0.0000932200000000 ] - [ 0.0014479300000000, 0.0007336900000000, 0.0008947000000000 ] - [ 0.0011516200000000, 0.0015448300000000, 0.0002016100000000 ] - [ 0.0000276700000000, -0.0001827300000000, -0.0001129700000000 ] - [ -0.0000704800000000, 0.0000307200000000, 0.0000228400000000 ] - [ 0.0000668800000000, 0.0004500200000000, -0.0000932200000000 ] - [ 0.0002960200000000, -0.0025284900000000, -0.0001220100000000 ] - [ 0.0001796600000000, -0.0001306600000000, -0.0001861800000000 ] - [ 0.0000110100000000, 0.0002859700000000, -0.0000414700000000 ] - [ 0.0005565300000000, -0.0000238400000000, -0.0000449900000000 ] - [ -0.0000809600000000, -0.0001133900000000, -0.0001553200000000 ] - [ -0.0001667100000000, -0.0005151700000000, 0.0000933600000000 ] - [ -0.0014927200000000, 0.0004333900000000, -0.0006649500000000 ] - [ 0.0001648200000000, 0.0000716400000000, 0.0037351400000000 ] - [ 0.0022321500000000, -0.0024258200000000, 0.0001221700000000 ] - [ 0.0007309700000000, -0.0004431800000000, -0.0003667800000000 ] - [ 0.0011546600000000, 0.0004585300000000, 0.0002703200000000 ] - [ -0.0008734200000000, -0.0012019900000000, -0.0000088600000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0004618600000000, 0.0000700100000000, 0.0001589900000000 ] - [ 0.0002059600000000, -0.0000525400000000, 0.0000598500000000 ] - [ 0.0005511200000000, -0.0004041900000000, 0.0001429200000000 ] - [ -0.0000266100000000, 0.0002209800000000, 0.0002378500000000 ] - [ 0.0007262300000000, 0.0005480000000000, -0.0000696200000000 ] - [ 0.0006773200000000, -0.0000093300000000, 0.0002167200000000 ] - [ 0.0002088000000000, 0.0000554400000000, 0.0000569600000000 ] - [ -0.0004952900000000, -0.0000178700000000, 0.0000807400000000 ] - [ -0.0022520400000000, -0.0000008300000000, 0.0000581500000000 ] - [ 0.0004312300000000, 0.0004235200000000, 0.0002771500000000 ] - [ 0.0001999200000000, -0.0002011600000000, 0.0000119600000000 ] - [ -0.0200090700000000, 0.0000192400000000, 0.0000639700000000 ] - [ 0.0002015400000000, -0.0000014600000000, 0.0000595400000000 ] - [ 0.0008718400000000, -0.0005448800000000, 0.0000917000000000 ] - [ -0.0005238700000000, -0.0000568900000000, 0.0002687200000000 ] - [ 0.0000088800000000, -0.0002266000000000, 0.0002334400000000 ] - [ 0.0004424500000000, 0.0005074400000000, 0.0000191300000000 ] - [ 0.0004530400000000, -0.0004398500000000, 0.0001572700000000 ] - [ -0.0005170000000000, 0.0001893600000000, -0.0000163900000000 ] - [ 0.0006382200000000, 0.0010029000000000, 0.0001636600000000 ] - [ 0.0008889400000000, -0.0009583600000000, 0.0001376400000000 ] - [ 0.0001996500000000, -0.0000007500000000, 0.0000315000000000 ] - [ 0.0005533500000000, -0.0001750100000000, 0.0000209200000000 ] - [ -0.0001228100000000, 0.0003692800000000, 0.0000188700000000 ] - [ 0.0065806700000000, -0.0001249600000000, 0.0066775200000000 ] - [ -0.0030020300000000, 0.0041151900000000, -0.0010631300000000 ] - [ 0.0016684500000000, -0.0002086400000000, -0.0000182300000000 ] - [ -0.0015119900000000, -0.0047191200000000, -0.0044699700000000 ] - [ 0.0016214300000000, -0.0001452100000000, 0.0003391600000000 ] - [ 0.0001935500000000, -0.0004184300000000, -0.0000750200000000 ] - [ -0.0008543800000000, 0.0001594900000000, -0.0000859800000000 ] - [ 0.0001484400000000, -0.0013303800000000, 0.0004780000000000 ] - [ 0.0021795700000000, -0.0002491300000000, 0.0002776900000000 ] - [ -0.0029820100000000, 0.0057763100000000, -0.0029963700000000 ] - [ 0.0005987100000000, 0.0002991000000000, -0.0000554500000000 ] - [ -0.0002019300000000, 0.0004926300000000, -0.0000741800000000 ] - [ 0.0002528300000000, 0.0010285200000000, 0.0004467700000000 ] - [ -0.0008100300000000, 0.0000240800000000, -0.0000889500000000 ] - [ -0.0000097300000000, -0.0011638700000000, 0.0004707500000000 ] - [ 0.0011936800000000, 0.0002689400000000, 0.0000710800000000 ] - [ 0.0005251100000000, -0.0002164300000000, -0.0000634000000000 ] - [ 0.0003149700000000, -0.0006651100000000, -0.0002397100000000 ] - [ -0.0000109400000000, 0.0007664300000000, 0.0003925000000000 ] - [ 0.0017361200000000, -0.0002554700000000, 0.0000028800000000 ] - [ -0.0032080000000000, -0.0031569000000000, -0.0021401000000000 ] - [ 0.0004288400000000, 0.0011756400000000, -0.0002790800000000 ] - [ 0.0029670000000000, -0.0003193700000000, 0.0031576000000000 ] - [ 0.0003367500000000, -0.0008129400000000, -0.0002290600000000 ] - [ 0.0002645400000000, 0.0006938600000000, -0.0006443200000000 ] - [ -0.0023222700000000, 0.0023394800000000, 0.0007689500000000 ] - [ 0.0003847800000000, 0.0008952800000000, -0.0006540300000000 ] - [ 0.0010122900000000, -0.0011271600000000, 0.0003426000000000 ] - [ 0.0003727800000000, -0.0008913800000000, 0.0002418800000000 ] - [ 0.0003361800000000, -0.0010328900000000, 0.0001921300000000 ] - [ 0.0026438000000000, -0.0000316700000000, -0.0022527200000000 ] - [ 0.0003290500000000, -0.0005730000000000, -0.0005849200000000 ] - [ -0.0000609400000000, -0.0005215000000000, -0.0005687500000000 ] - [ 0.0006231700000000, 0.0009104300000000, 0.0001922000000000 ] - [ 0.0008875200000000, -0.0006897200000000, 0.0001019800000000 ] - [ -0.0026654600000000, -0.0055763300000000, 0.0024843300000000 ] - [ -0.0003030600000000, -0.0009420500000000, -0.0008677000000000 ] - [ -0.0003722900000000, 0.0008569800000000, -0.0006804700000000 ] - [ 0.0025320500000000, 0.0000121100000000, -0.0004574400000000 ] - [ 0.0009523600000000, -0.0006709000000000, -0.0006692500000000 ] - [ 0.0095351300000000, 0.0003256300000000, -0.0088234400000000 ] - [ 0.0006649700000000, 0.0006741700000000, 0.0001929400000000 ] - [ -0.0040208300000000, 0.0062756100000000, 0.0032474500000000 ] - [ 0.0000621800000000, 0.0013744700000000, 0.0003550000000000 ] - [ 0.0025451400000000, 0.0005185500000000, -0.0001952200000000 ] - [ -0.0016738800000000, -0.0076979600000000, 0.0037275700000000 ] - [ 0.0002346000000000, 0.0004023200000000, 0.0003107600000000 ] - [ 0.0001934200000000, 0.0005870500000000, 0.0001499100000000 ] - [ -0.0001442800000000, -0.0000084800000000, 0.0000495400000000 ] - [ 0.0007013100000000, 0.0011232800000000, 0.0005772100000000 ] - [ 0.0005919800000000, -0.0012696800000000, 0.0003489100000000 ] - [ -0.0002576600000000, 0.0008446200000000, 0.0001438400000000 ] - [ -0.0001708100000000, 0.0003477400000000, 0.0000612600000000 ] - [ 0.0000072400000000, -0.0003684700000000, -0.0000308900000000 ] - [ -0.0005020300000000, -0.0027069800000000, -0.0021192100000000 ] - [ 0.0039209500000000, 0.0000770600000000, -0.0008832700000000 ] - [ -0.0005816200000000, -0.0003039900000000, -0.0001579400000000 ] - [ -0.0004987600000000, 0.0004927900000000, 0.0000990500000000 ] - [ 0.0014199000000000, -0.0027191300000000, 0.0027793600000000 ] - [ -0.0009257500000000, 0.0007736400000000, -0.0004565300000000 ] - [ 0.0001081700000000, -0.0004077100000000, 0.0001016600000000 ] - [ -0.0001731600000000, 0.0009222700000000, 0.0001364600000000 ] - [ 0.0005803100000000, 0.0000346100000000, 0.0000344400000000 ] - [ -0.0008277100000000, 0.0001527100000000, -0.0001231700000000 ] - [ -0.0001038000000000, 0.0003165200000000, -0.0000867700000000 ] - [ -0.0004800700000000, 0.0000700000000000, 0.0000565000000000 ] - [ -0.0001372300000000, -0.0001961500000000, 0.0000548100000000 ] - [ -0.0001971000000000, 0.0001113700000000, 0.0000405200000000 ] - [ -0.0004755000000000, -0.0002579900000000, -0.0000949200000000 ] - [ 0.0001385500000000, 0.0000721400000000, -0.0000443900000000 ] - [ -0.0003872200000000, 0.0001792100000000, 0.0007862700000000 ] - [ -0.0003488100000000, 0.0001539500000000, 0.0000029400000000 ] - [ -0.0011202400000000, 0.0000888500000000, -0.0003044600000000 ] - [ -0.0001763000000000, -0.0006398100000000, -0.0000068200000000 ] - [ 0.0035764700000000, -0.0002920800000000, 0.0004337400000000 ] - [ 0.0000991800000000, -0.0007356600000000, -0.0000329800000000 ] - [ -0.0000999500000000, 0.0020895100000000, -0.0006021600000000 ] - [ 0.0003614500000000, -0.0001843900000000, 0.0001950700000000 ] - [ 0.0000585300000000, -0.0004731000000000, 0.0000983000000000 ] - [ -0.0002968000000000, 0.0001111100000000, 0.0000864300000000 ] - [ 0.0001956700000000, -0.0014721700000000, -0.0004967000000000 ] - [ 0.0000588200000000, 0.0000846700000000, 0.0001203200000000 ] - [ 0.0022755900000000, 0.0029477200000000, -0.0019687900000000 ] - [ -0.0001496700000000, 0.0014562300000000, -0.0001953000000000 ] - [ -0.0000861700000000, -0.0008112100000000, -0.0000191700000000 ] - [ -0.0014173100000000, 0.0026072300000000, 0.0025032300000000 ] - [ 0.0000376900000000, -0.0003966200000000, -0.0000925700000000 ] - [ 0.0002871400000000, -0.0003312500000000, 0.0000288000000000 ] - [ -0.0002500600000000, -0.0008150900000000, 0.0000590800000000 ] - [ 0.0008013200000000, -0.0007414700000000, 0.0000592800000000 ] - [ -0.0003466200000000, -0.0011356100000000, 0.0003052500000000 ] - [ -0.0012300800000000, 0.0002239600000000, 0.0001930800000000 ] - [ 0.0003877300000000, 0.0006751500000000, 0.0002014700000000 ] - [ -0.0003954100000000, -0.0000796100000000, -0.0000232500000000 ] - [ 0.0010634300000000, 0.0023194200000000, -0.0018559000000000 ] - [ 0.0022149000000000, -0.0019241700000000, 0.0006459800000000 ] - [ 0.0003105100000000, -0.0000232600000000, -0.0001059100000000 ] - [ -0.0004098900000000, 0.0012002800000000, 0.0011358500000000 ] - [ -0.0004537600000000, -0.0000880100000000, -0.0000531700000000 ] - [ -0.0000838600000000, 0.0002834400000000, -0.0001554000000000 ] - [ -0.0002479500000000, -0.0003736400000000, 0.0008293400000000 ] - [ -0.0004409500000000, -0.0006716900000000, -0.0000245800000000 ] - [ -0.0005947400000000, -0.0003249400000000, 0.0000007300000000 ] - [ -0.0007540400000000, 0.0001174900000000, 0.0001039800000000 ] - [ -0.0021917500000000, 0.0004419300000000, -0.0001826400000000 ] - [ -0.0005332700000000, 0.0007131000000000, -0.0001109800000000 ] - [ 0.0014354100000000, -0.0008632400000000, -0.0000475400000000 ] - [ 0.0001995400000000, -0.0001827600000000, -0.0002135600000000 ] - [ -0.0026221100000000, -0.0006542400000000, 0.0012091700000000 ] - [ -0.0009339400000000, -0.0000280400000000, -0.0001818600000000 ] - [ -0.0003177700000000, 0.0003942200000000, -0.0000452200000000 ] - [ -0.0000264600000000, 0.0005329100000000, 0.0000737100000000 ] - [ 0.0007200200000000, 0.0010856500000000, -0.0006758200000000 ] - [ -0.0004128900000000, -0.0003504500000000, 0.0000911100000000 ] - [ 0.0007331600000000, 0.0027961900000000, 0.0005538800000000 ] - [ -0.0019195000000000, 0.0002921700000000, 0.0003023000000000 ] - [ -0.0006354000000000, -0.0000370400000000, -0.0002537900000000 ] - [ 0.0031495900000000, 0.0005468000000000, 0.0004389500000000 ] - [ -0.0012997800000000, 0.0000857900000000, -0.0002164800000000 ] - [ -0.0011116500000000, 0.0000681800000000, 0.0000586600000000 ] - [ -0.0002176900000000, 0.0000337400000000, -0.0001965500000000 ] - [ 0.0004995000000000, 0.0003850200000000, 0.0000326200000000 ] - [ -0.0004911100000000, 0.0005225100000000, 0.0000595200000000 ] - [ -0.0000883200000000, -0.0002698200000000, -0.0002290800000000 ] - [ -0.0011685400000000, -0.0004485300000000, 0.0000928500000000 ] - [ 0.0001844000000000, -0.0004244500000000, 0.0000358400000000 ] - [ -0.0000407700000000, 0.0005289600000000, -0.0000924400000000 ] - [ -0.0002204200000000, 0.0001280600000000, -0.0001033700000000 ] - [ 0.0005570300000000, 0.0007769800000000, 0.0000084700000000 ] - [ -0.0001496400000000, 0.0003094200000000, -0.0002357600000000 ] - [ 0.0007037000000000, -0.0020214500000000, -0.0015375700000000 ] - [ -0.0009508800000000, 0.0009186200000000, -0.0000836900000000 ] - [ 0.0000660500000000, -0.0000558800000000, -0.0000186700000000 ] - [ 0.0042165800000000, 0.0002836700000000, -0.0008944900000000 ] - [ -0.0004320700000000, 0.0005759900000000, -0.0000561600000000 ] - [ -0.0019853700000000, -0.0003292400000000, 0.0010523400000000 ] - [ -0.0004609800000000, 0.0002331700000000, -0.0002474200000000 ] - [ -0.0018336800000000, -0.0002885500000000, -0.0005133600000000 ] - [ -0.0006092200000000, 0.0002624000000000, -0.0000044800000000 ] - [ 0.0000268900000000, 0.0002054200000000, 0.0007964200000000 ] - [ -0.0002102900000000, -0.0012119600000000, -0.0004400800000000 ] - [ 0.0022680500000000, -0.0011055400000000, 0.0004134300000000 ] - [ -0.0001736300000000, -0.0000049400000000, 0.0001409400000000 ] - [ -0.0013145000000000, -0.0007175700000000, 0.0000558700000000 ]- atom: 12 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0004077400000000, -0.0000398900000000, 0.0000665300000000 ] - [ -0.0002069900000000, 0.0000529400000000, 0.0000616600000000 ] - [ -0.0004340700000000, 0.0005592600000000, 0.0003168500000000 ] - [ -0.0000903000000000, -0.0003752300000000, 0.0002204200000000 ] - [ -0.0010210800000000, -0.0007423600000000, 0.0001030400000000 ] - [ -0.0004855900000000, -0.0000137800000000, 0.0002421400000000 ] - [ -0.0002082300000000, -0.0000553100000000, 0.0000534800000000 ] - [ 0.0005512100000000, -0.0000164600000000, 0.0001451400000000 ] - [ 0.0022521700000000, -0.0000001000000000, 0.0000532200000000 ] - [ -0.0003567400000000, -0.0005979600000000, 0.0001825500000000 ] - [ 0.0000976600000000, 0.0004002400000000, 0.0000219200000000 ] - [ 0.0202807900000000, 0.0000196000000000, 0.0000592300000000 ] - [ -0.0002012400000000, 0.0000027100000000, 0.0000618900000000 ] - [ -0.0009239300000000, 0.0005119300000000, 0.0001334800000000 ] - [ 0.0003319200000000, 0.0000815500000000, 0.0001901800000000 ] - [ -0.0000838200000000, 0.0004024800000000, 0.0002263100000000 ] - [ -0.0004433500000000, -0.0005696300000000, 0.0002056400000000 ] - [ -0.0004001800000000, 0.0004681400000000, 0.0000671700000000 ] - [ 0.0004941600000000, 0.0001715300000000, 0.0000509300000000 ] - [ -0.0006384900000000, -0.0009458700000000, 0.0000612900000000 ] - [ -0.0005694300000000, 0.0008007900000000, -0.0001030000000000 ] - [ -0.0002011400000000, -0.0000008900000000, 0.0000266400000000 ] - [ -0.0005298100000000, -0.0001834000000000, 0.0000131600000000 ] - [ -0.0001990700000000, -0.0002080600000000, 0.0000167500000000 ] - [ -0.0068010000000000, -0.0011589300000000, -0.0072591900000000 ] - [ 0.0027498000000000, -0.0037716900000000, 0.0010139200000000 ] - [ -0.0003750700000000, -0.0009023500000000, -0.0000904600000000 ] - [ 0.0026597100000000, 0.0052250600000000, 0.0039646400000000 ] - [ -0.0016398300000000, 0.0001854400000000, 0.0004627300000000 ] - [ -0.0005207100000000, -0.0012438300000000, -0.0000336800000000 ] - [ -0.0007558700000000, -0.0007139400000000, -0.0000173300000000 ] - [ -0.0001299200000000, 0.0012918500000000, 0.0003245600000000 ] - [ -0.0022314700000000, 0.0002562100000000, 0.0005261500000000 ] - [ 0.0019123800000000, -0.0050054600000000, 0.0025046400000000 ] - [ -0.0002729500000000, 0.0013669500000000, -0.0000521200000000 ] - [ -0.0002236100000000, -0.0005666200000000, 0.0000315600000000 ] - [ -0.0002405200000000, -0.0009881400000000, 0.0003516200000000 ] - [ -0.0004839700000000, 0.0010906500000000, -0.0000201700000000 ] - [ -0.0000035300000000, 0.0011218300000000, 0.0003282400000000 ] - [ -0.0009238000000000, -0.0006171200000000, -0.0001187600000000 ] - [ -0.0003604000000000, 0.0006302500000000, 0.0000251500000000 ] - [ -0.0014944100000000, 0.0001403400000000, -0.0002585700000000 ] - [ 0.0000612400000000, -0.0007721200000000, 0.0004115300000000 ] - [ -0.0001267300000000, 0.0008125800000000, -0.0001063400000000 ] - [ 0.0036646600000000, 0.0032359400000000, 0.0021044500000000 ] - [ -0.0002805900000000, 0.0001047500000000, -0.0002212700000000 ] - [ -0.0031226100000000, -0.0001003200000000, -0.0031590800000000 ] - [ 0.0007102500000000, 0.0000433000000000, -0.0002686200000000 ] - [ -0.0000010000000000, -0.0017305600000000, -0.0004908900000000 ] - [ 0.0040139700000000, -0.0019712600000000, -0.0000862600000000 ] - [ -0.0005894600000000, -0.0002673900000000, -0.0006209900000000 ] - [ 0.0001437300000000, -0.0001158700000000, 0.0003273700000000 ] - [ 0.0002996700000000, 0.0003517000000000, 0.0001204400000000 ] - [ -0.0004780300000000, 0.0002050700000000, 0.0001595100000000 ] - [ -0.0038021500000000, 0.0012878000000000, 0.0029016200000000 ] - [ 0.0003811900000000, 0.0004431900000000, -0.0006822100000000 ] - [ -0.0002020700000000, 0.0015560400000000, -0.0005676800000000 ] - [ -0.0004829200000000, -0.0000793600000000, 0.0001604200000000 ] - [ -0.0016598400000000, 0.0003854300000000, 0.0002486700000000 ] - [ 0.0021692500000000, 0.0039622200000000, -0.0018159000000000 ] - [ -0.0007528500000000, 0.0012290000000000, -0.0002708700000000 ] - [ -0.0003720800000000, -0.0016229900000000, -0.0004561200000000 ] - [ -0.0014764100000000, -0.0002955300000000, -0.0006801400000000 ] - [ -0.0013759700000000, 0.0001103800000000, -0.0006022600000000 ] - [ -0.0094552100000000, -0.0009754900000000, 0.0076598600000000 ] - [ -0.0013386200000000, -0.0001304700000000, 0.0001690100000000 ] - [ 0.0032585600000000, -0.0061330100000000, -0.0045182000000000 ] - [ 0.0004428400000000, 0.0002397300000000, 0.0003163100000000 ] - [ -0.0018027700000000, 0.0002463700000000, -0.0009425500000000 ] - [ 0.0020711000000000, 0.0082310900000000, -0.0049863200000000 ] - [ -0.0018918800000000, -0.0007720100000000, 0.0003637200000000 ] - [ 0.0005771800000000, -0.0002798600000000, 0.0002007100000000 ] - [ 0.0007565300000000, 0.0003101800000000, 0.0001238300000000 ] - [ 0.0000243500000000, -0.0007712100000000, -0.0003214800000000 ] - [ 0.0002675300000000, 0.0015359000000000, -0.0000938200000000 ] - [ -0.0005285900000000, -0.0003978300000000, -0.0000736600000000 ] - [ 0.0003299300000000, -0.0005018900000000, -0.0001047800000000 ] - [ 0.0001815000000000, 0.0006508800000000, -0.0000849100000000 ] - [ 0.0005864900000000, 0.0031791600000000, 0.0017761100000000 ] - [ -0.0050165600000000, -0.0001114600000000, 0.0008948900000000 ] - [ -0.0001328800000000, 0.0005585300000000, 0.0001148800000000 ] - [ -0.0000699500000000, -0.0001144100000000, 0.0000707900000000 ] - [ -0.0008427800000000, 0.0017435900000000, -0.0027511600000000 ] - [ -0.0004675100000000, 0.0001239900000000, -0.0002522000000000 ] - [ 0.0004615000000000, 0.0000286500000000, 0.0000688700000000 ] - [ 0.0001509600000000, -0.0000161200000000, -0.0000671800000000 ] - [ 0.0005160100000000, 0.0000125300000000, -0.0000289300000000 ] - [ 0.0006723500000000, 0.0001507300000000, 0.0000047300000000 ] - [ -0.0000835700000000, -0.0005975800000000, -0.0000300900000000 ] - [ 0.0005703600000000, 0.0003046500000000, -0.0004946100000000 ] - [ 0.0001920100000000, 0.0004051100000000, -0.0000966900000000 ] - [ 0.0004195500000000, -0.0006130100000000, 0.0000585600000000 ] - [ 0.0010163300000000, 0.0004408700000000, -0.0000340400000000 ] - [ 0.0000760600000000, -0.0000186600000000, 0.0000001600000000 ] - [ 0.0005380400000000, -0.0001564400000000, 0.0008262600000000 ] - [ 0.0002945700000000, -0.0003676900000000, -0.0000446700000000 ] - [ 0.0007387100000000, 0.0002074500000000, -0.0000255000000000 ] - [ 0.0006111800000000, 0.0002564400000000, -0.0001191900000000 ] - [ -0.0050500900000000, -0.0004665400000000, -0.0011453300000000 ] - [ -0.0002129500000000, 0.0001735400000000, -0.0000997400000000 ] - [ -0.0000116600000000, -0.0013708800000000, 0.0005695900000000 ] - [ -0.0001549400000000, 0.0010628200000000, 0.0000634000000000 ] - [ -0.0001015000000000, -0.0002088500000000, 0.0000710200000000 ] - [ -0.0003142700000000, -0.0004145800000000, 0.0000869500000000 ] - [ -0.0007573300000000, 0.0009863300000000, 0.0004587300000000 ] - [ 0.0006028100000000, -0.0006974000000000, 0.0001336700000000 ] - [ -0.0022643500000000, -0.0012708500000000, 0.0012042200000000 ] - [ -0.0001677800000000, -0.0019102200000000, 0.0002934200000000 ] - [ -0.0007039000000000, 0.0003563600000000, 0.0000930100000000 ] - [ 0.0009531600000000, -0.0028165700000000, -0.0028562600000000 ] - [ 0.0004160400000000, 0.0005882500000000, -0.0002436900000000 ] - [ 0.0000275800000000, 0.0007860600000000, 0.0000665100000000 ] - [ 0.0002732800000000, -0.0000920100000000, 0.0000096900000000 ] - [ -0.0002580500000000, 0.0006867300000000, 0.0000381600000000 ] - [ -0.0003152800000000, 0.0015684600000000, -0.0000568100000000 ] - [ 0.0005096600000000, -0.0005770600000000, 0.0000610600000000 ] - [ -0.0005985400000000, -0.0015510900000000, 0.0000550800000000 ] - [ 0.0002380400000000, 0.0002304700000000, -0.0000185800000000 ] - [ -0.0004953400000000, -0.0013397600000000, 0.0018781900000000 ] - [ -0.0020925600000000, 0.0018138600000000, 0.0009720300000000 ] - [ 0.0000350400000000, -0.0000448500000000, -0.0001595200000000 ] - [ 0.0003410300000000, -0.0013075800000000, -0.0011097700000000 ] - [ 0.0003611100000000, 0.0003827000000000, -0.0002293600000000 ] - [ 0.0015528000000000, 0.0004696800000000, -0.0005511200000000 ] - [ 0.0001897600000000, 0.0002310700000000, 0.0007806800000000 ] - [ 0.0012282500000000, 0.0002228900000000, 0.0000944300000000 ] - [ 0.0000662200000000, -0.0006605400000000, 0.0000073700000000 ] - [ 0.0008704900000000, -0.0008364100000000, -0.0001372600000000 ] - [ 0.0015290000000000, 0.0001707600000000, 0.0004327800000000 ] - [ 0.0013228400000000, -0.0002585900000000, 0.0001841000000000 ] - [ -0.0011557000000000, 0.0005983300000000, -0.0003940300000000 ] - [ 0.0001700900000000, 0.0002986700000000, -0.0002205400000000 ] - [ 0.0025686600000000, 0.0007873500000000, 0.0003957800000000 ] - [ 0.0007180300000000, -0.0000275900000000, 0.0001382800000000 ] - [ 0.0003880900000000, -0.0002781500000000, 0.0000616400000000 ] - [ 0.0001822400000000, -0.0008380100000000, -0.0001922300000000 ] - [ -0.0010951500000000, -0.0012017300000000, 0.0002389600000000 ] - [ 0.0004869500000000, 0.0002238400000000, -0.0000739900000000 ] - [ -0.0008278000000000, -0.0028587900000000, 0.0010591800000000 ] - [ 0.0016970100000000, 0.0002077300000000, -0.0001995400000000 ] - [ 0.0003489400000000, 0.0003023100000000, -0.0001841200000000 ] - [ -0.0030203200000000, -0.0005506100000000, -0.0004260700000000 ] - [ 0.0009625400000000, -0.0000685000000000, 0.0000963600000000 ] - [ 0.0007667900000000, -0.0000020400000000, -0.0003240300000000 ] - [ 0.0001299900000000, -0.0004102700000000, -0.0002407300000000 ] - [ 0.0001664000000000, -0.0008175500000000, 0.0002183000000000 ] - [ 0.0005347800000000, 0.0001581800000000, 0.0001101300000000 ] - [ 0.0003036900000000, 0.0005224200000000, -0.0000398200000000 ] - [ 0.0006199700000000, 0.0005003400000000, 0.0000034800000000 ] - [ 0.0001535700000000, 0.0004071200000000, -0.0001562500000000 ] - [ -0.0004997700000000, -0.0007128500000000, -0.0000354100000000 ] - [ 0.0001545800000000, -0.0006140900000000, -0.0002323900000000 ] - [ 0.0000112500000000, -0.0002887700000000, -0.0000495400000000 ] - [ 0.0002439500000000, -0.0006069200000000, -0.0000462000000000 ] - [ -0.0007857300000000, 0.0021608900000000, 0.0015678600000000 ] - [ 0.0010658900000000, -0.0003581200000000, -0.0000493200000000 ] - [ -0.0002016500000000, 0.0000607000000000, 0.0000359200000000 ] - [ -0.0038335800000000, -0.0005918900000000, 0.0005706000000000 ] - [ -0.0000018400000000, -0.0001933000000000, -0.0000700600000000 ] - [ 0.0027035300000000, 0.0000791200000000, -0.0011017000000000 ] - [ 0.0002458300000000, -0.0004870900000000, -0.0000214100000000 ] - [ 0.0018110800000000, -0.0005119100000000, 0.0007698200000000 ] - [ -0.0000159400000000, 0.0007165000000000, 0.0000319800000000 ] - [ -0.0001287300000000, -0.0000788600000000, 0.0008216600000000 ] - [ 0.0001234800000000, -0.0004362600000000, -0.0002664000000000 ] - [ -0.0007944600000000, 0.0002407500000000, -0.0011983600000000 ] - [ 0.0001983900000000, 0.0008042800000000, 0.0001113900000000 ] - [ 0.0004548000000000, 0.0004551400000000, 0.0002005100000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000530900000000, 0.0000692000000000, 0.0005237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000314300000000 ] - [ 0.0001069800000000, 0.0000796600000000, 0.0005909000000000 ] - [ -0.0000526600000000, -0.0000719000000000, 0.0001702600000000 ] - [ -0.0001412000000000, -0.0001410700000000, -0.0004441800000000 ] - [ 0.0000886000000000, -0.0000096600000000, 0.0001702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000247000000000 ] - [ -0.0000051100000000, -0.0000112000000000, -0.0002042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050704900000000 ] - [ 0.0000155000000000, -0.0001324700000000, 0.0005909000000000 ] - [ 0.0001509400000000, 0.0001013600000000, 0.0000781300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0184607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000921500000000 ] - [ -0.0000071400000000, 0.0000100300000000, -0.0002042300000000 ] - [ -0.0001224700000000, 0.0000528200000000, 0.0005909000000000 ] - [ -0.0000359400000000, 0.0000815600000000, 0.0001702600000000 ] - [ -0.0000333900000000, -0.0000805800000000, 0.0005237100000000 ] - [ 0.0000864800000000, 0.0000113800000000, 0.0005237100000000 ] - [ -0.0000515700000000, 0.0001928200000000, -0.0004441800000000 ] - [ 0.0000122500000000, 0.0000011700000000, -0.0002042300000000 ] - [ 0.0001927700000000, -0.0000517500000000, -0.0004441800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000548500000000 ] - [ 0.0000123100000000, -0.0001814000000000, 0.0000781300000000 ] - [ -0.0001632500000000, 0.0000800400000000, 0.0000781300000000 ] - [ 0.0066090600000000, 0.0007080800000000, -0.0005124300000000 ] - [ -0.0013942600000000, -0.0038725300000000, 0.0029032000000000 ] - [ 0.0006944600000000, -0.0004912500000000, 0.0000521600000000 ] - [ -0.0039177500000000, 0.0053695700000000, -0.0005124300000000 ] - [ -0.0006450700000000, 0.0001208400000000, 0.0007290600000000 ] - [ -0.0002103000000000, -0.0008449900000000, -0.0001417300000000 ] - [ -0.0007726700000000, -0.0003557900000000, 0.0000521600000000 ] - [ 0.0002524700000000, -0.0005515300000000, 0.0000794700000000 ] - [ -0.0006038700000000, 0.0000571200000000, 0.0000794700000000 ] - [ -0.0026913100000000, -0.0060776500000000, -0.0005124300000000 ] - [ 0.0000782100000000, 0.0008470400000000, 0.0000521600000000 ] - [ -0.0002189100000000, -0.0000987600000000, -0.0001007700000000 ] - [ 0.0003514100000000, 0.0004944100000000, 0.0000794700000000 ] - [ -0.0006266300000000, 0.0006046200000000, -0.0001417300000000 ] - [ 0.0002178800000000, -0.0006190700000000, 0.0007290600000000 ] - [ 0.0001949800000000, -0.0001402000000000, -0.0001007700000000 ] - [ 0.0000239300000000, 0.0002389600000000, -0.0001007700000000 ] - [ -0.0005568600000000, -0.0003293900000000, -0.0001640300000000 ] - [ 0.0004271900000000, 0.0004982300000000, 0.0007290600000000 ] - [ 0.0008369300000000, 0.0002403700000000, -0.0001417300000000 ] - [ -0.0026565800000000, 0.0031437200000000, 0.0029032000000000 ] - [ -0.0000068400000000, 0.0006469500000000, -0.0001640300000000 ] - [ 0.0040508300000000, 0.0007288000000000, 0.0029032000000000 ] - [ 0.0005636900000000, -0.0003175600000000, -0.0001640300000000 ] - [ -0.0000879500000000, -0.0010847400000000, -0.0010229200000000 ] - [ 0.0035832900000000, 0.0034179700000000, 0.0043849500000000 ] - [ 0.0000009300000000, 0.0003416100000000, -0.0005212700000000 ] - [ 0.0006798800000000, -0.0006393700000000, 0.0002433000000000 ] - [ 0.0003176400000000, -0.0004082800000000, 0.0000819900000000 ] - [ 0.0000468300000000, -0.0003943600000000, 0.0002603900000000 ] - [ -0.0047517000000000, 0.0013942300000000, 0.0043849500000000 ] - [ 0.0002953800000000, -0.0001716100000000, -0.0005212700000000 ] - [ -0.0005397400000000, 0.0010291100000000, -0.0001210000000000 ] - [ 0.0001947600000000, 0.0004792200000000, 0.0000819900000000 ] - [ -0.0005124000000000, -0.0000709500000000, 0.0000819900000000 ] - [ 0.0011684100000000, -0.0048122100000000, 0.0043849500000000 ] - [ -0.0008954300000000, 0.0006185400000000, -0.0010229200000000 ] - [ -0.0006213600000000, -0.0009819900000000, -0.0001210000000000 ] - [ 0.0011611100000000, -0.0000471200000000, -0.0001210000000000 ] - [ -0.0002963100000000, -0.0001700000000000, -0.0005212700000000 ] - [ -0.0076219200000000, -0.0007369500000000, -0.0030390200000000 ] - [ -0.0003649400000000, 0.0001566300000000, 0.0002603900000000 ] - [ 0.0031727500000000, 0.0069692500000000, -0.0030390200000000 ] - [ 0.0002137700000000, 0.0009084800000000, 0.0002433000000000 ] - [ 0.0009833800000000, 0.0004662000000000, -0.0010229200000000 ] - [ 0.0044491800000000, -0.0062323100000000, -0.0030390200000000 ] - [ -0.0008936500000000, -0.0002691100000000, 0.0002433000000000 ] - [ 0.0003181100000000, 0.0002377300000000, 0.0002603900000000 ] - [ 0.0003129300000000, 0.0001605600000000, -0.0000146700000000 ] - [ 0.0010664700000000, -0.0007369300000000, 0.0002469200000000 ] - [ 0.0009484600000000, 0.0011296900000000, -0.0000336900000000 ] - [ -0.0003676200000000, 0.0000491500000000, 0.0000834700000000 ] - [ 0.0000494500000000, -0.0000873700000000, -0.0000267300000000 ] - [ 0.0000744000000000, 0.0001534700000000, 0.0003914900000000 ] - [ -0.0020047200000000, -0.0013334200000000, 0.0000140000000000 ] - [ -0.0008466200000000, -0.0028012700000000, -0.0005167100000000 ] - [ -0.0005722900000000, 0.0000366000000000, -0.0000496500000000 ] - [ -0.0002955100000000, 0.0001907300000000, -0.0000146700000000 ] - [ 0.0028492800000000, 0.0006674400000000, -0.0005167100000000 ] - [ -0.0007284300000000, 0.0004418400000000, -0.0003659400000000 ] - [ 0.0002716300000000, -0.0002053200000000, 0.0001890700000000 ] - [ 0.0001941300000000, 0.0003447300000000, -0.0000092900000000 ] - [ 0.0005753800000000, 0.0000565300000000, 0.0000106100000000 ] - [ -0.0000704100000000, 0.0001175300000000, -0.0005227900000000 ] - [ -0.0000665800000000, -0.0001197500000000, -0.0005227900000000 ] - [ 0.0001456200000000, -0.0000266000000000, -0.0031441400000000 ] - [ 0.0000509400000000, 0.0000865200000000, -0.0000267300000000 ] - [ -0.0000314200000000, -0.0001481300000000, 0.0000715700000000 ] - [ 0.0004368600000000, 0.0001748000000000, -0.0000940400000000 ] - [ 0.0001150600000000, 0.0000741100000000, -0.0000167500000000 ] - [ 0.0000856000000000, 0.0000054400000000, 0.0007051700000000 ] - [ 0.0000066500000000, -0.0001367000000000, -0.0000167500000000 ] - [ -0.0001788900000000, 0.0001307500000000, -0.0001860200000000 ] - [ 0.0000056400000000, -0.0002979500000000, -0.0000460600000000 ] - [ -0.0012974100000000, -0.0016777000000000, 0.0000836700000000 ] - [ -0.0000670500000000, -0.0004657300000000, -0.0000940400000000 ] - [ -0.0008607600000000, 0.0015387700000000, 0.0002693400000000 ] - [ 0.0000923100000000, 0.0006575900000000, 0.0001841800000000 ] - [ -0.0000174200000000, -0.0003512800000000, -0.0000146700000000 ] - [ -0.0003136200000000, -0.0001325800000000, 0.0001890700000000 ] - [ -0.0009022300000000, -0.0015148300000000, 0.0002693400000000 ] - [ 0.0005233400000000, -0.0004087400000000, 0.0001841800000000 ] - [ -0.0008042300000000, 0.0019624500000000, 0.0000836700000000 ] - [ -0.0008626900000000, 0.0011537900000000, -0.0002102800000000 ] - [ -0.0003956100000000, -0.0000042400000000, -0.0000092900000000 ] - [ 0.0021571300000000, -0.0010694300000000, 0.0000140000000000 ] - [ 0.0002026800000000, 0.0000895500000000, -0.0001860200000000 ] - [ 0.0001440000000000, 0.0000468500000000, 0.0000715700000000 ] - [ 0.0001412500000000, -0.0003429500000000, 0.0000834700000000 ] - [ -0.0005678600000000, -0.0013240000000000, -0.0002102800000000 ] - [ 0.0001049700000000, 0.0012920600000000, 0.0002469200000000 ] - [ -0.0005330300000000, -0.0001121400000000, 0.0000917000000000 ] - [ 0.0005041200000000, -0.0013862300000000, -0.0000336900000000 ] - [ -0.0001217100000000, 0.0000625900000000, -0.0000167500000000 ] - [ -0.0020026600000000, 0.0021338300000000, -0.0005167100000000 ] - [ 0.0000489000000000, -0.0000189900000000, 0.0048669100000000 ] - [ 0.0001748500000000, -0.0000663100000000, -0.0001090100000000 ] - [ 0.0015630000000000, -0.0008423500000000, -0.0010423100000000 ] - [ -0.0000300000000000, 0.0001845800000000, -0.0001090100000000 ] - [ 0.0007468600000000, 0.0004099200000000, -0.0003659400000000 ] - [ -0.0000380900000000, -0.0000768500000000, 0.0007051700000000 ] - [ 0.0002014800000000, -0.0003404900000000, -0.0000092900000000 ] - [ -0.0002387300000000, -0.0005265600000000, 0.0000106100000000 ] - [ 0.0002544500000000, -0.0005139200000000, -0.0000496500000000 ] - [ -0.0014525700000000, 0.0002565400000000, -0.0000336900000000 ] - [ 0.0002263800000000, 0.0002938000000000, 0.0000834700000000 ] - [ -0.0000958500000000, -0.0001128100000000, -0.0031441400000000 ] - [ 0.0001861700000000, 0.0000497500000000, -0.0001179600000000 ] - [ -0.0000080000000000, 0.0000518400000000, 0.0048669100000000 ] - [ -0.0001004000000000, 0.0000008600000000, -0.0000267300000000 ] - [ -0.0000053300000000, 0.0000780900000000, 0.0000239500000000 ] - [ 0.0000957100000000, -0.0001411600000000, 0.0003914900000000 ] - [ -0.0000497700000000, 0.0001394100000000, -0.0031441400000000 ] - [ 0.0000702900000000, -0.0000344300000000, 0.0000239500000000 ] - [ -0.0000408900000000, -0.0000328500000000, 0.0048669100000000 ] - [ 0.0014305500000000, 0.0001702200000000, -0.0002102800000000 ] - [ -0.0001361700000000, 0.0001363500000000, -0.0001179600000000 ] - [ -0.0000520100000000, 0.0017747700000000, -0.0010423100000000 ] - [ -0.0001701000000000, -0.0000123000000000, 0.0003914900000000 ] - [ -0.0001397700000000, 0.0000127600000000, -0.0001562100000000 ] - [ -0.0000499900000000, -0.0001861000000000, -0.0001179600000000 ] - [ 0.0003636300000000, -0.0004055500000000, 0.0000917000000000 ] - [ 0.0000420000000000, 0.0003378900000000, 0.0001890700000000 ] - [ 0.0000809400000000, 0.0001146600000000, -0.0001562100000000 ] - [ -0.0001125700000000, 0.0001012800000000, 0.0000715700000000 ] - [ 0.0001369900000000, 0.0000022200000000, -0.0005227900000000 ] - [ -0.0002608500000000, 0.0001440900000000, -0.0000460600000000 ] - [ -0.0000237900000000, -0.0002203000000000, -0.0001860200000000 ] - [ 0.0003178400000000, 0.0004773200000000, -0.0000496500000000 ] - [ 0.0000588300000000, -0.0001274200000000, -0.0001562100000000 ] - [ -0.0015110000000000, -0.0009324200000000, -0.0010423100000000 ] - [ 0.0002552100000000, 0.0001538600000000, -0.0000460600000000 ] - [ -0.0000649600000000, -0.0000436600000000, 0.0000239500000000 ] - [ -0.0001524100000000, 0.0024028500000000, 0.0000140000000000 ] - [ -0.0003698100000000, 0.0002909300000000, -0.0000940400000000 ] - [ 0.0017630000000000, -0.0000239400000000, 0.0002693400000000 ] - [ -0.0001448500000000, -0.0001182700000000, -0.0001090100000000 ] - [ -0.0011714400000000, -0.0005551200000000, 0.0002469200000000 ] - [ -0.0003366500000000, 0.0004700300000000, 0.0000106100000000 ] - [ -0.0000475100000000, 0.0000714200000000, 0.0007051700000000 ] - [ -0.0000184300000000, -0.0008517600000000, -0.0003659400000000 ] - [ 0.0021016400000000, -0.0002847400000000, 0.0000836700000000 ] - [ 0.0001694000000000, 0.0005176900000000, 0.0000917000000000 ] - [ -0.0006156400000000, -0.0002488600000000, 0.0001841800000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000081000000000, -0.0000352900000000, -0.0002971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925000000000 ] - [ 0.0000031600000000, 0.0000686600000000, -0.0001316200000000 ] - [ -0.0000582100000000, -0.0000767400000000, 0.0002892300000000 ] - [ -0.0001537400000000, -0.0000656600000000, 0.0004790700000000 ] - [ 0.0000955600000000, -0.0000120400000000, 0.0002892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000823400000000 ] - [ 0.0000516500000000, -0.0000232200000000, 0.0004312100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049628100000000 ] - [ 0.0000578800000000, -0.0000370700000000, -0.0001316200000000 ] - [ 0.0001425100000000, 0.0001053700000000, -0.0000435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0186538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000316800000000 ] - [ -0.0000459400000000, -0.0000331200000000, 0.0004312100000000 ] - [ -0.0000610400000000, -0.0000315900000000, -0.0001316200000000 ] - [ -0.0000373500000000, 0.0000887800000000, 0.0002892300000000 ] - [ 0.0000265100000000, 0.0000246600000000, -0.0002971600000000 ] - [ -0.0000346100000000, 0.0000106300000000, -0.0002971600000000 ] - [ 0.0000200100000000, 0.0001659700000000, 0.0004790700000000 ] - [ -0.0000057200000000, 0.0000563400000000, 0.0004312100000000 ] - [ 0.0001337300000000, -0.0001003200000000, 0.0004790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000017500000000 ] - [ 0.0000199900000000, -0.0001761000000000, -0.0000435700000000 ] - [ -0.0001625100000000, 0.0000707400000000, -0.0000435700000000 ] - [ -0.0067693400000000, -0.0019881900000000, 0.0000398200000000 ] - [ 0.0011133700000000, 0.0042022700000000, -0.0029465500000000 ] - [ 0.0005999400000000, -0.0006066100000000, -0.0001592600000000 ] - [ 0.0051064900000000, -0.0048683300000000, 0.0000398200000000 ] - [ 0.0006277500000000, -0.0000765100000000, 0.0000733000000000 ] - [ -0.0000938000000000, -0.0008249400000000, 0.0000349600000000 ] - [ -0.0008253100000000, -0.0002162600000000, -0.0001592600000000 ] - [ -0.0002339900000000, 0.0005083200000000, 0.0007214100000000 ] - [ 0.0005572100000000, -0.0000515200000000, 0.0007214100000000 ] - [ 0.0016628500000000, 0.0068565100000000, 0.0000398200000000 ] - [ 0.0002253700000000, 0.0008228700000000, -0.0001592600000000 ] - [ -0.0002224800000000, 0.0000418500000000, 0.0000596100000000 ] - [ -0.0003232200000000, -0.0004568000000000, 0.0007214100000000 ] - [ -0.0006675200000000, 0.0004937100000000, 0.0000349600000000 ] - [ -0.0002476200000000, 0.0005819000000000, 0.0000733000000000 ] - [ 0.0000750000000000, -0.0002136000000000, 0.0000596100000000 ] - [ 0.0001474800000000, 0.0001717500000000, 0.0000596100000000 ] - [ -0.0006178600000000, -0.0001985700000000, -0.0003355900000000 ] - [ -0.0003801300000000, -0.0005053900000000, 0.0000733000000000 ] - [ 0.0007613300000000, 0.0003312300000000, 0.0000349600000000 ] - [ 0.0030825900000000, -0.0030653400000000, -0.0029465500000000 ] - [ 0.0001369600000000, 0.0006343600000000, -0.0003355900000000 ] - [ -0.0041959600000000, -0.0011369300000000, -0.0029465500000000 ] - [ 0.0004809000000000, -0.0004357900000000, -0.0003355900000000 ] - [ 0.0003716000000000, 0.0000452300000000, -0.0001117300000000 ] - [ -0.0019174800000000, -0.0030559600000000, -0.0037134500000000 ] - [ -0.0002548200000000, 0.0003100200000000, -0.0007486600000000 ] - [ 0.0004831300000000, -0.0006082100000000, 0.0004284200000000 ] - [ 0.0003278600000000, -0.0001385700000000, 0.0002710100000000 ] - [ -0.0001984500000000, -0.0004382000000000, 0.0000927400000000 ] - [ 0.0036052800000000, -0.0001326000000000, -0.0037134500000000 ] - [ 0.0003959000000000, 0.0000656700000000, -0.0007486600000000 ] - [ 0.0002550700000000, 0.0000102200000000, -0.0010165100000000 ] - [ -0.0000439200000000, 0.0003532200000000, 0.0002710100000000 ] - [ -0.0002839400000000, -0.0002146500000000, 0.0002710100000000 ] - [ -0.0016878000000000, 0.0031885700000000, -0.0037134500000000 ] - [ -0.0001466300000000, -0.0003444300000000, -0.0001117300000000 ] - [ -0.0001363900000000, 0.0002157800000000, -0.0010165100000000 ] - [ -0.0001186800000000, -0.0002260100000000, -0.0010165100000000 ] - [ -0.0001410800000000, -0.0003756900000000, -0.0007486600000000 ] - [ 0.0078501400000000, 0.0000860400000000, 0.0017244300000000 ] - [ -0.0002802600000000, 0.0003909600000000, 0.0000927400000000 ] - [ -0.0038505600000000, -0.0068414400000000, 0.0017244300000000 ] - [ 0.0002851600000000, 0.0007225100000000, 0.0004284200000000 ] - [ -0.0002249700000000, 0.0002992000000000, -0.0001117300000000 ] - [ -0.0039995800000000, 0.0067554000000000, 0.0017244300000000 ] - [ -0.0007682900000000, -0.0001143000000000, 0.0004284200000000 ] - [ 0.0004787200000000, 0.0000472300000000, 0.0000927400000000 ] - [ 0.0003024800000000, 0.0001356000000000, 0.0001915600000000 ] - [ -0.0003487800000000, 0.0010992400000000, 0.0000110800000000 ] - [ -0.0000861500000000, -0.0008722700000000, 0.0003005300000000 ] - [ -0.0004206300000000, 0.0004087500000000, -0.0000035300000000 ] - [ 0.0001173400000000, -0.0000692400000000, -0.0000155800000000 ] - [ 0.0001096500000000, 0.0001331500000000, -0.0005124100000000 ] - [ 0.0020634100000000, 0.0018170900000000, -0.0003299100000000 ] - [ -0.0002799300000000, 0.0027888200000000, 0.0005788200000000 ] - [ -0.0001259500000000, 0.0002146700000000, 0.0000007100000000 ] - [ -0.0002686800000000, 0.0001941500000000, 0.0001915600000000 ] - [ -0.0022752200000000, -0.0016368400000000, 0.0005788200000000 ] - [ -0.0006653800000000, 0.0004547300000000, -0.0003472200000000 ] - [ 0.0002930300000000, -0.0001799600000000, -0.0000119900000000 ] - [ -0.0001906100000000, 0.0005672000000000, 0.0000900700000000 ] - [ 0.0005467100000000, -0.0000196400000000, -0.0000038900000000 ] - [ -0.0000854500000000, 0.0001833900000000, 0.0004024300000000 ] - [ -0.0001161000000000, -0.0001657000000000, 0.0004024300000000 ] - [ -0.0000617200000000, 0.0003937400000000, 0.0027106200000000 ] - [ 0.0000013000000000, 0.0001362400000000, -0.0000155800000000 ] - [ 0.0002603900000000, -0.0003473100000000, 0.0000140100000000 ] - [ 0.0000999800000000, 0.0000038600000000, -0.0000424000000000 ] - [ 0.0001033800000000, -0.0000080700000000, -0.0000253900000000 ] - [ 0.0000733200000000, 0.0000235600000000, 0.0009139100000000 ] - [ -0.0000586800000000, -0.0000854900000000, -0.0000253900000000 ] - [ -0.0002132900000000, 0.0001672100000000, -0.0001484500000000 ] - [ 0.0004180900000000, -0.0000777200000000, -0.0000899300000000 ] - [ -0.0001836100000000, 0.0008243600000000, -0.0008999900000000 ] - [ -0.0000466500000000, -0.0000885100000000, -0.0000424000000000 ] - [ 0.0007290900000000, -0.0008066900000000, -0.0003133400000000 ] - [ 0.0001176000000000, 0.0002168000000000, 0.0000807200000000 ] - [ -0.0000338000000000, -0.0003297600000000, 0.0001915600000000 ] - [ -0.0003023700000000, -0.0001637900000000, -0.0000119900000000 ] - [ 0.0003340700000000, 0.0010347600000000, -0.0003133400000000 ] - [ 0.0001289600000000, -0.0002102500000000, 0.0000807200000000 ] - [ 0.0008057200000000, -0.0002531700000000, -0.0008999900000000 ] - [ 0.0005506500000000, -0.0016012500000000, 0.0002944600000000 ] - [ -0.0003959100000000, -0.0004486700000000, 0.0000900700000000 ] - [ -0.0026053600000000, 0.0008784200000000, -0.0003299100000000 ] - [ 0.0002514500000000, 0.0001011100000000, -0.0001484500000000 ] - [ 0.0001705900000000, 0.0003991600000000, 0.0000140100000000 ] - [ -0.0001436700000000, -0.0005686500000000, -0.0000035300000000 ] - [ 0.0011113900000000, 0.0012775000000000, 0.0002944600000000 ] - [ -0.0007775800000000, -0.0008516700000000, 0.0000110800000000 ] - [ -0.0001855200000000, -0.0002492600000000, 0.0001695200000000 ] - [ -0.0007123300000000, 0.0005107400000000, 0.0003005300000000 ] - [ -0.0000447000000000, 0.0000935700000000, -0.0000253900000000 ] - [ 0.0025551600000000, -0.0011519800000000, 0.0005788200000000 ] - [ 0.0000623000000000, -0.0000930700000000, -0.0032422500000000 ] - [ 0.0001481700000000, 0.0000048900000000, -0.0001647700000000 ] - [ -0.0016424400000000, 0.0007307500000000, 0.0010569000000000 ] - [ -0.0000783200000000, 0.0001258800000000, -0.0001647700000000 ] - [ 0.0007265000000000, 0.0003488700000000, -0.0003472200000000 ] - [ -0.0000162600000000, -0.0000752700000000, 0.0009139100000000 ] - [ 0.0005865100000000, -0.0001185300000000, 0.0000900700000000 ] - [ -0.0002903600000000, -0.0004636400000000, -0.0000038900000000 ] - [ -0.0001229400000000, -0.0002164100000000, 0.0000007100000000 ] - [ 0.0007984800000000, 0.0003615300000000, 0.0003005300000000 ] - [ 0.0005643000000000, 0.0001599100000000, -0.0000035300000000 ] - [ 0.0003718500000000, -0.0001434200000000, 0.0027106200000000 ] - [ 0.0001793000000000, 0.0000590500000000, -0.0003124100000000 ] - [ 0.0000494500000000, 0.0001004900000000, -0.0032422500000000 ] - [ -0.0001186300000000, -0.0000669900000000, -0.0000155800000000 ] - [ 0.0000747900000000, 0.0000389500000000, -0.0000079200000000 ] - [ 0.0000604800000000, -0.0001615400000000, -0.0005124100000000 ] - [ -0.0003101300000000, -0.0002503300000000, 0.0027106200000000 ] - [ -0.0000036700000000, -0.0000842500000000, -0.0000079200000000 ] - [ -0.0001117500000000, -0.0000074200000000, -0.0032422500000000 ] - [ -0.0016620500000000, 0.0003237400000000, 0.0002944600000000 ] - [ -0.0001407900000000, 0.0001257500000000, -0.0003124100000000 ] - [ 0.0001883700000000, -0.0017877700000000, 0.0010569000000000 ] - [ -0.0001701400000000, 0.0000283900000000, -0.0005124100000000 ] - [ -0.0001836400000000, 0.0000482100000000, -0.0001170200000000 ] - [ -0.0000385100000000, -0.0001848100000000, -0.0003124100000000 ] - [ 0.0003086300000000, -0.0000360400000000, 0.0001695200000000 ] - [ 0.0000093300000000, 0.0003437500000000, -0.0000119900000000 ] - [ 0.0001335700000000, 0.0001349300000000, -0.0001170200000000 ] - [ -0.0004309700000000, -0.0000518400000000, 0.0000140100000000 ] - [ 0.0002015500000000, -0.0000176900000000, 0.0004024300000000 ] - [ -0.0002763600000000, -0.0003232200000000, -0.0000899300000000 ] - [ -0.0000381600000000, -0.0002683200000000, -0.0001484500000000 ] - [ 0.0002488800000000, 0.0000017400000000, 0.0000007100000000 ] - [ 0.0000500700000000, -0.0001831400000000, -0.0001170200000000 ] - [ 0.0014540700000000, 0.0010570200000000, 0.0010569000000000 ] - [ -0.0001417400000000, 0.0004009400000000, -0.0000899300000000 ] - [ -0.0000711200000000, 0.0000453000000000, -0.0000079200000000 ] - [ 0.0005419400000000, -0.0026955100000000, -0.0003299100000000 ] - [ -0.0000533300000000, 0.0000846500000000, -0.0000424000000000 ] - [ -0.0010631600000000, -0.0002280600000000, -0.0003133400000000 ] - [ -0.0000698500000000, -0.0001307600000000, -0.0001647700000000 ] - [ 0.0011263600000000, -0.0002475700000000, 0.0000110800000000 ] - [ -0.0002563500000000, 0.0004832800000000, -0.0000038900000000 ] - [ -0.0000570600000000, 0.0000517100000000, 0.0009139100000000 ] - [ -0.0000611200000000, -0.0008036000000000, -0.0003472200000000 ] - [ -0.0006221200000000, -0.0005711900000000, -0.0008999900000000 ] - [ -0.0001231000000000, 0.0002853000000000, 0.0001695200000000 ] - [ -0.0002465600000000, -0.0000065600000000, 0.0000807200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0001311700000000, 0.0011332300000000, -0.0002115600000000 ] - [ 0.0004257500000000, -0.0007912900000000, 0.0000052100000000 ] - [ -0.0018581400000000, -0.0040761400000000, 0.0035580900000000 ] - [ -0.0001700400000000, 0.0001510600000000, 0.0002470900000000 ] - [ 0.0009129700000000, 0.0000464900000000, 0.0000583600000000 ] - [ 0.0018799600000000, 0.0000405700000000, -0.0001579700000000 ] - [ 0.0004039800000000, 0.0008215300000000, -0.0000122200000000 ] - [ -0.0000058700000000, 0.0011206400000000, 0.0004794400000000 ] - [ 0.0030501700000000, -0.0004475000000000, -0.0040698700000000 ] - [ 0.0010215400000000, 0.0001205600000000, 0.0001346200000000 ] - [ 0.0000542700000000, -0.0001090500000000, -0.0000206000000000 ] - [ 0.0067331200000000, -0.0000968200000000, 0.0067629100000000 ] - [ 0.0003541800000000, -0.0006711800000000, 0.0001146900000000 ] - [ 0.0010037900000000, -0.0001267000000000, 0.0001490800000000 ] - [ 0.0000162300000000, -0.0009212300000000, -0.0000401800000000 ] - [ -0.0002512700000000, -0.0000663100000000, 0.0002659900000000 ] - [ -0.0019243300000000, 0.0041457400000000, 0.0034595700000000 ] - [ 0.0009779700000000, -0.0001814000000000, 0.0000420600000000 ] - [ -0.0001046600000000, -0.0007556900000000, 0.0003861800000000 ] - [ -0.0017369800000000, 0.0038290700000000, -0.0016718000000000 ] - [ -0.0027196400000000, -0.0033941900000000, -0.0015515500000000 ] - [ 0.0003485200000000, 0.0007283200000000, 0.0001028000000000 ] - [ 0.0019047800000000, -0.0001443300000000, 0.0008975100000000 ] - [ -0.0001676700000000, 0.0003498900000000, -0.0000021400000000 ] - [ -0.2806149300000000, -0.0128273400000000, -0.0065233100000000 ] - [ -0.0024677400000000, -0.0002816600000000, -0.0018681200000000 ] - [ 0.0027844700000000, -0.0011193600000000, 0.0001085100000000 ] - [ 0.0055288300000000, -0.0017758600000000, 0.0002223600000000 ] - [ 0.0027910600000000, -0.0000905600000000, 0.0003943600000000 ] - [ 0.0008544300000000, -0.0014882500000000, 0.0000550600000000 ] - [ -0.0006868100000000, -0.0008433000000000, -0.0001641700000000 ] - [ 0.0006382000000000, -0.0012500800000000, 0.0005239400000000 ] - [ -0.0012414700000000, 0.0004257800000000, -0.0073338700000000 ] - [ 0.0041938500000000, 0.0025392200000000, 0.0005719100000000 ] - [ -0.0009721300000000, -0.0011010900000000, 0.0002655900000000 ] - [ 0.0001231800000000, 0.0015263300000000, -0.0000803200000000 ] - [ 0.0012066300000000, 0.0012566300000000, 0.0005222400000000 ] - [ -0.0005916400000000, -0.0009171800000000, -0.0001585100000000 ] - [ -0.0024743900000000, 0.0027613400000000, -0.0003099800000000 ] - [ 0.0052965100000000, 0.0056300200000000, -0.0011170300000000 ] - [ 0.0012494100000000, 0.0008809200000000, 0.0000893200000000 ] - [ 0.0013549100000000, 0.0001038500000000, -0.0000795500000000 ] - [ -0.0031178000000000, -0.0018714100000000, 0.0001267700000000 ] - [ 0.0042784700000000, -0.0061813000000000, -0.0013715900000000 ] - [ -0.0017589800000000, 0.0006645200000000, -0.0030316600000000 ] - [ -0.0006065900000000, 0.0027641700000000, -0.0002075100000000 ] - [ 0.0023204800000000, -0.0004295100000000, -0.0003255000000000 ] - [ 0.0005152100000000, 0.0003736100000000, -0.0003557600000000 ] - [ 0.0013438100000000, 0.0014611700000000, -0.0004065000000000 ] - [ 0.0056709600000000, -0.0154212900000000, -0.0065239000000000 ] - [ -0.0019332500000000, 0.0030816700000000, -0.0003759500000000 ] - [ 0.0013959700000000, 0.0000370900000000, 0.0002638700000000 ] - [ 0.0005093100000000, -0.0016708700000000, 0.0002492300000000 ] - [ -0.0018358500000000, -0.0043568000000000, 0.0006836200000000 ] - [ 0.0035430200000000, 0.0002407200000000, -0.0004115400000000 ] - [ 0.0006982000000000, 0.0012822900000000, -0.0007226900000000 ] - [ -0.0029641800000000, 0.0014136500000000, -0.0012116400000000 ] - [ 0.0014566200000000, -0.0000751400000000, 0.0001320600000000 ] - [ 0.0014977300000000, -0.0031675800000000, -0.0012005400000000 ] - [ 0.0001630100000000, 0.0232742000000000, -0.0123687000000000 ] - [ 0.0009647800000000, -0.0015955800000000, -0.0003433800000000 ] - [ -0.0018956900000000, -0.0008358100000000, -0.0011133400000000 ] - [ 0.0032278500000000, -0.0001482200000000, -0.0005466800000000 ] - [ 0.0031224800000000, 0.0006460800000000, -0.0006841500000000 ] - [ -0.0066085500000000, -0.0015957600000000, -0.0012192600000000 ] - [ 0.0026676700000000, -0.0002062600000000, 0.0003106100000000 ] - [ 0.0016758400000000, 0.0013463500000000, 0.0008567200000000 ] - [ 0.0004410700000000, 0.0023706000000000, 0.0004308700000000 ] - [ 0.0450140700000000, 0.0034223100000000, -0.0075806900000000 ] - [ 0.0011242200000000, -0.0015959800000000, 0.0003894000000000 ] - [ 0.0002536700000000, 0.0032500500000000, -0.0011152200000000 ] - [ 0.0004538500000000, -0.0007600100000000, 0.0001249100000000 ] - [ -0.0007939500000000, 0.0003997300000000, -0.0001672800000000 ] - [ -0.0013205000000000, 0.0022268900000000, 0.0001512500000000 ] - [ 0.0020957300000000, 0.0006891400000000, 0.0006584400000000 ] - [ -0.0004302700000000, 0.0012856500000000, 0.0000386000000000 ] - [ -0.0001188800000000, 0.0016109600000000, 0.0001338900000000 ] - [ -0.0004652400000000, -0.0005581900000000, -0.0002276600000000 ] - [ -0.0012707100000000, 0.0002576800000000, -0.0005463900000000 ] - [ -0.0008428700000000, -0.0008392300000000, 0.0003688500000000 ] - [ 0.0017036400000000, -0.0006142900000000, -0.0002195800000000 ] - [ 0.0001074600000000, 0.0018149600000000, -0.0000801400000000 ] - [ 0.0037626500000000, -0.0011267000000000, 0.0028323800000000 ] - [ -0.0009208700000000, -0.0000305100000000, -0.0003293400000000 ] - [ -0.0001962800000000, -0.0000035600000000, 0.0000507200000000 ] - [ 0.0018303400000000, 0.0012183900000000, 0.0003646700000000 ] - [ 0.0001808400000000, -0.0007102600000000, -0.0000985300000000 ] - [ -0.0013201700000000, 0.0001767900000000, -0.0000798500000000 ] - [ 0.0010747200000000, -0.0009150800000000, 0.0007635300000000 ] - [ -0.0014338300000000, 0.0001597900000000, 0.0002991200000000 ] - [ -0.0002134600000000, 0.0006931100000000, -0.0000455300000000 ] - [ -0.0005747800000000, -0.0001408300000000, 0.0000785100000000 ] - [ -0.0014083700000000, -0.0000054400000000, -0.0002349900000000 ] - [ -0.0000059400000000, 0.0005598600000000, 0.0000190800000000 ] - [ -0.0010828300000000, -0.0002885300000000, 0.0005195500000000 ] - [ 0.0002366800000000, 0.0018178800000000, 0.0004424400000000 ] - [ -0.0038126300000000, -0.0011669100000000, -0.0006988800000000 ] - [ -0.0008645200000000, -0.0003964300000000, -0.0000142800000000 ] - [ -0.0043653800000000, 0.0045448000000000, 0.0008559500000000 ] - [ 0.0002774200000000, 0.0003632800000000, -0.0000284800000000 ] - [ -0.0008888300000000, 0.0015649200000000, -0.0002910700000000 ] - [ -0.0000680800000000, -0.0007508500000000, 0.0000279300000000 ] - [ 0.0000030000000000, 0.0001018400000000, 0.0001404300000000 ] - [ -0.0002934100000000, 0.0004770500000000, 0.0000946200000000 ] - [ -0.0012895700000000, -0.0015627000000000, -0.0003460900000000 ] - [ -0.0008275300000000, -0.0000813500000000, 0.0000927600000000 ] - [ 0.0814015400000000, 0.0680478200000000, -0.0118286700000000 ] - [ 0.0059037700000000, -0.0095492700000000, 0.0005735000000000 ] - [ -0.0000405900000000, 0.0000495400000000, -0.0000261600000000 ] - [ 0.0032719400000000, 0.0017132900000000, 0.0001079600000000 ] - [ 0.0002422400000000, -0.0013711200000000, 0.0000046800000000 ] - [ 0.0001448100000000, -0.0006848000000000, 0.0000803700000000 ] - [ -0.0010136000000000, -0.0007870300000000, 0.0000727500000000 ] - [ 0.0014740200000000, 0.0044852400000000, -0.0003951500000000 ] - [ -0.0020558100000000, -0.0014421700000000, 0.0000987700000000 ] - [ -0.0017911100000000, 0.0000802000000000, 0.0003291500000000 ] - [ 0.0013307800000000, -0.0019670400000000, 0.0007031800000000 ] - [ -0.0010790000000000, 0.0008652000000000, -0.0001894600000000 ] - [ -0.0008171500000000, 0.0011314300000000, 0.0000189200000000 ] - [ -0.0014214500000000, -0.0012442700000000, -0.0005978600000000 ] - [ 0.0000629300000000, 0.0006245500000000, -0.0000962500000000 ] - [ -0.0019866300000000, 0.0000112200000000, 0.0003107000000000 ] - [ -0.0013463700000000, 0.0008587700000000, 0.0002048200000000 ] - [ -0.0008072800000000, -0.0005669000000000, 0.0002572200000000 ] - [ 0.0003771100000000, -0.0013306300000000, 0.0006599600000000 ] - [ -0.0008714600000000, -0.0004804800000000, 0.0000055000000000 ] - [ -0.0014376400000000, -0.0015577600000000, 0.0002723400000000 ] - [ -0.0015539200000000, -0.0000124300000000, 0.0001168200000000 ] - [ -0.0025206100000000, 0.0003587300000000, 0.0000906000000000 ] - [ -0.0094195100000000, 0.0052848900000000, -0.0001078100000000 ] - [ 0.0003925100000000, 0.0012067900000000, 0.0024036000000000 ] - [ 0.0001333000000000, -0.0006241400000000, -0.0002008100000000 ] - [ 0.0195491700000000, 0.0007426100000000, -0.0003775400000000 ] - [ -0.0026888200000000, 0.0012803200000000, -0.0004944600000000 ] - [ -0.0008339500000000, -0.0005105500000000, -0.0002060600000000 ] - [ -0.0003705700000000, 0.0005038300000000, -0.0002543200000000 ] - [ 0.0028792900000000, -0.0039699000000000, 0.0090605200000000 ] - [ 0.0005874500000000, -0.0019446000000000, 0.0005587700000000 ] - [ -0.0013915100000000, 0.0008824800000000, -0.0001842600000000 ] - [ -0.0029443900000000, 0.0002630400000000, -0.0000477600000000 ] - [ -0.0016501300000000, -0.0015960600000000, 0.0012989000000000 ] - [ -0.0041527900000000, -0.0049656900000000, 0.0013934300000000 ] - [ -0.0068651900000000, -0.0008213200000000, 0.0124840800000000 ] - [ -0.0019581800000000, 0.0007347400000000, 0.0002680000000000 ] - [ -0.0004351200000000, -0.0004300100000000, -0.0002382200000000 ] - [ 0.0007379100000000, -0.0006381400000000, 0.0002063100000000 ] - [ -0.0013114300000000, 0.0021314900000000, 0.0014847400000000 ] - [ -0.0001108700000000, 0.0003642500000000, -0.0000952300000000 ] - [ -0.0013719900000000, -0.0019208000000000, 0.0011320800000000 ] - [ 0.0011469100000000, 0.0004356900000000, 0.0004850000000000 ] - [ -0.0002929100000000, 0.0009202800000000, 0.0000453800000000 ] - [ -0.0000762200000000, -0.0008205300000000, -0.0002051700000000 ] - [ 0.0003366800000000, -0.0012188700000000, 0.0001796200000000 ] - [ -0.0000097300000000, 0.0009158300000000, -0.0003948800000000 ] - [ 0.0274385900000000, -0.0244652000000000, -0.0152886400000000 ] - [ -0.0008413200000000, 0.0021976400000000, 0.0007192400000000 ] - [ -0.0003045200000000, -0.0006845800000000, -0.0000146500000000 ] - [ 0.0004397400000000, 0.0005655200000000, -0.0004769500000000 ] - [ 0.0020905200000000, 0.0005481400000000, -0.0000322700000000 ] - [ 0.0061691100000000, -0.0006012700000000, -0.0015233600000000 ] - [ 0.0003603200000000, 0.0037079900000000, -0.0005759400000000 ] - [ 0.1159252400000000, -0.0302613600000000, 0.0365131200000000 ] - [ -0.0000313800000000, -0.0025523900000000, -0.0004213700000000 ] - [ -0.0000585000000000, -0.0005143200000000, 0.0009162500000000 ] - [ -0.0002651100000000, -0.0021180700000000, -0.0006285300000000 ] - [ -0.0024680600000000, -0.0003134300000000, 0.0002318900000000 ] - [ 0.0011810100000000, -0.0000210300000000, 0.0003063200000000 ] - [ -0.0103152000000000, -0.0095488400000000, 0.0002866500000000 ]- atom: 25 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0001945600000000, -0.0011037100000000, 0.0004367400000000 ] - [ -0.0004263000000000, 0.0007910700000000, 0.0001108200000000 ] - [ 0.0019899900000000, 0.0042264500000000, -0.0030967400000000 ] - [ 0.0000505200000000, -0.0003061500000000, 0.0002095500000000 ] - [ -0.0012165000000000, -0.0002330900000000, -0.0000236000000000 ] - [ -0.0016872000000000, -0.0000628600000000, 0.0006149000000000 ] - [ -0.0004024400000000, -0.0008227200000000, 0.0001269900000000 ] - [ 0.0000656000000000, -0.0011539900000000, -0.0002557600000000 ] - [ -0.0030430200000000, 0.0004508600000000, 0.0041499800000000 ] - [ -0.0009448000000000, -0.0002983700000000, 0.0003235900000000 ] - [ 0.0002495400000000, 0.0002971000000000, 0.0000545900000000 ] - [ -0.0066599800000000, 0.0001135700000000, -0.0066164800000000 ] - [ -0.0003536100000000, 0.0006725200000000, 0.0000019800000000 ] - [ -0.0010602200000000, 0.0000892900000000, 0.0000754600000000 ] - [ -0.0002167300000000, 0.0009442500000000, 0.0004975800000000 ] - [ 0.0001758300000000, 0.0002451300000000, 0.0001922500000000 ] - [ 0.0019458800000000, -0.0042174400000000, -0.0032510400000000 ] - [ -0.0009203100000000, 0.0002172300000000, 0.0001808900000000 ] - [ 0.0000864800000000, 0.0011137800000000, -0.0003514800000000 ] - [ 0.0017572400000000, -0.0037655200000000, 0.0018996400000000 ] - [ 0.0030560500000000, 0.0032222300000000, 0.0015868900000000 ] - [ -0.0003485500000000, -0.0007317600000000, -0.0000376000000000 ] - [ -0.0018878400000000, -0.0002110300000000, -0.0008637900000000 ] - [ -0.0001499000000000, -0.0001803700000000, 0.0000385200000000 ] - [ 0.2857621800000000, 0.0047852000000000, 0.0105757400000000 ] - [ 0.0021717200000000, 0.0006322600000000, 0.0018248000000000 ] - [ -0.0014995000000000, -0.0000066800000000, -0.0002181400000000 ] - [ -0.0043031600000000, 0.0022789300000000, -0.0007148200000000 ] - [ -0.0028123300000000, 0.0001287600000000, 0.0004077000000000 ] - [ -0.0011996000000000, -0.0001724800000000, -0.0001649100000000 ] - [ -0.0009349000000000, 0.0003081500000000, 0.0000602500000000 ] - [ -0.0006152000000000, 0.0012103200000000, 0.0002812400000000 ] - [ 0.0012221400000000, -0.0004271000000000, 0.0082088100000000 ] - [ -0.0052488100000000, -0.0017398700000000, -0.0010776100000000 ] - [ 0.0013223200000000, 0.0027647200000000, -0.0003730500000000 ] - [ -0.0005424900000000, -0.0016097800000000, 0.0000357800000000 ] - [ -0.0011986300000000, -0.0012127300000000, 0.0002770600000000 ] - [ -0.0006952000000000, 0.0020444800000000, 0.0000483600000000 ] - [ 0.0024670600000000, -0.0028134900000000, 0.0011091600000000 ] - [ -0.0050394500000000, -0.0059948500000000, 0.0010758000000000 ] - [ -0.0010947100000000, -0.0004711200000000, -0.0001294600000000 ] - [ -0.0025426100000000, -0.0006190900000000, -0.0004196800000000 ] - [ 0.0031715300000000, 0.0018868300000000, 0.0006785400000000 ] - [ -0.0026603900000000, 0.0067219300000000, 0.0012598700000000 ] - [ 0.0021578400000000, -0.0005927500000000, 0.0029833400000000 ] - [ 0.0007726200000000, -0.0014816700000000, -0.0002933100000000 ] - [ -0.0024724700000000, 0.0000179600000000, 0.0002838600000000 ] - [ 0.0005262700000000, -0.0011597900000000, -0.0001417400000000 ] - [ -0.0010852600000000, -0.0024950700000000, -0.0007295500000000 ] - [ -0.0041840400000000, 0.0157123100000000, 0.0071396000000000 ] - [ 0.0017552600000000, -0.0024556400000000, -0.0009011300000000 ] - [ -0.0002515000000000, -0.0012822600000000, 0.0004072100000000 ] - [ 0.0001731600000000, 0.0011441400000000, 0.0001159100000000 ] - [ 0.0017192800000000, 0.0035259000000000, -0.0003312000000000 ] - [ -0.0046793500000000, 0.0010041600000000, 0.0010771700000000 ] - [ 0.0000060800000000, -0.0014296300000000, -0.0005444300000000 ] - [ 0.0027085400000000, -0.0003870200000000, 0.0000764400000000 ] - [ -0.0013357400000000, 0.0009091500000000, 0.0002225800000000 ] - [ -0.0022583000000000, 0.0028505300000000, 0.0015574100000000 ] - [ -0.0006611000000000, -0.0248216000000000, 0.0130452800000000 ] - [ -0.0020125900000000, 0.0018770300000000, -0.0007928400000000 ] - [ 0.0011489700000000, 0.0000855100000000, -0.0000207600000000 ] - [ -0.0021770600000000, -0.0001396200000000, -0.0005916500000000 ] - [ -0.0035584200000000, -0.0011975000000000, -0.0005879000000000 ] - [ 0.0068101000000000, 0.0009725000000000, -0.0001056100000000 ] - [ -0.0033488900000000, 0.0007352900000000, 0.0000540000000000 ] - [ -0.0023860000000000, -0.0011985500000000, -0.0021180700000000 ] - [ 0.0000697200000000, -0.0007671100000000, 0.0002414900000000 ] - [ -0.0446085600000000, -0.0025137500000000, 0.0062716200000000 ] - [ -0.0007033200000000, 0.0021336800000000, -0.0016500700000000 ] - [ -0.0018980000000000, -0.0036169200000000, 0.0017991900000000 ] - [ 0.0003031800000000, 0.0010887600000000, 0.0002274300000000 ] - [ 0.0014024300000000, -0.0000888700000000, 0.0003373300000000 ] - [ 0.0020264300000000, -0.0018577000000000, 0.0000985100000000 ] - [ -0.0012333500000000, -0.0004267000000000, -0.0004084100000000 ] - [ -0.0003573800000000, -0.0008455300000000, 0.0000219700000000 ] - [ 0.0002654200000000, -0.0017626200000000, -0.0001782500000000 ] - [ 0.0006555800000000, 0.0008378400000000, 0.0001068000000000 ] - [ 0.0013410900000000, 0.0002209400000000, 0.0002073100000000 ] - [ -0.0002420000000000, 0.0007824400000000, -0.0003615300000000 ] - [ -0.0024324700000000, 0.0008670400000000, 0.0001839100000000 ] - [ -0.0006857100000000, -0.0014426400000000, 0.0002463000000000 ] - [ -0.0031014800000000, 0.0001444900000000, -0.0027749500000000 ] - [ -0.0004684600000000, 0.0009331600000000, -0.0003750600000000 ] - [ 0.0007728600000000, -0.0003679300000000, 0.0001168300000000 ] - [ -0.0018668400000000, -0.0003125600000000, -0.0003046300000000 ] - [ 0.0009160700000000, 0.0007688100000000, 0.0001112200000000 ] - [ 0.0011671200000000, 0.0001281100000000, -0.0000443900000000 ] - [ -0.0012655800000000, 0.0006390200000000, -0.0008877600000000 ] - [ 0.0015143500000000, 0.0002215500000000, -0.0007328300000000 ] - [ 0.0002743400000000, -0.0004957900000000, 0.0000021200000000 ] - [ 0.0007991600000000, -0.0003643600000000, 0.0000313200000000 ] - [ 0.0019567000000000, 0.0001945200000000, 0.0001126200000000 ] - [ 0.0002160400000000, -0.0005164200000000, -0.0000655300000000 ] - [ 0.0012315300000000, 0.0003035700000000, 0.0010920000000000 ] - [ -0.0002989600000000, -0.0020242300000000, -0.0004865400000000 ] - [ 0.0034435900000000, 0.0014653300000000, 0.0003696900000000 ] - [ 0.0013091700000000, 0.0000083300000000, -0.0001048200000000 ] - [ 0.0028967200000000, -0.0052207900000000, -0.0015236800000000 ] - [ -0.0003887000000000, -0.0009423000000000, -0.0000967200000000 ] - [ 0.0007746500000000, -0.0008366700000000, 0.0002654600000000 ] - [ 0.0002690300000000, 0.0016303800000000, 0.0002232200000000 ] - [ -0.0000337800000000, -0.0007871700000000, 0.0000252200000000 ] - [ -0.0003135600000000, -0.0007889300000000, 0.0000756700000000 ] - [ 0.0007183300000000, 0.0010711700000000, 0.0003138400000000 ] - [ 0.0014907100000000, -0.0005249400000000, 0.0001531200000000 ] - [ -0.0790323300000000, -0.0628138600000000, 0.0104775000000000 ] - [ -0.0062291300000000, 0.0090965200000000, -0.0004651300000000 ] - [ -0.0007367000000000, -0.0005171600000000, 0.0000890300000000 ] - [ -0.0037118300000000, -0.0018664900000000, -0.0004160200000000 ] - [ 0.0002062900000000, 0.0015586300000000, -0.0003415200000000 ] - [ 0.0001728100000000, 0.0011437900000000, 0.0000254500000000 ] - [ 0.0010474600000000, -0.0001171000000000, -0.0000129700000000 ] - [ -0.0008886300000000, -0.0045697700000000, 0.0005138800000000 ] - [ 0.0013970500000000, 0.0018626000000000, 0.0001438200000000 ] - [ 0.0010799200000000, -0.0004363900000000, -0.0000832700000000 ] - [ -0.0015279700000000, 0.0010969900000000, -0.0004545900000000 ] - [ 0.0009332200000000, -0.0007151300000000, 0.0001464800000000 ] - [ 0.0013405300000000, -0.0001374200000000, -0.0000048300000000 ] - [ 0.0015162200000000, 0.0011113200000000, 0.0022135900000000 ] - [ 0.0002863700000000, -0.0006962000000000, -0.0001646200000000 ] - [ 0.0019045900000000, -0.0001283900000000, -0.0002914500000000 ] - [ 0.0012562200000000, -0.0005624900000000, -0.0004838900000000 ] - [ 0.0022745600000000, 0.0013142700000000, -0.0009596000000000 ] - [ -0.0004458000000000, 0.0011942200000000, 0.0009497100000000 ] - [ 0.0016612300000000, 0.0000431000000000, 0.0000546700000000 ] - [ 0.0009183400000000, 0.0005699700000000, -0.0002577500000000 ] - [ 0.0016722400000000, -0.0007131300000000, -0.0001411600000000 ] - [ 0.0018538100000000, 0.0002478900000000, 0.0001559700000000 ] - [ 0.0101413700000000, -0.0048174400000000, 0.0002000000000000 ] - [ -0.0000523300000000, -0.0014827700000000, -0.0028517400000000 ] - [ 0.0002399100000000, 0.0007479400000000, -0.0002360700000000 ] - [ -0.0194864400000000, -0.0004065800000000, 0.0010837200000000 ] - [ 0.0024745500000000, -0.0013245000000000, 0.0004486800000000 ] - [ 0.0009068900000000, 0.0006298300000000, 0.0002226400000000 ] - [ 0.0005224900000000, -0.0008068500000000, 0.0001260700000000 ] - [ -0.0032472700000000, 0.0038474100000000, -0.0094914500000000 ] - [ -0.0005208700000000, 0.0018176000000000, -0.0005431500000000 ] - [ 0.0012411700000000, -0.0008915500000000, 0.0017827300000000 ] - [ 0.0027135200000000, 0.0002427300000000, 0.0001573000000000 ] - [ 0.0013569200000000, 0.0018670500000000, -0.0017469600000000 ] - [ 0.0043328000000000, 0.0049822300000000, -0.0013871400000000 ] - [ 0.0065832900000000, 0.0008319900000000, -0.0126753900000000 ] - [ 0.0016112000000000, -0.0006655900000000, -0.0005302600000000 ] - [ 0.0003517800000000, 0.0000478600000000, -0.0002021800000000 ] - [ -0.0000726300000000, 0.0002183300000000, 0.0000361800000000 ] - [ 0.0013461200000000, -0.0014535600000000, -0.0013171600000000 ] - [ 0.0003299500000000, -0.0001143700000000, -0.0001702200000000 ] - [ 0.0008138600000000, 0.0019756300000000, -0.0010352400000000 ] - [ -0.0008091600000000, -0.0004611800000000, -0.0006145700000000 ] - [ -0.0002552800000000, -0.0011077300000000, -0.0001665200000000 ] - [ 0.0000064800000000, 0.0003419800000000, -0.0001309000000000 ] - [ 0.0002378700000000, 0.0017153700000000, -0.0002112400000000 ] - [ 0.0001001900000000, -0.0012134200000000, 0.0001163500000000 ] - [ -0.0279353700000000, 0.0248048400000000, 0.0153746000000000 ] - [ 0.0009490500000000, -0.0016301900000000, -0.0008563600000000 ] - [ 0.0001667000000000, 0.0006918100000000, 0.0000313300000000 ] - [ -0.0000509600000000, -0.0008624800000000, 0.0001362100000000 ] - [ -0.0025382900000000, -0.0001578700000000, -0.0000864600000000 ] - [ -0.0054967900000000, 0.0003509200000000, 0.0015012000000000 ] - [ -0.0005826700000000, -0.0039620400000000, 0.0003114900000000 ] - [ -0.1229192800000000, 0.0320009400000000, -0.0392293300000000 ] - [ -0.0006064200000000, 0.0035355100000000, 0.0004567400000000 ] - [ -0.0000338400000000, 0.0006440700000000, 0.0006992700000000 ] - [ 0.0001699700000000, 0.0004742200000000, -0.0000717700000000 ] - [ 0.0038419600000000, -0.0006001600000000, -0.0009299500000000 ] - [ -0.0011657400000000, 0.0008125100000000, -0.0000613700000000 ] - [ 0.0095082600000000, 0.0092922800000000, -0.0000253500000000 ]- atom: 25 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0006464500000000, 0.0004902100000000, -0.0001367600000000 ] - [ -0.0005837500000000, 0.0008789300000000, 0.0001205800000000 ] - [ -0.0014948200000000, 0.0029745300000000, -0.0041747200000000 ] - [ 0.0004146000000000, 0.0007182800000000, 0.0001213300000000 ] - [ -0.0003636700000000, -0.0002408000000000, 0.0000408900000000 ] - [ -0.0009559400000000, -0.0004101800000000, 0.0005151900000000 ] - [ 0.0001424400000000, -0.0001102300000000, 0.0000943500000000 ] - [ 0.0007317300000000, 0.0005451200000000, 0.0004374600000000 ] - [ -0.0014949500000000, -0.0042706400000000, 0.0012734900000000 ] - [ -0.0000774300000000, -0.0001987800000000, 0.0002076400000000 ] - [ -0.0002099100000000, 0.0009171500000000, -0.0000015500000000 ] - [ -0.0029021900000000, -0.0044858800000000, -0.0021446100000000 ] - [ -0.0006210500000000, 0.0008184900000000, 0.0000033100000000 ] - [ -0.0009144900000000, -0.0001264100000000, 0.0000792300000000 ] - [ -0.0011830800000000, 0.0016660500000000, 0.0007428400000000 ] - [ -0.0003184500000000, 0.0009799900000000, 0.0002986400000000 ] - [ 0.0049732700000000, -0.0023850700000000, 0.0013088800000000 ] - [ -0.0009086200000000, -0.0000143300000000, 0.0002039000000000 ] - [ -0.0008505100000000, 0.0018183100000000, -0.0007748300000000 ] - [ 0.0048598700000000, 0.0016863100000000, -0.0027759600000000 ] - [ -0.0012072700000000, 0.0043149600000000, 0.0039980300000000 ] - [ 0.0002878300000000, -0.0000484100000000, -0.0000144400000000 ] - [ -0.0011341600000000, -0.0006804000000000, -0.0005868000000000 ] - [ 0.0002531300000000, 0.0007288300000000, 0.0000648100000000 ] - [ 0.1352459600000000, -0.2490888700000000, 0.0062254200000000 ] - [ 0.0003372900000000, -0.0007472100000000, 0.0053245000000000 ] - [ -0.0008625800000000, -0.0000818700000000, -0.0002462000000000 ] - [ -0.0077509000000000, 0.0008881600000000, -0.0011270200000000 ] - [ -0.0014634400000000, -0.0004431700000000, 0.0003610600000000 ] - [ -0.0000262700000000, 0.0004859100000000, -0.0001567400000000 ] - [ -0.0014061900000000, 0.0020183900000000, 0.0002222900000000 ] - [ -0.0013067600000000, 0.0014592500000000, 0.0002266500000000 ] - [ 0.0022314900000000, -0.0027632200000000, 0.0056670000000000 ] - [ 0.0031066800000000, -0.0009133700000000, 0.0007310000000000 ] - [ -0.0008868400000000, 0.0030223500000000, -0.0005003700000000 ] - [ 0.0009138800000000, 0.0007636900000000, -0.0001747400000000 ] - [ 0.0004429900000000, 0.0004775900000000, 0.0004561400000000 ] - [ -0.0018807600000000, 0.0030655300000000, 0.0001100900000000 ] - [ -0.0002441000000000, 0.0040730000000000, -0.0004100000000000 ] - [ -0.0016606200000000, -0.0042219600000000, 0.0006378200000000 ] - [ -0.0011177200000000, 0.0008081800000000, 0.0000472900000000 ] - [ -0.0012460800000000, -0.0006544200000000, -0.0003337000000000 ] - [ 0.0041730400000000, 0.0064830900000000, 0.0014971200000000 ] - [ -0.0026469500000000, 0.0037087300000000, 0.0009297800000000 ] - [ 0.0021745700000000, -0.0013319300000000, -0.0029954400000000 ] - [ 0.0022530500000000, 0.0004995100000000, 0.0000612600000000 ] - [ -0.0014720000000000, -0.0019725300000000, 0.0001754500000000 ] - [ 0.0011944700000000, 0.0007234600000000, -0.0004016800000000 ] - [ 0.0008490200000000, 0.0000825200000000, -0.0004944700000000 ] - [ -0.0245305500000000, 0.0307447200000000, 0.0102172700000000 ] - [ 0.0045937700000000, 0.0003732000000000, -0.0004423200000000 ] - [ -0.0004465800000000, -0.0003044600000000, 0.0003744000000000 ] - [ -0.0010309800000000, 0.0020956500000000, 0.0000272000000000 ] - [ -0.0014595500000000, 0.0031981000000000, -0.0003775900000000 ] - [ -0.0016443600000000, -0.0025763000000000, -0.0000037500000000 ] - [ 0.0009988200000000, 0.0018571500000000, -0.0008012500000000 ] - [ 0.0007506300000000, 0.0021317100000000, -0.0013005500000000 ] - [ -0.0002061000000000, 0.0019469300000000, 0.0003211500000000 ] - [ -0.0022697000000000, 0.0012353400000000, 0.0012122300000000 ] - [ 0.0098064600000000, 0.0141819700000000, -0.0068778400000000 ] - [ -0.0029916100000000, 0.0026354900000000, -0.0009617900000000 ] - [ 0.0011514300000000, 0.0025107200000000, 0.0009665000000000 ] - [ -0.0009189600000000, -0.0006337000000000, -0.0006421500000000 ] - [ -0.0017188700000000, -0.0008337600000000, -0.0007010700000000 ] - [ 0.0040375100000000, -0.0082332700000000, -0.0043835800000000 ] - [ -0.0025982600000000, 0.0004827200000000, 0.0000975400000000 ] - [ 0.0009060400000000, -0.0009486800000000, -0.0001926000000000 ] - [ 0.0013064400000000, 0.0016234500000000, 0.0003627100000000 ] - [ -0.0296898600000000, -0.0077453900000000, 0.0068797700000000 ] - [ -0.0029005100000000, -0.0003326800000000, -0.0019349600000000 ] - [ 0.0001040600000000, -0.0033737600000000, 0.0011855100000000 ] - [ -0.0007835100000000, 0.0031265200000000, 0.0002158000000000 ] - [ 0.0010205400000000, -0.0000276400000000, 0.0002951500000000 ] - [ 0.0033132700000000, -0.0022702500000000, 0.0003046700000000 ] - [ -0.0007787000000000, -0.0013420100000000, -0.0003614900000000 ] - [ 0.0001219300000000, -0.0014041900000000, 0.0000210400000000 ] - [ 0.0014606900000000, -0.0024774700000000, -0.0003924300000000 ] - [ -0.0001663400000000, -0.0000868700000000, -0.0001400000000000 ] - [ -0.0003607100000000, 0.0014226800000000, -0.0004272400000000 ] - [ -0.0019605300000000, 0.0011173000000000, 0.0005598700000000 ] - [ -0.0042524800000000, -0.0014865800000000, -0.0003926600000000 ] - [ 0.0004084000000000, -0.0013373800000000, 0.0004277200000000 ] - [ -0.0013413700000000, 0.0027384400000000, -0.0014370800000000 ] - [ -0.0004277200000000, -0.0000959200000000, -0.0001882600000000 ] - [ 0.0003505000000000, -0.0008575200000000, 0.0001247100000000 ] - [ -0.0000044400000000, -0.0007736200000000, -0.0002942600000000 ] - [ -0.0002351600000000, -0.0004822500000000, -0.0001421400000000 ] - [ 0.0005745600000000, 0.0003595600000000, 0.0000138800000000 ] - [ -0.0002509900000000, -0.0013254100000000, 0.0007949200000000 ] - [ 0.0005408200000000, 0.0011377900000000, -0.0002962200000000 ] - [ 0.0000315200000000, -0.0015685800000000, 0.0001914500000000 ] - [ 0.0011342100000000, -0.0007320400000000, 0.0001062600000000 ] - [ 0.0013550000000000, 0.0003878600000000, 0.0000331900000000 ] - [ 0.0009801700000000, -0.0009725900000000, -0.0002073300000000 ] - [ 0.0006436700000000, 0.0002167100000000, 0.0009969400000000 ] - [ 0.0004884500000000, -0.0011892400000000, -0.0002360800000000 ] - [ 0.0014076600000000, 0.0011182100000000, 0.0000410800000000 ] - [ 0.0000976100000000, -0.0005338700000000, -0.0000880900000000 ] - [ 0.0130022900000000, -0.0032659700000000, 0.0014011300000000 ] - [ 0.0001310900000000, -0.0031551300000000, -0.0000840500000000 ] - [ 0.0013492900000000, -0.0005440600000000, 0.0002309600000000 ] - [ -0.0003497100000000, -0.0000215600000000, 0.0000703100000000 ] - [ 0.0003082600000000, -0.0016101200000000, -0.0000673600000000 ] - [ 0.0002537100000000, -0.0011941400000000, 0.0000382600000000 ] - [ -0.0007689200000000, -0.0002123400000000, -0.0000013800000000 ] - [ 0.0019954900000000, -0.0008277600000000, 0.0001125100000000 ] - [ 0.0155102200000000, 0.0475791600000000, -0.0053602300000000 ] - [ -0.0016276600000000, -0.0044642400000000, 0.0009904000000000 ] - [ -0.0000805900000000, -0.0020188000000000, -0.0001232700000000 ] - [ -0.0006286300000000, 0.0062925800000000, 0.0010627500000000 ] - [ -0.0011550200000000, -0.0008198300000000, -0.0000022900000000 ] - [ -0.0002153900000000, -0.0001702900000000, -0.0000099300000000 ] - [ -0.0003880900000000, -0.0009627900000000, 0.0001529300000000 ] - [ 0.0010584700000000, -0.0107325900000000, 0.0005581200000000 ] - [ -0.0011922700000000, 0.0000557700000000, 0.0000092900000000 ] - [ 0.0002787300000000, 0.0000180100000000, 0.0000369200000000 ] - [ -0.0006673700000000, -0.0007449000000000, 0.0004749800000000 ] - [ 0.0006315600000000, -0.0008435000000000, 0.0001207700000000 ] - [ 0.0015863600000000, 0.0020389000000000, 0.0004113100000000 ] - [ -0.0009658400000000, 0.0004468900000000, 0.0000057100000000 ] - [ 0.0011992200000000, -0.0014613500000000, -0.0000344600000000 ] - [ 0.0025348600000000, 0.0021505200000000, -0.0005665700000000 ] - [ 0.0007059600000000, -0.0005923100000000, -0.0003911100000000 ] - [ 0.0008499100000000, 0.0010309100000000, -0.0005547100000000 ] - [ -0.0014711300000000, -0.0000841200000000, 0.0006081800000000 ] - [ 0.0011467600000000, 0.0001573100000000, 0.0000226200000000 ] - [ 0.0002824300000000, -0.0001604500000000, -0.0001330700000000 ] - [ 0.0008620000000000, -0.0002390800000000, -0.0000943700000000 ] - [ 0.0008863300000000, 0.0007647800000000, 0.0002171400000000 ] - [ 0.0074894600000000, -0.0023009800000000, -0.0003354900000000 ] - [ 0.0052491800000000, -0.0045885700000000, -0.0086835100000000 ] - [ -0.0003646100000000, -0.0002791000000000, -0.0001675500000000 ] - [ -0.0099242300000000, 0.0250866100000000, -0.0270417100000000 ] - [ 0.0021136300000000, -0.0008483500000000, 0.0003806800000000 ] - [ 0.0005451400000000, 0.0001046400000000, 0.0000966000000000 ] - [ 0.0009034400000000, -0.0009862100000000, 0.0002606400000000 ] - [ -0.0022177500000000, -0.0011826700000000, 0.0050410500000000 ] - [ -0.0018566500000000, 0.0013058500000000, -0.0001943000000000 ] - [ 0.0020870600000000, 0.0001732900000000, 0.0022649700000000 ] - [ 0.0010094000000000, 0.0009491400000000, 0.0002052600000000 ] - [ 0.0002535200000000, 0.0015724900000000, -0.0012246600000000 ] - [ -0.0042553900000000, -0.0022742900000000, 0.0001344500000000 ] - [ 0.0042665300000000, 0.0028300200000000, -0.0098941900000000 ] - [ 0.0013064800000000, -0.0002359800000000, -0.0005038700000000 ] - [ 0.0003605200000000, -0.0004970500000000, -0.0002412600000000 ] - [ -0.0002200600000000, -0.0014842900000000, 0.0003689100000000 ] - [ 0.0012280400000000, -0.0004837300000000, -0.0009710700000000 ] - [ -0.0000835300000000, -0.0011623900000000, -0.0004259800000000 ] - [ -0.0000270200000000, 0.0021593600000000, -0.0008131300000000 ] - [ -0.0009858400000000, -0.0019347700000000, -0.0016464300000000 ] - [ 0.0002750500000000, -0.0016109000000000, -0.0003116500000000 ] - [ 0.0003594300000000, -0.0011845800000000, -0.0002772200000000 ] - [ -0.0005183700000000, -0.0017842900000000, 0.0000629000000000 ] - [ 0.0010489500000000, -0.0019950200000000, 0.0003881100000000 ] - [ -0.0351353800000000, 0.1060736200000000, 0.0558260800000000 ] - [ 0.0008847100000000, 0.0002161000000000, -0.0003292300000000 ] - [ -0.0008903400000000, -0.0005056400000000, 0.0000984300000000 ] - [ 0.0022384900000000, 0.0000112100000000, -0.0006720800000000 ] - [ 0.0003803200000000, -0.0013679000000000, -0.0000033900000000 ] - [ -0.0048363600000000, 0.0025251500000000, 0.0025029100000000 ] - [ 0.0010003400000000, -0.0027131900000000, 0.0002479300000000 ] - [ -0.0885361600000000, 0.0431433500000000, -0.0308657800000000 ] - [ -0.0017813800000000, 0.0024913900000000, 0.0004388000000000 ] - [ -0.0003713200000000, -0.0005642500000000, 0.0009450900000000 ] - [ -0.0008538100000000, -0.0013665600000000, -0.0005857700000000 ] - [ -0.0000875300000000, 0.0017877300000000, -0.0001890200000000 ] - [ -0.0018348000000000, -0.0002597300000000, -0.0001481100000000 ] - [ 0.0060619900000000, 0.0101673200000000, -0.0001205400000000 ]- atom: 25 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0006986400000000, -0.0004610800000000, 0.0003631800000000 ] - [ 0.0005811500000000, -0.0008798800000000, 0.0000004300000000 ] - [ 0.0016000700000000, -0.0028240900000000, 0.0046084500000000 ] - [ -0.0005313900000000, -0.0008697100000000, 0.0003369700000000 ] - [ 0.0000649100000000, 0.0000424700000000, -0.0000070400000000 ] - [ 0.0011464500000000, 0.0003865300000000, -0.0000566700000000 ] - [ -0.0001408200000000, 0.0001118200000000, 0.0000171400000000 ] - [ -0.0006755000000000, -0.0005795300000000, -0.0002117900000000 ] - [ 0.0014833700000000, 0.0042828600000000, -0.0011645100000000 ] - [ 0.0001506900000000, 0.0000251100000000, 0.0002524000000000 ] - [ 0.0005079300000000, -0.0007175300000000, 0.0000348100000000 ] - [ 0.0028956400000000, 0.0045167200000000, 0.0022152300000000 ] - [ 0.0006197900000000, -0.0008180600000000, 0.0001174900000000 ] - [ 0.0008624800000000, 0.0000991600000000, 0.0001465200000000 ] - [ 0.0009910800000000, -0.0016442300000000, -0.0002865400000000 ] - [ 0.0002446400000000, -0.0008034600000000, 0.0001615700000000 ] - [ -0.0049650300000000, 0.0023411200000000, -0.0010733500000000 ] - [ 0.0009637100000000, 0.0000435000000000, 0.0000206600000000 ] - [ 0.0008258400000000, -0.0014638700000000, 0.0008127500000000 ] - [ -0.0048810000000000, -0.0016196800000000, 0.0030121400000000 ] - [ 0.0015131800000000, -0.0044318100000000, -0.0039206000000000 ] - [ -0.0002874300000000, 0.0000484900000000, 0.0000729300000000 ] - [ 0.0011608300000000, 0.0003213700000000, 0.0006224500000000 ] - [ -0.0005768900000000, -0.0005694300000000, -0.0000292000000000 ] - [ -0.1327046400000000, 0.2528098200000000, -0.0002501900000000 ] - [ -0.0006200000000000, 0.0011103700000000, -0.0053654300000000 ] - [ 0.0021545800000000, -0.0010316500000000, 0.0001372000000000 ] - [ 0.0089829300000000, -0.0003683300000000, 0.0006398400000000 ] - [ 0.0014435700000000, 0.0004844800000000, 0.0004412600000000 ] - [ -0.0003023800000000, -0.0021497500000000, 0.0000480800000000 ] - [ -0.0002072000000000, -0.0025716600000000, -0.0003263800000000 ] - [ 0.0013277800000000, -0.0014990000000000, 0.0005784300000000 ] - [ -0.0022585800000000, 0.0027565200000000, -0.0048432200000000 ] - [ -0.0041720200000000, 0.0016810200000000, -0.0012331900000000 ] - [ 0.0012095200000000, -0.0013574900000000, 0.0003920400000000 ] - [ -0.0013372800000000, -0.0008367400000000, 0.0001316800000000 ] - [ -0.0004300700000000, -0.0004368900000000, 0.0003430800000000 ] - [ 0.0005850200000000, -0.0019510600000000, -0.0002184900000000 ] - [ 0.0002299600000000, -0.0041014700000000, 0.0012022600000000 ] - [ 0.0019393000000000, 0.0038778700000000, -0.0006863500000000 ] - [ 0.0012867000000000, -0.0003920100000000, -0.0000849900000000 ] - [ 0.0000706400000000, 0.0001324400000000, -0.0001645300000000 ] - [ -0.0041381300000000, -0.0064928500000000, -0.0007024200000000 ] - [ 0.0042478700000000, -0.0031685100000000, -0.0010381300000000 ] - [ -0.0017493000000000, 0.0013939300000000, 0.0029564800000000 ] - [ -0.0021033800000000, 0.0007854700000000, -0.0005607200000000 ] - [ 0.0013041900000000, 0.0015604400000000, -0.0002142900000000 ] - [ -0.0001451700000000, -0.0014917700000000, -0.0000963800000000 ] - [ -0.0005859600000000, -0.0011208700000000, -0.0006415600000000 ] - [ 0.0261892400000000, -0.0306191900000000, -0.0098060900000000 ] - [ -0.0048014400000000, 0.0002611500000000, -0.0008357900000000 ] - [ 0.0016060200000000, -0.0009364400000000, 0.0002959000000000 ] - [ 0.0017004300000000, -0.0026359100000000, 0.0003356000000000 ] - [ 0.0013152100000000, -0.0040219300000000, 0.0007250200000000 ] - [ 0.0004839500000000, 0.0038336600000000, 0.0006736200000000 ] - [ -0.0002838200000000, -0.0019840100000000, -0.0004669700000000 ] - [ -0.0010044100000000, -0.0011006300000000, 0.0001636700000000 ] - [ 0.0003447400000000, -0.0011172900000000, 0.0000313700000000 ] - [ 0.0014973400000000, -0.0015471500000000, -0.0008597600000000 ] - [ -0.0101887500000000, -0.0158557100000000, 0.0075194800000000 ] - [ 0.0019447400000000, -0.0023557400000000, -0.0001729400000000 ] - [ -0.0018998400000000, -0.0032706400000000, -0.0021033300000000 ] - [ 0.0019712800000000, 0.0003490500000000, -0.0004956300000000 ] - [ 0.0012990800000000, 0.0002764900000000, -0.0005705700000000 ] - [ -0.0038299200000000, 0.0075775900000000, 0.0030780900000000 ] - [ 0.0019245000000000, 0.0000579100000000, 0.0002647300000000 ] - [ -0.0016219000000000, 0.0010772100000000, -0.0010770600000000 ] - [ -0.0007986900000000, -0.0000064600000000, 0.0003093300000000 ] - [ 0.0303595300000000, 0.0084645800000000, -0.0081021800000000 ] - [ 0.0033204700000000, 0.0008953000000000, 0.0006749300000000 ] - [ -0.0017565300000000, 0.0030080400000000, -0.0005107700000000 ] - [ 0.0015503500000000, -0.0028210400000000, 0.0001330200000000 ] - [ -0.0004072700000000, 0.0003317300000000, -0.0001212500000000 ] - [ -0.0026045600000000, 0.0026355100000000, -0.0000491400000000 ] - [ 0.0016435700000000, 0.0016008200000000, 0.0006158000000000 ] - [ -0.0009085300000000, 0.0018535100000000, 0.0000486200000000 ] - [ -0.0013000400000000, 0.0023220000000000, 0.0003488900000000 ] - [ 0.0003543700000000, 0.0003695200000000, 0.0000201100000000 ] - [ 0.0004289000000000, -0.0009373600000000, 0.0000910300000000 ] - [ 0.0008675800000000, -0.0011614600000000, -0.0005553800000000 ] - [ 0.0035447700000000, 0.0017402600000000, 0.0003514400000000 ] - [ -0.0009775000000000, 0.0017161500000000, -0.0002548200000000 ] - [ 0.0019876800000000, -0.0037294100000000, 0.0014866000000000 ] - [ -0.0009658600000000, 0.0009936300000000, -0.0005205400000000 ] - [ 0.0002213000000000, 0.0004790600000000, 0.0000468500000000 ] - [ -0.0000198000000000, 0.0016774000000000, 0.0003589500000000 ] - [ 0.0013280600000000, 0.0005292500000000, 0.0001473300000000 ] - [ -0.0007293500000000, -0.0000560600000000, -0.0001354200000000 ] - [ 0.0000612600000000, 0.0010440200000000, -0.0009120600000000 ] - [ -0.0004527200000000, -0.0007650200000000, -0.0001365300000000 ] - [ 0.0000257700000000, 0.0017789800000000, -0.0002338600000000 ] - [ -0.0009133000000000, 0.0002302000000000, -0.0000076400000000 ] - [ -0.0008133200000000, -0.0002029800000000, -0.0001618700000000 ] - [ -0.0007632100000000, 0.0010253100000000, 0.0001620300000000 ] - [ -0.0004940000000000, -0.0001960100000000, 0.0006162900000000 ] - [ -0.0005408700000000, 0.0009802700000000, 0.0001942200000000 ] - [ -0.0017943900000000, -0.0008239400000000, -0.0003722500000000 ] - [ 0.0003392100000000, 0.0001512600000000, -0.0000383600000000 ] - [ -0.0145524000000000, 0.0025595300000000, -0.0020844900000000 ] - [ -0.0002422700000000, 0.0025936700000000, -0.0000477800000000 ] - [ -0.0014642700000000, 0.0012636600000000, -0.0002653700000000 ] - [ 0.0005559800000000, 0.0009000000000000, 0.0001885900000000 ] - [ -0.0003489400000000, 0.0009274900000000, 0.0002385400000000 ] - [ -0.0008645600000000, 0.0008898100000000, 0.0001351600000000 ] - [ 0.0002020100000000, -0.0002729800000000, -0.0000381400000000 ] - [ -0.0013403700000000, 0.0002152700000000, 0.0001417000000000 ] - [ -0.0150633800000000, -0.0461215900000000, 0.0046273400000000 ] - [ 0.0012773900000000, 0.0040107400000000, -0.0008790200000000 ] - [ -0.0007055900000000, 0.0015616700000000, 0.0001958600000000 ] - [ 0.0001692100000000, -0.0064493200000000, -0.0013944600000000 ] - [ 0.0016089100000000, 0.0010087900000000, -0.0003339700000000 ] - [ 0.0005298200000000, 0.0006249300000000, 0.0001053500000000 ] - [ 0.0004116900000000, 0.0000563700000000, -0.0000837700000000 ] - [ -0.0004876300000000, 0.0106924400000000, -0.0004274900000000 ] - [ 0.0005325500000000, 0.0003782700000000, 0.0002409000000000 ] - [ -0.0009988700000000, -0.0003721400000000, 0.0002171800000000 ] - [ 0.0004563800000000, -0.0001220200000000, -0.0002202800000000 ] - [ -0.0007877200000000, 0.0009962900000000, -0.0001631000000000 ] - [ -0.0010552200000000, -0.0010577600000000, -0.0004049600000000 ] - [ 0.0010715200000000, -0.0005714300000000, 0.0016180200000000 ] - [ -0.0008516100000000, 0.0013948800000000, -0.0002287600000000 ] - [ -0.0026163200000000, -0.0022747600000000, 0.0005859000000000 ] - [ -0.0007976500000000, 0.0008887300000000, 0.0001095400000000 ] - [ 0.0006157100000000, -0.0002804500000000, -0.0001509300000000 ] - [ 0.0014110400000000, -0.0000630900000000, 0.0010040500000000 ] - [ -0.0003582100000000, -0.0006046300000000, 0.0000474300000000 ] - [ -0.0008125600000000, -0.0008282700000000, 0.0001423300000000 ] - [ -0.0007463500000000, -0.0004818900000000, 0.0000615900000000 ] - [ -0.0015454400000000, -0.0001544300000000, 0.0000371300000000 ] - [ -0.0067396800000000, 0.0027861400000000, 0.0004241500000000 ] - [ -0.0049128000000000, 0.0043148500000000, 0.0082464400000000 ] - [ 0.0007328800000000, 0.0003949100000000, -0.0002652000000000 ] - [ 0.0098399600000000, -0.0246507600000000, 0.0282649300000000 ] - [ -0.0023286800000000, 0.0007983000000000, -0.0004244700000000 ] - [ -0.0004765600000000, 0.0000080800000000, -0.0000812300000000 ] - [ -0.0007498900000000, 0.0006831000000000, -0.0003864200000000 ] - [ 0.0018325900000000, 0.0010908200000000, -0.0054948900000000 ] - [ 0.0019295700000000, -0.0014353600000000, 0.0002096200000000 ] - [ -0.0022436600000000, -0.0001963900000000, -0.0006647900000000 ] - [ -0.0012323800000000, -0.0004505100000000, -0.0001071800000000 ] - [ -0.0005429900000000, -0.0013092500000000, 0.0007892300000000 ] - [ 0.0044135300000000, 0.0023122100000000, -0.0001280200000000 ] - [ -0.0045931500000000, -0.0027903900000000, 0.0097551200000000 ] - [ -0.0016505400000000, 0.0003046700000000, 0.0002388400000000 ] - [ -0.0004486900000000, 0.0001201700000000, -0.0001951000000000 ] - [ 0.0008833900000000, 0.0010511800000000, -0.0001176900000000 ] - [ -0.0011835200000000, 0.0011699500000000, 0.0011431200000000 ] - [ 0.0003005600000000, 0.0014149000000000, 0.0001580300000000 ] - [ -0.0005277900000000, -0.0021089900000000, 0.0009053800000000 ] - [ 0.0013279900000000, 0.0019153200000000, 0.0015262000000000 ] - [ -0.0008165200000000, 0.0014277600000000, 0.0001838900000000 ] - [ -0.0004267100000000, 0.0006973100000000, -0.0000589300000000 ] - [ 0.0010837700000000, 0.0022681900000000, -0.0001032200000000 ] - [ -0.0009540500000000, 0.0016976000000000, -0.0006689000000000 ] - [ 0.0363649900000000, -0.1116260700000000, -0.0599076600000000 ] - [ -0.0007733700000000, 0.0003553100000000, 0.0001933100000000 ] - [ 0.0007527200000000, 0.0005100200000000, -0.0000814900000000 ] - [ -0.0018535300000000, -0.0003115300000000, 0.0003306500000000 ] - [ -0.0008140300000000, 0.0017481000000000, -0.0001210200000000 ] - [ 0.0055224300000000, -0.0027655900000000, -0.0025260700000000 ] - [ -0.0012065500000000, 0.0024597100000000, -0.0005136700000000 ] - [ 0.0843569800000000, -0.0432799500000000, 0.0294118300000000 ] - [ 0.0011543900000000, -0.0015182700000000, -0.0004110600000000 ] - [ 0.0002682600000000, 0.0006911900000000, 0.0006749400000000 ] - [ 0.0007646000000000, -0.0002843400000000, -0.0001214900000000 ] - [ 0.0014836600000000, -0.0026961900000000, -0.0005189600000000 ] - [ 0.0018615900000000, 0.0010567800000000, 0.0004009300000000 ] - [ -0.0069239900000000, -0.0104353700000000, 0.0003845200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000855800000000, -0.0000551700000000, 0.0003309500000000 ] - [ -0.0000309000000000, 0.0000812900000000, -0.0000282500000000 ] - [ 0.0017487300000000, -0.0022007900000000, 0.0034015900000000 ] - [ 0.0000295200000000, -0.0001340400000000, 0.0000691000000000 ] - [ -0.0000853000000000, -0.0000722800000000, -0.0000635200000000 ] - [ -0.0000655800000000, 0.0000306700000000, 0.0000304700000000 ] - [ -0.0000516200000000, -0.0000556600000000, -0.0000328100000000 ] - [ 0.0000675000000000, 0.0000919500000000, -0.0001655100000000 ] - [ -0.0030657300000000, -0.0006206200000000, 0.0029708800000000 ] - [ 0.0000621600000000, -0.0000836100000000, 0.0003003100000000 ] - [ 0.0001018900000000, 0.0001251300000000, 0.0000837000000000 ] - [ 0.0069812900000000, 0.0008464600000000, -0.0002548600000000 ] - [ -0.0000116200000000, 0.0000622400000000, 0.0001457700000000 ] - [ -0.0000360300000000, -0.0000504900000000, 0.0000325300000000 ] - [ -0.0003782900000000, 0.0003099200000000, 0.0005900200000000 ] - [ -0.0000840800000000, 0.0001705000000000, 0.0001377600000000 ] - [ 0.0032451500000000, 0.0027444000000000, 0.0048901100000000 ] - [ -0.0000422100000000, -0.0000056100000000, 0.0002266700000000 ] - [ 0.0000018000000000, 0.0000402900000000, -0.0006178300000000 ] - [ -0.0025869200000000, -0.0052838000000000, -0.0012702500000000 ] - [ -0.0016404200000000, 0.0032695800000000, -0.0011122900000000 ] - [ 0.0000283200000000, -0.0000062200000000, 0.0001175400000000 ] - [ 0.0001224500000000, -0.0001569600000000, 0.0004587700000000 ] - [ -0.0000926600000000, 0.0001402800000000, 0.0001136000000000 ] - [ -0.0084484500000000, 0.0009251200000000, -0.2825379300000000 ] - [ 0.0028859500000000, -0.0051096000000000, 0.0068095200000000 ] - [ 0.0004648100000000, -0.0004594700000000, 0.0000556400000000 ] - [ -0.0012183800000000, 0.0001668600000000, -0.0012675200000000 ] - [ -0.0000341100000000, 0.0000216200000000, 0.0004656700000000 ] - [ -0.0000570500000000, -0.0006975700000000, -0.0001578800000000 ] - [ -0.0006996800000000, -0.0002733900000000, 0.0002619100000000 ] - [ -0.0000199500000000, -0.0002162000000000, 0.0002817300000000 ] - [ -0.0069163400000000, 0.0012206600000000, 0.0012486400000000 ] - [ -0.0014111300000000, 0.0003569800000000, -0.0012692900000000 ] - [ -0.0000829600000000, 0.0010809300000000, 0.0005237600000000 ] - [ -0.0001316100000000, 0.0000437600000000, -0.0001766200000000 ] - [ 0.0001969400000000, 0.0001974500000000, 0.0003220700000000 ] - [ -0.0008123000000000, 0.0007010000000000, -0.0001776900000000 ] - [ 0.0001915700000000, -0.0008884000000000, 0.0006760800000000 ] - [ 0.0008698300000000, 0.0004620500000000, -0.0011644500000000 ] - [ -0.0000376300000000, 0.0002335700000000, -0.0000959200000000 ] - [ -0.0008536300000000, -0.0002836500000000, -0.0001144600000000 ] - [ 0.0019909500000000, 0.0025653700000000, 0.0010236200000000 ] - [ 0.0012549300000000, -0.0006501800000000, -0.0012433900000000 ] - [ 0.0036980900000000, 0.0041211500000000, 0.0067815100000000 ] - [ 0.0000371900000000, 0.0002578700000000, 0.0007620400000000 ] - [ 0.0002519800000000, -0.0002585500000000, 0.0005250200000000 ] - [ 0.0006067000000000, -0.0002421200000000, -0.0001139000000000 ] - [ 0.0001667000000000, -0.0005206700000000, -0.0007525100000000 ] - [ -0.0148762300000000, 0.0143032100000000, 0.0025157400000000 ] - [ 0.0004132300000000, 0.0006333500000000, -0.0007199600000000 ] - [ 0.0004718100000000, -0.0006542500000000, 0.0002741300000000 ] - [ 0.0002516300000000, -0.0000986100000000, 0.0000749400000000 ] - [ -0.0000583800000000, -0.0005283900000000, 0.0001602600000000 ] - [ -0.0007899200000000, 0.0001017000000000, 0.0003267400000000 ] - [ 0.0002749600000000, -0.0001480900000000, -0.0005116000000000 ] - [ -0.0005413900000000, 0.0014755600000000, 0.0004494000000000 ] - [ 0.0001124000000000, 0.0005571900000000, 0.0001183200000000 ] - [ -0.0014943700000000, 0.0006548100000000, -0.0000750600000000 ] - [ -0.0048522200000000, -0.0105215900000000, 0.0033757900000000 ] - [ -0.0009506600000000, 0.0004288100000000, -0.0008856400000000 ] - [ -0.0004871800000000, -0.0021556400000000, 0.0014132600000000 ] - [ 0.0005449200000000, -0.0001182900000000, -0.0004109000000000 ] - [ -0.0000401500000000, -0.0002181400000000, -0.0005692000000000 ] - [ -0.0001328900000000, 0.0058747200000000, 0.0481694300000000 ] - [ -0.0001294600000000, 0.0003066100000000, 0.0002772400000000 ] - [ 0.0007122100000000, 0.0008410600000000, -0.0010402400000000 ] - [ 0.0002850800000000, 0.0007457100000000, 0.0002343900000000 ] - [ 0.0073910300000000, 0.0032993000000000, -0.0119437500000000 ] - [ 0.0016473900000000, -0.0000005700000000, -0.0007858700000000 ] - [ -0.0019181500000000, -0.0008299300000000, 0.0000668900000000 ] - [ 0.0001297500000000, 0.0007482600000000, 0.0003214800000000 ] - [ 0.0002998000000000, 0.0001259200000000, -0.0000512100000000 ] - [ 0.0010140000000000, -0.0002329900000000, 0.0002484900000000 ] - [ 0.0002617600000000, 0.0027450800000000, -0.0018861500000000 ] - [ -0.0002782000000000, 0.0000954900000000, 0.0000830500000000 ] - [ 0.0000925400000000, -0.0001106400000000, -0.0000300400000000 ] - [ 0.0000286800000000, 0.0000853200000000, 0.0001023000000000 ] - [ -0.0004036900000000, 0.0001951400000000, -0.0002632900000000 ] - [ -0.0020687300000000, -0.0008295200000000, -0.0010215200000000 ] - [ -0.0012780400000000, -0.0001612800000000, 0.0007766800000000 ] - [ -0.0003617900000000, 0.0004002400000000, -0.0001610100000000 ] - [ -0.0052521900000000, 0.0036576000000000, -0.0132862300000000 ] - [ -0.0006650100000000, 0.0004057300000000, -0.0003561000000000 ] - [ 0.0002509900000000, -0.0002394300000000, 0.0001722100000000 ] - [ 0.0002192300000000, -0.0000546400000000, -0.0004209500000000 ] - [ 0.0005524700000000, 0.0000374700000000, 0.0000290800000000 ] - [ -0.0000738800000000, 0.0001487400000000, -0.0001927000000000 ] - [ -0.0000695400000000, -0.0000006700000000, -0.0008658200000000 ] - [ 0.0001708700000000, 0.0002965400000000, -0.0004902000000000 ] - [ 0.0000061900000000, -0.0001570100000000, 0.0000048000000000 ] - [ 0.0001730000000000, -0.0002249300000000, 0.0000656500000000 ] - [ 0.0002054500000000, 0.0000652600000000, -0.0000431700000000 ] - [ 0.0001212200000000, -0.0000166000000000, -0.0000413800000000 ] - [ 0.0000831800000000, 0.0000038200000000, 0.0006526000000000 ] - [ 0.0001573900000000, -0.0004933700000000, -0.0001081500000000 ] - [ -0.0006160200000000, 0.0000127000000000, -0.0001724900000000 ] - [ 0.0001105200000000, -0.0002553600000000, -0.0000487800000000 ] - [ 0.0060095300000000, -0.0008901800000000, 0.0031378800000000 ] - [ -0.0002288000000000, -0.0010980000000000, -0.0000836400000000 ] - [ -0.0004242400000000, 0.0006261800000000, -0.0001041700000000 ] - [ 0.0000956600000000, 0.0004210400000000, 0.0001716700000000 ] - [ -0.0000046300000000, -0.0005105100000000, -0.0001556300000000 ] - [ -0.0002414000000000, -0.0002231000000000, 0.0002001400000000 ] - [ -0.0005967700000000, -0.0006469700000000, -0.0000307500000000 ] - [ 0.0005721900000000, -0.0003426200000000, 0.0001531900000000 ] - [ -0.0108342800000000, -0.0106883600000000, 0.0205164100000000 ] - [ -0.0008935000000000, 0.0020024000000000, 0.0004601700000000 ] - [ -0.0006076800000000, 0.0003319700000000, -0.0001773200000000 ] - [ -0.0034166200000000, -0.0110013800000000, -0.0107529100000000 ] - [ 0.0000583900000000, -0.0001147800000000, -0.0001456700000000 ] - [ 0.0001144900000000, 0.0001978700000000, 0.0000479400000000 ] - [ -0.0000519000000000, -0.0004881200000000, 0.0000631700000000 ] - [ 0.0018597900000000, -0.0073165000000000, 0.0014385000000000 ] - [ -0.0002009500000000, 0.0002513200000000, 0.0002434000000000 ] - [ -0.0002782400000000, -0.0001958800000000, 0.0000801700000000 ] - [ -0.0003225700000000, -0.0021608400000000, -0.0007896000000000 ] - [ -0.0000261600000000, -0.0000257400000000, -0.0000058300000000 ] - [ -0.0002228500000000, 0.0005830500000000, -0.0004776500000000 ] - [ -0.0001470400000000, -0.0004366500000000, 0.0015155600000000 ] - [ 0.0003320400000000, -0.0002461100000000, -0.0000636700000000 ] - [ 0.0005522500000000, 0.0002980900000000, -0.0000024400000000 ] - [ -0.0001083000000000, 0.0001078800000000, -0.0001156400000000 ] - [ 0.0011889500000000, 0.0005457600000000, -0.0004758200000000 ] - [ -0.0003384700000000, -0.0004720600000000, 0.0004106500000000 ] - [ 0.0004221200000000, -0.0002348000000000, -0.0000034600000000 ] - [ -0.0002654100000000, -0.0005240700000000, 0.0000379300000000 ] - [ 0.0000266100000000, -0.0003488300000000, 0.0000011700000000 ] - [ -0.0004588100000000, 0.0003283900000000, 0.0000662300000000 ] - [ -0.0032700600000000, 0.0011266500000000, 0.0009704800000000 ] - [ 0.0023145500000000, -0.0017737300000000, -0.0061892000000000 ] - [ 0.0001669700000000, 0.0000691700000000, -0.0000946600000000 ] - [ -0.0007923500000000, -0.0327717600000000, 0.1452052600000000 ] - [ -0.0003615500000000, 0.0001591900000000, 0.0000169000000000 ] - [ 0.0001194600000000, 0.0001149700000000, 0.0000237500000000 ] - [ 0.0001553600000000, -0.0001470700000000, 0.0001943300000000 ] - [ 0.0011705100000000, 0.0018574000000000, -0.0041230200000000 ] - [ 0.0006681900000000, 0.0004416600000000, -0.0005638400000000 ] - [ -0.0001188200000000, 0.0003521400000000, 0.0017199700000000 ] - [ -0.0000097500000000, 0.0003541700000000, 0.0000853700000000 ] - [ 0.0000581900000000, 0.0002660700000000, 0.0005603200000000 ] - [ 0.0013603900000000, 0.0007505600000000, -0.0005304600000000 ] - [ 0.0028014200000000, -0.0014942500000000, 0.0076795200000000 ] - [ 0.0002976000000000, -0.0000839000000000, -0.0002810600000000 ] - [ 0.0000015000000000, -0.0002012900000000, -0.0001427900000000 ] - [ 0.0003410800000000, -0.0006027000000000, 0.0000360400000000 ] - [ 0.0003119300000000, 0.0001295300000000, 0.0007394200000000 ] - [ 0.0000586300000000, 0.0000764800000000, -0.0002035900000000 ] - [ 0.0010853500000000, 0.0006862100000000, -0.0001842200000000 ] - [ -0.0000847500000000, -0.0003143700000000, -0.0017571000000000 ] - [ -0.0002078500000000, -0.0001114900000000, -0.0001040800000000 ] - [ -0.0000008300000000, -0.0002320600000000, -0.0001891900000000 ] - [ 0.0003668000000000, 0.0005058400000000, -0.0000205400000000 ] - [ 0.0001665200000000, -0.0003234000000000, -0.0001765400000000 ] - [ -0.0146680200000000, 0.0564070600000000, 0.0529502000000000 ] - [ 0.0015050100000000, -0.0010528600000000, -0.0005356000000000 ] - [ -0.0001125800000000, -0.0000387900000000, 0.0000184100000000 ] - [ -0.0013179500000000, 0.0009179600000000, -0.0008565000000000 ] - [ -0.0002897800000000, 0.0003196900000000, 0.0000223300000000 ] - [ 0.0084802500000000, -0.0004772100000000, -0.0111551900000000 ] - [ -0.0000493100000000, 0.0001824600000000, 0.0002944500000000 ] - [ 0.0369786000000000, -0.0126262000000000, 0.0346217500000000 ] - [ -0.0005019100000000, 0.0003035300000000, 0.0003176200000000 ] - [ -0.0000449300000000, 0.0000608100000000, 0.0006718100000000 ] - [ 0.0000013300000000, -0.0006876500000000, -0.0004526300000000 ] - [ 0.0008035700000000, -0.0004455800000000, 0.0002105000000000 ] - [ 0.0000621300000000, 0.0009400700000000, -0.0004310300000000 ] - [ -0.0036762100000000, -0.0025032500000000, 0.0019413300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000259300000000, 0.0000868000000000, -0.0001043600000000 ] - [ 0.0000297900000000, -0.0000817900000000, 0.0001470100000000 ] - [ -0.0016528900000000, 0.0023808500000000, -0.0029382000000000 ] - [ -0.0001496900000000, -0.0000219900000000, 0.0003870700000000 ] - [ -0.0002180600000000, -0.0001174300000000, 0.0000969300000000 ] - [ 0.0002599700000000, -0.0000550100000000, 0.0004254800000000 ] - [ 0.0000521400000000, 0.0000568500000000, 0.0001455600000000 ] - [ -0.0000048700000000, -0.0001230000000000, 0.0003868300000000 ] - [ 0.0030972600000000, 0.0006186400000000, -0.0028510400000000 ] - [ 0.0000147400000000, -0.0000957200000000, 0.0001585300000000 ] - [ 0.0002006900000000, 0.0000666100000000, -0.0000491600000000 ] - [ -0.0069529400000000, -0.0008470200000000, 0.0002975700000000 ] - [ 0.0000116700000000, -0.0000615200000000, -0.0000269900000000 ] - [ -0.0000216400000000, 0.0000126900000000, 0.0001907800000000 ] - [ 0.0001819600000000, -0.0002849600000000, -0.0001300000000000 ] - [ 0.0000081100000000, 0.0000101600000000, 0.0003202100000000 ] - [ -0.0032687400000000, -0.0028513400000000, -0.0046701000000000 ] - [ 0.0000986700000000, 0.0000419900000000, -0.0000022600000000 ] - [ -0.0000181600000000, 0.0003196600000000, 0.0006492400000000 ] - [ 0.0025836600000000, 0.0053494200000000, 0.0014764700000000 ] - [ 0.0019529300000000, -0.0034250000000000, 0.0011285800000000 ] - [ -0.0000285600000000, 0.0000056900000000, -0.0000521800000000 ] - [ -0.0001070300000000, -0.0002017000000000, -0.0004212200000000 ] - [ -0.0002245800000000, 0.0000295600000000, -0.0000773500000000 ] - [ 0.0085928000000000, 0.0031831500000000, 0.2720594900000000 ] - [ -0.0031507400000000, 0.0054201000000000, -0.0068500600000000 ] - [ 0.0008195400000000, -0.0006686600000000, -0.0001644700000000 ] - [ 0.0023948200000000, 0.0003486700000000, 0.0007660300000000 ] - [ 0.0000105200000000, 0.0000148300000000, 0.0003371400000000 ] - [ -0.0002868400000000, -0.0009659100000000, 0.0000479800000000 ] - [ -0.0009205500000000, -0.0002657200000000, -0.0003645800000000 ] - [ 0.0000434000000000, 0.0001798600000000, 0.0005208300000000 ] - [ 0.0068390000000000, -0.0012152000000000, -0.0004396100000000 ] - [ 0.0003556500000000, 0.0004185200000000, 0.0007643600000000 ] - [ 0.0004237300000000, 0.0005864200000000, -0.0006302400000000 ] - [ -0.0002871400000000, -0.0001247700000000, 0.0001316200000000 ] - [ -0.0001863300000000, -0.0001535100000000, 0.0004755100000000 ] - [ -0.0004741300000000, 0.0004289400000000, 0.0000668900000000 ] - [ -0.0001979300000000, 0.0008367200000000, 0.0001320100000000 ] - [ -0.0005857600000000, -0.0007929400000000, 0.0011093200000000 ] - [ 0.0001918000000000, 0.0001808100000000, 0.0000554900000000 ] - [ -0.0003343300000000, -0.0002308000000000, -0.0003828500000000 ] - [ -0.0019380600000000, -0.0025529000000000, -0.0002141800000000 ] - [ 0.0003689900000000, 0.0011805000000000, 0.0011316300000000 ] - [ -0.0032420400000000, -0.0040010900000000, -0.0068259500000000 ] - [ 0.0001229900000000, 0.0010248800000000, -0.0012618600000000 ] - [ -0.0004026100000000, -0.0001563800000000, -0.0005638900000000 ] - [ 0.0004378700000000, -0.0005370000000000, -0.0003825700000000 ] - [ 0.0000929200000000, -0.0005158100000000, -0.0003850600000000 ] - [ 0.0165049100000000, -0.0139779300000000, -0.0018083700000000 ] - [ -0.0006020300000000, -0.0000012500000000, -0.0005495000000000 ] - [ 0.0006722400000000, -0.0005858500000000, 0.0003957300000000 ] - [ 0.0004302500000000, -0.0004257000000000, 0.0002886400000000 ] - [ -0.0000644300000000, -0.0003043500000000, 0.0001987700000000 ] - [ -0.0003584400000000, 0.0011384600000000, 0.0003487600000000 ] - [ 0.0004288300000000, 0.0000068900000000, -0.0007540000000000 ] - [ 0.0002755700000000, -0.0004288600000000, -0.0015821700000000 ] - [ 0.0000102100000000, 0.0002750300000000, 0.0002359700000000 ] - [ 0.0007237200000000, -0.0009737800000000, 0.0004239200000000 ] - [ 0.0043430800000000, 0.0089054100000000, -0.0025673700000000 ] - [ -0.0001025300000000, -0.0001365500000000, -0.0002553200000000 ] - [ -0.0002626600000000, 0.0013891300000000, -0.0025450600000000 ] - [ 0.0005052900000000, -0.0001714400000000, -0.0007266300000000 ] - [ -0.0003876500000000, -0.0003286400000000, -0.0007021600000000 ] - [ 0.0003217700000000, -0.0066713900000000, -0.0491625300000000 ] - [ -0.0005518300000000, 0.0002193100000000, 0.0000880700000000 ] - [ -0.0014034700000000, -0.0006941100000000, -0.0002379300000000 ] - [ 0.0002263100000000, 0.0008592700000000, 0.0004368900000000 ] - [ -0.0065668700000000, -0.0025392200000000, 0.0107429300000000 ] - [ -0.0012127800000000, 0.0005466900000000, -0.0004896400000000 ] - [ 0.0002642300000000, 0.0004670100000000, 0.0006041500000000 ] - [ 0.0006299000000000, -0.0004215000000000, 0.0000322500000000 ] - [ 0.0003096500000000, 0.0001845600000000, 0.0002202600000000 ] - [ -0.0002950900000000, 0.0005863000000000, 0.0000021200000000 ] - [ 0.0006010300000000, -0.0024639600000000, 0.0021335600000000 ] - [ -0.0005098600000000, 0.0003399000000000, -0.0000215700000000 ] - [ 0.0000564600000000, -0.0000424700000000, -0.0000151700000000 ] - [ 0.0001605600000000, 0.0001949400000000, -0.0002179900000000 ] - [ 0.0004678000000000, 0.0002891300000000, -0.0000733600000000 ] - [ 0.0009515300000000, 0.0007722500000000, 0.0010352500000000 ] - [ 0.0005546100000000, 0.0004135000000000, -0.0008124000000000 ] - [ -0.0002108800000000, -0.0000293500000000, 0.0003229600000000 ] - [ 0.0059040500000000, -0.0046010100000000, 0.0133695400000000 ] - [ -0.0007239500000000, 0.0004924900000000, -0.0003482500000000 ] - [ 0.0003238500000000, -0.0001322400000000, -0.0000044200000000 ] - [ -0.0002484500000000, 0.0009550100000000, 0.0004813800000000 ] - [ 0.0005448200000000, 0.0000180500000000, -0.0000176100000000 ] - [ -0.0000789700000000, 0.0001567700000000, 0.0000705900000000 ] - [ -0.0001183500000000, -0.0002824100000000, 0.0007388400000000 ] - [ -0.0000890900000000, 0.0000867600000000, 0.0000497200000000 ] - [ 0.0000545600000000, 0.0003565400000000, -0.0000481000000000 ] - [ 0.0000517600000000, -0.0002818700000000, 0.0000444500000000 ] - [ 0.0003427000000000, 0.0001266300000000, -0.0000802300000000 ] - [ 0.0000890400000000, 0.0000601500000000, -0.0000042400000000 ] - [ 0.0000636900000000, 0.0000114200000000, 0.0009551900000000 ] - [ -0.0002151200000000, 0.0002879400000000, 0.0000661500000000 ] - [ 0.0002325900000000, 0.0002800600000000, -0.0001585300000000 ] - [ 0.0003325000000000, -0.0001315600000000, -0.0000704500000000 ] - [ -0.0074620400000000, 0.0001382100000000, -0.0038382100000000 ] - [ 0.0001169000000000, 0.0005204300000000, -0.0000427100000000 ] - [ 0.0003075300000000, 0.0000990000000000, 0.0000793500000000 ] - [ 0.0001046900000000, 0.0004588700000000, 0.0000793700000000 ] - [ -0.0000288500000000, -0.0001734100000000, 0.0003200500000000 ] - [ -0.0003659800000000, -0.0000884700000000, -0.0000289800000000 ] - [ 0.0000208400000000, 0.0001542900000000, 0.0000000800000000 ] - [ 0.0000938600000000, -0.0002668600000000, 0.0000933000000000 ] - [ 0.0104842200000000, 0.0117700900000000, -0.0208985500000000 ] - [ 0.0005660800000000, -0.0024238100000000, -0.0003682800000000 ] - [ -0.0001728300000000, -0.0007932300000000, 0.0002415700000000 ] - [ 0.0029440000000000, 0.0107748700000000, 0.0103588400000000 ] - [ 0.0003916900000000, 0.0003005500000000, -0.0001920200000000 ] - [ 0.0002024100000000, 0.0002607000000000, 0.0000580400000000 ] - [ 0.0000845800000000, -0.0004153200000000, -0.0000025900000000 ] - [ -0.0012913500000000, 0.0072317400000000, -0.0013188400000000 ] - [ -0.0004590300000000, 0.0001745600000000, -0.0000000500000000 ] - [ -0.0004336900000000, -0.0001598000000000, 0.0001666200000000 ] - [ 0.0001242700000000, 0.0012662900000000, 0.0010401600000000 ] - [ -0.0001209400000000, 0.0001777700000000, -0.0000368000000000 ] - [ 0.0007443000000000, 0.0004094900000000, 0.0004929500000000 ] - [ 0.0002402100000000, 0.0003102400000000, 0.0001081300000000 ] - [ 0.0000159200000000, 0.0001732100000000, -0.0001992700000000 ] - [ -0.0006234200000000, -0.0004108100000000, 0.0000187800000000 ] - [ 0.0000180400000000, 0.0001910900000000, -0.0001642900000000 ] - [ 0.0002802300000000, 0.0002012400000000, -0.0002262200000000 ] - [ 0.0002763900000000, 0.0003368100000000, 0.0011933300000000 ] - [ 0.0003684000000000, -0.0002012200000000, 0.0000645300000000 ] - [ -0.0002569700000000, -0.0004681000000000, -0.0000231800000000 ] - [ 0.0000906900000000, -0.0003762600000000, -0.0000264900000000 ] - [ -0.0002074300000000, 0.0002795300000000, 0.0001802600000000 ] - [ 0.0040077300000000, -0.0006492500000000, -0.0008996500000000 ] - [ -0.0020063500000000, 0.0015115800000000, 0.0057178700000000 ] - [ 0.0002059600000000, 0.0000527800000000, -0.0003415600000000 ] - [ 0.0007989800000000, 0.0302151800000000, -0.1340090700000000 ] - [ 0.0001469900000000, -0.0002021900000000, -0.0000623700000000 ] - [ -0.0000469600000000, 0.0000016200000000, -0.0000070400000000 ] - [ -0.0000021800000000, -0.0001586200000000, -0.0003157300000000 ] - [ -0.0015742200000000, -0.0020190600000000, 0.0036416700000000 ] - [ -0.0005933300000000, -0.0005704300000000, 0.0005824900000000 ] - [ -0.0000262000000000, -0.0003669100000000, -0.0001078200000000 ] - [ -0.0002157100000000, 0.0001529800000000, 0.0000231700000000 ] - [ -0.0003535900000000, -0.0000007700000000, -0.0009955200000000 ] - [ -0.0012032700000000, -0.0007301000000000, 0.0005245500000000 ] - [ -0.0031129000000000, 0.0015117100000000, -0.0077620900000000 ] - [ -0.0006410400000000, 0.0001546800000000, 0.0000169200000000 ] - [ -0.0000856100000000, -0.0001826200000000, -0.0002974900000000 ] - [ 0.0003235200000000, 0.0001728400000000, 0.0002076200000000 ] - [ -0.0002760500000000, 0.0005529500000000, -0.0005672300000000 ] - [ 0.0001613200000000, 0.0001746500000000, -0.0000636000000000 ] - [ -0.0016333500000000, -0.0006315400000000, 0.0002901800000000 ] - [ 0.0004228500000000, 0.0002937900000000, 0.0016268700000000 ] - [ -0.0003407500000000, -0.0000783500000000, -0.0000170600000000 ] - [ -0.0000672200000000, -0.0002504000000000, -0.0001474100000000 ] - [ 0.0002065900000000, -0.0000119100000000, -0.0000123500000000 ] - [ -0.0000739100000000, 0.0000223900000000, -0.0001026600000000 ] - [ 0.0151739700000000, -0.0583358500000000, -0.0534684700000000 ] - [ -0.0013834000000000, 0.0016204400000000, 0.0004104400000000 ] - [ -0.0000264700000000, 0.0000439800000000, -0.0000007500000000 ] - [ 0.0016879700000000, -0.0012115300000000, 0.0005235300000000 ] - [ -0.0001550500000000, 0.0000697200000000, -0.0001424000000000 ] - [ -0.0077635900000000, 0.0002450400000000, 0.0111395400000000 ] - [ -0.0001704100000000, -0.0004290500000000, -0.0005617300000000 ] - [ -0.0374286300000000, 0.0119652600000000, -0.0340866900000000 ] - [ -0.0001323500000000, 0.0006676300000000, -0.0002850400000000 ] - [ -0.0000489800000000, 0.0000647800000000, 0.0009407100000000 ] - [ -0.0000942400000000, -0.0009571000000000, -0.0002484100000000 ] - [ 0.0005840300000000, -0.0004579300000000, -0.0009123800000000 ] - [ -0.0000418500000000, -0.0001449100000000, 0.0006763400000000 ] - [ 0.0027920200000000, 0.0022135100000000, -0.0016896900000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0000545200000000, 0.0003006000000000, 0.0000976100000000 ] - [ -0.0001616300000000, -0.0002164400000000, 0.0001069100000000 ] - [ 0.0001924700000000, -0.0008611800000000, -0.0000859300000000 ] - [ 0.0000275800000000, 0.0012815400000000, 0.0009111100000000 ] - [ 0.0002815600000000, 0.0006828200000000, -0.0000813000000000 ] - [ 0.0010019800000000, -0.0001002100000000, 0.0002388500000000 ] - [ 0.0010539300000000, 0.0001475800000000, 0.0001251400000000 ] - [ -0.0000063700000000, 0.0001710600000000, 0.0001429500000000 ] - [ -0.0023616000000000, 0.0048877300000000, 0.0022936000000000 ] - [ 0.0003672300000000, 0.0007335400000000, 0.0002451100000000 ] - [ 0.0005806700000000, -0.0006601200000000, 0.0001126800000000 ] - [ -0.0028816900000000, 0.0035233300000000, -0.0012224700000000 ] - [ -0.0001592800000000, -0.0000678600000000, 0.0000179900000000 ] - [ 0.0019492200000000, 0.0000712400000000, -0.0003591700000000 ] - [ -0.0008724800000000, -0.0049118300000000, 0.0029663100000000 ] - [ 0.0003083600000000, -0.0005890700000000, 0.0001991400000000 ] - [ 0.0045946800000000, -0.0012014100000000, -0.0040480800000000 ] - [ 0.0019778900000000, -0.0000822900000000, 0.0009557900000000 ] - [ -0.0041212500000000, -0.0031993700000000, -0.0012691300000000 ] - [ 0.0029375100000000, -0.0001268500000000, 0.0043390800000000 ] - [ 0.0002704200000000, -0.0009165700000000, 0.0002812300000000 ] - [ 0.0010557400000000, 0.0000705700000000, -0.0000289200000000 ] - [ 0.0008962700000000, -0.0003539600000000, -0.0000438300000000 ] - [ 0.0000076400000000, 0.0012233800000000, -0.0002994600000000 ] - [ -0.0023966300000000, -0.0014356800000000, 0.0027702000000000 ] - [ -0.2898256900000000, 0.0095989500000000, 0.0017857100000000 ] - [ 0.0017420200000000, 0.0002810700000000, -0.0000642600000000 ] - [ -0.0000480800000000, 0.0003939800000000, -0.0054972700000000 ] - [ 0.0018711800000000, 0.0004570100000000, 0.0005770500000000 ] - [ -0.0003137000000000, -0.0000293400000000, 0.0001612900000000 ] - [ -0.0042318200000000, 0.0029474200000000, -0.0013640100000000 ] - [ 0.0034402100000000, -0.0068849400000000, -0.0007363300000000 ] - [ 0.0035565200000000, -0.0018202600000000, 0.0012086800000000 ] - [ -0.0013613200000000, 0.0024818100000000, -0.0004569700000000 ] - [ 0.0003394500000000, -0.0005308500000000, -0.0000946500000000 ] - [ 0.0010513000000000, 0.0011403300000000, -0.0000081000000000 ] - [ 0.0003511300000000, 0.0015843200000000, 0.0004511200000000 ] - [ -0.0018491800000000, -0.0013089100000000, -0.0002105700000000 ] - [ 0.0001672400000000, -0.0006030100000000, 0.0003580000000000 ] - [ 0.0025126200000000, -0.0003759800000000, 0.0003934200000000 ] - [ 0.0022950800000000, -0.0004232600000000, -0.0002192700000000 ] - [ 0.0021834500000000, -0.0004143900000000, -0.0001373800000000 ] - [ -0.0040800500000000, -0.0008250800000000, -0.0047995200000000 ] - [ 0.0014909600000000, -0.0008562500000000, 0.0000219900000000 ] - [ -0.0027618400000000, -0.0023806500000000, -0.0010143300000000 ] - [ 0.0052518600000000, 0.0015426400000000, -0.0009805600000000 ] - [ 0.0047776500000000, 0.0067358700000000, 0.0008267300000000 ] - [ 0.0016440100000000, -0.0010403600000000, -0.0003291900000000 ] - [ 0.0004251700000000, 0.0010092900000000, -0.0005056400000000 ] - [ -0.0080548300000000, 0.0007754500000000, 0.0048283700000000 ] - [ 0.0020273100000000, 0.0016943100000000, -0.0021698000000000 ] - [ 0.0036474500000000, -0.0012055300000000, 0.0001102400000000 ] - [ -0.0015729400000000, -0.0043469400000000, 0.0000077000000000 ] - [ 0.0001280800000000, -0.0017220700000000, 0.0001823000000000 ] - [ 0.0004632300000000, 0.0036349700000000, 0.0016540400000000 ] - [ 0.0017687500000000, -0.0005246800000000, -0.0005196000000000 ] - [ 0.0000145300000000, -0.0003397000000000, -0.0006421000000000 ] - [ 0.0002875800000000, 0.0019832800000000, 0.0005091100000000 ] - [ 0.0010113100000000, -0.0015218100000000, 0.0001974900000000 ] - [ -0.0017515600000000, -0.0013629800000000, -0.0001311800000000 ] - [ 0.0014183300000000, -0.0026524000000000, -0.0021228500000000 ] - [ 0.0074394300000000, 0.0302494800000000, -0.0077068100000000 ] - [ 0.0039443200000000, 0.0007573800000000, -0.0002141900000000 ] - [ 0.0024991100000000, -0.0003390700000000, -0.0005784500000000 ] - [ 0.0077284800000000, -0.0163193400000000, 0.0063798000000000 ] - [ 0.0004228100000000, 0.0010001500000000, 0.0002724400000000 ] - [ -0.0025290800000000, 0.0026788100000000, -0.0002720900000000 ] - [ 0.0015313300000000, 0.0028096400000000, 0.0006997500000000 ] - [ 0.0014001500000000, -0.0011566400000000, 0.0001796300000000 ] - [ 0.0396124300000000, 0.0059046100000000, -0.0105641300000000 ] - [ 0.0030334000000000, -0.0009013200000000, 0.0004068900000000 ] - [ -0.0025128100000000, 0.0008443400000000, -0.0005940000000000 ] - [ -0.0000984800000000, -0.0001916600000000, 0.0000467000000000 ] - [ -0.0004189600000000, 0.0018851200000000, 0.0005442000000000 ] - [ 0.0851710700000000, 0.0537559700000000, 0.0279435800000000 ] - [ -0.0001536100000000, 0.0022072400000000, 0.0002874300000000 ] - [ 0.0000107800000000, 0.0009509600000000, 0.0002092000000000 ] - [ -0.0000343900000000, -0.0005425500000000, -0.0001201600000000 ] - [ 0.0006116800000000, -0.0031356500000000, 0.0004130800000000 ] - [ 0.0017690000000000, -0.0005369400000000, -0.0001522300000000 ] - [ -0.0005208100000000, -0.0004658400000000, 0.0002475300000000 ] - [ -0.0003899600000000, 0.0008169700000000, 0.0001276800000000 ] - [ 0.0328152700000000, -0.0361131000000000, 0.0044943600000000 ] - [ -0.0021459900000000, 0.0012054700000000, -0.0007178200000000 ] - [ 0.0003667600000000, -0.0008296700000000, -0.0000848900000000 ] - [ -0.0001484000000000, 0.0010539300000000, 0.0001034100000000 ] - [ -0.0005798700000000, -0.0001448800000000, -0.0002123700000000 ] - [ -0.0012096700000000, -0.0001435700000000, -0.0003922900000000 ] - [ -0.0001785000000000, 0.0001868600000000, 0.0000130600000000 ] - [ -0.0008932300000000, -0.0018103100000000, -0.0016879500000000 ] - [ 0.0004914300000000, -0.0002003800000000, 0.0000836200000000 ] - [ -0.0025216400000000, 0.0011324000000000, 0.0001592700000000 ] - [ -0.0005996200000000, -0.0005342400000000, -0.0001606500000000 ] - [ 0.0025313500000000, 0.0002662000000000, -0.0003934200000000 ] - [ -0.0012807400000000, 0.0000497700000000, 0.0006933400000000 ] - [ -0.0000673800000000, 0.0007961200000000, 0.0001040000000000 ] - [ -0.0023330400000000, 0.0000798300000000, -0.0005410600000000 ] - [ -0.0001384300000000, -0.0009796100000000, -0.0000167400000000 ] - [ 0.0026358000000000, -0.0006064800000000, 0.0009471600000000 ] - [ 0.0018648600000000, -0.0014954100000000, 0.0007533700000000 ] - [ -0.0096015700000000, 0.0052687800000000, -0.0006662900000000 ] - [ 0.0000460900000000, -0.0004913500000000, 0.0001276200000000 ] - [ 0.0017711200000000, -0.0006221800000000, 0.0010503900000000 ] - [ 0.0001473500000000, 0.0010509400000000, 0.0002998400000000 ] - [ -0.0002675800000000, -0.0016059800000000, -0.0001877300000000 ] - [ -0.0015250100000000, 0.0003891300000000, 0.0002917600000000 ] - [ 0.0017654900000000, 0.0014250900000000, -0.0009162200000000 ] - [ 0.0001110700000000, 0.0001703400000000, 0.0000355000000000 ] - [ 0.0056460700000000, -0.0110928900000000, -0.0000179000000000 ] - [ 0.0000354100000000, 0.0047565500000000, -0.0003671600000000 ] - [ -0.0007060700000000, -0.0012555700000000, 0.0003354200000000 ] - [ -0.0000573400000000, -0.0009732200000000, -0.0000425600000000 ] - [ -0.0001499400000000, -0.0011163200000000, 0.0001113400000000 ] - [ 0.0051816300000000, 0.0033827400000000, -0.0025722800000000 ] - [ -0.0005334100000000, -0.0010552300000000, 0.0000332600000000 ] - [ -0.0019995200000000, 0.0001728400000000, 0.0001573300000000 ] - [ 0.0001999500000000, 0.0003261100000000, 0.0002457700000000 ] - [ -0.0000152900000000, -0.0006266700000000, 0.0000179900000000 ] - [ -0.0093558500000000, -0.0097130300000000, -0.0017760800000000 ] - [ 0.0006135900000000, -0.0009966200000000, 0.0009073600000000 ] - [ 0.0019212100000000, 0.0008345000000000, 0.0005764300000000 ] - [ -0.0009752700000000, -0.0019411400000000, 0.0005476600000000 ] - [ -0.0002013800000000, -0.0004003300000000, -0.0001939300000000 ] - [ -0.0019081800000000, 0.0003591800000000, 0.0001892400000000 ] - [ -0.0016838700000000, -0.0007696900000000, 0.0021169200000000 ] - [ -0.0008366000000000, -0.0013893800000000, 0.0000676400000000 ] - [ -0.0015151300000000, -0.0006463600000000, 0.0001200000000000 ] - [ -0.0013629200000000, -0.0001089300000000, 0.0002397400000000 ] - [ -0.0040477400000000, -0.0010064100000000, -0.0000637800000000 ] - [ -0.0004900700000000, 0.0013276200000000, -0.0002017700000000 ] - [ 0.0277271500000000, -0.0044769100000000, 0.0297541900000000 ] - [ -0.0004345300000000, -0.0006161000000000, -0.0004049100000000 ] - [ 0.0001158400000000, 0.0023806400000000, -0.0044805900000000 ] - [ -0.0007537200000000, 0.0000439000000000, -0.0001766500000000 ] - [ -0.0016024500000000, 0.0000569700000000, -0.0001818000000000 ] - [ -0.0010654200000000, 0.0018485500000000, 0.0015952600000000 ] - [ 0.0007788200000000, 0.0005624500000000, 0.0005957000000000 ] - [ -0.0030475800000000, 0.0006205200000000, -0.0002670400000000 ] - [ -0.0064796700000000, -0.0019709300000000, 0.0089590600000000 ] - [ -0.0016150000000000, -0.0005250300000000, -0.0002195200000000 ] - [ -0.0014778100000000, 0.0003509500000000, -0.0006423000000000 ] - [ 0.0012775200000000, -0.0002414600000000, 0.0002815300000000 ] - [ -0.0011097600000000, 0.0007578300000000, -0.0009296100000000 ] - [ -0.0011863000000000, 0.0001832900000000, 0.0000436400000000 ] - [ -0.0011292300000000, 0.0001590700000000, 0.0000178000000000 ] - [ 0.0000577100000000, 0.0003177000000000, 0.0000196900000000 ] - [ -0.0004883700000000, 0.0007893300000000, -0.0000141200000000 ] - [ 0.0002260700000000, -0.0016517400000000, -0.0001805200000000 ] - [ -0.0019586500000000, 0.0002320200000000, -0.0000269300000000 ] - [ 0.0003376700000000, -0.0055547500000000, 0.0095230200000000 ] - [ 0.0001745000000000, 0.0041611500000000, 0.0002550800000000 ] - [ -0.0011146600000000, 0.0005360300000000, 0.0000216900000000 ] - [ 0.0000451800000000, 0.0004560100000000, 0.0000086400000000 ] - [ -0.0000289900000000, 0.0014991100000000, -0.0003916900000000 ] - [ 0.0060006600000000, -0.0029408800000000, -0.0014867900000000 ] - [ -0.0013572900000000, 0.0019192700000000, -0.0001202700000000 ] - [ -0.0011599700000000, -0.0003999400000000, 0.0001322100000000 ] - [ 0.1124368800000000, -0.0245701600000000, -0.0616691400000000 ] - [ -0.0003213500000000, 0.0007294600000000, 0.0000089200000000 ] - [ -0.0023202700000000, 0.0032013500000000, -0.0008838800000000 ] - [ -0.0001494700000000, 0.0007290100000000, -0.0003462600000000 ] - [ 0.0000849300000000, 0.0002310600000000, -0.0001329200000000 ] - [ -0.0016066000000000, 0.0005912200000000, 0.0003417500000000 ] - [ -0.0005478700000000, 0.0001760000000000, 0.0008620800000000 ] - [ -0.0018760000000000, -0.0023321400000000, -0.0006954500000000 ] - [ 0.0013493000000000, -0.0023588200000000, -0.0007608500000000 ] - [ -0.0060253500000000, -0.0046171100000000, 0.0003454400000000 ] - [ -0.0015901400000000, 0.0004240500000000, 0.0004447300000000 ]- atom: 26 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0000074000000000, -0.0002703600000000, 0.0001276200000000 ] - [ 0.0001604900000000, 0.0002166900000000, 0.0000100100000000 ] - [ -0.0000686600000000, 0.0010187300000000, 0.0005452600000000 ] - [ -0.0001459800000000, -0.0014362200000000, -0.0004520200000000 ] - [ -0.0005837600000000, -0.0008723200000000, 0.0001145200000000 ] - [ -0.0008045000000000, 0.0000771500000000, 0.0002191000000000 ] - [ -0.0010532400000000, -0.0001480500000000, -0.0000098500000000 ] - [ 0.0000679800000000, -0.0002030600000000, 0.0000819900000000 ] - [ 0.0023306400000000, -0.0048789500000000, -0.0021679700000000 ] - [ -0.0002906600000000, -0.0009110200000000, 0.0002146600000000 ] - [ -0.0002786400000000, 0.0008504800000000, -0.0000780000000000 ] - [ 0.0028663900000000, -0.0035256800000000, 0.0012847500000000 ] - [ 0.0001597100000000, 0.0000695400000000, 0.0001015100000000 ] - [ -0.0020055400000000, -0.0001079200000000, 0.0005814000000000 ] - [ 0.0006617000000000, 0.0049177800000000, -0.0024957900000000 ] - [ -0.0003855000000000, 0.0007702000000000, 0.0002600800000000 ] - [ -0.0046393400000000, 0.0011445800000000, 0.0043159000000000 ] - [ -0.0019167900000000, 0.0001162700000000, -0.0007269600000000 ] - [ 0.0040945000000000, 0.0035737500000000, 0.0013121600000000 ] - [ -0.0029435500000000, 0.0001855400000000, -0.0041377900000000 ] - [ 0.0000522500000000, 0.0007503100000000, -0.0002442400000000 ] - [ -0.0010564500000000, -0.0000729700000000, 0.0000931100000000 ] - [ -0.0008818600000000, -0.0000035200000000, 0.0000782700000000 ] - [ -0.0003259400000000, -0.0010553900000000, 0.0003348000000000 ] - [ 0.0022422800000000, 0.0001437800000000, -0.0032666000000000 ] - [ 0.2873233300000000, -0.0041307200000000, 0.0044963400000000 ] - [ -0.0004558900000000, -0.0014074800000000, -0.0000453600000000 ] - [ 0.0012145700000000, 0.0001189500000000, 0.0050066000000000 ] - [ -0.0018943700000000, -0.0004199100000000, 0.0002282300000000 ] - [ -0.0000318800000000, -0.0016315700000000, -0.0002710800000000 ] - [ 0.0026110500000000, -0.0034791500000000, 0.0012592200000000 ] - [ -0.0034182700000000, 0.0068345400000000, 0.0015312100000000 ] - [ -0.0036113500000000, 0.0018274900000000, -0.0004108500000000 ] - [ 0.0003147600000000, -0.0017000600000000, -0.0000414100000000 ] - [ 0.0000088200000000, 0.0021963400000000, -0.0000136800000000 ] - [ -0.0014697400000000, -0.0012243400000000, -0.0000357800000000 ] - [ -0.0003426100000000, -0.0015401700000000, 0.0003485100000000 ] - [ 0.0005612100000000, 0.0024407400000000, 0.0001002100000000 ] - [ -0.0001747400000000, 0.0005558900000000, 0.0004419500000000 ] - [ -0.0022365500000000, 0.0000382800000000, -0.0004430000000000 ] - [ -0.0021428500000000, 0.0008349600000000, 0.0001784600000000 ] - [ -0.0033712700000000, -0.0001009200000000, -0.0003608200000000 ] - [ 0.0041455400000000, 0.0008359000000000, 0.0056208300000000 ] - [ 0.0001316200000000, 0.0013967100000000, -0.0001262700000000 ] - [ 0.0031704300000000, 0.0024460800000000, 0.0009647800000000 ] - [ -0.0050834500000000, -0.0002731300000000, 0.0004750200000000 ] - [ -0.0048988800000000, -0.0071026200000000, -0.0008567700000000 ] - [ -0.0006016300000000, 0.0002546000000000, -0.0001686600000000 ] - [ -0.0001654300000000, -0.0020439000000000, -0.0006308300000000 ] - [ 0.0097205700000000, -0.0004305100000000, -0.0041811900000000 ] - [ -0.0022139100000000, -0.0010688000000000, 0.0008999300000000 ] - [ -0.0025031500000000, -0.0000382700000000, 0.0005588900000000 ] - [ 0.0022535700000000, 0.0038206200000000, 0.0003556100000000 ] - [ -0.0002478400000000, 0.0008914500000000, 0.0001717400000000 ] - [ -0.0016121600000000, -0.0023944900000000, -0.0009712900000000 ] - [ -0.0010654400000000, 0.0003797700000000, -0.0007480400000000 ] - [ -0.0002707800000000, 0.0013690300000000, -0.0004954800000000 ] - [ -0.0001672800000000, -0.0011478000000000, -0.0001543000000000 ] - [ -0.0017718500000000, 0.0011991300000000, 0.0001542200000000 ] - [ 0.0012379500000000, -0.0002444500000000, 0.0008000100000000 ] - [ -0.0024739200000000, 0.0029430300000000, 0.0009823600000000 ] - [ -0.0082040200000000, -0.0310994200000000, 0.0064913500000000 ] - [ -0.0028852000000000, -0.0010440300000000, -0.0009213600000000 ] - [ -0.0029302000000000, -0.0002091500000000, -0.0006922900000000 ] - [ -0.0074283300000000, 0.0157620900000000, -0.0076833100000000 ] - [ -0.0011068400000000, -0.0004729500000000, 0.0000926500000000 ] - [ 0.0018104600000000, -0.0025298600000000, -0.0009954500000000 ] - [ -0.0010184100000000, -0.0012067200000000, -0.0000274500000000 ] - [ -0.0006423700000000, 0.0019241500000000, -0.0013174800000000 ] - [ -0.0389782300000000, -0.0054774100000000, 0.0090210700000000 ] - [ -0.0046854400000000, 0.0005457800000000, 0.0002665000000000 ] - [ 0.0032729200000000, -0.0005138700000000, 0.0009476500000000 ] - [ 0.0007060200000000, 0.0005020000000000, 0.0001215500000000 ] - [ 0.0011399500000000, -0.0015293900000000, -0.0002988800000000 ] - [ -0.0873848100000000, -0.0570083400000000, -0.0293649300000000 ] - [ -0.0006333600000000, -0.0017706400000000, -0.0002276600000000 ] - [ 0.0001364100000000, -0.0011033500000000, -0.0002542100000000 ] - [ 0.0002245100000000, 0.0008223800000000, 0.0000020300000000 ] - [ -0.0005383000000000, 0.0036033500000000, -0.0007475800000000 ] - [ -0.0028552500000000, 0.0004861900000000, 0.0001620700000000 ] - [ -0.0002045400000000, 0.0007236600000000, -0.0002846200000000 ] - [ -0.0001855600000000, -0.0004462400000000, 0.0000366200000000 ] - [ -0.0318360200000000, 0.0353016800000000, -0.0044759800000000 ] - [ 0.0007562300000000, -0.0003045600000000, 0.0000140300000000 ] - [ 0.0002087800000000, 0.0004585600000000, 0.0002505000000000 ] - [ 0.0001135200000000, -0.0001491400000000, -0.0000438800000000 ] - [ 0.0016778900000000, 0.0002027000000000, 0.0002255800000000 ] - [ 0.0010555200000000, 0.0004483000000000, 0.0002677400000000 ] - [ -0.0000118800000000, -0.0004651100000000, -0.0001330100000000 ] - [ 0.0009745500000000, 0.0021881300000000, 0.0012359000000000 ] - [ -0.0004317000000000, 0.0003952500000000, -0.0001271300000000 ] - [ 0.0027429800000000, -0.0016363000000000, -0.0000470800000000 ] - [ 0.0011480100000000, 0.0007229700000000, 0.0000381100000000 ] - [ -0.0023209300000000, -0.0002246200000000, 0.0003473400000000 ] - [ 0.0014265100000000, -0.0000346600000000, 0.0009140400000000 ] - [ 0.0000071000000000, -0.0010003100000000, -0.0001471600000000 ] - [ 0.0019545700000000, 0.0002157300000000, 0.0002101800000000 ] - [ 0.0005806900000000, 0.0005907800000000, -0.0001015500000000 ] - [ -0.0040784600000000, -0.0001270100000000, -0.0016250700000000 ] - [ -0.0019797900000000, 0.0009191300000000, -0.0008811400000000 ] - [ 0.0094844900000000, -0.0045223900000000, 0.0006767200000000 ] - [ 0.0001535400000000, 0.0013716200000000, 0.0001217700000000 ] - [ -0.0018025200000000, -0.0000621200000000, -0.0008852200000000 ] - [ -0.0007525200000000, -0.0013633100000000, -0.0001301900000000 ] - [ -0.0003021500000000, 0.0011160400000000, 0.0001572400000000 ] - [ 0.0021931700000000, -0.0009966200000000, -0.0000478300000000 ] - [ -0.0016737600000000, 0.0002229700000000, 0.0002165900000000 ] - [ -0.0004312400000000, -0.0006253900000000, 0.0000740700000000 ] - [ -0.0064235900000000, 0.0106303400000000, 0.0000854600000000 ] - [ -0.0005117000000000, -0.0049006000000000, 0.0000188500000000 ] - [ 0.0011568700000000, 0.0014438200000000, -0.0006737500000000 ] - [ 0.0003749900000000, 0.0014308800000000, 0.0001498100000000 ] - [ 0.0001827800000000, 0.0002119400000000, -0.0000524300000000 ] - [ -0.0046477200000000, -0.0034548000000000, 0.0027034200000000 ] - [ -0.0001278000000000, 0.0014786000000000, 0.0002071200000000 ] - [ 0.0012855000000000, -0.0005283300000000, 0.0000877800000000 ] - [ -0.0003977700000000, -0.0011986700000000, 0.0000020700000000 ] - [ -0.0001297600000000, 0.0007748900000000, -0.0000608900000000 ] - [ 0.0097981500000000, 0.0106588700000000, 0.0018173700000000 ] - [ -0.0005176000000000, 0.0008708800000000, 0.0007075300000000 ] - [ -0.0015722800000000, -0.0009077600000000, -0.0008398300000000 ] - [ 0.0009063400000000, 0.0018288400000000, -0.0005390900000000 ] - [ 0.0001104400000000, 0.0006966500000000, -0.0000860500000000 ] - [ 0.0033761900000000, 0.0003871500000000, -0.0008898300000000 ] - [ 0.0016219700000000, 0.0006411700000000, -0.0005115000000000 ] - [ 0.0016241600000000, 0.0009497400000000, -0.0000083800000000 ] - [ 0.0009945900000000, -0.0003445600000000, -0.0001041500000000 ] - [ 0.0014795600000000, -0.0006150400000000, -0.0002641100000000 ] - [ 0.0033645200000000, 0.0016080700000000, 0.0003084500000000 ] - [ 0.0012676000000000, -0.0008664300000000, 0.0002637600000000 ] - [ -0.0277699800000000, 0.0042208900000000, -0.0304788600000000 ] - [ 0.0008083200000000, 0.0007391700000000, -0.0000341100000000 ] - [ -0.0000816400000000, -0.0022482000000000, 0.0060646800000000 ] - [ 0.0005429500000000, -0.0000901200000000, 0.0001307200000000 ] - [ 0.0016740900000000, 0.0000620400000000, 0.0001991500000000 ] - [ 0.0012209400000000, -0.0021526600000000, -0.0017140400000000 ] - [ -0.0011539700000000, -0.0006796700000000, -0.0010298400000000 ] - [ 0.0031259200000000, -0.0007465400000000, 0.0002863800000000 ] - [ 0.0063725200000000, 0.0019938400000000, -0.0073532600000000 ] - [ 0.0013902600000000, 0.0010319400000000, 0.0003283400000000 ] - [ 0.0011818200000000, -0.0000853000000000, 0.0002014400000000 ] - [ -0.0011366100000000, 0.0002357400000000, -0.0002623100000000 ] - [ 0.0007686800000000, -0.0007398800000000, 0.0008078900000000 ] - [ 0.0008387900000000, -0.0001147200000000, -0.0003060800000000 ] - [ 0.0010451300000000, -0.0005428900000000, -0.0004587300000000 ] - [ 0.0006075300000000, -0.0007396200000000, 0.0002224100000000 ] - [ 0.0005206400000000, -0.0001082500000000, 0.0001796900000000 ] - [ -0.0000080400000000, 0.0019009000000000, -0.0000854400000000 ] - [ 0.0014058700000000, -0.0001816700000000, 0.0001365800000000 ] - [ -0.0000081500000000, 0.0055523200000000, -0.0096578600000000 ] - [ -0.0007202200000000, -0.0043427200000000, -0.0003732700000000 ] - [ 0.0010457500000000, -0.0010170200000000, -0.0003579600000000 ] - [ 0.0005279700000000, 0.0000357100000000, -0.0000395600000000 ] - [ 0.0001222300000000, -0.0017975000000000, 0.0001132000000000 ] - [ -0.0061051300000000, 0.0030827900000000, 0.0015097300000000 ] - [ 0.0014723200000000, -0.0013514600000000, -0.0000036700000000 ] - [ 0.0010214400000000, 0.0004058100000000, -0.0001149000000000 ] - [ -0.1067917700000000, 0.0225890600000000, 0.0572239400000000 ] - [ -0.0001215700000000, -0.0003409700000000, -0.0001270700000000 ] - [ 0.0030169200000000, -0.0034840900000000, 0.0008637100000000 ] - [ -0.0000706700000000, -0.0009822500000000, 0.0000797100000000 ] - [ -0.0001142000000000, -0.0010266200000000, 0.0003743500000000 ] - [ 0.0009712400000000, 0.0003852100000000, -0.0003077100000000 ] - [ 0.0004556000000000, -0.0000488100000000, 0.0007517100000000 ] - [ 0.0017791600000000, 0.0006901500000000, -0.0000033200000000 ] - [ 0.0000375500000000, 0.0014551800000000, 0.0000572300000000 ] - [ 0.0059985400000000, 0.0053885100000000, -0.0000875200000000 ] - [ 0.0007320000000000, -0.0006991400000000, -0.0002030100000000 ]- atom: 26 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0003995500000000, 0.0007359400000000, 0.0001987900000000 ] - [ -0.0002689200000000, 0.0008716800000000, 0.0000811000000000 ] - [ -0.0010900000000000, 0.0015728700000000, 0.0009155900000000 ] - [ 0.0007534700000000, 0.0003535800000000, 0.0004888900000000 ] - [ 0.0000552000000000, -0.0001814400000000, 0.0000329000000000 ] - [ -0.0006530800000000, -0.0000995700000000, 0.0001920200000000 ] - [ -0.0002578800000000, -0.0001489900000000, 0.0000585400000000 ] - [ 0.0003636500000000, 0.0007505600000000, 0.0000178700000000 ] - [ 0.0059343900000000, 0.0008095100000000, 0.0045689500000000 ] - [ 0.0003238800000000, -0.0000845300000000, 0.0002307000000000 ] - [ -0.0005157800000000, 0.0009046600000000, -0.0000730300000000 ] - [ 0.0048622100000000, -0.0011645700000000, -0.0028385600000000 ] - [ -0.0003400700000000, 0.0008389800000000, 0.0000355600000000 ] - [ -0.0011741400000000, -0.0004632900000000, 0.0003420200000000 ] - [ -0.0032355900000000, 0.0048866200000000, -0.0040635200000000 ] - [ -0.0006117200000000, 0.0009421700000000, 0.0002296300000000 ] - [ -0.0034006800000000, -0.0033348700000000, 0.0027869500000000 ] - [ -0.0011387300000000, -0.0004385700000000, -0.0003338900000000 ] - [ -0.0001952900000000, 0.0038090500000000, 0.0042944700000000 ] - [ -0.0006498100000000, -0.0034397300000000, -0.0007823500000000 ] - [ -0.0008598300000000, 0.0014571700000000, -0.0006062100000000 ] - [ -0.0001482300000000, -0.0000776800000000, 0.0000305200000000 ] - [ -0.0008366900000000, -0.0002533000000000, 0.0001229700000000 ] - [ 0.0005300700000000, 0.0005347200000000, -0.0001160500000000 ] - [ 0.0006873900000000, -0.0014108900000000, -0.0063301600000000 ] - [ 0.1501334200000000, -0.2620335800000000, -0.0030608400000000 ] - [ -0.0003969700000000, 0.0000210300000000, -0.0001652200000000 ] - [ 0.0005848700000000, -0.0019979300000000, 0.0032264400000000 ] - [ -0.0005456200000000, -0.0004717400000000, 0.0003565300000000 ] - [ 0.0005915000000000, 0.0002779700000000, -0.0000932500000000 ] - [ -0.0008632100000000, 0.0035572700000000, -0.0005716200000000 ] - [ -0.0033875000000000, 0.0033119800000000, 0.0012266800000000 ] - [ -0.0073462600000000, 0.0010488000000000, -0.0012081000000000 ] - [ 0.0016993100000000, 0.0002669400000000, -0.0003675800000000 ] - [ -0.0011373200000000, 0.0032103600000000, 0.0000511500000000 ] - [ 0.0001915000000000, 0.0003802300000000, 0.0000218800000000 ] - [ 0.0011716700000000, 0.0008943300000000, 0.0003543900000000 ] - [ -0.0015235500000000, 0.0028314400000000, 0.0002849300000000 ] - [ -0.0006220600000000, 0.0022165300000000, 0.0005717400000000 ] - [ -0.0012280800000000, -0.0018433200000000, -0.0001894800000000 ] - [ -0.0015835900000000, 0.0007044300000000, 0.0001615400000000 ] - [ -0.0020554900000000, -0.0007156200000000, -0.0003266600000000 ] - [ 0.0026373300000000, -0.0001637300000000, -0.0019492900000000 ] - [ -0.0004847200000000, 0.0017481200000000, -0.0002191300000000 ] - [ 0.0037650300000000, 0.0076980900000000, 0.0018213400000000 ] - [ 0.0025379200000000, -0.0009509100000000, -0.0004313800000000 ] - [ -0.0006706600000000, -0.0039767300000000, -0.0004109100000000 ] - [ 0.0006070500000000, 0.0009118900000000, -0.0002831900000000 ] - [ 0.0012060600000000, 0.0003371900000000, -0.0006206200000000 ] - [ 0.0075997500000000, -0.0066067600000000, -0.0049259400000000 ] - [ 0.0013892900000000, -0.0005138200000000, -0.0006029000000000 ] - [ -0.0017289700000000, -0.0004050500000000, 0.0005158900000000 ] - [ -0.0008620800000000, 0.0036190200000000, 0.0003953800000000 ] - [ -0.0014686700000000, 0.0018936100000000, 0.0002167000000000 ] - [ 0.0004903800000000, -0.0025436600000000, 0.0000531400000000 ] - [ 0.0000874300000000, 0.0014475100000000, -0.0006365700000000 ] - [ -0.0013374900000000, 0.0034556300000000, -0.0003622600000000 ] - [ 0.0006565400000000, 0.0022691100000000, 0.0005238700000000 ] - [ -0.0028680300000000, 0.0020899800000000, -0.0000131000000000 ] - [ 0.0011231900000000, 0.0021796100000000, 0.0023679600000000 ] - [ -0.0027014500000000, 0.0014488700000000, 0.0004661900000000 ] - [ 0.0112921400000000, 0.0093091500000000, 0.0001046100000000 ] - [ -0.0006602900000000, -0.0006509100000000, -0.0007378000000000 ] - [ -0.0016664500000000, -0.0007860700000000, -0.0006758500000000 ] - [ -0.0281582700000000, 0.0286497900000000, -0.0206585800000000 ] - [ -0.0012737200000000, 0.0006034800000000, 0.0002068600000000 ] - [ 0.0042857800000000, 0.0008123400000000, -0.0017485800000000 ] - [ 0.0009399100000000, 0.0012530900000000, 0.0003128300000000 ] - [ -0.0028658300000000, -0.0001798800000000, -0.0019781400000000 ] - [ -0.0236070200000000, -0.0093981100000000, 0.0023476100000000 ] - [ -0.0021550500000000, -0.0030175300000000, 0.0000216400000000 ] - [ 0.0013010500000000, 0.0021539500000000, -0.0005871600000000 ] - [ 0.0006136400000000, -0.0000607600000000, 0.0001116900000000 ] - [ 0.0014190800000000, 0.0001081200000000, 0.0002172700000000 ] - [ 0.0053726700000000, 0.0331642700000000, 0.0063531400000000 ] - [ 0.0001913900000000, -0.0009911200000000, -0.0000424000000000 ] - [ 0.0011457500000000, -0.0019754300000000, -0.0004355200000000 ] - [ -0.0004189400000000, -0.0002450300000000, 0.0000005700000000 ] - [ -0.0015973800000000, 0.0019844800000000, -0.0004475000000000 ] - [ -0.0046320500000000, -0.0021733400000000, 0.0007506400000000 ] - [ -0.0020911300000000, 0.0009912100000000, 0.0004409200000000 ] - [ 0.0003645400000000, -0.0009514400000000, -0.0000491600000000 ] - [ -0.0493840900000000, 0.1425377000000000, -0.0153517100000000 ] - [ 0.0001286400000000, -0.0002711400000000, -0.0000863900000000 ] - [ -0.0000086500000000, -0.0008349500000000, 0.0000063300000000 ] - [ 0.0009902700000000, -0.0008566600000000, -0.0001548500000000 ] - [ 0.0004721000000000, -0.0003066400000000, -0.0000378900000000 ] - [ 0.0002918900000000, 0.0003788400000000, 0.0000768600000000 ] - [ 0.0003019100000000, -0.0012917300000000, -0.0003009800000000 ] - [ -0.0004646100000000, 0.0015004200000000, 0.0002601600000000 ] - [ -0.0005424000000000, -0.0013809200000000, 0.0003503800000000 ] - [ 0.0023436100000000, -0.0010267300000000, 0.0000149100000000 ] - [ 0.0007557200000000, 0.0001544300000000, 0.0000303800000000 ] - [ 0.0006068000000000, -0.0014830000000000, -0.0001325700000000 ] - [ 0.0008019900000000, 0.0002203200000000, 0.0008887700000000 ] - [ 0.0004861000000000, -0.0016405600000000, -0.0001469200000000 ] - [ 0.0010278600000000, 0.0006362700000000, 0.0000199400000000 ] - [ -0.0006259700000000, -0.0007180500000000, -0.0000536800000000 ] - [ -0.0018677000000000, 0.0024725300000000, 0.0011600000000000 ] - [ -0.0006539900000000, -0.0009169500000000, 0.0002226900000000 ] - [ 0.0063056700000000, -0.0011843400000000, 0.0001257500000000 ] - [ -0.0002587700000000, 0.0000384500000000, 0.0000640700000000 ] - [ -0.0003863100000000, -0.0018312400000000, 0.0008138900000000 ] - [ 0.0002328100000000, -0.0014248900000000, -0.0003369400000000 ] - [ -0.0017643000000000, -0.0013199100000000, 0.0000437000000000 ] - [ 0.0020420700000000, -0.0005527300000000, -0.0001061000000000 ] - [ -0.0011118500000000, -0.0004222000000000, 0.0005605700000000 ] - [ 0.0002523300000000, -0.0021738500000000, -0.0002665700000000 ] - [ -0.0029330400000000, -0.0024280100000000, -0.0000188400000000 ] - [ 0.0015859400000000, -0.0111044900000000, 0.0014522300000000 ] - [ -0.0002701500000000, 0.0001577900000000, -0.0001227700000000 ] - [ -0.0002896500000000, -0.0002013100000000, -0.0000000900000000 ] - [ -0.0008130000000000, -0.0009264900000000, 0.0001410000000000 ] - [ -0.0013586400000000, 0.0012802100000000, 0.0012115000000000 ] - [ -0.0012560400000000, -0.0003651700000000, 0.0001664600000000 ] - [ 0.0003637900000000, -0.0000134500000000, 0.0001063100000000 ] - [ 0.0001631000000000, -0.0035568500000000, -0.0000318100000000 ] - [ 0.0002726500000000, -0.0008649300000000, 0.0000709400000000 ] - [ 0.0037872700000000, 0.0101704300000000, 0.0030442500000000 ] - [ -0.0012434600000000, -0.0004218600000000, 0.0012386700000000 ] - [ 0.0003009300000000, -0.0014177500000000, -0.0003760800000000 ] - [ 0.0004037900000000, 0.0023956200000000, -0.0008197900000000 ] - [ 0.0001588400000000, -0.0004408700000000, -0.0002842300000000 ] - [ 0.0018910500000000, 0.0010675900000000, -0.0006260800000000 ] - [ -0.0006577700000000, 0.0009706300000000, 0.0009412700000000 ] - [ 0.0008970100000000, 0.0000901500000000, -0.0000124600000000 ] - [ 0.0004784700000000, -0.0001490300000000, -0.0001400900000000 ] - [ 0.0006852700000000, -0.0001242800000000, -0.0001432900000000 ] - [ 0.0007354600000000, 0.0012249000000000, 0.0003218800000000 ] - [ 0.0018457100000000, -0.0006880600000000, 0.0003391300000000 ] - [ -0.0181926100000000, 0.0215600100000000, -0.0303588000000000 ] - [ -0.0001770400000000, -0.0001127100000000, -0.0002374900000000 ] - [ 0.0049021200000000, -0.0014247700000000, 0.0154838000000000 ] - [ 0.0008321400000000, -0.0005216300000000, 0.0002076200000000 ] - [ 0.0011016100000000, 0.0003571100000000, 0.0001534700000000 ] - [ 0.0013087100000000, -0.0010893400000000, -0.0011521000000000 ] - [ -0.0008636400000000, -0.0026112800000000, -0.0024995900000000 ] - [ -0.0002888700000000, 0.0017064900000000, -0.0002022000000000 ] - [ 0.0054213800000000, 0.0028767200000000, -0.0048781800000000 ] - [ -0.0000779300000000, 0.0008987900000000, 0.0000467600000000 ] - [ 0.0004814900000000, 0.0009472500000000, -0.0000139800000000 ] - [ -0.0018312900000000, -0.0008905900000000, -0.0006500300000000 ] - [ 0.0020853700000000, -0.0000825300000000, 0.0017144300000000 ] - [ 0.0012868000000000, -0.0004585000000000, -0.0004109000000000 ] - [ 0.0007422500000000, -0.0004664100000000, -0.0003927800000000 ] - [ 0.0003176900000000, -0.0018178400000000, 0.0002985700000000 ] - [ 0.0008916500000000, -0.0003708600000000, 0.0003283600000000 ] - [ -0.0006515700000000, -0.0017440900000000, -0.0004347200000000 ] - [ 0.0023120300000000, 0.0019128200000000, 0.0002512700000000 ] - [ -0.0024648200000000, -0.0010944100000000, 0.0022150100000000 ] - [ 0.0008849200000000, -0.0030768000000000, -0.0005753400000000 ] - [ 0.0007231600000000, -0.0011357300000000, -0.0003303100000000 ] - [ 0.0001106900000000, -0.0010065400000000, 0.0000206500000000 ] - [ 0.0012709400000000, -0.0024943000000000, 0.0004016100000000 ] - [ -0.0058604200000000, 0.0069632700000000, 0.0018540600000000 ] - [ 0.0029037800000000, -0.0020694800000000, 0.0002045300000000 ] - [ -0.0004318800000000, -0.0004971200000000, 0.0000180400000000 ] - [ -0.0741246300000000, 0.0352561100000000, 0.0429303600000000 ] - [ 0.0006206000000000, -0.0007920200000000, -0.0001374200000000 ] - [ 0.0143081800000000, -0.0031507000000000, 0.0012917800000000 ] - [ 0.0004487900000000, -0.0014126400000000, 0.0002138000000000 ] - [ 0.0019175400000000, -0.0004458000000000, 0.0009589500000000 ] - [ -0.0006454400000000, 0.0014295200000000, 0.0002828200000000 ] - [ -0.0000158600000000, -0.0005356500000000, 0.0007753100000000 ] - [ -0.0005857000000000, -0.0008287600000000, -0.0003950600000000 ] - [ -0.0010755500000000, 0.0008484400000000, 0.0000640300000000 ] - [ -0.0032980600000000, -0.0004540300000000, -0.0004622100000000 ] - [ 0.0010010800000000, 0.0013034100000000, 0.0001254700000000 ]- atom: 26 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0004609100000000, -0.0007054400000000, 0.0000253400000000 ] - [ 0.0002670500000000, -0.0008731900000000, 0.0000342400000000 ] - [ 0.0012114000000000, -0.0014126800000000, -0.0004560300000000 ] - [ -0.0008771800000000, -0.0005078100000000, -0.0000321000000000 ] - [ -0.0003597000000000, -0.0000105500000000, 0.0000017400000000 ] - [ 0.0008491200000000, 0.0000744000000000, 0.0002651600000000 ] - [ 0.0002595300000000, 0.0001501900000000, 0.0000552100000000 ] - [ -0.0003027000000000, -0.0007827500000000, 0.0002067200000000 ] - [ -0.0059145500000000, -0.0008268600000000, -0.0044491200000000 ] - [ -0.0002477400000000, -0.0000976800000000, 0.0002282700000000 ] - [ 0.0008215800000000, -0.0007137200000000, 0.0001074300000000 ] - [ -0.0048521400000000, 0.0011555800000000, 0.0028995000000000 ] - [ 0.0003400100000000, -0.0008399500000000, 0.0000802200000000 ] - [ 0.0011131300000000, 0.0004273500000000, -0.0001186000000000 ] - [ 0.0030814800000000, -0.0049091700000000, 0.0045810300000000 ] - [ 0.0005366200000000, -0.0007602400000000, 0.0002293700000000 ] - [ 0.0033929000000000, 0.0032481300000000, -0.0025484700000000 ] - [ 0.0011944400000000, 0.0004768400000000, 0.0005588100000000 ] - [ 0.0001791700000000, -0.0034562400000000, -0.0043012300000000 ] - [ 0.0006540300000000, 0.0034971300000000, 0.0010072300000000 ] - [ 0.0011798300000000, -0.0016243500000000, 0.0006427500000000 ] - [ 0.0001485100000000, 0.0000769700000000, 0.0000347800000000 ] - [ 0.0008513600000000, -0.0001058500000000, -0.0000879300000000 ] - [ -0.0008498000000000, -0.0003636800000000, 0.0001522500000000 ] - [ -0.0008402400000000, 0.0001234700000000, 0.0058064600000000 ] - [ -0.1503773600000000, 0.2518347100000000, 0.0065501000000000 ] - [ 0.0016785900000000, -0.0011534100000000, 0.0000554800000000 ] - [ 0.0005845300000000, 0.0025246900000000, -0.0037141400000000 ] - [ 0.0005172500000000, 0.0005070100000000, 0.0004468200000000 ] - [ -0.0009407500000000, -0.0019430900000000, -0.0000168100000000 ] - [ -0.0007588500000000, -0.0041152100000000, 0.0004747400000000 ] - [ 0.0034233000000000, -0.0033392900000000, -0.0004294700000000 ] - [ 0.0072733300000000, -0.0010455800000000, 0.0020031700000000 ] - [ -0.0027397300000000, 0.0005097500000000, -0.0001293900000000 ] - [ 0.0014864800000000, -0.0015479300000000, -0.0001597000000000 ] - [ -0.0006088000000000, -0.0004618200000000, -0.0000664300000000 ] - [ -0.0011655400000000, -0.0008516600000000, 0.0004453200000000 ] - [ 0.0002404200000000, -0.0017016500000000, -0.0003966600000000 ] - [ 0.0006164600000000, -0.0022605700000000, 0.0002284300000000 ] - [ 0.0015048600000000, 0.0015035100000000, 0.0001399800000000 ] - [ 0.0017379300000000, -0.0002893400000000, -0.0002021500000000 ] - [ 0.0008672400000000, 0.0002028800000000, -0.0001716200000000 ] - [ -0.0025862500000000, 0.0001817400000000, 0.0027549900000000 ] - [ 0.0021044200000000, -0.0012091800000000, 0.0001142300000000 ] - [ -0.0033488300000000, -0.0076195000000000, -0.0018741300000000 ] - [ -0.0023621500000000, 0.0022328700000000, -0.0000727100000000 ] - [ 0.0005106600000000, 0.0035554100000000, 0.0003692400000000 ] - [ 0.0004374700000000, -0.0016945700000000, -0.0002147400000000 ] - [ -0.0009485600000000, -0.0013736200000000, -0.0005158600000000 ] - [ -0.0059230000000000, 0.0069471000000000, 0.0055606900000000 ] - [ -0.0015741100000000, 0.0011450700000000, -0.0006728500000000 ] - [ 0.0028755800000000, -0.0008338400000000, 0.0001537600000000 ] - [ 0.0015488900000000, -0.0041552300000000, -0.0000350400000000 ] - [ 0.0013503300000000, -0.0027260100000000, 0.0001380800000000 ] - [ -0.0016391900000000, 0.0037768400000000, 0.0006171200000000 ] - [ 0.0006184300000000, -0.0015892500000000, -0.0006310700000000 ] - [ 0.0010832600000000, -0.0024232000000000, -0.0007758400000000 ] - [ -0.0005405800000000, -0.0014424000000000, -0.0001716800000000 ] - [ 0.0021021700000000, -0.0024140300000000, 0.0003646800000000 ] - [ -0.0016295500000000, -0.0037799000000000, -0.0016933800000000 ] - [ 0.0016514000000000, -0.0011481800000000, -0.0016061400000000 ] - [ -0.0121461300000000, -0.0099778800000000, -0.0012395800000000 ] - [ 0.0017043600000000, 0.0003592300000000, -0.0004012300000000 ] - [ 0.0012339100000000, 0.0002403100000000, -0.0005959600000000 ] - [ 0.0283043000000000, -0.0289390400000000, 0.0193118300000000 ] - [ 0.0005865100000000, -0.0000812100000000, 0.0001577400000000 ] - [ -0.0049858700000000, -0.0006739900000000, 0.0004793100000000 ] - [ -0.0004264700000000, 0.0003537200000000, 0.0003602300000000 ] - [ 0.0036123900000000, 0.0009365900000000, 0.0008355700000000 ] - [ 0.0240621600000000, 0.0099978000000000, -0.0036912500000000 ] - [ 0.0005079200000000, 0.0026514100000000, 0.0006518500000000 ] - [ -0.0005524100000000, -0.0018266300000000, 0.0009478400000000 ] - [ -0.0000039300000000, 0.0003736500000000, 0.0000570100000000 ] - [ -0.0007015900000000, 0.0002340300000000, 0.0000250100000000 ] - [ -0.0042805000000000, -0.0323353000000000, -0.0060188300000000 ] - [ -0.0009832000000000, 0.0014235800000000, 0.0000997000000000 ] - [ -0.0009999300000000, 0.0018251400000000, 0.0003908600000000 ] - [ 0.0006099300000000, 0.0005256500000000, -0.0001173100000000 ] - [ 0.0016665100000000, -0.0014962400000000, 0.0001089300000000 ] - [ 0.0035306600000000, 0.0021202800000000, -0.0007374900000000 ] - [ 0.0013681100000000, -0.0007373500000000, -0.0004766700000000 ] - [ -0.0009401900000000, 0.0013225000000000, 0.0002129900000000 ] - [ 0.0473378600000000, -0.1341335000000000, 0.0139989800000000 ] - [ -0.0015186800000000, 0.0011698500000000, -0.0006168100000000 ] - [ 0.0005859300000000, 0.0004662600000000, 0.0001603400000000 ] - [ -0.0010268900000000, 0.0017612000000000, 0.0002144600000000 ] - [ 0.0006242700000000, 0.0003627900000000, 0.0000508600000000 ] - [ -0.0004420500000000, -0.0000726400000000, -0.0001976200000000 ] - [ -0.0004931500000000, 0.0010119700000000, 0.0001825000000000 ] - [ 0.0005497100000000, -0.0011122000000000, -0.0006983000000000 ] - [ 0.0006059900000000, 0.0015807100000000, -0.0003960400000000 ] - [ -0.0021248700000000, 0.0005174800000000, 0.0000971000000000 ] - [ -0.0002042100000000, 0.0000384600000000, -0.0001528900000000 ] - [ -0.0003998200000000, 0.0015314600000000, 0.0000874200000000 ] - [ -0.0006548600000000, -0.0002063500000000, 0.0007196400000000 ] - [ -0.0005448000000000, 0.0014386400000000, 0.0001041900000000 ] - [ -0.0014057800000000, -0.0003406500000000, -0.0003503900000000 ] - [ 0.0010720400000000, 0.0003318200000000, -0.0000648800000000 ] - [ 0.0004144300000000, -0.0032044300000000, -0.0018266500000000 ] - [ 0.0005466700000000, 0.0003353600000000, -0.0003472600000000 ] - [ -0.0064179400000000, 0.0018875400000000, -0.0001316500000000 ] - [ 0.0004582800000000, 0.0008411700000000, 0.0001854200000000 ] - [ 0.0003599900000000, 0.0011532500000000, -0.0006569100000000 ] - [ -0.0008404900000000, 0.0011143400000000, 0.0005094900000000 ] - [ 0.0011921900000000, 0.0008337300000000, -0.0000732900000000 ] - [ -0.0013771100000000, -0.0000582800000000, 0.0003515400000000 ] - [ 0.0011974900000000, 0.0020648800000000, -0.0012566200000000 ] - [ -0.0005735100000000, 0.0017156400000000, 0.0003749000000000 ] - [ 0.0021979800000000, 0.0019616600000000, 0.0000810600000000 ] - [ -0.0020736700000000, 0.0109719100000000, -0.0018150600000000 ] - [ 0.0007199600000000, 0.0000267200000000, -0.0002139100000000 ] - [ 0.0006085700000000, 0.0006581200000000, 0.0001071900000000 ] - [ 0.0008486000000000, 0.0000230700000000, -0.0000817100000000 ] - [ 0.0019041000000000, -0.0013582400000000, -0.0010795500000000 ] - [ 0.0005944600000000, 0.0007904800000000, 0.0000740000000000 ] - [ -0.0010728800000000, -0.0003430500000000, 0.0001387300000000 ] - [ -0.0003619600000000, 0.0026822000000000, 0.0002806800000000 ] - [ -0.0004174100000000, 0.0010178500000000, -0.0001138400000000 ] - [ -0.0032556100000000, -0.0091767900000000, -0.0030277200000000 ] - [ 0.0013348300000000, 0.0002986000000000, 0.0003745700000000 ] - [ 0.0000487900000000, 0.0013483900000000, 0.0001137200000000 ] - [ -0.0004711500000000, -0.0025068100000000, 0.0008339700000000 ] - [ -0.0002479400000000, 0.0007404200000000, 0.0000048600000000 ] - [ -0.0004241600000000, -0.0003205300000000, -0.0000741400000000 ] - [ 0.0005918900000000, -0.0011050500000000, 0.0006676700000000 ] - [ -0.0001037400000000, -0.0005230900000000, 0.0000720500000000 ] - [ -0.0010002200000000, -0.0008439400000000, 0.0001564200000000 ] - [ -0.0005664600000000, -0.0006007200000000, 0.0001188800000000 ] - [ -0.0013952200000000, -0.0006165700000000, -0.0000760400000000 ] - [ -0.0010655000000000, 0.0011515600000000, -0.0002759500000000 ] - [ 0.0182895500000000, -0.0214907600000000, 0.0296568000000000 ] - [ 0.0005509100000000, 0.0002346200000000, -0.0002011900000000 ] - [ -0.0048253300000000, 0.0015352400000000, -0.0138161200000000 ] - [ -0.0010400100000000, 0.0004773600000000, -0.0002530600000000 ] - [ -0.0010297600000000, -0.0002420600000000, -0.0001365300000000 ] - [ -0.0011575300000000, 0.0007786100000000, 0.0010330000000000 ] - [ 0.0004848400000000, 0.0024854700000000, 0.0020612900000000 ] - [ 0.0003576800000000, -0.0018317600000000, 0.0002197800000000 ] - [ -0.0055289700000000, -0.0028785100000000, 0.0064599600000000 ] - [ -0.0001432000000000, -0.0003894200000000, 0.0000637400000000 ] - [ -0.0007782300000000, -0.0006795400000000, -0.0004273100000000 ] - [ 0.0019650400000000, 0.0008836200000000, 0.0006672400000000 ] - [ -0.0024196300000000, 0.0001033900000000, -0.0018310800000000 ] - [ -0.0016300900000000, 0.0005291000000000, 0.0001478000000000 ] - [ -0.0008274500000000, 0.0000806200000000, -0.0000485100000000 ] - [ 0.0003453800000000, 0.0013941300000000, -0.0000567900000000 ] - [ -0.0008575800000000, 0.0010532700000000, -0.0001625500000000 ] - [ 0.0008750100000000, 0.0020036000000000, 0.0001695200000000 ] - [ -0.0028614100000000, -0.0018548600000000, -0.0001425700000000 ] - [ 0.0028145600000000, 0.0010422900000000, -0.0023218100000000 ] - [ -0.0014452400000000, 0.0028968900000000, 0.0004610400000000 ] - [ -0.0007931000000000, 0.0006529900000000, -0.0000061500000000 ] - [ 0.0004607800000000, 0.0014957600000000, -0.0000514400000000 ] - [ -0.0011814500000000, 0.0022001000000000, -0.0006808500000000 ] - [ 0.0057576100000000, -0.0068008300000000, -0.0018314700000000 ] - [ -0.0027833000000000, 0.0026363200000000, -0.0003277900000000 ] - [ 0.0002918100000000, 0.0005018500000000, -0.0000006100000000 ] - [ 0.0770883800000000, -0.0356024700000000, -0.0451972000000000 ] - [ -0.0010650200000000, 0.0011806300000000, 0.0000194300000000 ] - [ -0.0135455500000000, 0.0028612000000000, -0.0013097400000000 ] - [ -0.0006680500000000, 0.0011611200000000, -0.0004805200000000 ] - [ -0.0019367800000000, -0.0003479400000000, -0.0007118300000000 ] - [ 0.0000092500000000, -0.0004532500000000, -0.0002478800000000 ] - [ -0.0000771200000000, 0.0006614900000000, 0.0008384000000000 ] - [ 0.0004883000000000, -0.0008169500000000, -0.0003043200000000 ] - [ 0.0024567800000000, -0.0017462900000000, -0.0007645300000000 ] - [ 0.0032923500000000, 0.0012110800000000, 0.0007084300000000 ] - [ -0.0018588700000000, -0.0015700900000000, 0.0001214500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000104800000000, 0.0000767400000000, 0.0000372100000000 ] - [ 0.0000175000000000, -0.0000013900000000, 0.0001456500000000 ] - [ -0.0000227300000000, 0.0001768500000000, -0.0000499100000000 ] - [ -0.0000397900000000, 0.0000488700000000, 0.0006608200000000 ] - [ -0.0001681600000000, -0.0001787100000000, 0.0001286200000000 ] - [ 0.0000370700000000, -0.0000444500000000, 0.0002893700000000 ] - [ -0.0000536500000000, 0.0000179600000000, 0.0001398600000000 ] - [ 0.0000292800000000, 0.0000055300000000, 0.0001841500000000 ] - [ 0.0028171400000000, 0.0064894000000000, -0.0001862300000000 ] - [ 0.0000619800000000, -0.0001086400000000, 0.0001541900000000 ] - [ 0.0002209500000000, 0.0001500600000000, -0.0001352800000000 ] - [ -0.0010277400000000, -0.0030343500000000, 0.0029534400000000 ] - [ 0.0000320200000000, -0.0000799700000000, -0.0000204900000000 ] - [ -0.0004281200000000, -0.0000940500000000, 0.0004716200000000 ] - [ 0.0032017800000000, -0.0046319600000000, -0.0011552900000000 ] - [ -0.0000373300000000, 0.0001727800000000, 0.0003123800000000 ] - [ -0.0038876500000000, 0.0002075600000000, -0.0009192300000000 ] - [ 0.0001625900000000, -0.0000334200000000, -0.0005326100000000 ] - [ -0.0006621300000000, 0.0041339200000000, 0.0044436700000000 ] - [ 0.0024329400000000, 0.0003857700000000, 0.0030220900000000 ] - [ 0.0002117000000000, -0.0001700900000000, 0.0002293600000000 ] - [ -0.0000964000000000, 0.0000042600000000, -0.0000539200000000 ] - [ -0.0000698400000000, -0.0001760100000000, -0.0000710900000000 ] - [ -0.0002772500000000, -0.0000613600000000, -0.0002004700000000 ] - [ -0.0019223900000000, 0.0044913800000000, 0.0065783600000000 ] - [ -0.0040740600000000, -0.0046842900000000, -0.2806769700000000 ] - [ 0.0005847400000000, -0.0006618700000000, -0.0001431800000000 ] - [ 0.0065827100000000, 0.0002466500000000, 0.0065589000000000 ] - [ 0.0001372100000000, -0.0001072800000000, 0.0002846900000000 ] - [ -0.0002848100000000, -0.0010617100000000, 0.0001452100000000 ] - [ -0.0012756300000000, 0.0003757800000000, -0.0017415700000000 ] - [ -0.0012103500000000, 0.0029812300000000, 0.0010350800000000 ] - [ 0.0007777900000000, -0.0002315200000000, 0.0006484900000000 ] - [ -0.0003290300000000, 0.0006194800000000, 0.0002962400000000 ] - [ 0.0001372000000000, 0.0009228400000000, -0.0001571900000000 ] - [ -0.0003987000000000, -0.0001567500000000, 0.0002091900000000 ] - [ -0.0000221400000000, -0.0000109000000000, 0.0004584400000000 ] - [ -0.0004955400000000, 0.0003574900000000, 0.0004978200000000 ] - [ -0.0000635800000000, 0.0002251200000000, 0.0003258400000000 ] - [ -0.0002875100000000, -0.0002304900000000, 0.0003129900000000 ] - [ 0.0001465800000000, 0.0002257200000000, 0.0002112200000000 ] - [ -0.0007974100000000, -0.0003214300000000, -0.0004039400000000 ] - [ -0.0045697400000000, -0.0054583500000000, 0.0009609300000000 ] - [ 0.0007022100000000, 0.0004027300000000, 0.0000924200000000 ] - [ -0.0001745400000000, -0.0007214000000000, -0.0010110600000000 ] - [ 0.0011703800000000, 0.0005071400000000, -0.0013903800000000 ] - [ -0.0009496300000000, -0.0018505600000000, -0.0010065700000000 ] - [ 0.0004591000000000, -0.0002137100000000, -0.0003251400000000 ] - [ 0.0001139400000000, -0.0004992900000000, -0.0004106900000000 ] - [ -0.0038478900000000, 0.0024345400000000, 0.0491153700000000 ] - [ -0.0014462800000000, 0.0000760200000000, -0.0009448700000000 ] - [ -0.0000079100000000, -0.0004478200000000, 0.0005588700000000 ] - [ 0.0002661700000000, 0.0003030300000000, 0.0002558000000000 ] - [ -0.0000242800000000, -0.0004516900000000, 0.0001184800000000 ] - [ 0.0003147600000000, 0.0016312300000000, 0.0001553200000000 ] - [ 0.0002956500000000, 0.0000345900000000, -0.0007079500000000 ] - [ -0.0001074800000000, 0.0005469200000000, -0.0007362400000000 ] - [ 0.0001192100000000, 0.0004723900000000, 0.0003252700000000 ] - [ -0.0003099400000000, -0.0002181000000000, 0.0002640400000000 ] - [ -0.0003879100000000, 0.0004702300000000, -0.0000646500000000 ] - [ 0.0008527700000000, -0.0007888800000000, 0.0015794800000000 ] - [ 0.0002356200000000, 0.0067173800000000, -0.0100737600000000 ] - [ 0.0000461600000000, -0.0003822100000000, -0.0008636400000000 ] - [ -0.0004391300000000, -0.0003113300000000, -0.0007373000000000 ] - [ 0.0059906800000000, -0.0091543000000000, 0.0020553100000000 ] - [ -0.0003729100000000, 0.0001741700000000, 0.0001213400000000 ] - [ -0.0000095300000000, -0.0004220500000000, -0.0006724400000000 ] - [ 0.0002986100000000, 0.0010006900000000, 0.0004804300000000 ] - [ -0.0006446200000000, 0.0005196500000000, 0.0005171300000000 ] - [ -0.0207540000000000, -0.0060742600000000, 0.0009436200000000 ] - [ -0.0005841600000000, -0.0004498700000000, 0.0004395300000000 ] - [ 0.0010506500000000, -0.0010013300000000, 0.0006290400000000 ] - [ 0.0003241600000000, 0.0002000000000000, 0.0001662800000000 ] - [ -0.0019812900000000, 0.0012569300000000, -0.0018109000000000 ] - [ 0.0281770800000000, 0.0236542000000000, 0.0320945300000000 ] - [ -0.0008161000000000, 0.0005348800000000, -0.0005260500000000 ] - [ 0.0000183000000000, 0.0000263800000000, -0.0000491900000000 ] - [ 0.0001036800000000, 0.0001518000000000, -0.0001894500000000 ] - [ 0.0000254700000000, 0.0009580800000000, -0.0001839600000000 ] - [ -0.0005136900000000, 0.0000709800000000, 0.0005746900000000 ] - [ 0.0015001900000000, 0.0006131600000000, -0.0004339900000000 ] - [ -0.0002813800000000, 0.0001664400000000, 0.0001803800000000 ] - [ 0.0043125800000000, -0.0143435900000000, 0.0206641600000000 ] - [ -0.0004917000000000, 0.0002978500000000, -0.0002991100000000 ] - [ 0.0002980500000000, -0.0001880500000000, -0.0000726700000000 ] - [ 0.0000005500000000, 0.0004476000000000, 0.0000770800000000 ] - [ 0.0006483700000000, 0.0000131500000000, -0.0000208500000000 ] - [ -0.0000272800000000, 0.0002252200000000, 0.0001850400000000 ] - [ -0.0000807900000000, -0.0002177800000000, 0.0000879200000000 ] - [ -0.0002850700000000, 0.0003616400000000, 0.0006975900000000 ] - [ 0.0000080100000000, 0.0005718300000000, -0.0001596200000000 ] - [ 0.0007587700000000, -0.0008297600000000, -0.0000015300000000 ] - [ 0.0002775600000000, 0.0001627500000000, -0.0000564200000000 ] - [ 0.0001975200000000, -0.0002729300000000, 0.0001849800000000 ] - [ 0.0001759600000000, 0.0000270300000000, 0.0009516300000000 ] - [ -0.0000420300000000, -0.0001002800000000, -0.0000215100000000 ] - [ 0.0000708200000000, 0.0001681800000000, -0.0001269300000000 ] - [ 0.0002082600000000, -0.0001772400000000, -0.0000820500000000 ] - [ -0.0072510200000000, -0.0031369500000000, -0.0135493600000000 ] - [ 0.0000016400000000, 0.0011955300000000, -0.0003154900000000 ] - [ 0.0072093600000000, -0.0021797100000000, 0.0017613200000000 ] - [ 0.0001361800000000, 0.0004556500000000, 0.0000840700000000 ] - [ 0.0002173900000000, 0.0004617200000000, 0.0006080500000000 ] - [ -0.0003139300000000, -0.0002769700000000, -0.0001984600000000 ] - [ -0.0003101000000000, -0.0000887000000000, 0.0000134600000000 ] - [ -0.0002413800000000, -0.0002109800000000, -0.0001060500000000 ] - [ 0.0000163300000000, -0.0008786500000000, -0.0013972800000000 ] - [ 0.0000352300000000, -0.0006793700000000, 0.0000321300000000 ] - [ -0.0000624400000000, -0.0038413600000000, 0.0016202000000000 ] - [ -0.0001693500000000, 0.0012316800000000, -0.0006392000000000 ] - [ 0.0006031700000000, 0.0004322100000000, -0.0001729500000000 ] - [ 0.0001644600000000, 0.0001592400000000, 0.0000587400000000 ] - [ 0.0000619600000000, -0.0003928300000000, -0.0000085600000000 ] - [ 0.0044198700000000, 0.0070893900000000, -0.0110374400000000 ] - [ -0.0004119400000000, 0.0001335200000000, 0.0000804600000000 ] - [ -0.0001964000000000, -0.0001348600000000, 0.0001804700000000 ] - [ -0.0000815200000000, -0.0003226300000000, 0.0002613200000000 ] - [ -0.0000725500000000, 0.0000913800000000, -0.0000410200000000 ] - [ 0.0042633500000000, 0.0061043300000000, 0.0037653900000000 ] - [ 0.0000312600000000, 0.0001130700000000, 0.0005546800000000 ] - [ -0.0001695200000000, 0.0000518600000000, -0.0008663600000000 ] - [ -0.0016186300000000, -0.0007569900000000, -0.0006753800000000 ] - [ -0.0000385600000000, 0.0002461800000000, -0.0001611000000000 ] - [ 0.0007453400000000, 0.0004047500000000, -0.0003236300000000 ] - [ 0.0003517700000000, 0.0001898400000000, 0.0015307000000000 ] - [ 0.0005461100000000, -0.0000300700000000, 0.0000643000000000 ] - [ -0.0002219000000000, -0.0004932700000000, -0.0000353200000000 ] - [ 0.0001151900000000, -0.0003029900000000, -0.0000747900000000 ] - [ 0.0003892800000000, 0.0006725600000000, 0.0002675300000000 ] - [ 0.0007448500000000, 0.0000371600000000, -0.0000616400000000 ] - [ 0.0305601400000000, -0.0179676700000000, 0.1428662500000000 ] - [ 0.0001835500000000, 0.0000357700000000, -0.0003954200000000 ] - [ -0.0010160000000000, 0.0023110300000000, -0.0030280700000000 ] - [ -0.0000554900000000, -0.0000220000000000, -0.0000190500000000 ] - [ 0.0003083300000000, 0.0000233600000000, 0.0000201600000000 ] - [ 0.0003055300000000, -0.0005675500000000, -0.0018499800000000 ] - [ 0.0000465200000000, -0.0003963000000000, 0.0004889800000000 ] - [ -0.0004791400000000, 0.0000689000000000, 0.0001554200000000 ] - [ 0.0026950100000000, 0.0010883000000000, -0.0052775600000000 ] - [ -0.0004833700000000, 0.0000736200000000, -0.0000241100000000 ] - [ -0.0001245000000000, 0.0001852200000000, -0.0004917300000000 ] - [ -0.0001122700000000, -0.0003915100000000, -0.0000845800000000 ] - [ -0.0003218000000000, 0.0000982300000000, -0.0008876200000000 ] - [ -0.0001690000000000, 0.0000636200000000, -0.0001155900000000 ] - [ 0.0000640800000000, -0.0002453000000000, -0.0004670300000000 ] - [ 0.0003312900000000, -0.0002955000000000, 0.0001610000000000 ] - [ 0.0000272500000000, 0.0003506500000000, -0.0000322100000000 ] - [ 0.0000720100000000, -0.0001862700000000, 0.0000899900000000 ] - [ -0.0004159200000000, 0.0000514800000000, 0.0001328800000000 ] - [ 0.0026061600000000, 0.0011357300000000, 0.0069441400000000 ] - [ -0.0004246500000000, -0.0010837700000000, 0.0006834900000000 ] - [ -0.0000171600000000, -0.0002984300000000, -0.0001786300000000 ] - [ 0.0002728300000000, 0.0001328800000000, -0.0000180100000000 ] - [ 0.0001204800000000, -0.0003847700000000, -0.0000468100000000 ] - [ 0.0077701800000000, -0.0078819500000000, -0.0107838700000000 ] - [ -0.0001324500000000, 0.0004612800000000, -0.0000722800000000 ] - [ -0.0000463100000000, -0.0000604200000000, -0.0000195500000000 ] - [ -0.0572170900000000, 0.0162657000000000, 0.0557872000000000 ] - [ -0.0002096100000000, 0.0001414100000000, -0.0000772700000000 ] - [ -0.0018638600000000, 0.0003176800000000, 0.0004258300000000 ] - [ -0.0001012700000000, -0.0001572300000000, -0.0001706300000000 ] - [ 0.0014012000000000, -0.0014873400000000, -0.0007487600000000 ] - [ 0.0000980000000000, 0.0003865400000000, -0.0001394500000000 ] - [ -0.0000276900000000, 0.0000145400000000, 0.0008928100000000 ] - [ -0.0002910300000000, -0.0009323100000000, -0.0002542500000000 ] - [ 0.0003797100000000, -0.0008067700000000, -0.0008360300000000 ] - [ -0.0022627900000000, -0.0020849000000000, 0.0006792400000000 ] - [ 0.0001149300000000, -0.0001584500000000, -0.0003129500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000441200000000, -0.0000445000000000, 0.0001878500000000 ] - [ -0.0000184400000000, 0.0000008700000000, -0.0000240100000000 ] - [ 0.0001393000000000, -0.0000224900000000, 0.0005052500000000 ] - [ -0.0000765500000000, -0.0002013500000000, -0.0001995400000000 ] - [ -0.0001304100000000, -0.0000183700000000, -0.0000940300000000 ] - [ 0.0001548300000000, 0.0000215200000000, 0.0001701700000000 ] - [ 0.0000540700000000, -0.0000172000000000, -0.0000276500000000 ] - [ 0.0000252400000000, -0.0000369900000000, 0.0000422100000000 ] - [ -0.0028016400000000, -0.0064679500000000, 0.0002759300000000 ] - [ 0.0000143700000000, -0.0000669300000000, 0.0003044700000000 ] - [ 0.0000765700000000, 0.0000489100000000, 0.0001686400000000 ] - [ 0.0010476600000000, 0.0030632900000000, -0.0028908700000000 ] - [ -0.0000313400000000, 0.0000808100000000, 0.0001410700000000 ] - [ 0.0003727500000000, 0.0000638800000000, -0.0002450000000000 ] - [ -0.0033911300000000, 0.0046535300000000, 0.0015981100000000 ] - [ -0.0000379300000000, 0.0000031600000000, 0.0001475400000000 ] - [ 0.0038731900000000, -0.0002692300000000, 0.0011244000000000 ] - [ -0.0001091900000000, 0.0000640100000000, 0.0007554300000000 ] - [ 0.0006551700000000, -0.0038111800000000, -0.0044097300000000 ] - [ -0.0024632000000000, -0.0003337100000000, -0.0027916100000000 ] - [ 0.0001092800000000, 0.0000098600000000, -0.0001911400000000 ] - [ 0.0000954000000000, -0.0000056700000000, 0.0001119500000000 ] - [ 0.0000929500000000, -0.0001819500000000, 0.0001044100000000 ] - [ -0.0000451800000000, 0.0002216300000000, 0.0002344600000000 ] - [ 0.0017576400000000, -0.0057212400000000, -0.0070819600000000 ] - [ -0.0012839400000000, 0.0079789400000000, 0.2709388900000000 ] - [ 0.0007082100000000, -0.0004510800000000, 0.0000331900000000 ] - [ -0.0053769200000000, 0.0002737300000000, -0.0070476800000000 ] - [ -0.0001572000000000, 0.0001473100000000, 0.0005169300000000 ] - [ -0.0000419800000000, -0.0006026400000000, -0.0002526700000000 ] - [ -0.0003375100000000, -0.0009220600000000, 0.0016294200000000 ] - [ 0.0012239400000000, -0.0030098300000000, -0.0002264800000000 ] - [ -0.0008180500000000, 0.0002363600000000, 0.0001655900000000 ] - [ -0.0007137300000000, 0.0001514200000000, -0.0007928800000000 ] - [ 0.0001885900000000, 0.0007420000000000, 0.0000480100000000 ] - [ -0.0000281100000000, 0.0000833600000000, -0.0002505000000000 ] - [ 0.0000371600000000, 0.0000533200000000, 0.0003417000000000 ] - [ -0.0007950400000000, 0.0007546900000000, -0.0006061100000000 ] - [ 0.0000483300000000, -0.0002652400000000, 0.0004723700000000 ] - [ 0.0005542400000000, -0.0001174900000000, -0.0003592800000000 ] - [ 0.0000191200000000, 0.0001894900000000, -0.0002487200000000 ] - [ -0.0003821700000000, -0.0002018800000000, -0.0000954900000000 ] - [ 0.0045958000000000, 0.0054242500000000, -0.0001558400000000 ] - [ 0.0009063600000000, 0.0001549400000000, -0.0001950400000000 ] - [ 0.0005985800000000, 0.0007813300000000, 0.0009606700000000 ] - [ -0.0010102600000000, 0.0007717900000000, 0.0008832100000000 ] - [ 0.0007787700000000, 0.0014271600000000, 0.0009645000000000 ] - [ 0.0005865200000000, -0.0005543900000000, -0.0001734300000000 ] - [ 0.0001516900000000, -0.0005347300000000, -0.0007243400000000 ] - [ 0.0056578800000000, -0.0021557100000000, -0.0481618400000000 ] - [ 0.0012317800000000, 0.0005517600000000, -0.0003358400000000 ] - [ 0.0011628400000000, -0.0007936600000000, 0.0001128000000000 ] - [ 0.0004051300000000, -0.0008410400000000, 0.0001095100000000 ] - [ -0.0001171400000000, -0.0003772900000000, 0.0002329100000000 ] - [ -0.0014689800000000, -0.0003867600000000, 0.0005117200000000 ] - [ 0.0004143600000000, -0.0001632300000000, -0.0005594200000000 ] - [ -0.0001565700000000, 0.0004866200000000, -0.0004017900000000 ] - [ 0.0000223200000000, 0.0003588300000000, 0.0000291400000000 ] - [ -0.0004592400000000, -0.0000881400000000, 0.0000883600000000 ] - [ -0.0001161400000000, -0.0020705900000000, 0.0007252400000000 ] - [ -0.0019010800000000, 0.0010711300000000, -0.0027128400000000 ] - [ -0.0009466600000000, -0.0074230700000000, 0.0088874100000000 ] - [ 0.0010038400000000, 0.0000965200000000, -0.0002760200000000 ] - [ 0.0000138000000000, -0.0002482300000000, -0.0005344800000000 ] - [ -0.0057727300000000, 0.0085198000000000, -0.0031899500000000 ] - [ -0.0003003500000000, 0.0003674100000000, 0.0002404100000000 ] - [ -0.0007014300000000, 0.0005491300000000, -0.0005893000000000 ] - [ 0.0002077700000000, 0.0006175100000000, 0.0001930900000000 ] - [ 0.0013762500000000, 0.0002461900000000, -0.0016498700000000 ] - [ 0.0211950500000000, 0.0065981100000000, -0.0021874800000000 ] - [ -0.0010714500000000, 0.0000812700000000, 0.0002378800000000 ] - [ -0.0002779700000000, 0.0013012200000000, -0.0002824800000000 ] - [ 0.0002888700000000, 0.0001035300000000, 0.0000096100000000 ] - [ 0.0026948600000000, -0.0008978800000000, 0.0020656700000000 ] - [ -0.0274653500000000, -0.0235172900000000, -0.0314852000000000 ] - [ 0.0000281500000000, -0.0000863900000000, 0.0005957300000000 ] - [ 0.0001406800000000, -0.0001806900000000, 0.0000055100000000 ] - [ 0.0000830800000000, 0.0001292100000000, 0.0000693500000000 ] - [ 0.0000393200000000, -0.0004673900000000, -0.0001545900000000 ] - [ -0.0005782000000000, -0.0001119600000000, -0.0005707200000000 ] - [ -0.0022060000000000, -0.0003547600000000, 0.0003912400000000 ] - [ -0.0002886300000000, 0.0002126300000000, -0.0000076300000000 ] - [ -0.0034170900000000, 0.0126769500000000, -0.0203386100000000 ] - [ -0.0009009700000000, 0.0006001800000000, -0.0004102000000000 ] - [ 0.0002725500000000, -0.0001911400000000, 0.0002438700000000 ] - [ -0.0000219000000000, 0.0004598300000000, -0.0000067300000000 ] - [ 0.0004469100000000, 0.0000336800000000, 0.0000255100000000 ] - [ -0.0001267800000000, 0.0000787500000000, -0.0003046300000000 ] - [ -0.0001061100000000, -0.0000637300000000, -0.0002062900000000 ] - [ 0.0003705300000000, 0.0000154900000000, -0.0011262000000000 ] - [ 0.0000481500000000, -0.0003590900000000, 0.0001170900000000 ] - [ -0.0005320800000000, 0.0003260700000000, 0.0000993000000000 ] - [ 0.0002648800000000, 0.0000235100000000, -0.0000728000000000 ] - [ 0.0000203300000000, 0.0003238300000000, -0.0002303300000000 ] - [ -0.0000236700000000, -0.0000052100000000, 0.0006635300000000 ] - [ -0.0000139400000000, -0.0001128800000000, -0.0000209900000000 ] - [ -0.0004515900000000, 0.0001271200000000, -0.0002028700000000 ] - [ 0.0002271300000000, -0.0002054800000000, -0.0000448400000000 ] - [ 0.0057628800000000, 0.0024197200000000, 0.0128933800000000 ] - [ -0.0001134500000000, -0.0017507000000000, 0.0001821600000000 ] - [ -0.0072938900000000, 0.0028939500000000, -0.0017814500000000 ] - [ 0.0000706700000000, 0.0004207700000000, 0.0001750200000000 ] - [ -0.0002599900000000, -0.0011433700000000, -0.0004310600000000 ] - [ -0.0002982100000000, -0.0000273800000000, 0.0003712400000000 ] - [ -0.0002588100000000, -0.0003991100000000, -0.0000545700000000 ] - [ 0.0008987300000000, -0.0004021900000000, 0.0003608400000000 ] - [ 0.0000647300000000, 0.0025085000000000, 0.0006942500000000 ] - [ -0.0003478100000000, 0.0002191700000000, 0.0000645500000000 ] - [ -0.0007217700000000, 0.0033544400000000, -0.0015453000000000 ] - [ -0.0002983600000000, -0.0013929700000000, 0.0002779200000000 ] - [ -0.0001473400000000, -0.0002387800000000, -0.0001630800000000 ] - [ 0.0001489400000000, 0.0002949300000000, 0.0000360900000000 ] - [ -0.0000406800000000, -0.0005146900000000, 0.0000781300000000 ] - [ -0.0038887900000000, -0.0071291100000000, 0.0111536900000000 ] - [ -0.0002537200000000, 0.0002978000000000, 0.0001698900000000 ] - [ -0.0005225100000000, -0.0002187300000000, 0.0000745200000000 ] - [ -0.0001247500000000, -0.0005500000000000, -0.0000020800000000 ] - [ -0.0000853300000000, 0.0000617300000000, -0.0000017700000000 ] - [ -0.0037221500000000, -0.0051108700000000, -0.0037564200000000 ] - [ 0.0000690100000000, -0.0002406500000000, 0.0010620400000000 ] - [ 0.0005125600000000, -0.0001163900000000, 0.0006024300000000 ] - [ 0.0015410400000000, 0.0006422100000000, 0.0006912500000000 ] - [ -0.0000525400000000, 0.0000501900000000, -0.0001218200000000 ] - [ 0.0007244200000000, 0.0003474600000000, -0.0003836800000000 ] - [ -0.0004100700000000, -0.0003327500000000, 0.0000876000000000 ] - [ 0.0002427400000000, -0.0004168700000000, 0.0000062900000000 ] - [ -0.0003054900000000, -0.0004919500000000, 0.0000428400000000 ] - [ 0.0000037800000000, -0.0004180200000000, 0.0000404700000000 ] - [ -0.0010445800000000, -0.0000589800000000, -0.0000118000000000 ] - [ 0.0000482100000000, 0.0004155400000000, 0.0001352000000000 ] - [ -0.0277852400000000, 0.0162489700000000, -0.1338876900000000 ] - [ 0.0001851000000000, 0.0000798700000000, -0.0000386400000000 ] - [ 0.0010955500000000, -0.0022176600000000, 0.0045951800000000 ] - [ -0.0001615700000000, -0.0000324900000000, -0.0000251800000000 ] - [ -0.0002367300000000, 0.0000902500000000, -0.0000041300000000 ] - [ -0.0001510800000000, 0.0002621800000000, 0.0017214500000000 ] - [ -0.0004152100000000, 0.0002802500000000, -0.0009116300000000 ] - [ 0.0005492300000000, -0.0001943200000000, -0.0001409200000000 ] - [ -0.0028394900000000, -0.0010967600000000, 0.0068593500000000 ] - [ 0.0002569600000000, 0.0004271200000000, 0.0001218500000000 ] - [ -0.0001617500000000, 0.0000789200000000, 0.0000529600000000 ] - [ 0.0002436800000000, 0.0003817800000000, 0.0001027600000000 ] - [ -0.0000131400000000, -0.0000817300000000, 0.0007557300000000 ] - [ -0.0001757800000000, 0.0000040800000000, -0.0001492800000000 ] - [ -0.0001505200000000, -0.0001315800000000, 0.0000303700000000 ] - [ 0.0003348600000000, -0.0001371500000000, 0.0000904400000000 ] - [ 0.0000158000000000, 0.0003315900000000, 0.0002023100000000 ] - [ 0.0001431000000000, 0.0004342800000000, -0.0003580100000000 ] - [ -0.0001369700000000, -0.0000028500000000, -0.0000379200000000 ] - [ -0.0022558500000000, -0.0011396800000000, -0.0070234700000000 ] - [ -0.0001166500000000, 0.0008937600000000, -0.0008122300000000 ] - [ -0.0000474200000000, -0.0001890000000000, -0.0001574600000000 ] - [ 0.0002965600000000, 0.0003560700000000, -0.0000232000000000 ] - [ -0.0000273500000000, 0.0000868500000000, -0.0002351700000000 ] - [ -0.0078198000000000, 0.0079742600000000, 0.0107445400000000 ] - [ 0.0002421000000000, 0.0001046500000000, -0.0000619200000000 ] - [ -0.0000888400000000, 0.0000647400000000, 0.0000360200000000 ] - [ 0.0598677500000000, -0.0171548100000000, -0.0568130000000000 ] - [ -0.0002257000000000, 0.0002407000000000, -0.0000492200000000 ] - [ 0.0025424300000000, -0.0005583200000000, -0.0004856300000000 ] - [ -0.0001144800000000, -0.0000948900000000, -0.0000991700000000 ] - [ -0.0014111300000000, 0.0006801500000000, 0.0010039400000000 ] - [ -0.0007200000000000, 0.0005900700000000, 0.0001666300000000 ] - [ -0.0000738500000000, 0.0001124400000000, 0.0007277600000000 ] - [ 0.0001996200000000, -0.0007190400000000, -0.0004528400000000 ] - [ 0.0010064000000000, -0.0000953100000000, 0.0001287900000000 ] - [ 0.0022562700000000, 0.0028547100000000, -0.0004229300000000 ] - [ -0.0009704600000000, -0.0001031200000000, 0.0005695200000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0009029000000000, -0.0002297300000000, 0.0000496300000000 ] - [ -0.0023364700000000, 0.0023713700000000, -0.0013509700000000 ] - [ 0.0021186700000000, -0.0000139400000000, 0.0010784400000000 ] - [ -0.0001063600000000, -0.0008345900000000, 0.0003560600000000 ] - [ 0.0026160600000000, -0.0003465700000000, 0.0041335900000000 ] - [ -0.0041480100000000, -0.0025186100000000, -0.0011922200000000 ] - [ -0.0001779300000000, -0.0002376200000000, 0.0000736400000000 ] - [ 0.0008916800000000, -0.0001638400000000, 0.0001284800000000 ] - [ 0.0010394500000000, 0.0001125500000000, 0.0000134900000000 ] - [ 0.0070006100000000, -0.0013237300000000, -0.0046651200000000 ] - [ 0.0005162200000000, 0.0008493100000000, 0.0001007600000000 ] - [ 0.0010262900000000, 0.0001881500000000, 0.0000739100000000 ] - [ -0.0014761900000000, 0.0061775700000000, 0.0038020100000000 ] - [ 0.0000897800000000, 0.0011901600000000, 0.0005690500000000 ] - [ -0.0000708700000000, 0.0003403800000000, 0.0002448600000000 ] - [ 0.0004121100000000, 0.0008244800000000, 0.0001594900000000 ] - [ 0.0004457900000000, -0.0007882900000000, 0.0002304400000000 ] - [ 0.0002319000000000, 0.0010650900000000, -0.0001015600000000 ] - [ -0.0000247600000000, 0.0004053600000000, 0.0000227900000000 ] - [ 0.0003097400000000, -0.0006228600000000, 0.0000627800000000 ] - [ 0.0018987900000000, 0.0000267900000000, -0.0005347800000000 ] - [ -0.0001680100000000, -0.0001043700000000, 0.0000057700000000 ] - [ -0.0012872600000000, -0.0057864400000000, 0.0037012300000000 ] - [ -0.0001189000000000, -0.0008889600000000, -0.0002634700000000 ] - [ 0.0020748500000000, -0.0011505100000000, -0.0004277500000000 ] - [ 0.0009661500000000, -0.0003865700000000, -0.0000889100000000 ] - [ -0.2936904800000000, 0.0047684800000000, -0.0003595100000000 ] - [ 0.0018404800000000, 0.0014946000000000, -0.0003013800000000 ] - [ -0.0020105400000000, 0.0013514100000000, -0.0036391800000000 ] - [ -0.0018235900000000, -0.0027426600000000, 0.0006154300000000 ] - [ -0.0034528100000000, -0.0013351900000000, -0.0002128000000000 ] - [ 0.0003841300000000, 0.0014994700000000, 0.0004170500000000 ] - [ 0.0034178500000000, -0.0065211700000000, -0.0011218000000000 ] - [ 0.0018909300000000, 0.0002514400000000, 0.0000917300000000 ] - [ 0.0053865700000000, 0.0064306100000000, 0.0024483900000000 ] - [ 0.0003628100000000, -0.0012469000000000, 0.0001124100000000 ] - [ 0.0038540600000000, -0.0019606700000000, 0.0013038900000000 ] - [ -0.0012793500000000, 0.0025908900000000, -0.0000735600000000 ] - [ 0.0019200100000000, 0.0003838100000000, 0.0006075700000000 ] - [ -0.0010746900000000, -0.0018933500000000, -0.0001764900000000 ] - [ 0.0000869100000000, 0.0009435100000000, 0.0000338600000000 ] - [ -0.0031885900000000, 0.0026858500000000, -0.0008214500000000 ] - [ 0.0001650000000000, -0.0004595100000000, 0.0003845800000000 ] - [ -0.0001892400000000, 0.0017899900000000, -0.0056543500000000 ] - [ 0.0029329900000000, -0.0000790300000000, 0.0000657900000000 ] - [ 0.0001208400000000, -0.0007483100000000, -0.0000814500000000 ] - [ 0.0042827600000000, 0.0010665900000000, -0.0003513000000000 ] - [ 0.0016010100000000, 0.0002540900000000, -0.0003077700000000 ] - [ 0.0011405300000000, -0.0022095200000000, 0.0000077200000000 ] - [ 0.0022419200000000, -0.0001510400000000, 0.0004599300000000 ] - [ -0.0000019400000000, -0.0010125200000000, -0.0006479800000000 ] - [ 0.0008722800000000, 0.0007922600000000, 0.0003919000000000 ] - [ -0.0013638000000000, 0.0025220500000000, -0.0003851700000000 ] - [ 0.0007148000000000, 0.0027491400000000, 0.0016093600000000 ] - [ 0.0018138600000000, 0.0021617000000000, -0.0009835500000000 ] - [ 0.0011408700000000, 0.0006145600000000, -0.0006751800000000 ] - [ 0.0031021700000000, 0.0013383700000000, -0.0002988100000000 ] - [ 0.0007385900000000, -0.0125094000000000, 0.0051198200000000 ] - [ 0.0392205200000000, 0.0048341900000000, -0.0208554300000000 ] - [ 0.0024418300000000, -0.0008106400000000, 0.0004214100000000 ] - [ -0.0002335400000000, 0.0016575400000000, -0.0005423600000000 ] - [ -0.0003279500000000, -0.0010577700000000, -0.0005903700000000 ] - [ 0.0054860400000000, 0.0252704200000000, -0.0052419100000000 ] - [ -0.0036752200000000, 0.0007884500000000, -0.0011066000000000 ] - [ 0.0031956800000000, -0.0007624200000000, -0.0009230100000000 ] - [ -0.0094060800000000, 0.0003667500000000, -0.0046672500000000 ] - [ 0.0034050200000000, -0.0004695300000000, -0.0005528000000000 ] - [ 0.0015661800000000, -0.0007828400000000, 0.0005110100000000 ] - [ 0.0023722300000000, -0.0023695200000000, -0.0017257200000000 ] - [ 0.0014075300000000, 0.0021833200000000, -0.0003431800000000 ] - [ -0.0030573400000000, -0.0043714600000000, -0.0002534600000000 ] - [ -0.0010571400000000, -0.0004848400000000, 0.0002892100000000 ] - [ 0.0272443900000000, -0.0033269900000000, -0.0278372100000000 ] - [ 0.0002894200000000, -0.0007501700000000, 0.0001489600000000 ] - [ 0.0001567800000000, 0.0005784200000000, 0.0000468400000000 ] - [ -0.0006230400000000, -0.0010372900000000, -0.0000278600000000 ] - [ 0.0006559200000000, -0.0019714300000000, -0.0006993500000000 ] - [ -0.0008106900000000, 0.0009429100000000, -0.0009405900000000 ] - [ -0.0028366700000000, 0.0006476900000000, -0.0004484800000000 ] - [ -0.0031268000000000, -0.0000703800000000, 0.0005344200000000 ] - [ -0.0004644200000000, 0.0006118600000000, 0.0000163100000000 ] - [ -0.0017035000000000, -0.0015543300000000, -0.0017950900000000 ] - [ -0.0011049200000000, 0.0001895600000000, -0.0003347700000000 ] - [ -0.0007090000000000, -0.0000872700000000, -0.0002487100000000 ] - [ 0.0011612000000000, 0.0008925000000000, -0.0012921200000000 ] - [ -0.0034621700000000, -0.0007337800000000, -0.0002285100000000 ] - [ -0.0000419600000000, 0.0000915300000000, -0.0001618700000000 ] - [ 0.0004898300000000, -0.0051625000000000, 0.0069851300000000 ] - [ -0.0012204900000000, -0.0004449100000000, -0.0003261300000000 ] - [ -0.0015944200000000, -0.0006993700000000, 0.0007942100000000 ] - [ 0.0017515500000000, 0.0011093800000000, -0.0005170800000000 ] - [ -0.0002189900000000, -0.0009605900000000, 0.0001141900000000 ] - [ 0.0034694400000000, -0.0005250400000000, 0.0020397800000000 ] - [ 0.0019995200000000, -0.0006904200000000, -0.0001192100000000 ] - [ 0.0012060900000000, -0.0009937100000000, 0.0015180700000000 ] - [ -0.0092791300000000, -0.0103170300000000, 0.0018393400000000 ] - [ 0.0020239500000000, 0.0011553300000000, -0.0002752800000000 ] - [ -0.0010814500000000, 0.0044561700000000, -0.0020432700000000 ] - [ -0.0018627900000000, -0.0005957900000000, -0.0005698100000000 ] - [ 0.0003150900000000, 0.0000569800000000, -0.0002047500000000 ] - [ -0.0002541300000000, -0.0007801300000000, -0.0001001500000000 ] - [ -0.0007740000000000, 0.0016475900000000, -0.0000953800000000 ] - [ 0.0008422100000000, -0.0003758500000000, 0.0001357300000000 ] - [ 0.0000126500000000, -0.0012354000000000, 0.0003404800000000 ] - [ -0.0020472900000000, -0.0000993900000000, -0.0001745900000000 ] - [ 0.0001566400000000, -0.0009573400000000, 0.0002324200000000 ] - [ -0.0011864600000000, 0.0006274200000000, -0.0002506900000000 ] - [ -0.0015534300000000, 0.0000376500000000, 0.0002387100000000 ] - [ -0.0001060800000000, 0.0002643000000000, 0.0000804800000000 ] - [ -0.0018352700000000, -0.0002197300000000, -0.0003317400000000 ] - [ 0.0002385900000000, 0.0010888500000000, -0.0002583100000000 ] - [ -0.0012341000000000, 0.0020741900000000, -0.0000572000000000 ] - [ 0.0000250900000000, 0.0004349800000000, 0.0002478700000000 ] - [ 0.0000221500000000, 0.0001138200000000, 0.0000610600000000 ] - [ -0.0016390000000000, 0.0008242700000000, 0.0006347600000000 ] - [ 0.0046173300000000, -0.0092228600000000, 0.0002128900000000 ] - [ -0.0016867500000000, -0.0000836000000000, 0.0001998500000000 ] - [ 0.0235188600000000, -0.0149360400000000, 0.0074652100000000 ] - [ -0.0013440900000000, -0.0009821600000000, -0.0003683700000000 ] - [ -0.0012488200000000, 0.0001149600000000, 0.0004178800000000 ] - [ 0.0011846300000000, -0.0003262500000000, 0.0001061400000000 ] - [ -0.0010264500000000, -0.0015372600000000, 0.0004918700000000 ] - [ 0.0017194500000000, 0.0006579300000000, 0.0004169400000000 ] - [ 0.0030583200000000, 0.0008179500000000, -0.0006897900000000 ] - [ -0.0000232300000000, 0.0005648000000000, 0.0007290200000000 ] - [ 0.0610845700000000, 0.0477562300000000, 0.0297117700000000 ] - [ 0.0002861800000000, -0.0009459700000000, 0.0001579900000000 ] - [ 0.0017417100000000, -0.0021518700000000, 0.0006098600000000 ] - [ -0.0045672000000000, -0.0035429500000000, 0.0001803200000000 ] - [ -0.0005621800000000, 0.0017801900000000, 0.0002216600000000 ] - [ -0.0003601900000000, -0.0000620300000000, -0.0001852400000000 ] - [ -0.0001598300000000, 0.0006731600000000, -0.0003546600000000 ] - [ -0.0010434600000000, 0.0003747800000000, 0.0010608200000000 ] - [ 0.0087508800000000, -0.0001717100000000, 0.0025013000000000 ] - [ 0.0001092900000000, -0.0016057400000000, -0.0001516700000000 ] - [ -0.0000703700000000, -0.0008379100000000, -0.0000750200000000 ] - [ -0.0015236900000000, -0.0000400900000000, -0.0003069600000000 ] - [ -0.0000846000000000, 0.0016162500000000, -0.0001038300000000 ] - [ -0.0006618700000000, -0.0006846200000000, 0.0007055000000000 ] - [ -0.0008916600000000, -0.0005973800000000, 0.0002475100000000 ] - [ 0.0006946600000000, 0.0011681700000000, 0.0001602500000000 ] - [ -0.0020880700000000, -0.0001078500000000, -0.0003777800000000 ] - [ -0.0012329300000000, 0.0018853200000000, 0.0014714400000000 ] - [ 0.1507061600000000, -0.0362506000000000, -0.0093809800000000 ] - [ -0.0001482300000000, -0.0007168100000000, -0.0003480200000000 ] - [ -0.0008666900000000, -0.0012588900000000, 0.0001802000000000 ] - [ -0.0040447400000000, -0.0000350300000000, 0.0151845900000000 ] - [ 0.0016231800000000, 0.0030032000000000, 0.0006535300000000 ] - [ 0.0001569500000000, 0.0043654300000000, 0.0007953500000000 ] - [ 0.0001539300000000, 0.0002540500000000, -0.0000358900000000 ] - [ -0.0002799900000000, -0.0015341200000000, -0.0000996100000000 ] - [ -0.0002437900000000, -0.0006760500000000, -0.0002521600000000 ] - [ -0.0006249400000000, -0.0003642000000000, -0.0000925800000000 ] - [ 0.0002730300000000, -0.0032432200000000, 0.0001106800000000 ] - [ -0.0010901700000000, 0.0007646900000000, 0.0001805100000000 ] - [ -0.0103020500000000, 0.0047397300000000, 0.0014251500000000 ] - [ -0.0010480900000000, 0.0001805300000000, 0.0001148700000000 ] - [ -0.0008575000000000, -0.0005297100000000, -0.0000411500000000 ] - [ -0.0017766400000000, -0.0007760500000000, -0.0004643500000000 ] - [ -0.0023567100000000, 0.0011759000000000, 0.0001100300000000 ] - [ -0.0010379500000000, -0.0019987200000000, 0.0011258500000000 ] - [ -0.0018041100000000, 0.0002361100000000, 0.0002293700000000 ] - [ -0.0003481600000000, 0.0014380500000000, 0.0002140200000000 ] - [ -0.0005205800000000, -0.0000973700000000, 0.0008432700000000 ] - [ -0.0000558500000000, 0.0001674500000000, -0.0002008400000000 ] - [ -0.0006584600000000, -0.0003754900000000, -0.0000238400000000 ] - [ -0.0000780200000000, 0.0009673000000000, 0.0001732700000000 ] - [ -0.0001516600000000, 0.0017680300000000, 0.0002943200000000 ]- atom: 27 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0009582300000000, 0.0002632300000000, 0.0001769000000000 ] - [ 0.0023191000000000, -0.0023694900000000, 0.0014667600000000 ] - [ -0.0020015300000000, 0.0001645500000000, -0.0006203700000000 ] - [ -0.0000073400000000, 0.0006804200000000, 0.0001014500000000 ] - [ -0.0029127000000000, 0.0001404000000000, -0.0041315800000000 ] - [ 0.0043248500000000, 0.0024996500000000, 0.0016534200000000 ] - [ 0.0001785000000000, 0.0002405500000000, 0.0000387000000000 ] - [ -0.0008377700000000, 0.0001327600000000, 0.0000970000000000 ] - [ -0.0010409200000000, -0.0001150800000000, 0.0000990800000000 ] - [ -0.0070066900000000, 0.0011573900000000, 0.0051979100000000 ] - [ -0.0002187700000000, -0.0006482100000000, -0.0000664100000000 ] - [ -0.0010251400000000, -0.0001889600000000, -0.0000155000000000 ] - [ 0.0014493600000000, -0.0061507000000000, -0.0036655000000000 ] - [ -0.0001411900000000, -0.0012172700000000, -0.0003420900000000 ] - [ -0.0001213000000000, -0.0003181800000000, 0.0002145100000000 ] - [ -0.0004874000000000, -0.0006464300000000, 0.0002996200000000 ] - [ -0.0004464400000000, 0.0007260400000000, -0.0000054300000000 ] - [ -0.0001761700000000, -0.0010342900000000, 0.0003261900000000 ] - [ 0.0000017600000000, -0.0000480200000000, 0.0000113400000000 ] - [ -0.0003102000000000, 0.0006852400000000, 0.0001623700000000 ] - [ -0.0015745100000000, -0.0001896900000000, 0.0005702100000000 ] - [ 0.0001662000000000, 0.0001050400000000, 0.0000527600000000 ] - [ 0.0012979700000000, 0.0054217900000000, -0.0036647400000000 ] - [ -0.0002003900000000, 0.0010506000000000, 0.0003002800000000 ] - [ -0.0022244300000000, -0.0001355900000000, -0.0000727000000000 ] - [ -0.0012374300000000, 0.0007292700000000, 0.0000400400000000 ] - [ 0.2856769600000000, 0.0002193100000000, 0.0023855500000000 ] - [ -0.0006596900000000, -0.0009724800000000, -0.0001967800000000 ] - [ 0.0020111300000000, -0.0012970700000000, 0.0044466600000000 ] - [ 0.0015108900000000, 0.0010634400000000, -0.0007168400000000 ] - [ 0.0018304800000000, 0.0007694500000000, 0.0001078800000000 ] - [ -0.0003627900000000, -0.0015377200000000, 0.0003873100000000 ] - [ -0.0034647000000000, 0.0065315200000000, 0.0019307800000000 ] - [ -0.0029389200000000, 0.0005126700000000, -0.0005900100000000 ] - [ -0.0050372000000000, -0.0047430700000000, -0.0025415600000000 ] - [ -0.0007868800000000, 0.0011769900000000, -0.0001564700000000 ] - [ -0.0038705600000000, 0.0020133600000000, -0.0005182300000000 ] - [ -0.0000187100000000, -0.0014730100000000, -0.0000356900000000 ] - [ -0.0019323400000000, -0.0004256300000000, 0.0001940200000000 ] - [ 0.0013415400000000, 0.0015481900000000, 0.0001291600000000 ] - [ 0.0000786600000000, -0.0005246900000000, -0.0000721300000000 ] - [ 0.0020071400000000, -0.0031969400000000, 0.0003214300000000 ] - [ -0.0001168600000000, 0.0004510300000000, 0.0004204600000000 ] - [ 0.0017905600000000, -0.0012332100000000, 0.0055267900000000 ] - [ -0.0025096200000000, 0.0001501200000000, -0.0001095300000000 ] - [ 0.0000299600000000, 0.0020330800000000, -0.0004195000000000 ] - [ -0.0044402400000000, -0.0014996200000000, 0.0003095200000000 ] - [ -0.0005551200000000, -0.0010199500000000, -0.0001895000000000 ] - [ -0.0008655000000000, 0.0011845100000000, -0.0011484600000000 ] - [ -0.0005858400000000, 0.0005152200000000, 0.0002148900000000 ] - [ -0.0002010500000000, 0.0016438400000000, -0.0006268600000000 ] - [ 0.0002843300000000, -0.0020271600000000, 0.0002774900000000 ] - [ 0.0020255800000000, -0.0030560700000000, 0.0007446100000000 ] - [ -0.0008582600000000, -0.0035722500000000, -0.0012496700000000 ] - [ -0.0029631500000000, -0.0009270900000000, 0.0016619700000000 ] - [ -0.0004318700000000, -0.0007405800000000, -0.0005918600000000 ] - [ -0.0033610200000000, -0.0003019300000000, -0.0008372300000000 ] - [ -0.0004396800000000, 0.0133690300000000, -0.0047922600000000 ] - [ -0.0396791700000000, -0.0052982100000000, 0.0211583200000000 ] - [ -0.0029469900000000, -0.0008058000000000, 0.0002505500000000 ] - [ -0.0008183300000000, -0.0013702600000000, -0.0005973900000000 ] - [ -0.0004160600000000, 0.0002890100000000, -0.0005475500000000 ] - [ -0.0043845900000000, -0.0256111100000000, 0.0040437700000000 ] - [ 0.0032464600000000, -0.0013395000000000, -0.0001658800000000 ] - [ -0.0029937600000000, 0.0001295300000000, -0.0003518800000000 ] - [ 0.0087021700000000, 0.0001630600000000, 0.0049927600000000 ] - [ -0.0041223100000000, 0.0005957700000000, -0.0007180100000000 ] - [ -0.0010631100000000, 0.0024055600000000, 0.0001577100000000 ] - [ -0.0016248300000000, 0.0031289200000000, 0.0005886600000000 ] - [ -0.0009819400000000, -0.0016267500000000, -0.0009294400000000 ] - [ 0.0013954900000000, 0.0040036700000000, 0.0009274200000000 ] - [ 0.0018224800000000, 0.0007848400000000, 0.0000612300000000 ] - [ -0.0262425500000000, 0.0035917900000000, 0.0276935100000000 ] - [ 0.0004324300000000, 0.0011037200000000, 0.0001059500000000 ] - [ 0.0007059900000000, -0.0003118700000000, 0.0002082800000000 ] - [ -0.0001626300000000, 0.0014843900000000, 0.0000961700000000 ] - [ -0.0004919100000000, 0.0018155700000000, 0.0006530400000000 ] - [ 0.0009977700000000, -0.0006650000000000, 0.0008353000000000 ] - [ 0.0029087800000000, -0.0001506800000000, 0.0001137000000000 ] - [ 0.0020346200000000, 0.0000285400000000, -0.0005300500000000 ] - [ -0.0002493000000000, -0.0003578900000000, -0.0000589000000000 ] - [ 0.0011318800000000, 0.0019284300000000, 0.0019562100000000 ] - [ 0.0017274300000000, -0.0011656500000000, 0.0003608300000000 ] - [ -0.0006845800000000, 0.0009807800000000, -0.0004592000000000 ] - [ -0.0006277000000000, -0.0012485000000000, 0.0014438800000000 ] - [ 0.0034327700000000, 0.0016387200000000, 0.0002963500000000 ] - [ 0.0011380800000000, -0.0000467900000000, 0.0001682300000000 ] - [ -0.0006661400000000, 0.0054682600000000, -0.0071004700000000 ] - [ 0.0010323200000000, 0.0001633100000000, 0.0002080800000000 ] - [ 0.0016834300000000, 0.0010879800000000, -0.0012330300000000 ] - [ -0.0016946200000000, -0.0008908700000000, 0.0004732600000000 ] - [ 0.0004388700000000, 0.0004571000000000, -0.0000130600000000 ] - [ -0.0029275500000000, 0.0006830600000000, -0.0021431300000000 ] - [ -0.0017756100000000, 0.0007469500000000, 0.0000738600000000 ] - [ -0.0010568200000000, 0.0010131200000000, 0.0000965200000000 ] - [ 0.0091689800000000, 0.0100834900000000, -0.0018716600000000 ] - [ -0.0024038200000000, -0.0008603800000000, -0.0000548800000000 ] - [ 0.0015003800000000, -0.0049036400000000, 0.0019523800000000 ] - [ 0.0003921600000000, -0.0001566000000000, -0.0001361400000000 ] - [ -0.0004300200000000, -0.0006153700000000, 0.0000734000000000 ] - [ 0.0001384400000000, 0.0014990900000000, 0.0000677300000000 ] - [ 0.0009796100000000, -0.0007750000000000, 0.0003531400000000 ] - [ -0.0008816700000000, -0.0003016600000000, 0.0000347400000000 ] - [ -0.0006191100000000, 0.0009312600000000, -0.0001658400000000 ] - [ 0.0014876700000000, -0.0003849100000000, 0.0001386200000000 ] - [ 0.0005016800000000, 0.0003432700000000, 0.0000201400000000 ] - [ 0.0012729600000000, 0.0010253400000000, -0.0004562600000000 ] - [ 0.0012376800000000, -0.0004897600000000, -0.0001405100000000 ] - [ -0.0006832200000000, -0.0007137600000000, -0.0000087900000000 ] - [ 0.0013818300000000, 0.0000316200000000, -0.0000041500000000 ] - [ 0.0002152400000000, -0.0008998900000000, -0.0000775500000000 ] - [ 0.0015563000000000, -0.0016324400000000, 0.0001554300000000 ] - [ -0.0000179600000000, -0.0013445500000000, -0.0001840800000000 ] - [ 0.0005281700000000, -0.0001639900000000, 0.0000378700000000 ] - [ 0.0009785400000000, -0.0003961400000000, -0.0003939800000000 ] - [ -0.0053266800000000, 0.0088449000000000, 0.0000460600000000 ] - [ 0.0014804800000000, -0.0007906800000000, 0.0000557800000000 ] - [ -0.0233402100000000, 0.0144476500000000, -0.0072175800000000 ] - [ 0.0018714400000000, 0.0019708500000000, 0.0003785300000000 ] - [ 0.0013523700000000, -0.0002375900000000, 0.0012026600000000 ] - [ -0.0008357500000000, 0.0002611800000000, -0.0003713300000000 ] - [ 0.0009552600000000, 0.0014280000000000, -0.0004759800000000 ] - [ -0.0018326900000000, -0.0003481300000000, -0.0006712000000000 ] - [ -0.0015845000000000, -0.0000679700000000, -0.0000165300000000 ] - [ -0.0000339200000000, -0.0007086700000000, 0.0008815500000000 ] - [ -0.0613587200000000, -0.0504615800000000, -0.0309512300000000 ] - [ -0.0008147100000000, -0.0000448000000000, -0.0001472300000000 ] - [ -0.0016260000000000, 0.0014260600000000, -0.0006434300000000 ] - [ 0.0038684600000000, 0.0041470200000000, 0.0000836700000000 ] - [ 0.0013520200000000, -0.0013212500000000, -0.0001482800000000 ] - [ 0.0006474500000000, -0.0002038000000000, -0.0002521600000000 ] - [ 0.0005305200000000, -0.0005613700000000, -0.0000773900000000 ] - [ 0.0011003600000000, -0.0002312700000000, 0.0005477000000000 ] - [ -0.0089240700000000, 0.0001200100000000, -0.0025366100000000 ] - [ -0.0000427000000000, 0.0017126700000000, 0.0001670400000000 ] - [ 0.0002245000000000, 0.0005334800000000, -0.0000425600000000 ] - [ 0.0011527000000000, -0.0000730300000000, -0.0001275300000000 ] - [ 0.0001593500000000, -0.0017436600000000, 0.0001219800000000 ] - [ 0.0005124200000000, 0.0006619000000000, 0.0009062300000000 ] - [ 0.0006581600000000, 0.0011025600000000, -0.0001488400000000 ] - [ -0.0009792400000000, -0.0009036600000000, -0.0005984600000000 ] - [ 0.0022221700000000, 0.0001039100000000, 0.0003955800000000 ] - [ 0.0008931800000000, -0.0018663400000000, -0.0015950100000000 ] - [ -0.1416636800000000, 0.0333542200000000, 0.0082815600000000 ] - [ 0.0000586200000000, 0.0003369000000000, -0.0000893100000000 ] - [ 0.0015312000000000, 0.0008227000000000, 0.0000688700000000 ] - [ 0.0040608300000000, 0.0007254200000000, -0.0149566600000000 ] - [ -0.0014352500000000, -0.0027179200000000, -0.0009134100000000 ] - [ -0.0007042900000000, -0.0043122200000000, -0.0006962100000000 ] - [ 0.0001844700000000, -0.0002702400000000, -0.0000834100000000 ] - [ -0.0002588400000000, 0.0013508900000000, -0.0000266800000000 ] - [ 0.0001790900000000, 0.0001847100000000, -0.0000842300000000 ] - [ 0.0011932700000000, 0.0008490600000000, 0.0000534900000000 ] - [ -0.0001757200000000, 0.0029379000000000, -0.0003924800000000 ] - [ 0.0010171500000000, -0.0006365500000000, -0.0001612700000000 ] - [ 0.0104839900000000, -0.0041764200000000, -0.0015738600000000 ] - [ 0.0009158500000000, -0.0001796800000000, -0.0000974600000000 ] - [ 0.0012381800000000, 0.0002313100000000, -0.0002901700000000 ] - [ 0.0013432300000000, 0.0011580500000000, 0.0003381600000000 ] - [ 0.0030721900000000, -0.0014300400000000, -0.0001527000000000 ] - [ 0.0008254400000000, 0.0017448100000000, -0.0013932600000000 ] - [ 0.0017776900000000, -0.0010343800000000, 0.0000218700000000 ] - [ -0.0002754900000000, -0.0004620700000000, -0.0001864000000000 ] - [ 0.0004190800000000, 0.0002199800000000, 0.0007744900000000 ] - [ -0.0000316000000000, -0.0018222500000000, -0.0005060500000000 ] - [ 0.0020465300000000, -0.0005203700000000, -0.0006828100000000 ] - [ 0.0001026000000000, -0.0001684300000000, 0.0000776600000000 ] - [ -0.0007069500000000, -0.0020292800000000, -0.0000405300000000 ]- atom: 27 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0009378000000000, -0.0000399400000000, 0.0002216900000000 ] - [ 0.0045065600000000, -0.0007155200000000, -0.0020145800000000 ] - [ -0.0012664400000000, -0.0003360100000000, -0.0003316900000000 ] - [ -0.0009746500000000, 0.0015820400000000, -0.0001740000000000 ] - [ -0.0009038700000000, -0.0039677400000000, -0.0006873400000000 ] - [ -0.0001114300000000, 0.0025431500000000, 0.0041645000000000 ] - [ -0.0003159600000000, 0.0008960200000000, 0.0000973900000000 ] - [ -0.0007250800000000, -0.0000721200000000, 0.0000689000000000 ] - [ -0.0000997400000000, -0.0000970800000000, 0.0000329100000000 ] - [ -0.0047152200000000, -0.0033106600000000, 0.0031574500000000 ] - [ 0.0004086000000000, 0.0001026700000000, -0.0000025000000000 ] - [ -0.0002043600000000, -0.0001688700000000, 0.0000575700000000 ] - [ 0.0065336300000000, 0.0005985600000000, 0.0031415700000000 ] - [ 0.0007585400000000, 0.0005258900000000, 0.0005518000000000 ] - [ 0.0003888600000000, 0.0007309200000000, 0.0002970100000000 ] - [ 0.0001549500000000, -0.0000084700000000, 0.0002862000000000 ] - [ -0.0006382800000000, 0.0007886600000000, 0.0000067300000000 ] - [ 0.0007786200000000, 0.0005927700000000, -0.0000903300000000 ] - [ 0.0003825000000000, 0.0009644600000000, -0.0000508600000000 ] - [ -0.0005290200000000, 0.0008723500000000, 0.0001386100000000 ] - [ -0.0008062400000000, -0.0005386300000000, 0.0003788700000000 ] - [ -0.0003850400000000, 0.0008463200000000, -0.0000044000000000 ] - [ -0.0027783800000000, 0.0049939400000000, -0.0047184100000000 ] - [ -0.0013188700000000, 0.0016412800000000, 0.0008419400000000 ] - [ -0.0016331400000000, -0.0001992800000000, -0.0000705200000000 ] - [ 0.0000445200000000, 0.0014598600000000, -0.0000902700000000 ] - [ 0.1451963700000000, -0.2599867000000000, 0.0013069400000000 ] - [ 0.0010745600000000, 0.0006786600000000, -0.0001378900000000 ] - [ 0.0009573700000000, -0.0027264700000000, -0.0039880300000000 ] - [ -0.0004600200000000, -0.0021452300000000, -0.0049567600000000 ] - [ 0.0034281400000000, 0.0058934500000000, 0.0005454600000000 ] - [ 0.0011240500000000, 0.0009482600000000, 0.0003830000000000 ] - [ -0.0033733500000000, 0.0033362400000000, 0.0015477300000000 ] - [ -0.0018985800000000, -0.0014123000000000, -0.0003361200000000 ] - [ -0.0014142300000000, -0.0031404200000000, -0.0018558400000000 ] - [ -0.0015551800000000, 0.0014554200000000, -0.0002868800000000 ] - [ -0.0079793800000000, 0.0009930100000000, -0.0014447200000000 ] - [ 0.0014371800000000, 0.0006751200000000, -0.0004050100000000 ] - [ -0.0005500700000000, -0.0004775700000000, 0.0002856200000000 ] - [ -0.0008810800000000, 0.0020180800000000, 0.0002174000000000 ] - [ 0.0006908800000000, 0.0013464300000000, 0.0000771400000000 ] - [ -0.0006219200000000, 0.0037269300000000, -0.0006904200000000 ] - [ -0.0005749200000000, 0.0022035500000000, 0.0006002700000000 ] - [ 0.0020783800000000, -0.0033323300000000, 0.0037915200000000 ] - [ -0.0011954900000000, -0.0004164100000000, -0.0000924400000000 ] - [ -0.0012274700000000, 0.0031121900000000, -0.0004519000000000 ] - [ 0.0034035700000000, -0.0021540700000000, -0.0004960300000000 ] - [ -0.0006851000000000, 0.0002390300000000, -0.0000741200000000 ] - [ -0.0030829700000000, -0.0010674400000000, -0.0017747300000000 ] - [ 0.0006425100000000, 0.0017194700000000, 0.0003293700000000 ] - [ -0.0015207700000000, 0.0026083100000000, -0.0005166700000000 ] - [ 0.0010885600000000, 0.0012844200000000, 0.0002552900000000 ] - [ 0.0050708800000000, -0.0000122800000000, 0.0004191200000000 ] - [ 0.0012303800000000, -0.0035591500000000, -0.0002305500000000 ] - [ 0.0007249600000000, -0.0003373300000000, 0.0000512800000000 ] - [ -0.0006550500000000, 0.0002698700000000, -0.0006804800000000 ] - [ -0.0014254100000000, 0.0000239800000000, -0.0007557500000000 ] - [ -0.0217943200000000, 0.0334909900000000, -0.0105778500000000 ] - [ -0.0251910400000000, -0.0090226900000000, 0.0153917700000000 ] - [ -0.0016680300000000, -0.0013528400000000, 0.0002410400000000 ] - [ 0.0005437800000000, 0.0010441800000000, -0.0005849300000000 ] - [ -0.0015444000000000, 0.0025584500000000, -0.0003658400000000 ] - [ 0.0123510200000000, 0.0163764200000000, -0.0008135600000000 ] - [ 0.0004310700000000, 0.0015247300000000, -0.0015468000000000 ] - [ -0.0021812800000000, -0.0001403400000000, -0.0003906900000000 ] - [ 0.0060227400000000, -0.0058266200000000, 0.0050140100000000 ] - [ -0.0015548100000000, -0.0031666400000000, -0.0010244800000000 ] - [ -0.0022854900000000, 0.0033896000000000, 0.0000359100000000 ] - [ -0.0016851200000000, 0.0015985500000000, 0.0002816000000000 ] - [ 0.0010598200000000, 0.0009252600000000, -0.0005699700000000 ] - [ -0.0019280700000000, 0.0036520200000000, 0.0010022100000000 ] - [ 0.0016362100000000, 0.0031661000000000, 0.0012330900000000 ] - [ -0.0162408200000000, 0.0211408500000000, 0.0278806200000000 ] - [ -0.0000255300000000, -0.0002458000000000, 0.0000575800000000 ] - [ 0.0003950200000000, -0.0014980900000000, 0.0002802600000000 ] - [ -0.0012445300000000, -0.0004415200000000, 0.0000632900000000 ] - [ -0.0018486500000000, 0.0011789400000000, 0.0001918200000000 ] - [ 0.0023169600000000, 0.0002538700000000, 0.0017727300000000 ] - [ -0.0006230700000000, 0.0023275600000000, -0.0004037600000000 ] - [ 0.0005338200000000, 0.0007388000000000, -0.0002499900000000 ] - [ 0.0005638000000000, -0.0008671400000000, -0.0000236400000000 ] - [ -0.0003397500000000, 0.0017839700000000, 0.0010923000000000 ] - [ 0.0010872800000000, -0.0011766700000000, 0.0002658600000000 ] - [ -0.0003095900000000, -0.0005188000000000, -0.0002073600000000 ] - [ 0.0037036100000000, -0.0056472100000000, 0.0087657100000000 ] - [ 0.0013332400000000, 0.0013426700000000, 0.0002878500000000 ] - [ 0.0015107200000000, -0.0004542100000000, 0.0002094800000000 ] - [ -0.0033682400000000, -0.0017118900000000, 0.0054559600000000 ] - [ 0.0003041600000000, 0.0000819800000000, 0.0001227500000000 ] - [ -0.0006924800000000, 0.0014083900000000, 0.0002700400000000 ] - [ -0.0011656100000000, -0.0014900400000000, 0.0004223600000000 ] - [ -0.0006797600000000, -0.0007686800000000, 0.0001036000000000 ] - [ -0.0008260300000000, 0.0063438400000000, -0.0029972000000000 ] - [ -0.0040419200000000, -0.0018120700000000, 0.0004780500000000 ] - [ -0.0001227600000000, -0.0012020900000000, 0.0014727500000000 ] - [ 0.0052221900000000, 0.0105653300000000, -0.0016205100000000 ] - [ -0.0002957700000000, -0.0012280300000000, 0.0003769500000000 ] - [ 0.0133951900000000, -0.0037838600000000, 0.0008146200000000 ] - [ -0.0008899600000000, -0.0007111400000000, -0.0004230000000000 ] - [ 0.0002609900000000, -0.0020936400000000, -0.0000781700000000 ] - [ -0.0005312600000000, -0.0001730100000000, -0.0000738200000000 ] - [ 0.0015520600000000, -0.0005316200000000, 0.0004414300000000 ] - [ -0.0010775700000000, -0.0019910400000000, -0.0009892900000000 ] - [ -0.0016871500000000, -0.0001901700000000, 0.0002807000000000 ] - [ 0.0024596300000000, 0.0018796900000000, 0.0002710200000000 ] - [ -0.0004573700000000, -0.0008125600000000, 0.0002369200000000 ] - [ 0.0007367600000000, 0.0011848200000000, -0.0004856500000000 ] - [ 0.0004253300000000, 0.0000064800000000, -0.0000294300000000 ] - [ -0.0001678000000000, -0.0032479400000000, 0.0000927900000000 ] - [ 0.0008012700000000, 0.0002445500000000, -0.0000594700000000 ] - [ 0.0007594700000000, -0.0014290000000000, -0.0001351600000000 ] - [ 0.0030675000000000, -0.0023669900000000, 0.0004104800000000 ] - [ 0.0020846500000000, -0.0002670700000000, 0.0003943000000000 ] - [ 0.0000625000000000, -0.0013231900000000, 0.0000900400000000 ] - [ 0.0012109100000000, 0.0016199800000000, -0.0000034700000000 ] - [ -0.0016192500000000, -0.0039014400000000, -0.0001245000000000 ] - [ 0.0006431700000000, -0.0003039300000000, 0.0000843400000000 ] - [ -0.0250033500000000, 0.1179069600000000, -0.0526283600000000 ] - [ -0.0005650500000000, 0.0003943200000000, -0.0000528900000000 ] - [ 0.0006498600000000, 0.0008509900000000, 0.0009732000000000 ] - [ -0.0015069300000000, -0.0007778000000000, -0.0005696200000000 ] - [ -0.0005130200000000, 0.0000894200000000, 0.0001079500000000 ] - [ -0.0014465200000000, 0.0031677400000000, 0.0012515300000000 ] - [ 0.0012036900000000, -0.0012105700000000, -0.0004238800000000 ] - [ 0.0005515500000000, -0.0011033300000000, 0.0008885800000000 ] - [ 0.0118808000000000, 0.0460559000000000, 0.0163346400000000 ] - [ -0.0006950800000000, -0.0018503600000000, 0.0004450400000000 ] - [ -0.0002889200000000, -0.0006473200000000, 0.0005496300000000 ] - [ -0.0053010800000000, -0.0019876700000000, -0.0002133600000000 ] - [ 0.0013325600000000, 0.0003302700000000, 0.0002537600000000 ] - [ 0.0001414200000000, -0.0007339300000000, -0.0002182200000000 ] - [ 0.0011106200000000, -0.0008419500000000, 0.0000801600000000 ] - [ 0.0007825600000000, -0.0001899300000000, 0.0006022300000000 ] - [ -0.0060484000000000, 0.0023627400000000, -0.0023467700000000 ] - [ -0.0006365700000000, -0.0020095800000000, -0.0003405700000000 ] - [ -0.0004044200000000, -0.0005673000000000, -0.0000292000000000 ] - [ 0.0005299100000000, 0.0001631900000000, -0.0001190200000000 ] - [ 0.0014565700000000, -0.0024369400000000, 0.0003279300000000 ] - [ -0.0004998800000000, -0.0002239400000000, 0.0007162700000000 ] - [ -0.0013524100000000, 0.0015080200000000, 0.0006602300000000 ] - [ 0.0003781400000000, -0.0012399300000000, -0.0006672900000000 ] - [ 0.0012872500000000, 0.0005179800000000, 0.0002001200000000 ] - [ 0.0009128700000000, -0.0008613100000000, -0.0011962100000000 ] - [ -0.1014192500000000, 0.0438643600000000, 0.0059354600000000 ] - [ -0.0002273400000000, -0.0007887200000000, -0.0003373100000000 ] - [ 0.0009034200000000, 0.0000938500000000, 0.0000585400000000 ] - [ 0.0030860900000000, 0.0028854600000000, -0.0107346100000000 ] - [ 0.0007161500000000, -0.0104900500000000, -0.0021230800000000 ] - [ 0.0008172300000000, -0.0028135400000000, -0.0007026000000000 ] - [ 0.0005254000000000, -0.0011553200000000, -0.0002798600000000 ] - [ -0.0016838800000000, -0.0011258600000000, -0.0001224300000000 ] - [ 0.0002624400000000, -0.0008581200000000, -0.0002964600000000 ] - [ 0.0007725800000000, 0.0003373500000000, 0.0000792700000000 ] - [ -0.0014333200000000, 0.0017471900000000, -0.0003566100000000 ] - [ 0.0006720400000000, -0.0008040400000000, -0.0001445900000000 ] - [ 0.0072523400000000, -0.0018357400000000, -0.0015489900000000 ] - [ 0.0015372200000000, -0.0004556400000000, -0.0001499500000000 ] - [ -0.0002733000000000, -0.0006936100000000, -0.0001625500000000 ] - [ -0.0001818200000000, 0.0008671100000000, 0.0000471400000000 ] - [ 0.0026239700000000, -0.0009037800000000, -0.0000837400000000 ] - [ 0.0001936300000000, 0.0021848700000000, -0.0011803500000000 ] - [ 0.0015578700000000, -0.0006273100000000, -0.0000585700000000 ] - [ 0.0007640800000000, -0.0013138500000000, -0.0004755200000000 ] - [ 0.0004668800000000, -0.0002088300000000, 0.0007613200000000 ] - [ 0.0004917000000000, -0.0025020800000000, -0.0006048400000000 ] - [ 0.0003674200000000, 0.0005530700000000, -0.0000580900000000 ] - [ 0.0010567500000000, -0.0009866300000000, -0.0000385200000000 ] - [ 0.0001479900000000, -0.0012150800000000, 0.0000392700000000 ]- atom: 27 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0008740900000000, 0.0000696800000000, 0.0000041700000000 ] - [ -0.0045112700000000, 0.0007050500000000, 0.0021347000000000 ] - [ 0.0013846700000000, 0.0004949100000000, 0.0007887300000000 ] - [ 0.0008547800000000, -0.0017393200000000, 0.0006282000000000 ] - [ 0.0006147800000000, 0.0037662900000000, 0.0007221800000000 ] - [ 0.0003068000000000, -0.0025712700000000, -0.0037343800000000 ] - [ 0.0003162900000000, -0.0008951000000000, 0.0000190600000000 ] - [ 0.0007839500000000, 0.0000397100000000, 0.0001551500000000 ] - [ 0.0000998400000000, 0.0000966100000000, 0.0000848600000000 ] - [ 0.0047758200000000, 0.0031002700000000, -0.0026760100000000 ] - [ -0.0001066000000000, 0.0000865900000000, 0.0000365500000000 ] - [ 0.0002072700000000, 0.0001701400000000, 0.0000061600000000 ] - [ -0.0065137800000000, -0.0006213200000000, -0.0030209500000000 ] - [ -0.0008181100000000, -0.0005582900000000, -0.0003276900000000 ] - [ -0.0005872000000000, -0.0007070000000000, 0.0001610500000000 ] - [ -0.0002333200000000, 0.0001895000000000, 0.0001728000000000 ] - [ 0.0006431000000000, -0.0008550200000000, 0.0002173300000000 ] - [ -0.0007235600000000, -0.0005536500000000, 0.0003135300000000 ] - [ -0.0003969500000000, -0.0006055700000000, 0.0000848900000000 ] - [ 0.0005271200000000, -0.0008040900000000, 0.0000852100000000 ] - [ 0.0011224500000000, 0.0003704100000000, -0.0003418900000000 ] - [ 0.0003842900000000, -0.0008473400000000, 0.0000700600000000 ] - [ 0.0028323600000000, -0.0053926600000000, 0.0047983700000000 ] - [ 0.0009996100000000, -0.0014699400000000, -0.0008012300000000 ] - [ 0.0014719000000000, -0.0010859600000000, -0.0004296000000000 ] - [ -0.0003182300000000, -0.0011231700000000, 0.0000401600000000 ] - [ -0.1483545200000000, 0.2534853100000000, 0.0032539000000000 ] - [ 0.0001142100000000, -0.0001626000000000, -0.0003597100000000 ] - [ -0.0009780000000000, 0.0027852200000000, 0.0048071200000000 ] - [ 0.0001246200000000, 0.0004635500000000, 0.0048519700000000 ] - [ -0.0050345100000000, -0.0064253700000000, -0.0006485700000000 ] - [ -0.0011019100000000, -0.0009836000000000, 0.0004214500000000 ] - [ 0.0033374200000000, -0.0033179300000000, -0.0007435500000000 ] - [ 0.0008556900000000, 0.0021882600000000, -0.0001620500000000 ] - [ 0.0017540900000000, 0.0048016500000000, 0.0017496800000000 ] - [ 0.0011348500000000, -0.0015370300000000, 0.0002416400000000 ] - [ 0.0079413600000000, -0.0009456000000000, 0.0022259800000000 ] - [ -0.0027225000000000, 0.0004504100000000, 0.0002952300000000 ] - [ 0.0005382000000000, 0.0004322600000000, 0.0005141700000000 ] - [ 0.0011604900000000, -0.0023542300000000, -0.0002665700000000 ] - [ -0.0005395900000000, -0.0009338300000000, -0.0001171900000000 ] - [ -0.0005672900000000, -0.0042537100000000, 0.0001949000000000 ] - [ 0.0006225200000000, -0.0022039500000000, 0.0002055600000000 ] - [ -0.0004735400000000, 0.0038842200000000, -0.0039027800000000 ] - [ 0.0016130000000000, 0.0004982200000000, 0.0000480300000000 ] - [ 0.0013894700000000, -0.0018261700000000, -0.0000479000000000 ] - [ -0.0035427200000000, 0.0017372500000000, 0.0004520600000000 ] - [ 0.0017246400000000, -0.0010224900000000, -0.0004224000000000 ] - [ 0.0033467400000000, 0.0000292300000000, 0.0006304100000000 ] - [ 0.0010076800000000, -0.0013611100000000, 0.0003459800000000 ] - [ 0.0013313800000000, -0.0019772800000000, -0.0007583900000000 ] - [ 0.0000515100000000, -0.0025271700000000, 0.0004143200000000 ] - [ -0.0043844600000000, -0.0005164200000000, -0.0000552500000000 ] - [ -0.0013568500000000, 0.0027229400000000, 0.0005833300000000 ] - [ -0.0018660000000000, 0.0015789700000000, 0.0006199200000000 ] - [ 0.0013558100000000, -0.0004129300000000, -0.0005872400000000 ] - [ 0.0011625600000000, 0.0010077900000000, -0.0003807800000000 ] - [ 0.0219701200000000, -0.0324007600000000, 0.0107124600000000 ] - [ 0.0245226700000000, 0.0087190200000000, -0.0150308700000000 ] - [ 0.0011562700000000, -0.0002499000000000, 0.0004306000000000 ] - [ -0.0015962500000000, -0.0007547000000000, -0.0005543900000000 ] - [ 0.0007965700000000, -0.0033160100000000, -0.0007702200000000 ] - [ -0.0114283300000000, -0.0166203600000000, -0.0003682100000000 ] - [ -0.0008692100000000, -0.0020710200000000, 0.0002788000000000 ] - [ 0.0023724600000000, -0.0004883800000000, -0.0008855900000000 ] - [ -0.0067080900000000, 0.0063683200000000, -0.0046860300000000 ] - [ 0.0008507900000000, 0.0032935900000000, -0.0002467100000000 ] - [ 0.0027893100000000, -0.0017795200000000, 0.0006318700000000 ] - [ 0.0024380600000000, -0.0008323500000000, -0.0014170800000000 ] - [ -0.0006271300000000, -0.0003744700000000, -0.0007019800000000 ] - [ 0.0002811500000000, -0.0040145900000000, -0.0003309200000000 ] - [ -0.0008725900000000, -0.0028454200000000, -0.0008769300000000 ] - [ 0.0170475200000000, -0.0210927400000000, -0.0280276900000000 ] - [ 0.0007396300000000, 0.0006022600000000, 0.0001895400000000 ] - [ 0.0004657600000000, 0.0017698800000000, -0.0000335500000000 ] - [ 0.0004566300000000, 0.0008780100000000, -0.0000049900000000 ] - [ 0.0019971100000000, -0.0013258600000000, -0.0002364700000000 ] - [ -0.0021227100000000, 0.0000271600000000, -0.0018730700000000 ] - [ 0.0006879000000000, -0.0018371000000000, 0.0000659200000000 ] - [ -0.0016318300000000, -0.0007890900000000, 0.0002617000000000 ] - [ -0.0012812400000000, 0.0011236100000000, -0.0000094600000000 ] - [ -0.0002316100000000, -0.0014106400000000, -0.0009284700000000 ] - [ -0.0004565000000000, 0.0002002000000000, -0.0002330100000000 ] - [ -0.0010774400000000, 0.0014171600000000, -0.0004949100000000 ] - [ -0.0031722200000000, 0.0052949000000000, -0.0086173200000000 ] - [ -0.0013629700000000, -0.0004380500000000, -0.0002292900000000 ] - [ -0.0004095200000000, 0.0005109500000000, -0.0001951000000000 ] - [ 0.0032485800000000, 0.0020033900000000, -0.0055690000000000 ] - [ -0.0004919700000000, -0.0003611800000000, -0.0002409300000000 ] - [ 0.0007742900000000, -0.0010217800000000, -0.0007075600000000 ] - [ 0.0012225500000000, 0.0016943300000000, -0.0004702600000000 ] - [ 0.0009041000000000, 0.0002617000000000, 0.0000086000000000 ] - [ 0.0013811200000000, -0.0061877500000000, 0.0028886400000000 ] - [ 0.0042426200000000, 0.0018591300000000, -0.0005211800000000 ] - [ 0.0002707800000000, 0.0012179700000000, 0.0001316900000000 ] - [ -0.0052846600000000, -0.0107648500000000, 0.0015752300000000 ] - [ -0.0000795800000000, 0.0015273000000000, -0.0007106600000000 ] - [ -0.0128902600000000, 0.0033461800000000, -0.0008961600000000 ] - [ -0.0005788800000000, -0.0000358300000000, -0.0002773300000000 ] - [ -0.0003774900000000, 0.0015244600000000, -0.0000462400000000 ] - [ 0.0004186100000000, 0.0008940200000000, 0.0000521500000000 ] - [ -0.0013537100000000, 0.0014124100000000, -0.0001919700000000 ] - [ 0.0010425700000000, 0.0013093200000000, 0.0011484400000000 ] - [ 0.0010813100000000, -0.0001193600000000, -0.0001124100000000 ] - [ -0.0030209000000000, -0.0023562200000000, -0.0002980000000000 ] - [ 0.0011259600000000, 0.0002047600000000, 0.0000070400000000 ] - [ -0.0006462100000000, 0.0004591700000000, -0.0002128600000000 ] - [ -0.0007444100000000, -0.0004636800000000, 0.0001394000000000 ] - [ -0.0006127700000000, 0.0027817600000000, -0.0000312700000000 ] - [ -0.0012532700000000, -0.0004306300000000, -0.0002774500000000 ] - [ -0.0003074800000000, 0.0016134300000000, -0.0002022200000000 ] - [ -0.0027362200000000, 0.0028133700000000, -0.0002997100000000 ] - [ -0.0020580400000000, -0.0006335800000000, -0.0003413600000000 ] - [ 0.0004923700000000, 0.0012689400000000, 0.0000196800000000 ] - [ -0.0018730400000000, -0.0011935100000000, 0.0002428600000000 ] - [ 0.0009382900000000, 0.0035394400000000, 0.0003734700000000 ] - [ -0.0008386300000000, -0.0005741800000000, 0.0001618700000000 ] - [ 0.0243635500000000, -0.1116504000000000, 0.0490208400000000 ] - [ 0.0010847000000000, 0.0005968200000000, 0.0000702100000000 ] - [ -0.0005576900000000, -0.0009725800000000, 0.0006411200000000 ] - [ 0.0018531000000000, 0.0007104200000000, 0.0003062900000000 ] - [ 0.0004391400000000, -0.0002066000000000, -0.0000900600000000 ] - [ 0.0013376900000000, -0.0028449100000000, -0.0015026000000000 ] - [ 0.0002623900000000, 0.0019596000000000, -0.0002750300000000 ] - [ -0.0006148100000000, 0.0009672000000000, 0.0007163400000000 ] - [ -0.0115117500000000, -0.0464290000000000, -0.0165219000000000 ] - [ 0.0001753400000000, 0.0008580100000000, -0.0004290200000000 ] - [ 0.0004076800000000, -0.0000823000000000, -0.0005744400000000 ] - [ 0.0046072400000000, 0.0025587200000000, 0.0004687000000000 ] - [ -0.0005535700000000, 0.0001240400000000, -0.0001966900000000 ] - [ 0.0001543000000000, 0.0004667600000000, -0.0002240500000000 ] - [ -0.0007340800000000, 0.0009632200000000, -0.0005172800000000 ] - [ -0.0007209700000000, 0.0003238700000000, 0.0010010500000000 ] - [ 0.0058712900000000, -0.0024118900000000, 0.0023254200000000 ] - [ 0.0007106500000000, 0.0021318000000000, 0.0003583000000000 ] - [ 0.0005575700000000, 0.0002617200000000, -0.0000924200000000 ] - [ -0.0009055900000000, -0.0002851900000000, -0.0003207600000000 ] - [ -0.0013827400000000, 0.0023076300000000, -0.0003100000000000 ] - [ 0.0003548200000000, 0.0002080600000000, 0.0008892000000000 ] - [ 0.0011246400000000, -0.0010042000000000, -0.0005524500000000 ] - [ -0.0006759000000000, 0.0015066900000000, 0.0002261600000000 ] - [ -0.0011489300000000, -0.0005235400000000, -0.0001815600000000 ] - [ -0.0012540400000000, 0.0008771400000000, 0.0010701200000000 ] - [ 0.1061009400000000, -0.0444357500000000, -0.0066286400000000 ] - [ 0.0001437500000000, 0.0004042100000000, -0.0001052400000000 ] - [ -0.0002361300000000, -0.0005150900000000, 0.0001821500000000 ] - [ -0.0030584100000000, -0.0022145300000000, 0.0109132200000000 ] - [ -0.0005213400000000, 0.0107296200000000, 0.0018809300000000 ] - [ -0.0013820500000000, 0.0028681300000000, 0.0008166500000000 ] - [ -0.0001868600000000, 0.0011346700000000, 0.0001563600000000 ] - [ 0.0011352200000000, 0.0009407800000000, 0.0000029700000000 ] - [ -0.0003310800000000, 0.0003762300000000, -0.0000399400000000 ] - [ -0.0001979500000000, 0.0001520300000000, -0.0001086200000000 ] - [ 0.0015276500000000, -0.0020429100000000, 0.0000778800000000 ] - [ -0.0007470100000000, 0.0009343800000000, 0.0001634000000000 ] - [ -0.0070930500000000, 0.0023813600000000, 0.0014143900000000 ] - [ -0.0016712800000000, 0.0004592000000000, 0.0001674100000000 ] - [ 0.0006455800000000, 0.0003923800000000, -0.0001696500000000 ] - [ -0.0002549800000000, -0.0004764500000000, -0.0001639900000000 ] - [ -0.0019087800000000, 0.0006442300000000, 0.0000509600000000 ] - [ -0.0004066300000000, -0.0024374700000000, 0.0009145100000000 ] - [ -0.0015784200000000, -0.0001688800000000, 0.0003027000000000 ] - [ -0.0013992600000000, 0.0022895400000000, 0.0005103000000000 ] - [ -0.0005575400000000, 0.0003347600000000, 0.0008506000000000 ] - [ -0.0005832500000000, 0.0008566500000000, -0.0000938100000000 ] - [ 0.0010122700000000, -0.0014525200000000, -0.0006417000000000 ] - [ -0.0010395500000000, 0.0017784700000000, 0.0002811500000000 ] - [ -0.0010103000000000, 0.0009398800000000, 0.0002047000000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000645000000000, 0.0001062300000000, -0.0000252300000000 ] - [ -0.0016926900000000, -0.0015087900000000, 0.0034085600000000 ] - [ 0.0001723400000000, 0.0000399800000000, -0.0000187700000000 ] - [ 0.0001158500000000, -0.0003177100000000, 0.0005835300000000 ] - [ 0.0030038000000000, 0.0002781900000000, 0.0043762800000000 ] - [ -0.0012105600000000, 0.0023463300000000, 0.0034246000000000 ] - [ 0.0000182700000000, -0.0000005800000000, 0.0001408300000000 ] - [ 0.0000619100000000, 0.0000103800000000, 0.0001913000000000 ] - [ -0.0000547400000000, -0.0000509400000000, -0.0000443500000000 ] - [ -0.0057885400000000, 0.0002294200000000, -0.0010026300000000 ] - [ 0.0001739800000000, 0.0001769200000000, -0.0000656000000000 ] - [ 0.0000370500000000, -0.0000188100000000, 0.0001328200000000 ] - [ 0.0035962600000000, 0.0060712800000000, -0.0015528000000000 ] - [ 0.0000321500000000, 0.0001724300000000, 0.0006916300000000 ] - [ -0.0001198800000000, 0.0000155200000000, 0.0001313100000000 ] - [ -0.0000323000000000, 0.0001373700000000, 0.0003087200000000 ] - [ 0.0000488100000000, -0.0001085700000000, 0.0000321000000000 ] - [ -0.0000619200000000, -0.0000836100000000, -0.0001751400000000 ] - [ -0.0000575600000000, 0.0001366000000000, 0.0001485400000000 ] - [ 0.0000163600000000, -0.0000395600000000, 0.0001792700000000 ] - [ 0.0001111200000000, -0.0001158800000000, 0.0002221200000000 ] - [ 0.0000334300000000, -0.0000443500000000, -0.0000619800000000 ] - [ 0.0024805500000000, -0.0033976100000000, -0.0008481800000000 ] - [ -0.0000819000000000, 0.0001831900000000, -0.0005736300000000 ] - [ 0.0000967400000000, -0.0007674600000000, -0.0001398900000000 ] - [ -0.0001430500000000, 0.0000450700000000, -0.0001117300000000 ] - [ 0.0014360200000000, -0.0037590600000000, -0.2760219200000000 ] - [ 0.0004219800000000, 0.0000421600000000, 0.0000647600000000 ] - [ -0.0041460800000000, -0.0071578000000000, 0.0013045800000000 ] - [ -0.0019024800000000, 0.0046286600000000, 0.0059327500000000 ] - [ -0.0026082400000000, -0.0021315200000000, -0.0012974300000000 ] - [ -0.0000471700000000, -0.0000073100000000, 0.0004983400000000 ] - [ -0.0002960100000000, 0.0004773800000000, 0.0005317100000000 ] - [ -0.0009713300000000, 0.0002682200000000, 0.0003286000000000 ] - [ -0.0002868000000000, 0.0003917600000000, -0.0013024200000000 ] - [ -0.0001774400000000, 0.0001957400000000, 0.0001781400000000 ] - [ 0.0021217300000000, -0.0002535700000000, 0.0011591600000000 ] - [ -0.0006318600000000, 0.0009660000000000, 0.0005960900000000 ] - [ 0.0002584400000000, 0.0000197100000000, 0.0003226100000000 ] - [ 0.0002898200000000, -0.0004843900000000, 0.0005289600000000 ] - [ -0.0000045200000000, 0.0000679800000000, 0.0001257900000000 ] - [ -0.0009170000000000, 0.0010644000000000, -0.0014400900000000 ] - [ -0.0000527200000000, 0.0000976600000000, 0.0002099900000000 ] - [ 0.0057280800000000, -0.0017815800000000, 0.0059255900000000 ] - [ 0.0003223700000000, 0.0000176700000000, -0.0001237100000000 ] - [ 0.0001722300000000, 0.0005090300000000, -0.0003728900000000 ] - [ 0.0017515000000000, -0.0006643000000000, -0.0017069400000000 ] - [ 0.0006275700000000, -0.0003106900000000, -0.0003524900000000 ] - [ -0.0009609900000000, -0.0000147700000000, 0.0010447200000000 ] - [ 0.0008346200000000, 0.0000678100000000, 0.0002458400000000 ] - [ -0.0000056500000000, 0.0002106000000000, -0.0007475600000000 ] - [ 0.0006350900000000, -0.0002801900000000, 0.0004264800000000 ] - [ -0.0006510600000000, -0.0004339500000000, 0.0001826300000000 ] - [ 0.0009508600000000, 0.0003379400000000, 0.0000225100000000 ] - [ -0.0022292100000000, 0.0000378500000000, 0.0000589300000000 ] - [ 0.0004331600000000, 0.0000103600000000, -0.0006962800000000 ] - [ -0.0001546500000000, 0.0005476400000000, -0.0007595400000000 ] - [ 0.0127017500000000, -0.0142759500000000, 0.0038414500000000 ] - [ -0.0102639400000000, 0.0010768300000000, 0.0018731900000000 ] - [ -0.0003058500000000, -0.0008866700000000, 0.0002659200000000 ] - [ -0.0005243900000000, 0.0002158300000000, -0.0003821900000000 ] - [ -0.0001602400000000, -0.0009183900000000, -0.0008431900000000 ] - [ 0.0026897400000000, 0.0111965300000000, -0.0134518500000000 ] - [ 0.0000600900000000, -0.0014952200000000, -0.0011025500000000 ] - [ 0.0000956000000000, -0.0003657200000000, -0.0005445000000000 ] - [ 0.0046084600000000, -0.0016441900000000, 0.0488197100000000 ] - [ 0.0002937800000000, -0.0001753900000000, -0.0005409900000000 ] - [ 0.0006258800000000, 0.0005162500000000, 0.0005638700000000 ] - [ 0.0011942300000000, -0.0004176900000000, 0.0003771400000000 ] - [ 0.0003793800000000, 0.0005082900000000, -0.0004233500000000 ] - [ -0.0011328000000000, -0.0002772000000000, 0.0003881400000000 ] - [ 0.0007240400000000, 0.0022373800000000, -0.0002331700000000 ] - [ -0.0277125400000000, 0.0171788600000000, 0.1419985500000000 ] - [ 0.0003916600000000, 0.0002223400000000, 0.0000848200000000 ] - [ 0.0004316800000000, 0.0003590200000000, 0.0001538100000000 ] - [ -0.0004535600000000, 0.0000562200000000, -0.0000264000000000 ] - [ -0.0002764000000000, -0.0006672200000000, -0.0005208600000000 ] - [ -0.0002341000000000, 0.0001940900000000, -0.0014652200000000 ] - [ -0.0008405700000000, 0.0004614100000000, 0.0000712900000000 ] - [ -0.0008155400000000, -0.0000181500000000, 0.0000996100000000 ] - [ -0.0003689600000000, 0.0001469500000000, -0.0000169800000000 ] - [ -0.0007786200000000, 0.0000748600000000, 0.0007312000000000 ] - [ 0.0002857000000000, -0.0004155900000000, 0.0000056400000000 ] - [ -0.0006834500000000, 0.0003382800000000, -0.0003135800000000 ] - [ -0.0010227700000000, 0.0012850800000000, -0.0053489000000000 ] - [ 0.0002111000000000, 0.0005103500000000, 0.0001596900000000 ] - [ 0.0005050500000000, -0.0000287600000000, -0.0000382800000000 ] - [ 0.0020923000000000, 0.0024340400000000, 0.0089981000000000 ] - [ -0.0001697300000000, -0.0001645700000000, 0.0001066800000000 ] - [ 0.0005013700000000, 0.0008954800000000, 0.0007968100000000 ] - [ -0.0000745000000000, -0.0026077600000000, -0.0010948700000000 ] - [ 0.0000892800000000, -0.0003352600000000, 0.0000557800000000 ] - [ 0.0010517300000000, 0.0088771300000000, -0.0105554400000000 ] - [ 0.0011928200000000, 0.0006694000000000, 0.0002540200000000 ] - [ 0.0000199600000000, 0.0002086300000000, 0.0016639300000000 ] - [ 0.0014003900000000, 0.0007241300000000, 0.0005652100000000 ] - [ -0.0003773800000000, 0.0006830600000000, -0.0003300800000000 ] - [ -0.0061999200000000, 0.0010898300000000, 0.0016033400000000 ] - [ -0.0006651600000000, -0.0003161900000000, -0.0003851600000000 ] - [ 0.0001990200000000, -0.0008832800000000, -0.0001334700000000 ] - [ -0.0000920800000000, 0.0002704600000000, -0.0000220300000000 ] - [ 0.0004366500000000, 0.0001198800000000, -0.0000387900000000 ] - [ 0.0003051000000000, -0.0007168400000000, 0.0011211900000000 ] - [ -0.0000678000000000, -0.0000844100000000, -0.0002988800000000 ] - [ -0.0008072300000000, -0.0004854600000000, 0.0002017900000000 ] - [ 0.0003665100000000, -0.0002870500000000, 0.0000848200000000 ] - [ 0.0000252400000000, 0.0008782000000000, -0.0003833600000000 ] - [ -0.0002161900000000, -0.0002007000000000, 0.0000429800000000 ] - [ -0.0003020300000000, 0.0005651400000000, 0.0000807400000000 ] - [ -0.0002377200000000, -0.0000703100000000, -0.0001773100000000 ] - [ 0.0001782200000000, 0.0000839200000000, -0.0001360200000000 ] - [ -0.0005039800000000, 0.0007385800000000, -0.0000469000000000 ] - [ 0.0013008500000000, -0.0016543600000000, -0.0010367800000000 ] - [ 0.0002859700000000, -0.0000095100000000, 0.0000584600000000 ] - [ 0.0003915100000000, -0.0000645200000000, -0.0007545400000000 ] - [ 0.0005262800000000, -0.0052978300000000, 0.0016277000000000 ] - [ -0.0001280300000000, -0.0004346000000000, 0.0001683700000000 ] - [ 0.0070070500000000, -0.0522925300000000, 0.0447291300000000 ] - [ -0.0001875500000000, 0.0003880400000000, 0.0001518000000000 ] - [ -0.0000434500000000, -0.0000091600000000, 0.0003903000000000 ] - [ -0.0000792300000000, -0.0004370300000000, -0.0003676000000000 ] - [ 0.0003971300000000, 0.0004730900000000, -0.0000214500000000 ] - [ 0.0036503600000000, -0.0048215000000000, -0.0135557700000000 ] - [ 0.0010886700000000, 0.0001524500000000, -0.0002228200000000 ] - [ -0.0000676900000000, -0.0000157900000000, 0.0009321900000000 ] - [ 0.0295888000000000, 0.0343542200000000, 0.0420483300000000 ] - [ -0.0002467900000000, -0.0000856800000000, -0.0000830500000000 ] - [ 0.0001093600000000, 0.0013685700000000, -0.0001350400000000 ] - [ -0.0039008900000000, -0.0032852700000000, 0.0012897100000000 ] - [ -0.0011611600000000, 0.0013787200000000, -0.0008501700000000 ] - [ 0.0001445700000000, -0.0000806500000000, -0.0001169400000000 ] - [ 0.0000703700000000, 0.0000833000000000, -0.0004442300000000 ] - [ 0.0000055600000000, 0.0001165700000000, 0.0006998400000000 ] - [ -0.0108185300000000, -0.0008249900000000, -0.0107526400000000 ] - [ -0.0000773100000000, -0.0005871000000000, -0.0000273500000000 ] - [ 0.0000888500000000, -0.0001672800000000, -0.0002305300000000 ] - [ -0.0002061500000000, -0.0000390300000000, -0.0001020600000000 ] - [ 0.0000696700000000, -0.0000034900000000, -0.0000140100000000 ] - [ -0.0001263300000000, -0.0000233900000000, 0.0005519800000000 ] - [ 0.0019914900000000, 0.0011037200000000, -0.0006947200000000 ] - [ 0.0000306200000000, 0.0000082600000000, -0.0004927300000000 ] - [ 0.0002498200000000, 0.0000082100000000, 0.0000097500000000 ] - [ -0.0001414500000000, -0.0000505600000000, -0.0007770300000000 ] - [ -0.0080756100000000, 0.0023705300000000, 0.0192431500000000 ] - [ -0.0000473000000000, -0.0002445800000000, -0.0003878800000000 ] - [ 0.0003039800000000, -0.0002675900000000, 0.0001611300000000 ] - [ 0.0021745500000000, 0.0001638300000000, -0.0025796700000000 ] - [ -0.0012928100000000, 0.0066571900000000, 0.0020555800000000 ] - [ -0.0002090400000000, 0.0000064000000000, 0.0003370900000000 ] - [ 0.0001680500000000, 0.0000735500000000, 0.0002220200000000 ] - [ -0.0000379200000000, 0.0000673400000000, -0.0000507600000000 ] - [ -0.0000451400000000, -0.0002295200000000, -0.0001627400000000 ] - [ 0.0001957100000000, 0.0001665900000000, -0.0000211100000000 ] - [ 0.0002712400000000, -0.0002314900000000, 0.0002227000000000 ] - [ -0.0001020200000000, 0.0001640400000000, 0.0000367800000000 ] - [ 0.0008734700000000, -0.0004967300000000, -0.0003731900000000 ] - [ -0.0002911900000000, 0.0000106100000000, -0.0000018700000000 ] - [ 0.0001505700000000, -0.0001541700000000, -0.0001918400000000 ] - [ -0.0006272400000000, -0.0000020800000000, -0.0000854500000000 ] - [ 0.0004351100000000, -0.0001708900000000, -0.0000327300000000 ] - [ -0.0014409700000000, -0.0004686500000000, -0.0008569800000000 ] - [ -0.0004446600000000, -0.0002412500000000, 0.0000335400000000 ] - [ -0.0004045400000000, 0.0006526500000000, -0.0000225400000000 ] - [ -0.0000880200000000, 0.0000281100000000, 0.0009004500000000 ] - [ -0.0001219500000000, -0.0007036900000000, -0.0003379300000000 ] - [ 0.0011475300000000, -0.0004983300000000, -0.0005728100000000 ] - [ -0.0001077800000000, 0.0005917800000000, 0.0001894900000000 ] - [ -0.0005969400000000, 0.0002525100000000, -0.0000762200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000186200000000, -0.0000732100000000, 0.0002515400000000 ] - [ 0.0016992200000000, 0.0015328300000000, -0.0032793700000000 ] - [ -0.0000605100000000, 0.0001084500000000, 0.0004740800000000 ] - [ -0.0002271200000000, 0.0001683000000000, -0.0001229800000000 ] - [ -0.0033346900000000, -0.0004877000000000, -0.0043444400000000 ] - [ 0.0014074800000000, -0.0024034600000000, -0.0029601200000000 ] - [ -0.0000176400000000, 0.0000006400000000, -0.0000329700000000 ] - [ -0.0000149000000000, -0.0000433200000000, 0.0000362600000000 ] - [ 0.0000544500000000, 0.0000499200000000, 0.0001508000000000 ] - [ 0.0058640700000000, -0.0003954500000000, 0.0014406300000000 ] - [ 0.0001186000000000, 0.0000286100000000, 0.0000985600000000 ] - [ -0.0000357200000000, 0.0000198700000000, -0.0000788000000000 ] - [ -0.0035884700000000, -0.0060556600000000, 0.0016465000000000 ] - [ -0.0000841300000000, -0.0001951800000000, -0.0004613300000000 ] - [ -0.0000659000000000, 0.0000059500000000, 0.0003279800000000 ] - [ -0.0000407600000000, 0.0000315500000000, 0.0001519700000000 ] - [ -0.0000533200000000, 0.0000519900000000, 0.0001932500000000 ] - [ 0.0001115900000000, 0.0001057800000000, 0.0003998400000000 ] - [ 0.0000241600000000, 0.0002205200000000, -0.0001135300000000 ] - [ -0.0000105600000000, 0.0000946700000000, 0.0000474700000000 ] - [ 0.0002172500000000, -0.0000364600000000, -0.0001843200000000 ] - [ -0.0000339800000000, 0.0000423900000000, 0.0001147200000000 ] - [ -0.0024391900000000, 0.0030284900000000, 0.0008628000000000 ] - [ -0.0002430400000000, -0.0000321700000000, 0.0006060600000000 ] - [ -0.0002302300000000, -0.0005126200000000, -0.0003598900000000 ] - [ -0.0001235600000000, 0.0003111500000000, 0.0000654500000000 ] - [ 0.0041319200000000, 0.0001756000000000, 0.2660168600000000 ] - [ 0.0007465700000000, 0.0004885000000000, -0.0005618300000000 ] - [ 0.0040992500000000, 0.0071717500000000, -0.0005007800000000 ] - [ 0.0015846500000000, -0.0062692600000000, -0.0060278000000000 ] - [ 0.0009978700000000, 0.0015485900000000, 0.0011898400000000 ] - [ 0.0000632000000000, -0.0000380100000000, 0.0003049100000000 ] - [ 0.0002446000000000, -0.0004579200000000, 0.0002819000000000 ] - [ -0.0000790500000000, 0.0004906100000000, -0.0008253800000000 ] - [ 0.0005860800000000, 0.0012656800000000, 0.0011848800000000 ] - [ -0.0002538600000000, -0.0002592000000000, -0.0002190100000000 ] - [ -0.0020893600000000, 0.0002938600000000, -0.0003538800000000 ] - [ -0.0006703500000000, 0.0001346300000000, -0.0007024700000000 ] - [ -0.0002772700000000, -0.0000613300000000, 0.0004754700000000 ] - [ -0.0000212100000000, 0.0001236500000000, -0.0005743600000000 ] - [ 0.0001809600000000, 0.0003462300000000, -0.0001615300000000 ] - [ -0.0002532700000000, -0.0015906800000000, 0.0009357600000000 ] - [ 0.0001023400000000, -0.0001101200000000, 0.0005922300000000 ] - [ -0.0040811700000000, 0.0023443400000000, -0.0060354100000000 ] - [ 0.0001114500000000, 0.0000455600000000, 0.0000815100000000 ] - [ -0.0000346400000000, 0.0007681900000000, -0.0001282200000000 ] - [ -0.0019180300000000, 0.0002462800000000, 0.0016645600000000 ] - [ 0.0004223100000000, -0.0004464400000000, -0.0001461900000000 ] - [ 0.0012294200000000, -0.0010175400000000, -0.0021762700000000 ] - [ 0.0008299200000000, 0.0003087200000000, 0.0004274800000000 ] - [ -0.0002108600000000, 0.0004169400000000, -0.0005278800000000 ] - [ 0.0005354300000000, -0.0009628100000000, 0.0002437400000000 ] - [ 0.0013075200000000, -0.0001261100000000, 0.0001806500000000 ] - [ -0.0011048600000000, -0.0011562400000000, 0.0003190200000000 ] - [ 0.0010461200000000, 0.0012043700000000, 0.0006040200000000 ] - [ 0.0002845300000000, -0.0001287300000000, -0.0005703300000000 ] - [ -0.0001173900000000, 0.0004855500000000, -0.0003775700000000 ] - [ -0.0125240800000000, 0.0151252800000000, -0.0034447300000000 ] - [ 0.0094720400000000, -0.0013498800000000, -0.0013870400000000 ] - [ -0.0001932100000000, -0.0007408700000000, 0.0004043800000000 ] - [ -0.0005321000000000, 0.0000639400000000, -0.0007547000000000 ] - [ -0.0005815200000000, 0.0001440800000000, -0.0002938100000000 ] - [ -0.0016154400000000, -0.0114035300000000, 0.0122485900000000 ] - [ -0.0004731400000000, 0.0009151000000000, -0.0001721000000000 ] - [ 0.0001223800000000, -0.0002640600000000, -0.0007284200000000 ] - [ -0.0054032100000000, 0.0022835100000000, -0.0481764800000000 ] - [ -0.0010078100000000, 0.0002946000000000, -0.0007229000000000 ] - [ -0.0001228600000000, 0.0011086700000000, 0.0001088100000000 ] - [ -0.0004406100000000, 0.0011785600000000, -0.0015100500000000 ] - [ 0.0000379500000000, 0.0000640100000000, -0.0008456300000000 ] - [ -0.0005299400000000, -0.0000999000000000, 0.0002919100000000 ] - [ 0.0000542300000000, -0.0019413200000000, 0.0005768400000000 ] - [ 0.0260094700000000, -0.0154773600000000, -0.1324006100000000 ] - [ 0.0003362900000000, 0.0001303100000000, 0.0001779300000000 ] - [ 0.0004312900000000, -0.0000995900000000, 0.0001111100000000 ] - [ -0.0003305300000000, 0.0004030300000000, 0.0001056700000000 ] - [ 0.0004446600000000, 0.0005077500000000, 0.0004790100000000 ] - [ 0.0004167500000000, 0.0000873000000000, 0.0013392900000000 ] - [ 0.0008998000000000, 0.0000305300000000, -0.0004100800000000 ] - [ -0.0002800100000000, -0.0000203500000000, -0.0001008800000000 ] - [ -0.0003427700000000, 0.0001049100000000, -0.0000350400000000 ] - [ 0.0002128800000000, 0.0003106100000000, -0.0005458000000000 ] - [ 0.0003312300000000, -0.0005631200000000, 0.0000147700000000 ] - [ -0.0007141500000000, 0.0005588200000000, -0.0004005500000000 ] - [ 0.0015799000000000, -0.0016673600000000, 0.0054916300000000 ] - [ -0.0002171200000000, 0.0004012000000000, -0.0000801400000000 ] - [ 0.0005877900000000, 0.0000675000000000, 0.0000363500000000 ] - [ -0.0022306400000000, -0.0021056800000000, -0.0090770000000000 ] - [ -0.0000146800000000, -0.0001175200000000, -0.0002253600000000 ] - [ -0.0004101000000000, -0.0005269600000000, -0.0012193700000000 ] - [ 0.0001265200000000, 0.0028164900000000, 0.0010532900000000 ] - [ 0.0001321400000000, -0.0001606000000000, 0.0000313100000000 ] - [ -0.0004918700000000, -0.0086872800000000, 0.0104096800000000 ] - [ -0.0009649800000000, -0.0006035000000000, -0.0002992200000000 ] - [ 0.0001345100000000, -0.0001783900000000, -0.0000404600000000 ] - [ -0.0014245100000000, -0.0009241000000000, -0.0006268200000000 ] - [ -0.0000105700000000, -0.0003838300000000, 0.0000009700000000 ] - [ 0.0066014400000000, -0.0014615200000000, -0.0017416000000000 ] - [ -0.0008056100000000, -0.0004417500000000, -0.0003268400000000 ] - [ -0.0003113000000000, 0.0003282000000000, -0.0000060900000000 ] - [ -0.0000243000000000, 0.0004458300000000, -0.0000203700000000 ] - [ -0.0002232300000000, 0.0007534400000000, 0.0003057000000000 ] - [ -0.0003539600000000, 0.0000353600000000, -0.0009398300000000 ] - [ -0.0005471400000000, -0.0002119900000000, 0.0004746200000000 ] - [ 0.0002376600000000, -0.0000031500000000, -0.0002520000000000 ] - [ 0.0002878000000000, -0.0003299100000000, 0.0001783700000000 ] - [ 0.0000551400000000, 0.0007763500000000, -0.0003310400000000 ] - [ -0.0000953900000000, -0.0002489300000000, 0.0000416500000000 ] - [ -0.0004959600000000, -0.0010069000000000, 0.0000020500000000 ] - [ -0.0002180100000000, -0.0001241000000000, -0.0001590100000000 ] - [ 0.0002768600000000, 0.0001114000000000, -0.0001998800000000 ] - [ 0.0008101500000000, -0.0002848100000000, 0.0001300500000000 ] - [ -0.0012864300000000, 0.0007385600000000, 0.0011133000000000 ] - [ 0.0002593700000000, -0.0000400100000000, 0.0000279500000000 ] - [ -0.0010576900000000, 0.0005024700000000, 0.0010128100000000 ] - [ -0.0012461600000000, 0.0049204200000000, -0.0013620200000000 ] - [ -0.0000849000000000, -0.0004373600000000, 0.0000986600000000 ] - [ -0.0074059100000000, 0.0539598400000000, -0.0448877000000000 ] - [ 0.0007192600000000, 0.0005907600000000, -0.0001508100000000 ] - [ 0.0001527600000000, -0.0001185100000000, 0.0012317100000000 ] - [ 0.0004234700000000, 0.0003712800000000, 0.0001015900000000 ] - [ -0.0004618100000000, -0.0005827700000000, 0.0000375700000000 ] - [ -0.0037390700000000, 0.0051168900000000, 0.0133559700000000 ] - [ 0.0003826900000000, 0.0006039900000000, -0.0004893800000000 ] - [ 0.0000121300000000, -0.0001337300000000, 0.0006836600000000 ] - [ -0.0295023500000000, -0.0356551900000000, -0.0419089700000000 ] - [ -0.0002876400000000, -0.0008915200000000, 0.0000837700000000 ] - [ 0.0000085900000000, -0.0020732500000000, 0.0000923900000000 ] - [ 0.0032157800000000, 0.0038702100000000, -0.0010169500000000 ] - [ 0.0019462900000000, -0.0009197400000000, 0.0009363100000000 ] - [ 0.0001338100000000, -0.0001820100000000, -0.0003142600000000 ] - [ 0.0002929600000000, 0.0000265000000000, 0.0000150300000000 ] - [ 0.0000484000000000, 0.0000337200000000, 0.0009136000000000 ] - [ 0.0105643400000000, 0.0007541900000000, 0.0106677500000000 ] - [ 0.0001452100000000, 0.0006962100000000, 0.0000428700000000 ] - [ 0.0000684900000000, -0.0001348100000000, 0.0001093200000000 ] - [ -0.0001582600000000, -0.0000699400000000, -0.0003248800000000 ] - [ 0.0000030400000000, -0.0001206900000000, 0.0000289000000000 ] - [ -0.0000285700000000, -0.0000048500000000, 0.0010644200000000 ] - [ -0.0021978900000000, -0.0006039400000000, 0.0007837600000000 ] - [ -0.0003115500000000, 0.0002576800000000, 0.0000570700000000 ] - [ -0.0001177700000000, -0.0000121200000000, 0.0000059000000000 ] - [ -0.0002015200000000, 0.0000674500000000, 0.0006483400000000 ] - [ 0.0068568300000000, -0.0020954300000000, -0.0192965000000000 ] - [ -0.0000427000000000, -0.0001239900000000, -0.0000437900000000 ] - [ 0.0003642000000000, -0.0001718500000000, 0.0000978500000000 ] - [ -0.0021711300000000, 0.0005201500000000, 0.0027137800000000 ] - [ 0.0014938500000000, -0.0063685500000000, -0.0023111100000000 ] - [ -0.0003355800000000, 0.0000386200000000, -0.0002534400000000 ] - [ 0.0001704700000000, -0.0000872300000000, -0.0003427700000000 ] - [ -0.0004946700000000, -0.0002433000000000, -0.0000840800000000 ] - [ -0.0000178600000000, -0.0002605300000000, -0.0001731600000000 ] - [ 0.0003693500000000, 0.0003209600000000, -0.0000290400000000 ] - [ -0.0001743900000000, -0.0000596500000000, -0.0005053500000000 ] - [ 0.0000272000000000, -0.0000378800000000, -0.0000199800000000 ] - [ -0.0007248600000000, 0.0010395600000000, 0.0002133800000000 ] - [ 0.0001570800000000, -0.0000069700000000, 0.0000178100000000 ] - [ 0.0002349300000000, -0.0001423600000000, -0.0001390600000000 ] - [ 0.0001980000000000, 0.0003787200000000, -0.0000472900000000 ] - [ 0.0002774000000000, -0.0000804500000000, -0.0000209700000000 ] - [ 0.0012163100000000, 0.0002067200000000, 0.0005897300000000 ] - [ 0.0004085000000000, -0.0005612600000000, 0.0002264500000000 ] - [ -0.0002144300000000, 0.0003287000000000, 0.0000441700000000 ] - [ -0.0000220000000000, 0.0000997200000000, 0.0007243300000000 ] - [ 0.0000386900000000, -0.0009499200000000, -0.0003754700000000 ] - [ 0.0002515100000000, -0.0004008500000000, -0.0001398200000000 ] - [ 0.0001379800000000, 0.0002137500000000, 0.0000712500000000 ] - [ -0.0002664400000000, -0.0005055300000000, 0.0003411800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0003983700000000, -0.0008284400000000, 0.0002145800000000 ] - [ 0.0000956800000000, 0.0010983700000000, 0.0004606000000000 ] - [ 0.0011778500000000, 0.0002070200000000, 0.0001521900000000 ] - [ -0.0001708200000000, -0.0001691500000000, 0.0002545100000000 ] - [ -0.0039588700000000, -0.0037595300000000, -0.0031035400000000 ] - [ 0.0027955300000000, -0.0011402000000000, 0.0058778900000000 ] - [ 0.0000024200000000, -0.0007824600000000, 0.0002882900000000 ] - [ 0.0004604400000000, -0.0007309700000000, 0.0000753900000000 ] - [ 0.0021837100000000, 0.0001564000000000, 0.0006394300000000 ] - [ -0.0022510600000000, -0.0043166100000000, 0.0024542600000000 ] - [ 0.0001119900000000, 0.0003546700000000, 0.0000156200000000 ] - [ 0.0016328500000000, 0.0001980200000000, -0.0006096300000000 ] - [ 0.0002449700000000, 0.0012118200000000, -0.0003318700000000 ] - [ -0.0029589800000000, 0.0033615800000000, -0.0020493500000000 ] - [ 0.0002133600000000, 0.0008472700000000, 0.0003418300000000 ] - [ 0.0000294300000000, 0.0002411100000000, 0.0002545700000000 ] - [ 0.0009378000000000, -0.0001603700000000, 0.0000490000000000 ] - [ -0.0018114200000000, 0.0033364600000000, 0.0016042900000000 ] - [ 0.0003066000000000, 0.0009019200000000, -0.0000274300000000 ] - [ 0.0008135900000000, -0.0000534400000000, 0.0001433300000000 ] - [ 0.0011541200000000, -0.0000169100000000, 0.0000691700000000 ] - [ 0.0001352300000000, -0.0009446000000000, -0.0002171900000000 ] - [ 0.0049947500000000, -0.0006416600000000, -0.0041013800000000 ] - [ -0.0003679900000000, -0.0001534300000000, 0.0000035700000000 ] - [ 0.0027363200000000, -0.0007007600000000, -0.0002722400000000 ] - [ 0.0017498600000000, 0.0006515400000000, 0.0001216700000000 ] - [ -0.0013734900000000, -0.0006006300000000, -0.0041785900000000 ] - [ 0.0050735000000000, 0.0065433000000000, -0.0034356400000000 ] - [ -0.2827117700000000, -0.0019444000000000, 0.0006270000000000 ] - [ -0.0028834400000000, 0.0021301000000000, 0.0002156200000000 ] - [ -0.0009223700000000, 0.0004932700000000, -0.0001506700000000 ] - [ -0.0006934300000000, 0.0019685600000000, 0.0003209300000000 ] - [ 0.0023523500000000, -0.0002255900000000, 0.0006947700000000 ] - [ 0.0031326200000000, -0.0059487500000000, -0.0010924300000000 ] - [ 0.0014412300000000, 0.0019473100000000, -0.0001053800000000 ] - [ -0.0000455200000000, -0.0014946600000000, -0.0000093700000000 ] - [ -0.0011791000000000, -0.0018061000000000, 0.0002013200000000 ] - [ -0.0002756400000000, 0.0020503800000000, 0.0000008100000000 ] - [ 0.0010950000000000, -0.0007338500000000, 0.0003922800000000 ] - [ 0.0035718800000000, -0.0021361800000000, 0.0012006600000000 ] - [ -0.0024431100000000, -0.0014949400000000, 0.0001758700000000 ] - [ -0.0021100900000000, -0.0008489700000000, -0.0026314100000000 ] - [ 0.0011025400000000, 0.0007223400000000, 0.0003940000000000 ] - [ 0.0056140600000000, 0.0017258400000000, 0.0012387700000000 ] - [ 0.0024661400000000, -0.0005873700000000, 0.0002172700000000 ] - [ 0.0006945400000000, -0.0005197300000000, -0.0002190100000000 ] - [ -0.0016981200000000, 0.0020556800000000, 0.0069551700000000 ] - [ 0.0007034300000000, -0.0010211700000000, -0.0003053700000000 ] - [ -0.0019481800000000, -0.0046636600000000, -0.0009593900000000 ] - [ 0.0040419000000000, 0.0014451000000000, 0.0009648100000000 ] - [ 0.0013079300000000, -0.0011042900000000, -0.0009922500000000 ] - [ -0.0006563200000000, -0.0012247600000000, 0.0006091800000000 ] - [ 0.0005801700000000, 0.0012094800000000, 0.0001970300000000 ] - [ 0.0012878500000000, 0.0014519300000000, -0.0002033100000000 ] - [ 0.0442657700000000, 0.0031478000000000, 0.0090703400000000 ] - [ 0.0004915500000000, -0.0009742100000000, -0.0006969300000000 ] - [ 0.0012830700000000, -0.0000757700000000, -0.0005673200000000 ] - [ -0.0030546600000000, 0.0010410500000000, 0.0006240600000000 ] - [ 0.0017085200000000, 0.0012575400000000, 0.0014057600000000 ] - [ 0.0028770800000000, -0.0012555200000000, 0.0003697700000000 ] - [ -0.0025360100000000, 0.0027613100000000, -0.0007662600000000 ] - [ 0.0004057400000000, 0.0003553800000000, -0.0005550300000000 ] - [ -0.0044720000000000, -0.0004926600000000, -0.0006826400000000 ] - [ 0.0032072500000000, -0.0166693900000000, -0.0020454800000000 ] - [ 0.0028608400000000, -0.0002711600000000, -0.0006429300000000 ] - [ 0.0017263900000000, 0.0294904000000000, -0.0049957700000000 ] - [ 0.0014999300000000, -0.0026175300000000, -0.0015670600000000 ] - [ 0.0004756400000000, -0.0005461000000000, 0.0002974000000000 ] - [ 0.0041972000000000, -0.0004761400000000, -0.0000335500000000 ] - [ 0.0011603900000000, 0.0034002700000000, -0.0016655600000000 ] - [ 0.0001735100000000, -0.0019388700000000, 0.0013029500000000 ] - [ 0.0005882800000000, 0.0016477900000000, 0.0001508000000000 ] - [ 0.0029142100000000, -0.0052289400000000, 0.0076825600000000 ] - [ 0.0008113500000000, -0.0032026700000000, 0.0004178700000000 ] - [ -0.0005016700000000, -0.0005206700000000, 0.0000447300000000 ] - [ -0.0003769900000000, -0.0011436700000000, -0.0000288000000000 ] - [ -0.0001716700000000, -0.0012171600000000, -0.0001558400000000 ] - [ 0.0007038500000000, 0.0013981600000000, 0.0002818400000000 ] - [ -0.0007736400000000, 0.0018193300000000, -0.0008917900000000 ] - [ -0.0023657400000000, 0.0006208000000000, 0.0001861100000000 ] - [ -0.0013489900000000, 0.0002925500000000, -0.0000266900000000 ] - [ -0.0009510400000000, -0.0003642100000000, 0.0002748700000000 ] - [ -0.0011751100000000, -0.0003037000000000, -0.0003540900000000 ] - [ -0.0004414900000000, 0.0008861500000000, -0.0002977700000000 ] - [ 0.0013964100000000, -0.0008824700000000, -0.0005904600000000 ] - [ -0.0011273200000000, 0.0002958400000000, 0.0000079900000000 ] - [ 0.0004303400000000, 0.0006645600000000, 0.0000141100000000 ] - [ 0.0174357000000000, 0.0004262700000000, -0.0041640200000000 ] - [ -0.0006404200000000, 0.0001210900000000, -0.0000436000000000 ] - [ -0.0062319400000000, 0.0008126100000000, -0.0119669900000000 ] - [ 0.0001353600000000, -0.0015576300000000, 0.0001036000000000 ] - [ 0.0011377700000000, -0.0005516200000000, -0.0000705900000000 ] - [ 0.0813744400000000, 0.0585789400000000, 0.0309770300000000 ] - [ -0.0000284600000000, -0.0006337400000000, -0.0000233100000000 ] - [ 0.0012621700000000, 0.0022060100000000, 0.0043537300000000 ] - [ -0.0010122500000000, -0.0014961500000000, -0.0004819600000000 ] - [ -0.0018837500000000, 0.0041012100000000, -0.0008952700000000 ] - [ 0.0022497100000000, 0.0007330900000000, -0.0004022800000000 ] - [ -0.0041278000000000, -0.0017276800000000, -0.0005411500000000 ] - [ -0.0000029200000000, -0.0009094100000000, -0.0001154200000000 ] - [ 0.0005073100000000, -0.0015618600000000, 0.0001250100000000 ] - [ -0.0000023500000000, 0.0022092500000000, 0.0001619200000000 ] - [ -0.0001042900000000, -0.0009540600000000, 0.0002393000000000 ] - [ -0.0004668100000000, -0.0008087100000000, 0.0000439400000000 ] - [ 0.0000104600000000, 0.0015836200000000, 0.0001479300000000 ] - [ 0.0023292600000000, -0.0008148800000000, 0.0002981600000000 ] - [ -0.0016770300000000, 0.0006733200000000, -0.0002585500000000 ] - [ -0.0015455800000000, 0.0005925800000000, 0.0002546100000000 ] - [ -0.0005370400000000, -0.0006949700000000, 0.0001367500000000 ] - [ -0.0015004600000000, -0.0003350800000000, -0.0003362700000000 ] - [ 0.0001641800000000, 0.0010808800000000, -0.0002604400000000 ] - [ 0.0000915300000000, 0.0012720900000000, 0.0000662800000000 ] - [ 0.0025066000000000, -0.0000704400000000, 0.0001764900000000 ] - [ -0.0009047800000000, -0.0011954200000000, 0.0000870700000000 ] - [ -0.0000693800000000, 0.0043958300000000, 0.0004341000000000 ] - [ 0.0024232600000000, -0.0013253800000000, -0.0012301200000000 ] - [ -0.0011445300000000, 0.0003962300000000, 0.0001557400000000 ] - [ 0.0014120700000000, -0.0013342000000000, 0.0009308500000000 ] - [ -0.0006445600000000, -0.0016560400000000, -0.0014615000000000 ] - [ -0.0009931100000000, 0.0015014600000000, 0.0018871100000000 ] - [ -0.0000844900000000, -0.0007584300000000, -0.0002323500000000 ] - [ -0.0095354000000000, -0.0099896300000000, -0.0001279600000000 ] - [ 0.0060889200000000, -0.0095518800000000, -0.0023444300000000 ] - [ 0.0008443000000000, 0.0010216600000000, -0.0001069400000000 ] - [ -0.0005188500000000, 0.0004251300000000, 0.0009043000000000 ] - [ 0.0031419200000000, 0.0011157200000000, 0.0000802200000000 ] - [ 0.0002116100000000, 0.0032247300000000, -0.0009426400000000 ] - [ 0.0286569800000000, -0.0269616300000000, 0.0100917100000000 ] - [ 0.0055049900000000, 0.0001469600000000, 0.0017230400000000 ] - [ -0.0026055700000000, 0.0007051700000000, -0.0004602600000000 ] - [ -0.0009000600000000, -0.0006843700000000, -0.0004595900000000 ] - [ 0.0001017300000000, 0.0006800900000000, -0.0002129900000000 ] - [ -0.0012240600000000, 0.0000482800000000, 0.0008367400000000 ] - [ -0.0046842400000000, -0.0050860900000000, -0.0000742800000000 ] - [ 0.0013716800000000, 0.0005918900000000, 0.0005989400000000 ] - [ 0.0006002400000000, -0.0011498500000000, 0.0001134200000000 ] - [ -0.0014218300000000, 0.0001880400000000, -0.0004094300000000 ] - [ -0.0009738400000000, 0.0011078300000000, -0.0003707200000000 ] - [ -0.0008118300000000, -0.0019245300000000, 0.0027817000000000 ] - [ 0.1204198800000000, -0.0283708800000000, -0.0368773300000000 ] - [ -0.0011313900000000, 0.0012226000000000, -0.0012529000000000 ] - [ -0.0025991800000000, 0.0011486500000000, -0.0004821800000000 ] - [ -0.0015028400000000, 0.0002037800000000, -0.0005385900000000 ] - [ -0.0005325000000000, -0.0007121000000000, 0.0007276600000000 ] - [ 0.0006101700000000, 0.0001767100000000, -0.0005147900000000 ] - [ 0.0000889700000000, 0.0000523600000000, 0.0001483800000000 ] - [ -0.0015387500000000, -0.0005251500000000, -0.0013558500000000 ] - [ 0.0006222400000000, -0.0002507900000000, -0.0001918800000000 ] - [ -0.0013685500000000, 0.0006624600000000, 0.0003588600000000 ] - [ -0.0002402400000000, -0.0003097400000000, -0.0000590100000000 ] - [ -0.0004528900000000, -0.0013402000000000, -0.0001510200000000 ] - [ 0.0001724600000000, 0.0004242000000000, -0.0000850100000000 ] - [ 0.0000240600000000, 0.0007862700000000, -0.0001457600000000 ] - [ -0.0000440200000000, -0.0009806100000000, 0.0000286000000000 ] - [ -0.0017002400000000, 0.0003480000000000, 0.0000673600000000 ] - [ -0.0012617700000000, 0.0003515200000000, -0.0003163200000000 ] - [ -0.0001601500000000, 0.0005498700000000, 0.0000586700000000 ] - [ -0.0013613700000000, -0.0010970900000000, 0.0002497600000000 ] - [ -0.0012970200000000, -0.0001631200000000, -0.0000939800000000 ] - [ -0.0017623700000000, -0.0000745900000000, 0.0000522100000000 ] - [ -0.0018335200000000, -0.0016029100000000, 0.0001012100000000 ] - [ -0.0027214100000000, -0.0002964900000000, 0.0001974500000000 ] - [ -0.0016726500000000, 0.0021651100000000, 0.0002423000000000 ] - [ -0.0001750200000000, 0.0005226200000000, 0.0008734100000000 ] - [ -0.0000837400000000, 0.0001010900000000, -0.0001421700000000 ] - [ -0.0090827300000000, 0.0037271700000000, 0.0012887400000000 ] - [ -0.0006472200000000, 0.0005080100000000, 0.0001033600000000 ] - [ -0.0021140700000000, 0.0001129500000000, -0.0000052600000000 ]- atom: 29 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0004514900000000, 0.0008611700000000, 0.0000111700000000 ] - [ -0.0000986600000000, -0.0011003800000000, -0.0003399400000000 ] - [ -0.0010614200000000, -0.0000532800000000, 0.0003063800000000 ] - [ 0.0000552900000000, 0.0000160600000000, 0.0002041500000000 ] - [ 0.0036772400000000, 0.0035487800000000, 0.0031308000000000 ] - [ -0.0026094200000000, 0.0011196500000000, -0.0053779500000000 ] - [ -0.0000053200000000, 0.0007822600000000, -0.0001774300000000 ] - [ -0.0004059500000000, 0.0006996400000000, 0.0001502400000000 ] - [ -0.0021901400000000, -0.0001553000000000, -0.0005278000000000 ] - [ 0.0023397900000000, 0.0041496300000000, -0.0019975700000000 ] - [ 0.0001864400000000, -0.0001541500000000, 0.0000181500000000 ] - [ -0.0016312400000000, -0.0001943600000000, 0.0006691900000000 ] - [ -0.0002459600000000, -0.0012127500000000, 0.0004533500000000 ] - [ 0.0029264400000000, -0.0033872000000000, 0.0022776800000000 ] - [ -0.0004027900000000, -0.0008261100000000, 0.0001168100000000 ] - [ -0.0001024500000000, -0.0000672900000000, 0.0002053200000000 ] - [ -0.0009370200000000, 0.0000974500000000, 0.0001754300000000 ] - [ 0.0018827700000000, -0.0033172200000000, -0.0013864600000000 ] - [ -0.0003313800000000, -0.0005448000000000, 0.0000623400000000 ] - [ -0.0008114500000000, 0.0001130500000000, 0.0000819600000000 ] - [ -0.0008297900000000, -0.0001408700000000, -0.0000335800000000 ] - [ -0.0001400000000000, 0.0009424000000000, 0.0002751500000000 ] - [ -0.0049129400000000, 0.0002877500000000, 0.0040857700000000 ] - [ 0.0000442900000000, 0.0003111900000000, 0.0000321800000000 ] - [ -0.0028817900000000, -0.0005792200000000, -0.0002276100000000 ] - [ -0.0020220800000000, -0.0003064300000000, -0.0001713800000000 ] - [ 0.0026432200000000, -0.0005284600000000, 0.0040656100000000 ] - [ -0.0039147300000000, -0.0060504000000000, 0.0029616700000000 ] - [ 0.2883419200000000, -0.0041180800000000, -0.0056097200000000 ] - [ 0.0025567300000000, -0.0038019500000000, -0.0003249200000000 ] - [ -0.0006889400000000, -0.0010513000000000, 0.0000467000000000 ] - [ 0.0007177000000000, -0.0020102600000000, 0.0004827800000000 ] - [ -0.0023966200000000, 0.0002350500000000, 0.0001103200000000 ] - [ -0.0041757700000000, 0.0067135400000000, 0.0005960200000000 ] - [ -0.0011151400000000, -0.0002819500000000, -0.0000029800000000 ] - [ -0.0003822600000000, 0.0014188600000000, -0.0000334300000000 ] - [ 0.0011971600000000, 0.0018469800000000, 0.0005974200000000 ] - [ -0.0010175700000000, -0.0009375900000000, -0.0001104900000000 ] - [ -0.0011089400000000, 0.0006930400000000, 0.0004075900000000 ] - [ -0.0032816000000000, 0.0017797800000000, -0.0012323200000000 ] - [ 0.0026172300000000, 0.0019223700000000, -0.0002153900000000 ] - [ 0.0009134800000000, 0.0003410200000000, 0.0021365900000000 ] - [ -0.0010548200000000, -0.0007321400000000, 0.0004099400000000 ] - [ -0.0040148700000000, -0.0011548200000000, -0.0013415900000000 ] - [ -0.0020390500000000, 0.0006632200000000, -0.0002607100000000 ] - [ -0.0005469300000000, 0.0017977000000000, -0.0002826200000000 ] - [ 0.0015545800000000, -0.0024834300000000, -0.0070509800000000 ] - [ 0.0003413000000000, 0.0002540900000000, -0.0001926900000000 ] - [ 0.0022174500000000, 0.0036288900000000, -0.0001760200000000 ] - [ -0.0023903700000000, -0.0010822200000000, -0.0002930900000000 ] - [ -0.0015100400000000, 0.0017281000000000, -0.0002850700000000 ] - [ 0.0018156900000000, -0.0000094900000000, 0.0000593200000000 ] - [ 0.0000916700000000, -0.0017511200000000, 0.0001652500000000 ] - [ -0.0014299400000000, -0.0022793900000000, 0.0005551900000000 ] - [ -0.0457789700000000, -0.0017574900000000, -0.0082450400000000 ] - [ 0.0002165400000000, 0.0008472800000000, -0.0005695800000000 ] - [ -0.0015470700000000, 0.0011117400000000, -0.0005693200000000 ] - [ 0.0031972900000000, -0.0002179700000000, -0.0002725700000000 ] - [ -0.0024833900000000, -0.0015592800000000, -0.0010553900000000 ] - [ -0.0033794100000000, -0.0003561300000000, 0.0003027300000000 ] - [ 0.0014943000000000, -0.0024814000000000, -0.0003709000000000 ] - [ -0.0011519500000000, -0.0011238300000000, -0.0005822700000000 ] - [ 0.0055305500000000, 0.0002169500000000, -0.0004407900000000 ] - [ -0.0037747800000000, 0.0160573600000000, 0.0007793100000000 ] - [ -0.0026534900000000, -0.0003566800000000, -0.0006322300000000 ] - [ -0.0024141700000000, -0.0288971600000000, 0.0054127300000000 ] - [ -0.0022090600000000, 0.0027523100000000, 0.0002962400000000 ] - [ 0.0000295900000000, 0.0021594700000000, 0.0003744000000000 ] - [ -0.0034409300000000, 0.0012416000000000, -0.0010984000000000 ] - [ -0.0007333300000000, -0.0028474000000000, 0.0003972300000000 ] - [ -0.0018382100000000, 0.0015625500000000, -0.0006237800000000 ] - [ 0.0001802500000000, -0.0013462000000000, 0.0001999400000000 ] - [ -0.0022861400000000, 0.0055349600000000, -0.0075024400000000 ] - [ -0.0000933300000000, 0.0035691400000000, -0.0001630200000000 ] - [ 0.0013648500000000, 0.0007876300000000, 0.0002121300000000 ] - [ -0.0004114100000000, 0.0015926300000000, 0.0000987100000000 ] - [ 0.0003313300000000, 0.0010640100000000, 0.0001125400000000 ] - [ -0.0005186400000000, -0.0011159900000000, -0.0004018600000000 ] - [ 0.0008349500000000, -0.0013352800000000, 0.0005653900000000 ] - [ 0.0012690900000000, -0.0006685400000000, -0.0001791400000000 ] - [ 0.0006333700000000, -0.0000369900000000, -0.0000166400000000 ] - [ 0.0003820200000000, 0.0007422500000000, -0.0001043500000000 ] - [ 0.0017985400000000, -0.0006735500000000, 0.0003808000000000 ] - [ -0.0009504800000000, 0.0000082800000000, -0.0004105400000000 ] - [ -0.0008265700000000, 0.0005070900000000, 0.0007631300000000 ] - [ 0.0011054800000000, 0.0006103200000000, 0.0000616600000000 ] - [ 0.0006673000000000, -0.0006176600000000, -0.0000085300000000 ] - [ -0.0176777500000000, -0.0000764100000000, 0.0052285000000000 ] - [ 0.0004532600000000, -0.0004029300000000, -0.0000773400000000 ] - [ 0.0063646400000000, -0.0004490300000000, 0.0115816700000000 ] - [ -0.0000785000000000, 0.0017726400000000, -0.0001463900000000 ] - [ -0.0009191500000000, 0.0000486500000000, 0.0001696400000000 ] - [ -0.0784416800000000, -0.0551235500000000, -0.0295592200000000 ] - [ 0.0002442900000000, 0.0006886800000000, -0.0000210400000000 ] - [ -0.0010838800000000, -0.0022029000000000, -0.0027613200000000 ] - [ 0.0009584200000000, 0.0012819600000000, 0.0004399800000000 ] - [ 0.0015194500000000, -0.0037591500000000, 0.0005549700000000 ] - [ -0.0018171800000000, -0.0011143000000000, 0.0002769100000000 ] - [ 0.0026688200000000, 0.0009795500000000, -0.0001664200000000 ] - [ -0.0001104800000000, 0.0003492200000000, -0.0000174900000000 ] - [ -0.0006272600000000, 0.0022859100000000, -0.0001591200000000 ] - [ 0.0002077700000000, -0.0013313200000000, 0.0000967900000000 ] - [ 0.0000625500000000, 0.0002739600000000, -0.0000693600000000 ] - [ -0.0001445700000000, 0.0005053900000000, 0.0001305300000000 ] - [ -0.0005811800000000, -0.0020733500000000, -0.0001876500000000 ] - [ -0.0016787900000000, 0.0001997100000000, -0.0000435900000000 ] - [ 0.0017610000000000, 0.0009736300000000, -0.0004482800000000 ] - [ 0.0012297900000000, -0.0010485200000000, -0.0001584900000000 ] - [ -0.0002523700000000, 0.0002427300000000, -0.0000632000000000 ] - [ 0.0010456400000000, 0.0001423700000000, -0.0000001300000000 ] - [ 0.0002898900000000, -0.0008864300000000, -0.0000762100000000 ] - [ 0.0002221400000000, -0.0008161500000000, 0.0000288300000000 ] - [ -0.0024883500000000, -0.0008339400000000, -0.0001078100000000 ] - [ 0.0014574600000000, 0.0011475000000000, 0.0000102200000000 ] - [ -0.0005972000000000, -0.0039662200000000, -0.0001856300000000 ] - [ -0.0031181500000000, 0.0009542100000000, 0.0014601300000000 ] - [ 0.0009387200000000, -0.0012727300000000, 0.0001020500000000 ] - [ -0.0015681600000000, 0.0014931700000000, -0.0009730800000000 ] - [ 0.0011729600000000, 0.0026467900000000, 0.0014786300000000 ] - [ 0.0010933200000000, -0.0016286300000000, -0.0002660300000000 ] - [ 0.0004301000000000, 0.0006925100000000, -0.0000316600000000 ] - [ 0.0095294400000000, 0.0099028700000000, 0.0001239600000000 ] - [ -0.0061894800000000, 0.0098551000000000, 0.0020615600000000 ] - [ 0.0006367900000000, -0.0002685200000000, -0.0006019000000000 ] - [ 0.0004595700000000, -0.0005668400000000, 0.0007079600000000 ] - [ -0.0023423900000000, -0.0015368700000000, -0.0000407700000000 ] - [ -0.0007150100000000, -0.0042486700000000, 0.0009509900000000 ] - [ -0.0289095600000000, 0.0264065200000000, -0.0101241400000000 ] - [ -0.0062049400000000, 0.0004627500000000, -0.0014797600000000 ] - [ 0.0033862100000000, -0.0002572600000000, 0.0005285800000000 ] - [ 0.0011887100000000, 0.0004219900000000, 0.0000250000000000 ] - [ 0.0002671200000000, -0.0005629000000000, -0.0002197200000000 ] - [ 0.0012815800000000, 0.0000939900000000, 0.0007724700000000 ] - [ 0.0045051300000000, 0.0050480400000000, 0.0000163300000000 ] - [ -0.0013025100000000, -0.0004856400000000, -0.0005836700000000 ] - [ -0.0004487600000000, 0.0008470300000000, -0.0002374100000000 ] - [ 0.0010518100000000, -0.0003054500000000, -0.0000241900000000 ] - [ 0.0010483800000000, -0.0012328500000000, 0.0003864700000000 ] - [ 0.0006605400000000, 0.0019071000000000, -0.0011800800000000 ] - [ -0.1279738200000000, 0.0313381200000000, 0.0399382900000000 ] - [ 0.0008454400000000, -0.0009558300000000, 0.0008077700000000 ] - [ 0.0027310400000000, -0.0011532600000000, 0.0004970500000000 ] - [ 0.0011619600000000, -0.0001875200000000, 0.0004106200000000 ] - [ 0.0001982300000000, 0.0007750200000000, -0.0009894000000000 ] - [ -0.0006984300000000, -0.0005566300000000, 0.0000803200000000 ] - [ 0.0005771100000000, -0.0004864100000000, 0.0001033600000000 ] - [ 0.0015853400000000, 0.0012041400000000, 0.0015267100000000 ] - [ -0.0004063600000000, 0.0005072800000000, -0.0000747100000000 ] - [ 0.0008175400000000, -0.0006077300000000, -0.0002585700000000 ] - [ 0.0005792400000000, 0.0002938700000000, -0.0000643700000000 ] - [ -0.0000898600000000, 0.0011578000000000, 0.0000235600000000 ] - [ -0.0002379900000000, -0.0009152100000000, -0.0002522200000000 ] - [ 0.0005452600000000, -0.0002988700000000, 0.0001049300000000 ] - [ 0.0001373900000000, 0.0006841800000000, -0.0003100200000000 ] - [ 0.0016272400000000, -0.0002193300000000, -0.0000495000000000 ] - [ 0.0013762900000000, 0.0002079800000000, 0.0001846300000000 ] - [ 0.0000252500000000, -0.0005454000000000, -0.0000423400000000 ] - [ 0.0017416900000000, 0.0008010300000000, -0.0005816400000000 ] - [ 0.0008619400000000, 0.0005452400000000, -0.0000328300000000 ] - [ 0.0024745900000000, -0.0001780900000000, -0.0000961900000000 ] - [ 0.0016203200000000, 0.0013475600000000, -0.0003689500000000 ] - [ 0.0026912000000000, -0.0005034500000000, 0.0000549800000000 ] - [ 0.0010423800000000, -0.0011805000000000, -0.0002156900000000 ] - [ 0.0000743200000000, -0.0003962400000000, 0.0007453900000000 ] - [ -0.0000024300000000, -0.0017488900000000, -0.0005643000000000 ] - [ 0.0104109600000000, -0.0046323900000000, -0.0020159800000000 ] - [ 0.0006729500000000, 0.0002922600000000, 0.0001501400000000 ] - [ 0.0012473600000000, -0.0003759100000000, 0.0002590500000000 ]- atom: 29 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0007259000000000, 0.0009534700000000, 0.0000151700000000 ] - [ 0.0007751500000000, 0.0004397700000000, 0.0003274200000000 ] - [ -0.0001630800000000, -0.0001314300000000, 0.0002275000000000 ] - [ -0.0004106300000000, 0.0007166400000000, 0.0002680700000000 ] - [ -0.0007694200000000, 0.0026888600000000, 0.0053521100000000 ] - [ -0.0016181000000000, -0.0044642800000000, -0.0020843300000000 ] - [ -0.0009844200000000, 0.0013567400000000, -0.0005728400000000 ] - [ -0.0005447800000000, 0.0008429500000000, 0.0001268800000000 ] - [ -0.0012959200000000, -0.0005089900000000, -0.0002852900000000 ] - [ -0.0016881300000000, 0.0041811000000000, -0.0030277100000000 ] - [ 0.0006613300000000, 0.0008439800000000, 0.0001262200000000 ] - [ -0.0009553000000000, -0.0005926600000000, 0.0004366000000000 ] - [ 0.0008262200000000, 0.0006546500000000, -0.0001886100000000 ] - [ 0.0052496900000000, -0.0013097600000000, -0.0031811800000000 ] - [ 0.0002473300000000, -0.0000383100000000, 0.0002111800000000 ] - [ 0.0003467400000000, 0.0008228500000000, 0.0002082100000000 ] - [ -0.0008519000000000, -0.0001991900000000, 0.0001992800000000 ] - [ 0.0048185700000000, 0.0001591600000000, 0.0020854200000000 ] - [ 0.0001786100000000, 0.0001612200000000, 0.0000517000000000 ] - [ -0.0007920100000000, -0.0000389600000000, 0.0000464600000000 ] - [ -0.0000113600000000, -0.0001486500000000, 0.0000446000000000 ] - [ -0.0012060600000000, 0.0018456000000000, 0.0006129300000000 ] - [ -0.0023766700000000, -0.0036823000000000, 0.0017293800000000 ] - [ -0.0005164700000000, 0.0009996700000000, -0.0000271200000000 ] - [ -0.0015753000000000, -0.0011318700000000, -0.0002361700000000 ] - [ -0.0006980800000000, -0.0003379400000000, -0.0002098400000000 ] - [ 0.0027922500000000, -0.0026530100000000, -0.0042095800000000 ] - [ -0.0004127800000000, -0.0039529500000000, 0.0017157000000000 ] - [ 0.1449102300000000, -0.2426140600000000, -0.0083087600000000 ] - [ -0.0002593900000000, 0.0031007600000000, 0.0002168300000000 ] - [ -0.0001424300000000, 0.0008637200000000, -0.0002212800000000 ] - [ 0.0020874400000000, -0.0000364900000000, 0.0001865200000000 ] - [ -0.0014200000000000, -0.0017037300000000, 0.0003223500000000 ] - [ -0.0039462600000000, 0.0037166400000000, 0.0004012500000000 ] - [ 0.0006303300000000, 0.0012576400000000, -0.0001316700000000 ] - [ -0.0015516500000000, 0.0024959500000000, -0.0000657900000000 ] - [ -0.0009746400000000, 0.0021994900000000, 0.0007169600000000 ] - [ 0.0004876000000000, 0.0015391200000000, -0.0000962200000000 ] - [ 0.0001008100000000, 0.0012821900000000, 0.0004049100000000 ] - [ -0.0074999200000000, 0.0007026300000000, -0.0032166900000000 ] - [ 0.0038047700000000, 0.0064979100000000, -0.0008185700000000 ] - [ -0.0016083100000000, -0.0022516200000000, 0.0066004600000000 ] - [ -0.0011588400000000, 0.0006077200000000, 0.0004078700000000 ] - [ 0.0039421500000000, -0.0013026300000000, 0.0007622300000000 ] - [ -0.0014189700000000, 0.0005002200000000, -0.0002074500000000 ] - [ -0.0012981400000000, 0.0020864300000000, -0.0000956200000000 ] - [ 0.0014359600000000, -0.0040981000000000, -0.0046128600000000 ] - [ -0.0000923600000000, 0.0018914600000000, -0.0000010800000000 ] - [ -0.0010942300000000, 0.0032136400000000, -0.0000676700000000 ] - [ -0.0004252400000000, -0.0004849700000000, 0.0000643700000000 ] - [ -0.0027733700000000, 0.0025517400000000, -0.0000068600000000 ] - [ 0.0019535800000000, 0.0024729300000000, -0.0006115000000000 ] - [ 0.0014480900000000, 0.0006288200000000, 0.0001408300000000 ] - [ 0.0007506300000000, 0.0001192100000000, 0.0001737700000000 ] - [ -0.0298654900000000, -0.0072933900000000, -0.0071868500000000 ] - [ -0.0008125200000000, 0.0029058000000000, -0.0006160500000000 ] - [ -0.0003395300000000, 0.0020515200000000, -0.0005737400000000 ] - [ 0.0008955500000000, 0.0021493800000000, 0.0006814000000000 ] - [ 0.0009354400000000, -0.0009253600000000, 0.0002464900000000 ] - [ -0.0025378300000000, -0.0007196300000000, 0.0003581500000000 ] - [ 0.0041261900000000, 0.0004471300000000, -0.0008854200000000 ] - [ -0.0014256200000000, -0.0000701400000000, -0.0005719400000000 ] - [ 0.0036215300000000, -0.0048701200000000, 0.0005506900000000 ] - [ -0.0242714900000000, 0.0375916800000000, 0.0084280800000000 ] - [ -0.0013617600000000, -0.0008284500000000, -0.0005997200000000 ] - [ 0.0122793800000000, 0.0145532600000000, 0.0014061500000000 ] - [ -0.0023562300000000, 0.0012544200000000, 0.0000270300000000 ] - [ -0.0011908400000000, 0.0032199100000000, 0.0003364900000000 ] - [ -0.0009529100000000, -0.0026320900000000, -0.0007047900000000 ] - [ 0.0012837400000000, -0.0028005900000000, -0.0005768800000000 ] - [ -0.0041034200000000, -0.0009409900000000, -0.0007516800000000 ] - [ 0.0010232700000000, 0.0021160500000000, 0.0002258300000000 ] - [ -0.0028739000000000, -0.0018581100000000, 0.0038550100000000 ] - [ -0.0011839100000000, 0.0021971600000000, -0.0000230300000000 ] - [ 0.0009416600000000, 0.0002530300000000, 0.0002303500000000 ] - [ -0.0018059800000000, -0.0007757800000000, 0.0000441900000000 ] - [ -0.0004455700000000, -0.0005421800000000, -0.0001043000000000 ] - [ 0.0006318700000000, -0.0011536100000000, -0.0005217300000000 ] - [ 0.0010169100000000, 0.0001628200000000, -0.0000287300000000 ] - [ 0.0010372400000000, -0.0002042900000000, -0.0002531800000000 ] - [ 0.0012374900000000, -0.0003501800000000, 0.0000385000000000 ] - [ -0.0006228200000000, 0.0000293900000000, 0.0001334300000000 ] - [ 0.0009802700000000, -0.0002504700000000, 0.0001683400000000 ] - [ -0.0003192400000000, -0.0014727600000000, -0.0001424300000000 ] - [ 0.0001565000000000, -0.0013674200000000, -0.0004231900000000 ] - [ -0.0001213700000000, 0.0001028400000000, 0.0000657900000000 ] - [ 0.0015445900000000, -0.0014147100000000, 0.0001086700000000 ] - [ -0.0089969400000000, 0.0142602600000000, 0.0059999200000000 ] - [ -0.0000657900000000, -0.0007596200000000, -0.0000668700000000 ] - [ 0.0049545900000000, 0.0017042300000000, 0.0082005600000000 ] - [ -0.0007806400000000, -0.0019266000000000, 0.0003077700000000 ] - [ -0.0016278700000000, -0.0009568000000000, 0.0002576800000000 ] - [ 0.0092235900000000, 0.0381618100000000, 0.0090154200000000 ] - [ -0.0007454100000000, -0.0004862000000000, 0.0001098600000000 ] - [ 0.0022961100000000, -0.0056550600000000, -0.0108045700000000 ] - [ -0.0005381800000000, -0.0000591300000000, -0.0000597100000000 ] - [ 0.0129289700000000, -0.0032964700000000, -0.0004840800000000 ] - [ 0.0001155500000000, -0.0015052300000000, 0.0003001800000000 ] - [ 0.0004816800000000, 0.0006024900000000, -0.0004100600000000 ] - [ 0.0002958400000000, -0.0012334100000000, -0.0000775200000000 ] - [ -0.0017129500000000, 0.0016483700000000, -0.0004623000000000 ] - [ 0.0014082700000000, -0.0020266000000000, 0.0001814700000000 ] - [ -0.0002901100000000, -0.0009712700000000, 0.0002159500000000 ] - [ -0.0008293800000000, -0.0005726200000000, 0.0001383600000000 ] - [ 0.0002700300000000, -0.0012705600000000, -0.0000597900000000 ] - [ -0.0035305900000000, -0.0021602800000000, 0.0004335100000000 ] - [ 0.0011638300000000, 0.0012041900000000, -0.0004653400000000 ] - [ 0.0006151500000000, -0.0009855200000000, -0.0000410100000000 ] - [ -0.0001200900000000, -0.0008496300000000, 0.0000220500000000 ] - [ 0.0005329500000000, 0.0003197800000000, -0.0000529800000000 ] - [ 0.0008006700000000, -0.0015249500000000, -0.0001072900000000 ] - [ 0.0012074100000000, -0.0016710800000000, 0.0001235600000000 ] - [ 0.0005715100000000, -0.0020349900000000, -0.0000736200000000 ] - [ 0.0007961000000000, 0.0003048000000000, 0.0000118900000000 ] - [ 0.0008133600000000, -0.0025045400000000, -0.0003632600000000 ] - [ -0.0027669500000000, 0.0044478800000000, 0.0015243600000000 ] - [ 0.0006058600000000, -0.0013585700000000, 0.0000904400000000 ] - [ -0.0006107600000000, -0.0003438100000000, 0.0004802000000000 ] - [ 0.0006375000000000, 0.0030275400000000, 0.0012145400000000 ] - [ 0.0011274700000000, -0.0008638000000000, 0.0000359100000000 ] - [ -0.0006541100000000, -0.0005641000000000, -0.0003073600000000 ] - [ 0.0050967900000000, 0.0105261800000000, 0.0008834700000000 ] - [ -0.0019488300000000, -0.0030451800000000, -0.0009364500000000 ] - [ 0.0030775500000000, 0.0005790400000000, -0.0018019100000000 ] - [ 0.0009748100000000, -0.0007225500000000, 0.0005661600000000 ] - [ 0.0000326900000000, 0.0038458200000000, -0.0017297300000000 ] - [ 0.0008980700000000, -0.0111524600000000, 0.0016515900000000 ] - [ -0.0368874400000000, 0.1159444100000000, -0.0387380000000000 ] - [ -0.0037831400000000, 0.0024548100000000, -0.0002671900000000 ] - [ -0.0001694700000000, 0.0022206900000000, 0.0002264600000000 ] - [ 0.0005035400000000, 0.0002339100000000, -0.0000738300000000 ] - [ 0.0008433000000000, -0.0010365700000000, -0.0001806400000000 ] - [ 0.0007058000000000, 0.0003240000000000, 0.0007827800000000 ] - [ -0.0040988900000000, -0.0014622700000000, -0.0007419100000000 ] - [ -0.0009663200000000, -0.0016158100000000, -0.0007785100000000 ] - [ -0.0012966900000000, -0.0002330600000000, 0.0002539400000000 ] - [ 0.0006081900000000, -0.0001737100000000, -0.0000686500000000 ] - [ 0.0017055700000000, -0.0009680300000000, 0.0004517100000000 ] - [ -0.0008026500000000, 0.0015753100000000, -0.0000875400000000 ] - [ -0.0903166200000000, 0.0419876900000000, 0.0304719700000000 ] - [ 0.0019417500000000, 0.0003939100000000, 0.0017530000000000 ] - [ 0.0022794300000000, -0.0006578400000000, 0.0004209300000000 ] - [ 0.0004116000000000, 0.0009835000000000, 0.0001040200000000 ] - [ -0.0018403500000000, 0.0012503600000000, 0.0005690000000000 ] - [ -0.0008670600000000, -0.0019307300000000, 0.0008424200000000 ] - [ 0.0001569000000000, -0.0015163200000000, 0.0001388800000000 ] - [ -0.0006873400000000, 0.0011738200000000, -0.0004390800000000 ] - [ -0.0004055000000000, -0.0011414400000000, -0.0004769600000000 ] - [ 0.0011611200000000, 0.0015574800000000, 0.0001987500000000 ] - [ 0.0006641500000000, -0.0002348300000000, -0.0000646800000000 ] - [ -0.0011009500000000, -0.0007221400000000, -0.0000066300000000 ] - [ 0.0002771100000000, -0.0031680300000000, -0.0006676800000000 ] - [ 0.0002543200000000, -0.0013715900000000, 0.0002085600000000 ] - [ -0.0003530000000000, -0.0005838900000000, -0.0001358100000000 ] - [ 0.0007395300000000, 0.0001926000000000, 0.0000401900000000 ] - [ -0.0003482900000000, 0.0013536400000000, -0.0001719200000000 ] - [ 0.0007715900000000, -0.0009960800000000, -0.0001638500000000 ] - [ 0.0002143800000000, 0.0005133600000000, -0.0002096600000000 ] - [ -0.0006179700000000, -0.0003388500000000, -0.0001741000000000 ] - [ 0.0015280400000000, 0.0002777800000000, -0.0001186900000000 ] - [ -0.0008204100000000, -0.0001643900000000, -0.0001359400000000 ] - [ 0.0011930000000000, 0.0002755800000000, 0.0000298500000000 ] - [ 0.0025203600000000, -0.0018336800000000, -0.0001650900000000 ] - [ 0.0003683700000000, -0.0011510000000000, 0.0005928900000000 ] - [ 0.0005395700000000, -0.0022490100000000, -0.0007224100000000 ] - [ 0.0076551900000000, -0.0023829900000000, -0.0010557400000000 ] - [ 0.0010447800000000, -0.0001036800000000, 0.0000298200000000 ] - [ 0.0022581500000000, 0.0019146700000000, 0.0004289700000000 ]- atom: 29 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0006636600000000, -0.0009229700000000, 0.0002086600000000 ] - [ -0.0007733900000000, -0.0004416900000000, -0.0002114800000000 ] - [ 0.0002821100000000, 0.0002861400000000, 0.0002317100000000 ] - [ 0.0002908500000000, -0.0008734500000000, 0.0001904100000000 ] - [ 0.0004618800000000, -0.0028829600000000, -0.0052817000000000 ] - [ 0.0017987300000000, 0.0044575000000000, 0.0025449300000000 ] - [ 0.0009827800000000, -0.0013564300000000, 0.0006883500000000 ] - [ 0.0006058300000000, -0.0008752300000000, 0.0000973600000000 ] - [ 0.0012963400000000, 0.0005078000000000, 0.0004013900000000 ] - [ 0.0017383000000000, -0.0043207200000000, 0.0034507500000000 ] - [ -0.0003591600000000, -0.0006528100000000, -0.0000918400000000 ] - [ 0.0009596900000000, 0.0005935600000000, -0.0003737700000000 ] - [ -0.0008224600000000, -0.0006550200000000, 0.0003069800000000 ] - [ -0.0053053000000000, 0.0012967700000000, 0.0033978200000000 ] - [ -0.0004395600000000, 0.0000637600000000, 0.0002480200000000 ] - [ -0.0004225700000000, -0.0006434600000000, 0.0002506700000000 ] - [ 0.0008565700000000, 0.0001334900000000, 0.0000239600000000 ] - [ -0.0047748100000000, -0.0001130300000000, -0.0018634000000000 ] - [ -0.0001938400000000, 0.0001990800000000, -0.0000175000000000 ] - [ 0.0007901400000000, 0.0001078600000000, 0.0001781600000000 ] - [ 0.0003304000000000, -0.0000184500000000, -0.0000088700000000 ] - [ 0.0012065200000000, -0.0018531400000000, -0.0005486800000000 ] - [ 0.0023944200000000, 0.0033438400000000, -0.0017047100000000 ] - [ 0.0001984500000000, -0.0008300300000000, 0.0000624900000000 ] - [ 0.0014162600000000, -0.0001517900000000, -0.0002647700000000 ] - [ 0.0004250800000000, 0.0006759200000000, 0.0001594400000000 ] - [ -0.0015100000000000, 0.0014921400000000, 0.0040772700000000 ] - [ 0.0016058000000000, 0.0044742400000000, -0.0022138100000000 ] - [ -0.1425054900000000, 0.2502303200000000, 0.0030937200000000 ] - [ -0.0000852900000000, -0.0047490600000000, -0.0003243100000000 ] - [ -0.0014745800000000, -0.0014022300000000, 0.0001162100000000 ] - [ -0.0020652300000000, 0.0000046000000000, 0.0006165600000000 ] - [ 0.0013755100000000, 0.0017089000000000, 0.0004818600000000 ] - [ 0.0028980000000000, -0.0029563900000000, -0.0008985200000000 ] - [ -0.0002875400000000, 0.0004048200000000, 0.0000228600000000 ] - [ 0.0011289200000000, -0.0025777600000000, 0.0000217000000000 ] - [ 0.0009801500000000, -0.0021574300000000, 0.0000822100000000 ] - [ -0.0017704100000000, -0.0004109700000000, -0.0000147200000000 ] - [ -0.0001111300000000, -0.0013275800000000, 0.0003946600000000 ] - [ 0.0078112100000000, -0.0010411500000000, 0.0031912600000000 ] - [ -0.0036479800000000, -0.0060806200000000, 0.0007797600000000 ] - [ 0.0004197800000000, 0.0017648800000000, -0.0071556800000000 ] - [ 0.0012074900000000, -0.0006066200000000, 0.0003960400000000 ] - [ -0.0023394900000000, 0.0018408400000000, -0.0008694200000000 ] - [ 0.0018393500000000, -0.0004190800000000, 0.0001627800000000 ] - [ 0.0014596400000000, -0.0008026400000000, -0.0004070700000000 ] - [ -0.0015661800000000, 0.0036665000000000, 0.0045549600000000 ] - [ 0.0011322000000000, -0.0026742900000000, -0.0004971100000000 ] - [ 0.0013495700000000, -0.0042443100000000, -0.0010638000000000 ] - [ 0.0020796800000000, 0.0008449200000000, 0.0006117000000000 ] - [ 0.0025879800000000, -0.0019238300000000, -0.0012711700000000 ] - [ -0.0008139500000000, -0.0037156500000000, 0.0012788400000000 ] - [ -0.0007637700000000, -0.0011535300000000, 0.0002235600000000 ] - [ -0.0008748300000000, -0.0009537000000000, 0.0001811400000000 ] - [ 0.0286454500000000, 0.0084783600000000, 0.0079369700000000 ] - [ 0.0015137100000000, -0.0030478200000000, -0.0006502100000000 ] - [ 0.0000792900000000, -0.0010191200000000, -0.0005622000000000 ] - [ -0.0007662700000000, -0.0013206100000000, -0.0003247400000000 ] - [ -0.0017007500000000, 0.0005997400000000, 0.0001019600000000 ] - [ 0.0020276400000000, -0.0008859900000000, 0.0003145900000000 ] - [ -0.0051806600000000, -0.0001529900000000, -0.0002523900000000 ] - [ 0.0006785500000000, -0.0006881000000000, -0.0005645900000000 ] - [ -0.0025818100000000, 0.0045800900000000, -0.0016601000000000 ] - [ 0.0239034100000000, -0.0385179800000000, -0.0095434200000000 ] - [ 0.0015556200000000, 0.0001979100000000, -0.0006758800000000 ] - [ -0.0128180700000000, -0.0140902900000000, -0.0010109200000000 ] - [ 0.0016510700000000, -0.0011217100000000, -0.0012962600000000 ] - [ 0.0016998500000000, -0.0016154600000000, 0.0003360500000000 ] - [ 0.0017027000000000, 0.0034056800000000, -0.0004302100000000 ] - [ -0.0008481900000000, 0.0033542800000000, -0.0006976300000000 ] - [ 0.0024579200000000, 0.0005912100000000, 0.0014300200000000 ] - [ -0.0002592900000000, -0.0017894700000000, 0.0001264700000000 ] - [ 0.0034395800000000, 0.0021870100000000, -0.0036828100000000 ] - [ 0.0018974300000000, -0.0018447100000000, 0.0002730300000000 ] - [ -0.0000815200000000, 0.0000169900000000, 0.0000196500000000 ] - [ 0.0010168300000000, 0.0012094600000000, 0.0000163600000000 ] - [ 0.0005908200000000, 0.0003909100000000, 0.0000595100000000 ] - [ -0.0004403600000000, 0.0014340700000000, 0.0003960300000000 ] - [ -0.0009543300000000, 0.0003286600000000, -0.0003079500000000 ] - [ -0.0021341700000000, 0.0001505200000000, 0.0002641300000000 ] - [ -0.0019614000000000, 0.0006054000000000, -0.0000739300000000 ] - [ 0.0000448800000000, 0.0003444900000000, 0.0000316300000000 ] - [ -0.0003491000000000, -0.0007222500000000, -0.0001363700000000 ] - [ -0.0010642400000000, 0.0023736600000000, -0.0005581200000000 ] - [ 0.0004213300000000, 0.0009936700000000, 0.0005872400000000 ] - [ 0.0000883200000000, 0.0008014000000000, -0.0000055200000000 ] - [ -0.0004448700000000, 0.0014736100000000, -0.0000957600000000 ] - [ 0.0087911700000000, -0.0139058100000000, -0.0049525200000000 ] - [ -0.0001232900000000, 0.0004801900000000, -0.0000592100000000 ] - [ -0.0048619400000000, -0.0013001200000000, -0.0086236400000000 ] - [ 0.0008389700000000, 0.0021202000000000, -0.0003503000000000 ] - [ 0.0018567900000000, 0.0004487800000000, -0.0001482600000000 ] - [ -0.0086468500000000, -0.0384006800000000, -0.0091449500000000 ] - [ 0.0009515000000000, 0.0005280300000000, -0.0001554900000000 ] - [ -0.0021562800000000, 0.0057089100000000, 0.0124660800000000 ] - [ 0.0004783100000000, -0.0001396500000000, 0.0000177000000000 ] - [ -0.0133597000000000, 0.0036309500000000, 0.0001329300000000 ] - [ 0.0003275300000000, 0.0011153300000000, -0.0004162300000000 ] - [ -0.0019546800000000, -0.0013472300000000, -0.0002912200000000 ] - [ -0.0004085800000000, 0.0006568100000000, -0.0000485700000000 ] - [ 0.0015968600000000, -0.0009259500000000, 0.0004390000000000 ] - [ -0.0012066200000000, 0.0029048800000000, 0.0000695800000000 ] - [ 0.0002565500000000, 0.0002835600000000, -0.0000492900000000 ] - [ 0.0002183400000000, 0.0002583000000000, 0.0000323700000000 ] - [ -0.0008400300000000, 0.0007839900000000, 0.0000304100000000 ] - [ 0.0042001100000000, 0.0015513100000000, -0.0001880800000000 ] - [ -0.0010721300000000, 0.0004398200000000, -0.0002342200000000 ] - [ -0.0009333000000000, 0.0005259500000000, 0.0001476800000000 ] - [ -0.0006600500000000, 0.0003851900000000, 0.0000422700000000 ] - [ -0.0009833900000000, -0.0005079800000000, -0.0002845200000000 ] - [ -0.0003516700000000, 0.0017135400000000, -0.0002304900000000 ] - [ -0.0008889500000000, 0.0021311100000000, -0.0000183900000000 ] - [ -0.0005358700000000, 0.0011280000000000, 0.0001319400000000 ] - [ -0.0002409600000000, -0.0003576600000000, 0.0000947400000000 ] - [ -0.0014654300000000, 0.0029276300000000, 0.0006012500000000 ] - [ 0.0020780400000000, -0.0048394900000000, -0.0012928600000000 ] - [ -0.0008043500000000, 0.0004817400000000, 0.0001592400000000 ] - [ 0.0004638000000000, 0.0005030100000000, -0.0005219300000000 ] - [ -0.0001209200000000, -0.0020347900000000, -0.0011955900000000 ] - [ -0.0010343000000000, 0.0007384800000000, 0.0015817100000000 ] - [ 0.0009979900000000, 0.0004910400000000, 0.0000462300000000 ] - [ -0.0051731800000000, -0.0106432900000000, -0.0008746600000000 ] - [ 0.0018258500000000, 0.0033487200000000, 0.0006544900000000 ] - [ -0.0016149200000000, 0.0001599500000000, 0.0011105100000000 ] - [ -0.0010432600000000, 0.0005841800000000, 0.0010441000000000 ] - [ 0.0007612500000000, -0.0042449700000000, 0.0017675400000000 ] - [ -0.0013873300000000, 0.0101092700000000, -0.0016566900000000 ] - [ 0.0386981800000000, -0.1240948600000000, 0.0418111300000000 ] - [ 0.0030853100000000, -0.0018487800000000, 0.0004860800000000 ] - [ 0.0009535600000000, -0.0017625700000000, -0.0001629700000000 ] - [ -0.0002090400000000, -0.0004960800000000, -0.0003645200000000 ] - [ -0.0004715400000000, 0.0011616800000000, -0.0002553100000000 ] - [ -0.0006407000000000, -0.0001869700000000, 0.0008245300000000 ] - [ 0.0039059900000000, 0.0014581100000000, 0.0006869200000000 ] - [ 0.0010462400000000, 0.0017289500000000, 0.0008042900000000 ] - [ 0.0014498700000000, -0.0000746800000000, -0.0003837800000000 ] - [ -0.0009797700000000, 0.0000495100000000, -0.0003672500000000 ] - [ -0.0016348100000000, 0.0008340300000000, -0.0004358400000000 ] - [ 0.0006502800000000, -0.0015913800000000, 0.0016996200000000 ] - [ 0.0860245000000000, -0.0409700800000000, -0.0287672400000000 ] - [ -0.0022412600000000, -0.0001363200000000, -0.0022028700000000 ] - [ -0.0021415400000000, 0.0006529100000000, -0.0004052000000000 ] - [ -0.0007513700000000, -0.0009665800000000, -0.0002360800000000 ] - [ 0.0014961600000000, -0.0011729800000000, -0.0008263600000000 ] - [ 0.0007880200000000, 0.0015476600000000, -0.0012792500000000 ] - [ 0.0005093800000000, 0.0010945000000000, 0.0001055300000000 ] - [ 0.0007250400000000, -0.0004851000000000, 0.0006102100000000 ] - [ 0.0006233800000000, 0.0013920100000000, 0.0002127200000000 ] - [ -0.0017190400000000, -0.0015138300000000, -0.0000938700000000 ] - [ -0.0003257200000000, 0.0002136900000000, -0.0000654900000000 ] - [ 0.0005490100000000, 0.0005301200000000, -0.0001148100000000 ] - [ -0.0003432900000000, 0.0026841700000000, 0.0003285700000000 ] - [ 0.0003210400000000, 0.0018651100000000, -0.0002409500000000 ] - [ 0.0004430800000000, 0.0002852000000000, -0.0001414100000000 ] - [ -0.0008136900000000, -0.0000600200000000, -0.0000234000000000 ] - [ 0.0004619800000000, -0.0007800100000000, 0.0000465000000000 ] - [ -0.0009088900000000, 0.0010044900000000, 0.0001795400000000 ] - [ 0.0001575700000000, -0.0008113600000000, -0.0001223600000000 ] - [ 0.0001742600000000, 0.0007284300000000, 0.0000547400000000 ] - [ -0.0008091500000000, -0.0005327200000000, 0.0000832400000000 ] - [ 0.0006037200000000, -0.0000837800000000, -0.0001291700000000 ] - [ -0.0012129000000000, -0.0010717200000000, 0.0002160000000000 ] - [ -0.0031646700000000, 0.0028125500000000, 0.0001977000000000 ] - [ -0.0004598800000000, 0.0012822800000000, 0.0010225000000000 ] - [ -0.0006345000000000, 0.0006065000000000, 0.0000234000000000 ] - [ -0.0063210000000000, 0.0015047100000000, 0.0003472100000000 ] - [ -0.0010275700000000, 0.0008959200000000, 0.0002162600000000 ] - [ -0.0031269700000000, -0.0021943800000000, -0.0001817100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000076700000000, -0.0000047700000000, 0.0000113600000000 ] - [ 0.0000334900000000, 0.0001183600000000, 0.0004393500000000 ] - [ 0.0000093900000000, 0.0000477800000000, 0.0001190800000000 ] - [ -0.0000515700000000, -0.0000664400000000, 0.0002882800000000 ] - [ -0.0018908500000000, 0.0030088700000000, 0.0048830400000000 ] - [ 0.0042888800000000, -0.0002729000000000, 0.0057222800000000 ] - [ 0.0000754400000000, -0.0000380200000000, 0.0003932600000000 ] - [ 0.0000199600000000, -0.0000165500000000, 0.0001767400000000 ] - [ 0.0001161300000000, 0.0000078700000000, -0.0002556600000000 ] - [ 0.0019842600000000, -0.0026899100000000, -0.0010198200000000 ] - [ 0.0001404400000000, 0.0001367500000000, -0.0000865800000000 ] - [ -0.0000610200000000, -0.0000460400000000, 0.0003532600000000 ] - [ -0.0001860900000000, -0.0001443300000000, -0.0002829400000000 ] - [ -0.0021092200000000, -0.0033092500000000, 0.0052309200000000 ] - [ -0.0000594100000000, 0.0000321600000000, 0.0001421700000000 ] - [ -0.0000405700000000, 0.0000844900000000, 0.0002936300000000 ] - [ -0.0000344700000000, -0.0000049200000000, 0.0000242200000000 ] - [ 0.0016913800000000, 0.0030112600000000, -0.0011263300000000 ] - [ -0.0000208500000000, 0.0001852900000000, 0.0000854100000000 ] - [ 0.0000068000000000, 0.0000282200000000, 0.0001785800000000 ] - [ 0.0001709700000000, -0.0000865700000000, 0.0001016400000000 ] - [ -0.0000769700000000, 0.0000992300000000, -0.0002928400000000 ] - [ -0.0039863200000000, -0.0003578200000000, -0.0013701900000000 ] - [ -0.0001411500000000, 0.0000325500000000, -0.0000783400000000 ] - [ -0.0000748000000000, -0.0006895100000000, -0.0001868500000000 ] - [ 0.0000406500000000, 0.0002267900000000, -0.0001383400000000 ] - [ -0.0033794400000000, -0.0079438200000000, 0.0008495900000000 ] - [ -0.0002363600000000, -0.0005244100000000, 0.0003631500000000 ] - [ 0.0028838800000000, -0.0045301200000000, -0.3008681600000000 ] - [ -0.0005323400000000, 0.0007075500000000, 0.0000695900000000 ] - [ -0.0009137500000000, -0.0004581900000000, -0.0001278700000000 ] - [ 0.0000885700000000, 0.0002704000000000, 0.0008806700000000 ] - [ -0.0003408900000000, -0.0000391700000000, 0.0009087300000000 ] - [ -0.0013282800000000, 0.0016578500000000, 0.0000203000000000 ] - [ -0.0000263100000000, 0.0007078000000000, -0.0002444300000000 ] - [ -0.0001707600000000, 0.0000015500000000, 0.0000371500000000 ] - [ 0.0002222700000000, -0.0001923200000000, 0.0009065500000000 ] - [ -0.0006667500000000, 0.0005609500000000, 0.0000418100000000 ] - [ -0.0000091300000000, -0.0000290100000000, 0.0003339100000000 ] - [ 0.0012619100000000, -0.0004790200000000, 0.0006023700000000 ] - [ -0.0007032200000000, -0.0011815100000000, 0.0002211600000000 ] - [ -0.0030947600000000, 0.0072397800000000, 0.0005936700000000 ] - [ 0.0000302600000000, -0.0000002300000000, 0.0003360100000000 ] - [ 0.0026282600000000, 0.0002787100000000, 0.0006987900000000 ] - [ 0.0003869500000000, -0.0000189600000000, -0.0000936000000000 ] - [ -0.0000528200000000, 0.0007718900000000, -0.0003698200000000 ] - [ 0.0074549400000000, -0.0018550300000000, 0.0005402900000000 ] - [ 0.0004682900000000, -0.0002046900000000, -0.0003258900000000 ] - [ 0.0000369700000000, -0.0001470900000000, -0.0004472500000000 ] - [ 0.0006433900000000, 0.0000907800000000, 0.0000981200000000 ] - [ 0.0000894700000000, 0.0001989100000000, -0.0008797900000000 ] - [ 0.0007193300000000, 0.0004014200000000, 0.0010327100000000 ] - [ 0.0002958400000000, -0.0002325300000000, 0.0003094100000000 ] - [ 0.0001023000000000, -0.0001937900000000, -0.0000763400000000 ] - [ -0.0076013800000000, -0.0018814000000000, -0.0107958500000000 ] - [ 0.0004775500000000, -0.0002471400000000, -0.0007777400000000 ] - [ -0.0001459900000000, 0.0005090400000000, -0.0006489600000000 ] - [ 0.0006186800000000, -0.0007166400000000, 0.0010583900000000 ] - [ -0.0018645500000000, -0.0004950500000000, 0.0021928900000000 ] - [ -0.0004655600000000, -0.0008442100000000, 0.0001886100000000 ] - [ -0.0008481500000000, -0.0000932000000000, -0.0004353600000000 ] - [ -0.0003602300000000, -0.0003882600000000, -0.0006304900000000 ] - [ 0.0016397600000000, 0.0004724600000000, 0.0486763600000000 ] - [ 0.0054686500000000, -0.0055703600000000, -0.0127540700000000 ] - [ 0.0000549000000000, -0.0003340900000000, -0.0004836800000000 ] - [ -0.0009657300000000, 0.0105082400000000, -0.0102525800000000 ] - [ 0.0004353100000000, -0.0006036700000000, 0.0000217000000000 ] - [ 0.0002824700000000, 0.0007923400000000, 0.0004920300000000 ] - [ 0.0006921500000000, 0.0002988200000000, -0.0004319900000000 ] - [ 0.0007369600000000, 0.0011566300000000, 0.0008227100000000 ] - [ -0.0018315300000000, -0.0001379800000000, 0.0018712500000000 ] - [ 0.0004500100000000, 0.0003610400000000, 0.0000392800000000 ] - [ 0.0033373300000000, 0.0021553700000000, 0.0072877800000000 ] - [ 0.0004247300000000, 0.0004734600000000, 0.0001986100000000 ] - [ 0.0004014600000000, 0.0001113300000000, 0.0001488800000000 ] - [ -0.0003021600000000, 0.0003530100000000, 0.0000390300000000 ] - [ 0.0000524000000000, -0.0001759600000000, 0.0000191100000000 ] - [ 0.0001490400000000, 0.0000066400000000, -0.0003862200000000 ] - [ -0.0012707200000000, 0.0015707400000000, -0.0011096500000000 ] - [ -0.0009181700000000, 0.0000948200000000, -0.0000127500000000 ] - [ -0.0004298500000000, 0.0001367400000000, -0.0000014200000000 ] - [ -0.0002823900000000, 0.0001907300000000, 0.0003088300000000 ] - [ 0.0002573500000000, -0.0004748700000000, -0.0000080400000000 ] - [ -0.0005977500000000, 0.0000666500000000, -0.0003762700000000 ] - [ 0.0002726200000000, -0.0003014100000000, -0.0007588400000000 ] - [ 0.0000612400000000, 0.0004761100000000, 0.0000563800000000 ] - [ 0.0004916400000000, 0.0000952800000000, 0.0000123400000000 ] - [ -0.0037786900000000, 0.0042886400000000, 0.1746863400000000 ] - [ -0.0000902000000000, -0.0001367200000000, 0.0000249900000000 ] - [ -0.0019637300000000, 0.0007799100000000, 0.0072922000000000 ] - [ -0.0000971400000000, -0.0003801900000000, 0.0001725400000000 ] - [ -0.0000077900000000, -0.0005659500000000, -0.0001371400000000 ] - [ 0.0282665600000000, 0.0258967100000000, 0.0338842900000000 ] - [ 0.0001645600000000, 0.0000647000000000, -0.0000639900000000 ] - [ 0.0008590400000000, -0.0023238000000000, 0.0085166700000000 ] - [ 0.0003762600000000, 0.0002623900000000, -0.0002782900000000 ] - [ -0.0039396100000000, 0.0012699900000000, 0.0020608200000000 ] - [ -0.0000470700000000, 0.0002564000000000, -0.0005151500000000 ] - [ -0.0003492400000000, -0.0002482400000000, -0.0003770400000000 ] - [ -0.0000399200000000, -0.0003504400000000, -0.0000569700000000 ] - [ -0.0003551200000000, -0.0000323300000000, -0.0005227200000000 ] - [ 0.0001769700000000, 0.0002963500000000, 0.0001317200000000 ] - [ -0.0000339100000000, -0.0003544700000000, 0.0002471100000000 ] - [ -0.0002975900000000, -0.0001583700000000, -0.0000383800000000 ] - [ -0.0004912600000000, 0.0000340800000000, -0.0002010600000000 ] - [ 0.0008384100000000, 0.0000702100000000, 0.0004568200000000 ] - [ 0.0001325700000000, 0.0008473100000000, -0.0003469900000000 ] - [ -0.0001075000000000, -0.0002333800000000, 0.0000529000000000 ] - [ -0.0003957400000000, -0.0001769300000000, 0.0000432200000000 ] - [ -0.0002402800000000, -0.0000827600000000, -0.0002014700000000 ] - [ 0.0001886200000000, 0.0001184700000000, -0.0001169300000000 ] - [ 0.0000806600000000, 0.0003379200000000, -0.0000221700000000 ] - [ 0.0002623400000000, -0.0007246900000000, 0.0002210900000000 ] - [ 0.0003132400000000, 0.0000197000000000, 0.0000701800000000 ] - [ -0.0002596300000000, -0.0003505900000000, 0.0004486600000000 ] - [ 0.0046517300000000, -0.0067999100000000, -0.0115946700000000 ] - [ -0.0001397800000000, -0.0004014300000000, 0.0001399400000000 ] - [ -0.0001437700000000, 0.0017878400000000, -0.0005615300000000 ] - [ -0.0012172300000000, -0.0001867500000000, -0.0003254600000000 ] - [ 0.0000125900000000, -0.0000820700000000, 0.0000945800000000 ] - [ 0.0001603800000000, -0.0000838800000000, -0.0001450700000000 ] - [ 0.0026741000000000, 0.0024888900000000, 0.0020639100000000 ] - [ 0.0004074500000000, -0.0040461400000000, 0.0003215100000000 ] - [ 0.0020783300000000, -0.0005501800000000, -0.0007266200000000 ] - [ -0.0000280800000000, -0.0000872800000000, 0.0009860600000000 ] - [ 0.0026630100000000, 0.0076742500000000, -0.0118471800000000 ] - [ -0.0013537600000000, 0.0031563600000000, 0.0003389800000000 ] - [ 0.0093490300000000, -0.0387896200000000, 0.0360561800000000 ] - [ -0.0090288600000000, -0.0010833400000000, -0.0110365200000000 ] - [ -0.0001285100000000, 0.0005490100000000, 0.0003920300000000 ] - [ 0.0001250600000000, -0.0001332700000000, -0.0000403300000000 ] - [ 0.0001698200000000, 0.0000543300000000, -0.0003360500000000 ] - [ 0.0000379600000000, 0.0000835200000000, 0.0006881900000000 ] - [ -0.0025847400000000, -0.0033210900000000, 0.0006600900000000 ] - [ -0.0004577300000000, -0.0017308200000000, -0.0009635700000000 ] - [ 0.0001653500000000, -0.0000738100000000, -0.0003876000000000 ] - [ -0.0001783800000000, -0.0000300800000000, -0.0000684800000000 ] - [ 0.0002988900000000, -0.0001932100000000, -0.0001985100000000 ] - [ 0.0003055200000000, 0.0000488500000000, -0.0002235100000000 ] - [ -0.0363591500000000, 0.0118472500000000, 0.0344331800000000 ] - [ -0.0004331600000000, 0.0004371700000000, -0.0012766200000000 ] - [ 0.0003642000000000, -0.0001868100000000, 0.0001278500000000 ] - [ -0.0002626500000000, 0.0000182800000000, -0.0003979000000000 ] - [ 0.0022295100000000, 0.0010740500000000, -0.0010054900000000 ] - [ 0.0000158600000000, -0.0001918100000000, -0.0009538500000000 ] - [ 0.0003315000000000, -0.0002629500000000, 0.0001342200000000 ] - [ -0.0002460700000000, 0.0000740900000000, -0.0012668300000000 ] - [ 0.0000899600000000, 0.0005230600000000, -0.0001398900000000 ] - [ 0.0002191300000000, -0.0000808700000000, -0.0005319500000000 ] - [ 0.0001667800000000, -0.0000067200000000, 0.0000139900000000 ] - [ -0.0003194400000000, -0.0002046600000000, -0.0001216800000000 ] - [ -0.0000027700000000, 0.0001245300000000, -0.0000308900000000 ] - [ 0.0002744200000000, 0.0003013500000000, -0.0000198200000000 ] - [ 0.0000782600000000, -0.0001275800000000, -0.0001239200000000 ] - [ 0.0000030300000000, 0.0000787500000000, 0.0000539800000000 ] - [ 0.0004950800000000, 0.0002755300000000, -0.0004225800000000 ] - [ -0.0000612500000000, -0.0000179600000000, -0.0000249600000000 ] - [ -0.0000408200000000, -0.0003140000000000, -0.0003665100000000 ] - [ -0.0002643300000000, 0.0001503800000000, -0.0000359300000000 ] - [ 0.0005098400000000, -0.0001282900000000, -0.0000811400000000 ] - [ -0.0004931200000000, -0.0002742300000000, -0.0001780800000000 ] - [ -0.0001499400000000, -0.0003885000000000, 0.0001309100000000 ] - [ -0.0006246400000000, 0.0007675500000000, -0.0000115700000000 ] - [ -0.0000726800000000, 0.0000568500000000, 0.0009603200000000 ] - [ -0.0000290400000000, -0.0008876300000000, -0.0003789600000000 ] - [ 0.0041392400000000, -0.0011833100000000, -0.0001034800000000 ] - [ 0.0000376800000000, 0.0003839200000000, 0.0001423900000000 ] - [ -0.0007286900000000, -0.0002470200000000, 0.0001710800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000616600000000, 0.0000367200000000, 0.0002145800000000 ] - [ -0.0000340900000000, -0.0001198500000000, -0.0003204800000000 ] - [ 0.0001064800000000, 0.0001044600000000, 0.0003401200000000 ] - [ -0.0000646200000000, -0.0000857300000000, 0.0001692100000000 ] - [ 0.0015677000000000, -0.0031639800000000, -0.0048425500000000 ] - [ -0.0040370800000000, 0.0002500600000000, -0.0052496200000000 ] - [ -0.0000753200000000, 0.0000388500000000, -0.0002844600000000 ] - [ 0.0000341400000000, -0.0000153800000000, 0.0000485700000000 ] - [ -0.0001174200000000, -0.0000089300000000, 0.0003698200000000 ] - [ -0.0019136100000000, 0.0025218300000000, 0.0014938300000000 ] - [ 0.0001581600000000, 0.0000600600000000, 0.0001213300000000 ] - [ 0.0000618000000000, 0.0000475900000000, -0.0002970300000000 ] - [ 0.0001879500000000, 0.0001449100000000, 0.0004070500000000 ] - [ 0.0020303200000000, 0.0032317600000000, -0.0049974500000000 ] - [ -0.0001316300000000, -0.0000092100000000, 0.0003174300000000 ] - [ -0.0000340100000000, 0.0000900300000000, 0.0001656000000000 ] - [ 0.0000342900000000, -0.0000570100000000, 0.0002014800000000 ] - [ -0.0016411700000000, -0.0029866100000000, 0.0013668800000000 ] - [ -0.0000023500000000, 0.0001728000000000, -0.0000515500000000 ] - [ -0.0000060600000000, 0.0000337300000000, 0.0000458600000000 ] - [ 0.0001513200000000, -0.0000742300000000, -0.0000666800000000 ] - [ 0.0000765100000000, -0.0001000800000000, 0.0003538100000000 ] - [ 0.0040173200000000, -0.0000011200000000, 0.0014221000000000 ] - [ -0.0001808400000000, 0.0001288400000000, 0.0001148100000000 ] - [ -0.0000736700000000, -0.0005923800000000, -0.0003142300000000 ] - [ -0.0003133900000000, 0.0001199500000000, 0.0000919200000000 ] - [ 0.0046978900000000, 0.0068637200000000, -0.0009559500000000 ] - [ 0.0014197200000000, 0.0010562900000000, -0.0008731100000000 ] - [ -0.0033230700000000, 0.0051101700000000, 0.3152688400000000 ] - [ 0.0002092300000000, -0.0023778300000000, -0.0001803600000000 ] - [ -0.0006955300000000, -0.0000962400000000, 0.0000249500000000 ] - [ -0.0000693300000000, -0.0003139100000000, -0.0000786400000000 ] - [ 0.0002969200000000, 0.0000461300000000, -0.0001058500000000 ] - [ 0.0002868500000000, -0.0009008000000000, -0.0005227300000000 ] - [ 0.0003526600000000, 0.0009565500000000, 0.0001379800000000 ] - [ -0.0002558800000000, -0.0000732200000000, -0.0000805900000000 ] - [ -0.0002093800000000, 0.0002371500000000, -0.0001084700000000 ] - [ -0.0006269800000000, 0.0005510400000000, -0.0001520000000000 ] - [ -0.0000058200000000, -0.0000138600000000, 0.0004656300000000 ] - [ -0.0010002500000000, 0.0001335100000000, -0.0006614400000000 ] - [ 0.0008775700000000, 0.0016064400000000, -0.0002635700000000 ] - [ 0.0019288600000000, -0.0077933200000000, -0.0010929100000000 ] - [ 0.0000168800000000, -0.0000058000000000, 0.0004681600000000 ] - [ -0.0010317300000000, 0.0002776100000000, -0.0008139900000000 ] - [ 0.0000377300000000, 0.0000915800000000, 0.0000514300000000 ] - [ 0.0002012000000000, 0.0005096300000000, -0.0001295300000000 ] - [ -0.0076586900000000, 0.0014463200000000, -0.0005785800000000 ] - [ 0.0005781700000000, -0.0005654500000000, -0.0001711000000000 ] - [ 0.0002284500000000, -0.0008898800000000, -0.0006929900000000 ] - [ 0.0010150000000000, 0.0002784800000000, 0.0005784800000000 ] - [ -0.0002968300000000, 0.0004327300000000, -0.0003931800000000 ] - [ 0.0004374800000000, -0.0016538800000000, -0.0003663200000000 ] - [ 0.0003767100000000, -0.0003105800000000, 0.0000525600000000 ] - [ -0.0002461800000000, -0.0006385500000000, 0.0004299600000000 ] - [ 0.0065128000000000, 0.0031163900000000, 0.0115259100000000 ] - [ 0.0002316600000000, 0.0001199200000000, -0.0004879100000000 ] - [ -0.0001192500000000, 0.0005247200000000, -0.0004867000000000 ] - [ -0.0004786200000000, 0.0015542500000000, -0.0007093100000000 ] - [ 0.0011027100000000, 0.0001917000000000, -0.0018471400000000 ] - [ -0.0000372500000000, -0.0007715800000000, 0.0004842000000000 ] - [ -0.0002033000000000, 0.0003797000000000, -0.0007077200000000 ] - [ -0.0003864900000000, -0.0003769300000000, -0.0005056200000000 ] - [ -0.0005628200000000, -0.0007742700000000, -0.0501363500000000 ] - [ -0.0059210600000000, 0.0050768200000000, 0.0115445600000000 ] - [ 0.0001507500000000, -0.0002958300000000, -0.0007924000000000 ] - [ 0.0002778300000000, -0.0100465200000000, 0.0106551200000000 ] - [ -0.0011555600000000, 0.0007399500000000, -0.0012918500000000 ] - [ 0.0002219700000000, 0.0008248700000000, 0.0001788700000000 ] - [ 0.0000519800000000, 0.0004677000000000, -0.0007090800000000 ] - [ -0.0003186500000000, -0.0006030800000000, -0.0020975000000000 ] - [ 0.0001814100000000, -0.0002306900000000, -0.0011995900000000 ] - [ 0.0003196900000000, -0.0000564600000000, 0.0003120900000000 ] - [ -0.0027412400000000, -0.0018682300000000, -0.0071578500000000 ] - [ 0.0002956700000000, -0.0001220400000000, 0.0000590700000000 ] - [ 0.0004619200000000, 0.0001538500000000, 0.0001078000000000 ] - [ -0.0004850600000000, 0.0000938400000000, 0.0000316500000000 ] - [ 0.0001068500000000, 0.0000241700000000, -0.0000623000000000 ] - [ 0.0000387600000000, 0.0002735300000000, 0.0002723400000000 ] - [ 0.0013476600000000, -0.0010906900000000, 0.0007747200000000 ] - [ -0.0001738200000000, -0.0001410500000000, 0.0000164500000000 ] - [ -0.0002831200000000, 0.0001164000000000, -0.0000422300000000 ] - [ -0.0002871700000000, 0.0001896900000000, -0.0001395300000000 ] - [ 0.0003669500000000, -0.0005026200000000, 0.0000339300000000 ] - [ -0.0007961500000000, 0.0008341700000000, -0.0003328300000000 ] - [ 0.0002971000000000, -0.0000777600000000, 0.0009349600000000 ] - [ -0.0000829500000000, 0.0004313000000000, 0.0000134100000000 ] - [ 0.0006048500000000, -0.0000490400000000, -0.0000071800000000 ] - [ 0.0039917800000000, -0.0043357800000000, -0.1871934400000000 ] - [ -0.0000964500000000, -0.0001442600000000, -0.0001439400000000 ] - [ 0.0020698100000000, -0.0004031300000000, -0.0077656200000000 ] - [ 0.0001523500000000, 0.0005926900000000, -0.0002150100000000 ] - [ 0.0002304900000000, 0.0000669900000000, 0.0002363500000000 ] - [ -0.0274534800000000, -0.0254774700000000, -0.0343482200000000 ] - [ 0.0000495500000000, -0.0000110500000000, 0.0000199800000000 ] - [ -0.0007191900000000, 0.0023612900000000, -0.0069409600000000 ] - [ -0.0004332100000000, -0.0004766900000000, 0.0002372300000000 ] - [ 0.0035850400000000, -0.0009867900000000, -0.0023976000000000 ] - [ 0.0004824500000000, -0.0006431000000000, 0.0003891500000000 ] - [ -0.0011236300000000, -0.0005055900000000, -0.0003283900000000 ] - [ -0.0000730900000000, -0.0002117800000000, -0.0000755900000000 ] - [ 0.0002413400000000, 0.0007551100000000, 0.0004893800000000 ] - [ 0.0000290900000000, 0.0005814300000000, 0.0001276000000000 ] - [ -0.0000088100000000, -0.0003278000000000, -0.0000779700000000 ] - [ -0.0003144000000000, -0.0001444500000000, 0.0002131800000000 ] - [ -0.0000757200000000, -0.0005239300000000, 0.0001606100000000 ] - [ -0.0001827300000000, -0.0006862200000000, -0.0002013500000000 ] - [ -0.0000472700000000, 0.0008019800000000, -0.0003601900000000 ] - [ -0.0002079900000000, -0.0002202100000000, 0.0000433100000000 ] - [ -0.0003930800000000, -0.0002784300000000, 0.0000303400000000 ] - [ -0.0002129600000000, -0.0001079900000000, -0.0001342400000000 ] - [ 0.0002648200000000, 0.0000714300000000, -0.0002193700000000 ] - [ 0.0002344300000000, 0.0001149900000000, 0.0001174500000000 ] - [ -0.0002420100000000, -0.0001807800000000, -0.0001514800000000 ] - [ 0.0002371400000000, -0.0000715700000000, 0.0000267600000000 ] - [ -0.0004056500000000, 0.0007872900000000, -0.0001978000000000 ] - [ -0.0053666600000000, 0.0064476500000000, 0.0118216900000000 ] - [ -0.0000655300000000, -0.0004740600000000, 0.0001177100000000 ] - [ -0.0000145000000000, -0.0016439500000000, 0.0005216300000000 ] - [ 0.0017549100000000, 0.0011775400000000, 0.0003349700000000 ] - [ 0.0000902900000000, -0.0000444200000000, 0.0015303000000000 ] - [ 0.0001850000000000, 0.0000162900000000, -0.0001196800000000 ] - [ -0.0027701300000000, -0.0026212800000000, -0.0020525400000000 ] - [ -0.0005098700000000, 0.0043696900000000, -0.0005952900000000 ] - [ -0.0006172800000000, 0.0013060300000000, 0.0000211300000000 ] - [ -0.0000301800000000, -0.0000568300000000, 0.0006231100000000 ] - [ -0.0018841200000000, -0.0081226600000000, 0.0118974900000000 ] - [ 0.0008357400000000, -0.0041868000000000, -0.0003292100000000 ] - [ -0.0091096100000000, 0.0375539100000000, -0.0363791500000000 ] - [ 0.0083754700000000, 0.0016916100000000, 0.0112827300000000 ] - [ 0.0009217600000000, -0.0000951500000000, -0.0003172800000000 ] - [ 0.0001618900000000, -0.0001311500000000, -0.0003979100000000 ] - [ 0.0001993200000000, 0.0000609500000000, -0.0000962700000000 ] - [ 0.0000202500000000, 0.0000595400000000, 0.0009220600000000 ] - [ 0.0023961200000000, 0.0033017700000000, -0.0007106400000000 ] - [ 0.0005277400000000, 0.0018571700000000, 0.0009816300000000 ] - [ -0.0000103000000000, -0.0002288400000000, 0.0002713300000000 ] - [ -0.0001908100000000, -0.0000853400000000, -0.0003661900000000 ] - [ -0.0002270900000000, 0.0000658500000000, 0.0002161000000000 ] - [ -0.0004521300000000, -0.0000703500000000, 0.0018422300000000 ] - [ 0.0357554300000000, -0.0112155300000000, -0.0346543400000000 ] - [ 0.0001439800000000, -0.0001703100000000, 0.0008458600000000 ] - [ -0.0002319200000000, 0.0001829100000000, -0.0001114200000000 ] - [ -0.0000774400000000, -0.0000014000000000, 0.0002790500000000 ] - [ -0.0025867300000000, -0.0010112000000000, 0.0007406600000000 ] - [ -0.0001042800000000, -0.0001836000000000, 0.0005231700000000 ] - [ 0.0003352200000000, -0.0001685900000000, 0.0001166700000000 ] - [ 0.0002871900000000, 0.0006050000000000, 0.0014446600000000 ] - [ 0.0001258200000000, -0.0002733500000000, -0.0001293800000000 ] - [ -0.0007726800000000, 0.0001311300000000, 0.0006275600000000 ] - [ 0.0001723700000000, -0.0000107000000000, -0.0001358700000000 ] - [ -0.0002213700000000, 0.0000228700000000, -0.0000059900000000 ] - [ -0.0000628000000000, -0.0006145800000000, -0.0003058800000000 ] - [ 0.0002949400000000, 0.0001868000000000, -0.0000210400000000 ] - [ 0.0000146600000000, -0.0001684700000000, -0.0001581500000000 ] - [ -0.0000766700000000, 0.0000495400000000, -0.0000362000000000 ] - [ -0.0003844200000000, 0.0002878500000000, 0.0002902900000000 ] - [ -0.0000740400000000, 0.0000227400000000, 0.0000421700000000 ] - [ 0.0004236900000000, 0.0000178600000000, 0.0000356500000000 ] - [ -0.0001691300000000, 0.0002333400000000, -0.0000901800000000 ] - [ 0.0002032600000000, -0.0001236600000000, 0.0000372400000000 ] - [ 0.0002802500000000, 0.0000238400000000, -0.0000903100000000 ] - [ 0.0001257500000000, -0.0004110000000000, 0.0001223100000000 ] - [ 0.0000023500000000, 0.0002066700000000, 0.0000397100000000 ] - [ -0.0000286800000000, 0.0000701700000000, 0.0006574300000000 ] - [ -0.0000586800000000, -0.0007617500000000, -0.0003281400000000 ] - [ -0.0027923400000000, 0.0002942500000000, -0.0006018800000000 ] - [ -0.0000121400000000, 0.0004149600000000, 0.0001103900000000 ] - [ -0.0001292900000000, -0.0000164000000000, 0.0000868400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0036853900000000, 0.0014837300000000, 0.0067730200000000 ] - [ 0.0022074300000000, -0.0001286900000000, 0.0006216800000000 ] - [ 0.0010359600000000, 0.0001792100000000, 0.0002908400000000 ] - [ -0.0025225700000000, 0.0042896900000000, 0.0027355400000000 ] - [ -0.0023606700000000, -0.0036908500000000, 0.0015667400000000 ] - [ 0.0004406400000000, -0.0009576400000000, 0.0004088900000000 ] - [ 0.0001905500000000, -0.0012588400000000, -0.0003421100000000 ] - [ 0.0044309500000000, 0.0004374500000000, -0.0039026200000000 ] - [ 0.0000059600000000, 0.0009987900000000, 0.0003043100000000 ] - [ -0.0037677500000000, -0.0054837000000000, -0.0027627000000000 ] - [ 0.0013134000000000, 0.0000390800000000, 0.0001224100000000 ] - [ 0.0001374000000000, 0.0010370100000000, -0.0002032700000000 ] - [ 0.0018920000000000, -0.0001936600000000, -0.0005578200000000 ] - [ -0.0000764000000000, -0.0002904500000000, 0.0000740800000000 ] - [ 0.0004515500000000, 0.0008410400000000, 0.0001769300000000 ] - [ 0.0012276800000000, -0.0000473000000000, 0.0001328800000000 ] - [ -0.0001245100000000, 0.0001141000000000, 0.0001463400000000 ] - [ 0.0000600400000000, -0.0001309700000000, 0.0001429300000000 ] - [ 0.0004444600000000, 0.0011210900000000, 0.0002063600000000 ] - [ -0.0002464800000000, 0.0003131700000000, 0.0000370600000000 ] - [ 0.0012126400000000, 0.0000927100000000, -0.0000326600000000 ] - [ 0.0000687100000000, -0.0012768000000000, 0.0004243500000000 ] - [ 0.0004128700000000, -0.0010122000000000, -0.0000695000000000 ] - [ -0.0051561700000000, 0.0049728200000000, -0.0036528200000000 ] - [ 0.0011459700000000, 0.0008841800000000, -0.0002131000000000 ] - [ 0.0001620800000000, 0.0015923500000000, -0.0000447100000000 ] - [ 0.0016492200000000, -0.0036874200000000, -0.0011506500000000 ] - [ 0.0007563400000000, 0.0012433900000000, -0.0002824600000000 ] - [ -0.0021001600000000, -0.0025959800000000, 0.0003018900000000 ] - [ 0.0447853100000000, -0.0032462500000000, 0.0107665400000000 ] - [ 0.0012824500000000, 0.0024220300000000, -0.0011496900000000 ] - [ 0.0014273400000000, 0.0005558900000000, 0.0004111100000000 ] - [ 0.0007693900000000, -0.0007482100000000, 0.0004100500000000 ] - [ 0.0074977400000000, 0.0185988400000000, -0.0012012700000000 ] - [ 0.0029287800000000, 0.0007480200000000, -0.0001218600000000 ] - [ 0.0022912200000000, -0.0275733300000000, -0.0058676100000000 ] - [ -0.0053463900000000, 0.0001840600000000, 0.0015159000000000 ] - [ 0.0025836300000000, 0.0009237000000000, -0.0000359200000000 ] - [ 0.0038386900000000, 0.0007419400000000, 0.0007603200000000 ] - [ 0.0002766100000000, -0.0014967400000000, -0.0000506200000000 ] - [ 0.0015485100000000, -0.0018213500000000, -0.0004676100000000 ] - [ -0.0003875700000000, -0.0017093400000000, -0.0002163300000000 ] - [ -0.0019295800000000, 0.0041878800000000, 0.0001651900000000 ] - [ 0.0039333500000000, -0.0008289100000000, 0.0005150100000000 ] - [ 0.0013544900000000, 0.0015039500000000, 0.0005979600000000 ] - [ -0.0027699800000000, 0.0000149200000000, 0.0001596600000000 ] - [ -0.0015031700000000, 0.0006518900000000, 0.0000977600000000 ] - [ 0.0022715000000000, -0.0018013200000000, 0.0012294200000000 ] - [ -0.4573291700000000, -0.0036826100000000, -0.0015096600000000 ] - [ 0.0011750800000000, 0.0021761100000000, 0.0003113900000000 ] - [ -0.0033835100000000, -0.0035335800000000, -0.0004585400000000 ] - [ 0.0022345500000000, -0.0020190100000000, 0.0002352000000000 ] - [ 0.0033256300000000, 0.0005106400000000, 0.0004707900000000 ] - [ 0.0035383800000000, -0.0003770900000000, 0.0000997600000000 ] - [ -0.0046309000000000, 0.0032124700000000, 0.0015097200000000 ] - [ 0.0064363900000000, -0.0019416800000000, 0.0009865800000000 ] - [ 0.0028958800000000, 0.0007330000000000, -0.0000723300000000 ] - [ -0.0016996800000000, -0.0030832200000000, 0.0084157100000000 ] - [ 0.0020056100000000, -0.0007050100000000, 0.0003431200000000 ] - [ 0.0044605400000000, 0.0017014700000000, 0.0005249700000000 ] - [ 0.0008769200000000, 0.0010507600000000, -0.0005767400000000 ] - [ -0.0017385800000000, 0.0020150600000000, -0.0009405300000000 ] - [ -0.0005366300000000, -0.0027155600000000, -0.0007036900000000 ] - [ 0.0001617200000000, -0.0022129100000000, -0.0005074500000000 ] - [ 0.0008525500000000, 0.0010991600000000, -0.0008435000000000 ] - [ 0.0058750500000000, -0.0075383400000000, -0.0040997500000000 ] - [ -0.0039198600000000, 0.0011342000000000, -0.0053292400000000 ] - [ -0.0028830300000000, 0.0018136800000000, -0.0048941900000000 ] - [ 0.0017673000000000, -0.0005326200000000, -0.0005782800000000 ] - [ 0.0005076700000000, 0.0011635200000000, -0.0006852800000000 ] - [ -0.0010529800000000, -0.0011921300000000, 0.0002678900000000 ] - [ 0.0051588600000000, 0.0084662200000000, -0.0008771900000000 ] - [ -0.0008128700000000, 0.0025035100000000, 0.0023262600000000 ] - [ -0.0000471700000000, -0.0003469000000000, 0.0000082400000000 ] - [ 0.0003555500000000, -0.0012116400000000, 0.0003090400000000 ] - [ -0.0017740300000000, -0.0006110000000000, 0.0001544300000000 ] - [ -0.0020776100000000, 0.0004175500000000, 0.0001619400000000 ] - [ 0.0351602000000000, -0.0009007300000000, 0.0042105700000000 ] - [ 0.0024265200000000, -0.0009770600000000, 0.0007119700000000 ] - [ -0.0004217700000000, -0.0008332800000000, 0.0006295200000000 ] - [ 0.0026435900000000, 0.0001369700000000, 0.0003358800000000 ] - [ -0.0017303100000000, 0.0002307500000000, 0.0001755800000000 ] - [ 0.0002520900000000, -0.0014518600000000, 0.0001322100000000 ] - [ -0.0017880400000000, 0.0018478300000000, -0.0009244000000000 ] - [ -0.0044434000000000, -0.0002895300000000, -0.0125114300000000 ] - [ -0.0024157500000000, 0.0003059000000000, -0.0001188700000000 ] - [ -0.0045188400000000, 0.0043994900000000, -0.0003858100000000 ] - [ 0.0005538100000000, 0.0012951500000000, 0.0001023400000000 ] - [ -0.0016441300000000, -0.0003310300000000, -0.0005325300000000 ] - [ 0.0014135200000000, -0.0001689000000000, -0.0009495900000000 ] - [ -0.0093493000000000, -0.0053172200000000, 0.0013399500000000 ] - [ -0.0011717200000000, -0.0000604000000000, 0.0001009700000000 ] - [ 0.0003596800000000, 0.0043045300000000, 0.0001549400000000 ] - [ -0.0022805100000000, -0.0006960600000000, 0.0002834100000000 ] - [ -0.0000857100000000, 0.0007590000000000, 0.0007638400000000 ] - [ -0.0015078500000000, -0.0001731800000000, -0.0002801400000000 ] - [ -0.0003337100000000, 0.0009593600000000, -0.0002393900000000 ] - [ 0.0053890200000000, 0.0007746200000000, 0.0008632200000000 ] - [ -0.0010813000000000, -0.0012051500000000, -0.0005024900000000 ] - [ -0.0003261200000000, -0.0049839300000000, 0.0001384900000000 ] - [ -0.0002650800000000, -0.0000162500000000, 0.0000352400000000 ] - [ 0.1253546300000000, -0.0878140700000000, 0.0428545900000000 ] - [ -0.0014057200000000, -0.0023325700000000, 0.0016709100000000 ] - [ -0.0017086400000000, -0.0004055000000000, -0.0000438000000000 ] - [ 0.0031548000000000, 0.0010754100000000, -0.0015397700000000 ] - [ -0.0009049200000000, -0.0000880200000000, 0.0001997900000000 ] - [ -0.0014338700000000, -0.0012456800000000, 0.0001742700000000 ] - [ -0.0020142600000000, -0.0005976100000000, 0.0000697400000000 ] - [ 0.0000525800000000, -0.0022721200000000, 0.0000751500000000 ] - [ -0.0010329100000000, -0.0012766100000000, -0.0004441100000000 ] - [ 0.0059885100000000, 0.0092384100000000, -0.0021034100000000 ] - [ 0.0038789600000000, -0.0017727500000000, 0.0001920700000000 ] - [ 0.2055125100000000, 0.0403658400000000, -0.0651707500000000 ] - [ 0.0000179900000000, -0.0019748900000000, 0.0001626100000000 ] - [ 0.0549546800000000, 0.0486898600000000, 0.0183032200000000 ] - [ -0.0005288000000000, 0.0011558500000000, 0.0001259100000000 ] - [ -0.0015501100000000, -0.0008508400000000, 0.0004276100000000 ] - [ -0.0013531500000000, 0.0026393500000000, -0.0017730000000000 ] - [ 0.0004244700000000, -0.0001842700000000, -0.0001354800000000 ] - [ 0.0001865000000000, -0.0028512800000000, 0.0058357800000000 ] - [ -0.0030755500000000, -0.0018459900000000, -0.0009809400000000 ] - [ 0.0005232500000000, -0.0008891300000000, -0.0000716500000000 ] - [ -0.0099589400000000, 0.0106103400000000, 0.0002819800000000 ] - [ 0.0007755200000000, 0.0010863300000000, -0.0004219900000000 ] - [ 0.0011507700000000, 0.0009292900000000, -0.0000705000000000 ] - [ 0.0010554000000000, 0.0020107600000000, 0.0000483100000000 ] - [ -0.0004577800000000, 0.0009540700000000, -0.0002449200000000 ] - [ -0.0000234800000000, 0.0010769400000000, 0.0000060100000000 ] - [ 0.0009383600000000, 0.0006915800000000, 0.0001253400000000 ] - [ -0.0008931800000000, 0.0013533800000000, 0.0000082200000000 ] - [ 0.0000035000000000, -0.0009170900000000, -0.0002019700000000 ] - [ 0.0026801400000000, 0.0043554900000000, 0.0076643000000000 ] - [ -0.0003608100000000, -0.0005248200000000, 0.0008992000000000 ] - [ -0.0042108300000000, 0.0013320600000000, 0.0001041000000000 ] - [ -0.0001361900000000, 0.0010551000000000, 0.0001694400000000 ] - [ -0.0005482000000000, -0.0004711400000000, -0.0000485800000000 ] - [ -0.0014421000000000, -0.0008969900000000, -0.0010167600000000 ] - [ 0.0004278000000000, 0.0003947600000000, -0.0000491900000000 ] - [ -0.0000855200000000, -0.0004307200000000, 0.0009198300000000 ] - [ 0.0025827100000000, 0.0006296000000000, 0.0002882000000000 ] - [ -0.0001869100000000, 0.0007692400000000, -0.0000928400000000 ] - [ -0.0033886400000000, -0.0034320000000000, -0.0007579800000000 ] - [ -0.0006575400000000, 0.0003475900000000, -0.0000525700000000 ] - [ -0.0018627000000000, 0.0008603300000000, 0.0003909500000000 ] - [ -0.0008082600000000, 0.0004592200000000, 0.0001086800000000 ] - [ -0.0010421500000000, -0.0003055100000000, -0.0000248000000000 ] - [ -0.0010960300000000, 0.0008773700000000, -0.0002513400000000 ] - [ -0.0006602600000000, -0.0013856800000000, -0.0011294800000000 ] - [ -0.0003559500000000, 0.0006927500000000, 0.0001840400000000 ] - [ 0.0007851300000000, -0.0014576800000000, 0.0003003300000000 ] - [ -0.0014214300000000, -0.0010432100000000, -0.0001101200000000 ] - [ -0.0025240400000000, 0.0016654500000000, -0.0000268500000000 ] - [ -0.0029409300000000, 0.0001598200000000, -0.0004372900000000 ] - [ -0.0015045500000000, 0.0001514400000000, -0.0004241300000000 ] - [ 0.0000725200000000, -0.0010416300000000, -0.0001344100000000 ] - [ -0.0012167500000000, 0.0010380000000000, -0.0002769700000000 ] - [ 0.0005070100000000, 0.0007393900000000, 0.0008433700000000 ] - [ -0.0001522800000000, -0.0007909200000000, -0.0001530000000000 ] - [ -0.0031960800000000, -0.0000526400000000, -0.0001603300000000 ] - [ -0.0003608500000000, -0.0003038900000000, 0.0000343300000000 ] - [ -0.0018333300000000, -0.0004367600000000, -0.0000116800000000 ] - [ -0.0011050100000000, -0.0005577200000000, 0.0001712600000000 ] - [ -0.0000361700000000, 0.0022162000000000, 0.0001466400000000 ] - [ -0.0020139700000000, 0.0011988300000000, -0.0007796000000000 ] - [ 0.0014500900000000, 0.0006257000000000, 0.0010069100000000 ] - [ 0.0016129600000000, -0.0049515400000000, -0.0010160300000000 ] - [ 0.0019016800000000, -0.0006181500000000, -0.0001057000000000 ] - [ -0.0005091200000000, 0.0004776600000000, 0.0001169200000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0037474400000000, -0.0014496300000000, -0.0066014900000000 ] - [ -0.0022032100000000, 0.0001297600000000, -0.0005019500000000 ] - [ -0.0009200100000000, -0.0000276700000000, 0.0001674000000000 ] - [ 0.0023919700000000, -0.0044345600000000, -0.0022758400000000 ] - [ 0.0020470700000000, 0.0034822800000000, -0.0015259700000000 ] - [ -0.0002486800000000, 0.0009323500000000, 0.0000512400000000 ] - [ -0.0001875300000000, 0.0012591100000000, 0.0004542200000000 ] - [ -0.0044229900000000, -0.0004649500000000, 0.0041709500000000 ] - [ -0.0000028700000000, -0.0010009500000000, -0.0001918000000000 ] - [ 0.0038228700000000, 0.0053061100000000, 0.0032110000000000 ] - [ -0.0010150100000000, 0.0001595300000000, -0.0000889100000000 ] - [ -0.0001338000000000, -0.0010378700000000, 0.0002608200000000 ] - [ -0.0018914300000000, 0.0001966000000000, 0.0006782500000000 ] - [ 0.0000215700000000, 0.0002610300000000, 0.0001512100000000 ] - [ -0.0006438700000000, -0.0008173400000000, 0.0002821700000000 ] - [ -0.0013030400000000, 0.0002246100000000, 0.0003270100000000 ] - [ 0.0001242100000000, -0.0001787500000000, 0.0000781800000000 ] - [ -0.0000064500000000, 0.0001624200000000, 0.0000823200000000 ] - [ -0.0004686200000000, -0.0007620000000000, -0.0001724700000000 ] - [ 0.0002466900000000, -0.0002531600000000, 0.0001881800000000 ] - [ -0.0008909400000000, -0.0002537000000000, 0.0000688000000000 ] - [ -0.0000664000000000, 0.0012745200000000, -0.0003646900000000 ] - [ -0.0003896400000000, 0.0006518000000000, 0.0001032100000000 ] - [ 0.0048177100000000, -0.0048177600000000, 0.0036927700000000 ] - [ -0.0012974700000000, -0.0021729200000000, -0.0002868800000000 ] - [ -0.0004336200000000, -0.0012489600000000, -0.0000035000000000 ] - [ -0.0003594600000000, 0.0025660300000000, 0.0010389800000000 ] - [ 0.0004251300000000, -0.0007165100000000, -0.0002165200000000 ] - [ 0.0020678700000000, 0.0026308700000000, 0.0004998600000000 ] - [ -0.0446962100000000, 0.0016765300000000, -0.0109592100000000 ] - [ -0.0028958700000000, -0.0029691500000000, 0.0010496900000000 ] - [ -0.0014055800000000, -0.0005932900000000, 0.0003924200000000 ] - [ -0.0008158800000000, 0.0007497200000000, 0.0003945900000000 ] - [ -0.0084805800000000, -0.0179664800000000, 0.0007213500000000 ] - [ -0.0026004500000000, 0.0009176300000000, 0.0000135800000000 ] - [ -0.0026839700000000, 0.0276114600000000, 0.0057918100000000 ] - [ 0.0053526500000000, -0.0001263900000000, -0.0006589000000000 ] - [ -0.0038771100000000, 0.0001947100000000, -0.0000744600000000 ] - [ -0.0038596800000000, -0.0007851000000000, 0.0000355700000000 ] - [ -0.0000036200000000, 0.0011458200000000, 0.0000025600000000 ] - [ -0.0013825100000000, 0.0022377100000000, 0.0004299000000000 ] - [ -0.0007906900000000, 0.0011854900000000, -0.0002818400000000 ] - [ 0.0019700600000000, -0.0041932200000000, 0.0006387300000000 ] - [ -0.0023149300000000, 0.0013780800000000, -0.0006160200000000 ] - [ -0.0009252200000000, -0.0014347000000000, -0.0006448500000000 ] - [ 0.0029168200000000, 0.0012612800000000, -0.0006575400000000 ] - [ 0.0013377400000000, -0.0010623500000000, -0.0001327100000000 ] - [ -0.0012190900000000, 0.0010351200000000, -0.0017281200000000 ] - [ 0.4485623200000000, -0.0060986500000000, 0.0099379500000000 ] - [ 0.0004820600000000, -0.0018114700000000, 0.0003636900000000 ] - [ 0.0031791400000000, 0.0041505400000000, -0.0008171400000000 ] - [ -0.0010768900000000, 0.0007781700000000, 0.0004349000000000 ] - [ -0.0026500500000000, -0.0010470300000000, -0.0001080700000000 ] - [ -0.0036789000000000, -0.0004516500000000, 0.0002515500000000 ] - [ 0.0034648700000000, -0.0019528200000000, -0.0008368100000000 ] - [ -0.0057171400000000, 0.0018306900000000, -0.0022596300000000 ] - [ -0.0031620600000000, 0.0003045900000000, -0.0010657200000000 ] - [ 0.0018149000000000, 0.0038970100000000, -0.0079903800000000 ] - [ -0.0027726200000000, 0.0003945700000000, 0.0000090000000000 ] - [ -0.0049890600000000, -0.0033263100000000, 0.0001443500000000 ] - [ -0.0019297900000000, -0.0007622300000000, -0.0005626500000000 ] - [ 0.0009849100000000, -0.0027801900000000, -0.0001948100000000 ] - [ 0.0015839300000000, 0.0024279000000000, -0.0004351900000000 ] - [ -0.0005846000000000, 0.0016539000000000, -0.0007648000000000 ] - [ -0.0006484000000000, -0.0017328100000000, -0.0004318500000000 ] - [ -0.0065252500000000, 0.0080432700000000, 0.0044283500000000 ] - [ 0.0032369500000000, -0.0009892400000000, 0.0040836900000000 ] - [ 0.0034123100000000, -0.0002126000000000, 0.0055701800000000 ] - [ -0.0010196800000000, 0.0012919200000000, -0.0005584900000000 ] - [ -0.0000828900000000, -0.0006032000000000, -0.0005873100000000 ] - [ -0.0006008700000000, 0.0008208800000000, 0.0004063500000000 ] - [ -0.0043952100000000, -0.0081577500000000, 0.0012265800000000 ] - [ 0.0014241600000000, -0.0021973600000000, -0.0021398400000000 ] - [ 0.0007691000000000, 0.0006990400000000, 0.0002456400000000 ] - [ 0.0005089900000000, 0.0014783800000000, -0.0000550900000000 ] - [ 0.0009877300000000, 0.0010566600000000, -0.0000866600000000 ] - [ 0.0022377100000000, -0.0005716000000000, -0.0002060400000000 ] - [ -0.0350263300000000, 0.0012696400000000, -0.0061962600000000 ] - [ -0.0023653500000000, 0.0014633600000000, -0.0010524100000000 ] - [ -0.0006813000000000, 0.0007880300000000, -0.0006257000000000 ] - [ -0.0033497300000000, 0.0001218500000000, -0.0003768400000000 ] - [ 0.0011631700000000, 0.0001469200000000, -0.0000048700000000 ] - [ 0.0003694100000000, 0.0004762700000000, -0.0001058100000000 ] - [ 0.0003921500000000, -0.0009512200000000, 0.0002168000000000 ] - [ 0.0049837800000000, -0.0000919600000000, 0.0126103300000000 ] - [ 0.0023959100000000, 0.0006008900000000, 0.0001871200000000 ] - [ 0.0055877100000000, -0.0043536000000000, 0.0004034300000000 ] - [ -0.0007048000000000, -0.0009904000000000, -0.0002174100000000 ] - [ 0.0014588700000000, 0.0000491100000000, 0.0004196200000000 ] - [ -0.0013236500000000, 0.0005409200000000, 0.0005091200000000 ] - [ 0.0094374000000000, 0.0055225500000000, -0.0013657300000000 ] - [ 0.0013912800000000, -0.0004415900000000, 0.0000002100000000 ] - [ 0.0001828700000000, -0.0041080500000000, -0.0002803000000000 ] - [ 0.0024937400000000, 0.0007477200000000, -0.0003300300000000 ] - [ 0.0002341400000000, -0.0007354700000000, 0.0008481000000000 ] - [ 0.0014534300000000, -0.0000381400000000, 0.0002372100000000 ] - [ -0.0000498200000000, -0.0006605300000000, -0.0000909000000000 ] - [ -0.0049243800000000, -0.0011564200000000, -0.0009904600000000 ] - [ -0.0003902600000000, 0.0004520300000000, -0.0002031000000000 ] - [ 0.0002162400000000, 0.0044205600000000, -0.0002673000000000 ] - [ 0.0001511300000000, 0.0007330700000000, -0.0000668200000000 ] - [ -0.1286827300000000, 0.0937888400000000, -0.0449759700000000 ] - [ 0.0013651000000000, 0.0016512500000000, -0.0015030400000000 ] - [ 0.0010997600000000, 0.0001012900000000, 0.0002174500000000 ] - [ -0.0037467600000000, -0.0015744400000000, 0.0015121600000000 ] - [ 0.0015646100000000, -0.0005255700000000, 0.0000516700000000 ] - [ 0.0015244800000000, 0.0029047700000000, -0.0008826300000000 ] - [ 0.0017037700000000, 0.0001469700000000, 0.0000301400000000 ] - [ -0.0008383700000000, 0.0018147600000000, -0.0000045300000000 ] - [ 0.0005771400000000, 0.0010905700000000, 0.0001082500000000 ] - [ -0.0055266500000000, -0.0090257600000000, 0.0017662700000000 ] - [ -0.0035734600000000, 0.0022436600000000, -0.0000773000000000 ] - [ -0.1937900000000000, -0.0378439300000000, 0.0600454000000000 ] - [ 0.0005330600000000, 0.0019242200000000, -0.0000632900000000 ] - [ -0.0549958000000000, -0.0482601100000000, -0.0181708300000000 ] - [ -0.0001900600000000, -0.0015084100000000, 0.0001254400000000 ] - [ 0.0013468400000000, -0.0000219300000000, -0.0001761100000000 ] - [ 0.0011959000000000, -0.0024817800000000, 0.0017191900000000 ] - [ 0.0001040900000000, 0.0011677100000000, 0.0001440300000000 ] - [ -0.0001177000000000, 0.0027434400000000, -0.0042333900000000 ] - [ 0.0034245300000000, 0.0017817300000000, 0.0007176800000000 ] - [ -0.0005915200000000, 0.0007698500000000, 0.0000892200000000 ] - [ 0.0098064100000000, -0.0102766400000000, -0.0005435000000000 ] - [ 0.0006921900000000, -0.0003319700000000, -0.0002836600000000 ] - [ -0.0012064700000000, -0.0010661000000000, 0.0016774400000000 ] - [ -0.0002628100000000, -0.0024549900000000, 0.0000206700000000 ] - [ -0.0000719800000000, -0.0019407600000000, 0.0002545100000000 ] - [ 0.0001408200000000, -0.0017942600000000, -0.0000377200000000 ] - [ -0.0015946700000000, -0.0000805800000000, 0.0001263000000000 ] - [ 0.0016792500000000, -0.0008938600000000, 0.0000622200000000 ] - [ 0.0002837700000000, 0.0006512500000000, -0.0002360300000000 ] - [ -0.0023247900000000, -0.0042343100000000, -0.0080995700000000 ] - [ 0.0004170000000000, 0.0006686500000000, 0.0007083800000000 ] - [ 0.0039825100000000, -0.0013823600000000, -0.0001460200000000 ] - [ 0.0002036600000000, -0.0009406000000000, -0.0001530300000000 ] - [ 0.0007025200000000, 0.0001664000000000, -0.0000675300000000 ] - [ 0.0010733300000000, 0.0007858300000000, 0.0005874600000000 ] - [ -0.0003543400000000, -0.0005172400000000, 0.0000658400000000 ] - [ -0.0000630200000000, 0.0004059900000000, 0.0006920900000000 ] - [ -0.0027948300000000, -0.0001317500000000, -0.0001872200000000 ] - [ -0.0001011800000000, -0.0005007600000000, -0.0003452000000000 ] - [ 0.0035313900000000, 0.0034574500000000, 0.0007812300000000 ] - [ 0.0003187600000000, -0.0003284200000000, -0.0000672200000000 ] - [ 0.0015161900000000, -0.0007931700000000, -0.0006558500000000 ] - [ 0.0007179100000000, -0.0008380200000000, -0.0005464900000000 ] - [ 0.0017071100000000, -0.0001311400000000, 0.0002716700000000 ] - [ 0.0011369500000000, -0.0001958800000000, 0.0004193700000000 ] - [ 0.0008801200000000, 0.0016334500000000, 0.0008427100000000 ] - [ -0.0001928300000000, -0.0006383700000000, -0.0000854200000000 ] - [ -0.0004434200000000, 0.0014414100000000, -0.0004195300000000 ] - [ 0.0008805400000000, 0.0008593700000000, -0.0000163000000000 ] - [ 0.0024552400000000, -0.0021578000000000, -0.0003096800000000 ] - [ 0.0035173800000000, 0.0003151400000000, 0.0004041900000000 ] - [ 0.0016003700000000, -0.0004482100000000, 0.0001419900000000 ] - [ -0.0001475800000000, 0.0011717400000000, 0.0001535400000000 ] - [ 0.0013304100000000, -0.0004739900000000, 0.0001464000000000 ] - [ -0.0006556600000000, -0.0007423700000000, -0.0008284500000000 ] - [ 0.0005318600000000, 0.0004906800000000, -0.0001787700000000 ] - [ 0.0027669800000000, 0.0004358800000000, 0.0000365600000000 ] - [ 0.0010730800000000, 0.0000535900000000, -0.0000772500000000 ] - [ 0.0016187200000000, 0.0001835600000000, -0.0002579200000000 ] - [ 0.0010795000000000, -0.0002396700000000, 0.0000794400000000 ] - [ -0.0005920100000000, -0.0012314300000000, -0.0001161900000000 ] - [ 0.0019080800000000, -0.0010800800000000, 0.0024000700000000 ] - [ -0.0015406700000000, -0.0022694300000000, -0.0017129400000000 ] - [ -0.0002395800000000, 0.0040234100000000, 0.0003151200000000 ] - [ -0.0018715700000000, 0.0014192800000000, 0.0003549800000000 ] - [ -0.0003506000000000, -0.0007373500000000, 0.0001366300000000 ]- atom: 49 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0010461100000000, -0.0074239300000000, -0.0036207800000000 ] - [ -0.0009163800000000, -0.0003808600000000, -0.0001819300000000 ] - [ 0.0000431800000000, -0.0000799000000000, 0.0002659100000000 ] - [ 0.0038228200000000, -0.0005896100000000, 0.0011099000000000 ] - [ -0.0029403500000000, 0.0034948300000000, -0.0041458000000000 ] - [ -0.0006150900000000, 0.0008415200000000, 0.0001315100000000 ] - [ -0.0010301800000000, 0.0019060500000000, 0.0006742800000000 ] - [ -0.0024807900000000, -0.0043474800000000, 0.0031255000000000 ] - [ 0.0010558000000000, 0.0007345700000000, 0.0004360000000000 ] - [ -0.0035237600000000, 0.0026765500000000, 0.0070916900000000 ] - [ -0.0008555400000000, 0.0000904000000000, -0.0001147400000000 ] - [ 0.0009822900000000, 0.0008277200000000, -0.0003426700000000 ] - [ -0.0007780600000000, -0.0004337200000000, 0.0002982900000000 ] - [ -0.0005623100000000, 0.0010711900000000, 0.0000007000000000 ] - [ -0.0000081700000000, 0.0001372800000000, 0.0002554000000000 ] - [ -0.0010798300000000, 0.0000058400000000, 0.0003729000000000 ] - [ 0.0005436400000000, 0.0007709100000000, 0.0000321500000000 ] - [ -0.0004911300000000, 0.0010146100000000, 0.0001886300000000 ] - [ 0.0002288100000000, 0.0002686700000000, -0.0000287100000000 ] - [ 0.0006317700000000, 0.0008137900000000, 0.0002685300000000 ] - [ 0.0000656800000000, -0.0004140500000000, -0.0000573300000000 ] - [ -0.0009350100000000, 0.0017761100000000, -0.0006073700000000 ] - [ -0.0005698900000000, 0.0006098000000000, 0.0000599400000000 ] - [ 0.0057389600000000, -0.0007982900000000, -0.0026280900000000 ] - [ 0.0010269800000000, 0.0001867400000000, -0.0002708800000000 ] - [ 0.0010359400000000, 0.0010795200000000, 0.0000011000000000 ] - [ -0.0013256200000000, -0.0003901200000000, 0.0009236800000000 ] - [ 0.0015696600000000, 0.0025396000000000, -0.0006725700000000 ] - [ -0.0025579300000000, 0.0029773000000000, 0.0007699100000000 ] - [ -0.0169749100000000, -0.0047832100000000, -0.0021901500000000 ] - [ -0.0008341800000000, -0.0018546300000000, 0.0002311900000000 ] - [ -0.0012114200000000, 0.0009317200000000, 0.0004036300000000 ] - [ 0.0002382500000000, 0.0010425100000000, 0.0004054800000000 ] - [ 0.0214536400000000, 0.0165022100000000, -0.0062821500000000 ] - [ -0.0011888000000000, 0.0003844400000000, -0.0000503200000000 ] - [ -0.0145530500000000, 0.0435178800000000, 0.0063453600000000 ] - [ 0.0018996600000000, -0.0046581200000000, -0.0006716200000000 ] - [ -0.0015503700000000, 0.0002967100000000, -0.0000915500000000 ] - [ -0.0026414300000000, -0.0038734800000000, 0.0000785200000000 ] - [ -0.0006721100000000, 0.0030053300000000, -0.0000369000000000 ] - [ -0.0021568500000000, 0.0028588700000000, 0.0004598500000000 ] - [ -0.0018504300000000, 0.0021373300000000, -0.0002691800000000 ] - [ 0.0033049800000000, -0.0005518700000000, 0.0003165800000000 ] - [ -0.0011436200000000, 0.0007540000000000, -0.0004052100000000 ] - [ 0.0023159700000000, -0.0021216900000000, 0.0003670800000000 ] - [ 0.0022828600000000, 0.0030205500000000, -0.0012801900000000 ] - [ 0.0001501700000000, 0.0021746400000000, 0.0013568300000000 ] - [ -0.0027489200000000, 0.0001526800000000, -0.0018366700000000 ] - [ 0.2341145100000000, -0.3953013800000000, 0.0113671800000000 ] - [ 0.0022906000000000, 0.0014387700000000, 0.0004740600000000 ] - [ 0.0034035200000000, 0.0095140600000000, -0.0009600100000000 ] - [ -0.0016898900000000, 0.0014490800000000, 0.0004876700000000 ] - [ -0.0006082700000000, -0.0004288700000000, 0.0001149400000000 ] - [ -0.0018343100000000, -0.0011828200000000, 0.0001946900000000 ] - [ -0.0019925400000000, 0.0067320100000000, 0.0018675200000000 ] - [ -0.0098733800000000, -0.0002278300000000, -0.0034155400000000 ] - [ -0.0014569500000000, -0.0020059300000000, -0.0009110700000000 ] - [ -0.0002352200000000, -0.0013394100000000, -0.0026539600000000 ] - [ -0.0019863100000000, -0.0002845300000000, 0.0002188800000000 ] - [ 0.0046934600000000, -0.0015036000000000, 0.0005933800000000 ] - [ -0.0020669700000000, 0.0009247400000000, -0.0005806200000000 ] - [ 0.0023406500000000, -0.0000406700000000, -0.0007203700000000 ] - [ -0.0011279100000000, 0.0024188200000000, -0.0000915300000000 ] - [ -0.0020580700000000, 0.0029094600000000, -0.0007423600000000 ] - [ 0.0010975800000000, 0.0000456700000000, -0.0007005500000000 ] - [ -0.0047460200000000, 0.0029526900000000, 0.0016120500000000 ] - [ 0.0004974600000000, -0.0019728400000000, -0.0054529400000000 ] - [ 0.0005556200000000, -0.0024427400000000, 0.0104241900000000 ] - [ 0.0005145500000000, 0.0020816100000000, -0.0005748500000000 ] - [ 0.0006137900000000, 0.0023901000000000, -0.0007043200000000 ] - [ -0.0014475900000000, 0.0021729700000000, 0.0006076200000000 ] - [ 0.0001026800000000, -0.0039902300000000, 0.0004129900000000 ] - [ 0.0021322900000000, -0.0003618100000000, -0.0008677700000000 ] - [ 0.0007989700000000, -0.0010163700000000, 0.0001946900000000 ] - [ -0.0006682400000000, -0.0007014400000000, 0.0001191200000000 ] - [ 0.0002477300000000, 0.0001079100000000, -0.0000970500000000 ] - [ 0.0008888300000000, 0.0000569200000000, -0.0000445000000000 ] - [ -0.0181138800000000, 0.0314212000000000, -0.0112406400000000 ] - [ -0.0007108200000000, 0.0000145900000000, 0.0006470000000000 ] - [ -0.0027010200000000, 0.0003689900000000, 0.0013441100000000 ] - [ -0.0039406200000000, -0.0016846600000000, -0.0004119100000000 ] - [ 0.0004055900000000, 0.0004792000000000, 0.0000878700000000 ] - [ -0.0003236600000000, -0.0008365500000000, -0.0000480700000000 ] - [ 0.0010691700000000, -0.0011275900000000, 0.0003472000000000 ] - [ 0.0016824000000000, 0.0016209400000000, 0.0037248800000000 ] - [ 0.0011463600000000, 0.0011000600000000, 0.0001895000000000 ] - [ 0.0097429700000000, -0.0056825900000000, 0.0011311600000000 ] - [ 0.0008357200000000, -0.0010742600000000, -0.0005297000000000 ] - [ 0.0008157900000000, 0.0011653800000000, 0.0003274700000000 ] - [ 0.0000472200000000, -0.0020713900000000, -0.0017293300000000 ] - [ 0.0030679700000000, 0.0027870900000000, -0.0007520600000000 ] - [ 0.0016027800000000, -0.0007921800000000, -0.0000529500000000 ] - [ 0.0014825500000000, -0.0014574700000000, -0.0001044500000000 ] - [ 0.0006684300000000, 0.0004917300000000, -0.0000401100000000 ] - [ 0.0008323700000000, -0.0012360700000000, 0.0008564100000000 ] - [ 0.0008216800000000, 0.0003405500000000, 0.0001416600000000 ] - [ 0.0009276700000000, -0.0011375300000000, 0.0000474800000000 ] - [ -0.0013108800000000, 0.0016898400000000, -0.0011657700000000 ] - [ -0.0018630400000000, -0.0012702500000000, -0.0005977300000000 ] - [ -0.0015820800000000, 0.0017184700000000, 0.0001390500000000 ] - [ 0.0004032500000000, -0.0008244300000000, 0.0000488900000000 ] - [ -0.1461095800000000, 0.1666081700000000, -0.0618536200000000 ] - [ -0.0000152300000000, 0.0006468300000000, -0.0003195700000000 ] - [ 0.0002319800000000, -0.0000500000000000, 0.0001061200000000 ] - [ -0.0008141200000000, 0.0030485200000000, 0.0005020200000000 ] - [ 0.0018463800000000, -0.0011449100000000, 0.0001690300000000 ] - [ -0.0015920900000000, 0.0001114700000000, -0.0002155600000000 ] - [ -0.0017076700000000, 0.0022749200000000, 0.0003739800000000 ] - [ -0.0014119100000000, 0.0005960000000000, 0.0000230300000000 ] - [ -0.0008781200000000, -0.0000227300000000, -0.0002320100000000 ] - [ -0.0042213800000000, -0.0137196000000000, 0.0024974300000000 ] - [ -0.0028269700000000, 0.0056733600000000, 0.0011431300000000 ] - [ -0.0654050600000000, 0.0235521600000000, 0.0168827000000000 ] - [ -0.0008942300000000, -0.0007685700000000, 0.0000796500000000 ] - [ 0.0137978700000000, 0.1451984400000000, 0.0456242000000000 ] - [ 0.0008932400000000, -0.0022347200000000, -0.0000450500000000 ] - [ -0.0002550200000000, 0.0017830300000000, -0.0001223200000000 ] - [ 0.0004838800000000, 0.0005027600000000, 0.0003199500000000 ] - [ -0.0003887900000000, -0.0011759400000000, -0.0005459800000000 ] - [ -0.0045734500000000, -0.0002907400000000, 0.0081665400000000 ] - [ 0.0006815600000000, 0.0007323000000000, 0.0000149700000000 ] - [ -0.0004044100000000, -0.0031764200000000, 0.0001838500000000 ] - [ 0.0046122100000000, -0.0007730900000000, -0.0010533100000000 ] - [ 0.0014811500000000, -0.0008626600000000, -0.0004021100000000 ] - [ -0.0011379400000000, -0.0025987200000000, 0.0024928600000000 ] - [ 0.0014189600000000, -0.0013263200000000, 0.0003183100000000 ] - [ 0.0004644400000000, -0.0026266700000000, 0.0003995900000000 ] - [ 0.0016357000000000, -0.0029183800000000, -0.0001583900000000 ] - [ 0.0005180900000000, -0.0008442100000000, -0.0000808000000000 ] - [ 0.0010860100000000, -0.0006773900000000, 0.0000926400000000 ] - [ -0.0004123000000000, -0.0006455300000000, -0.0002713100000000 ] - [ 0.0002292100000000, -0.0058611200000000, -0.0129309600000000 ] - [ -0.0005062500000000, -0.0003079700000000, 0.0009094100000000 ] - [ 0.0026545600000000, -0.0003139800000000, 0.0001550100000000 ] - [ 0.0005797000000000, -0.0015494200000000, -0.0001744900000000 ] - [ 0.0006613100000000, -0.0005476100000000, -0.0000635600000000 ] - [ -0.0016448300000000, 0.0004168500000000, -0.0010778800000000 ] - [ 0.0002596600000000, -0.0018147900000000, 0.0003496100000000 ] - [ -0.0002354800000000, -0.0009815400000000, 0.0011062900000000 ] - [ 0.0016071200000000, -0.0025162600000000, -0.0003605900000000 ] - [ 0.0002164700000000, -0.0011455200000000, -0.0004415600000000 ] - [ -0.0106445700000000, 0.0002234100000000, -0.0017354700000000 ] - [ -0.0002421000000000, -0.0005632900000000, -0.0000731600000000 ] - [ 0.0013175100000000, -0.0001634100000000, -0.0005607300000000 ] - [ 0.0010863800000000, -0.0010429400000000, -0.0006485600000000 ] - [ 0.0020179000000000, 0.0012297500000000, 0.0002835200000000 ] - [ 0.0007467200000000, 0.0001839100000000, 0.0002462700000000 ] - [ 0.0000694100000000, 0.0021129300000000, 0.0008110900000000 ] - [ -0.0003991100000000, -0.0013522000000000, -0.0001539600000000 ] - [ -0.0011005500000000, -0.0000204900000000, 0.0000710800000000 ] - [ 0.0001261600000000, -0.0000995200000000, -0.0000376500000000 ] - [ 0.0034249200000000, -0.0021087200000000, -0.0002324400000000 ] - [ 0.0045441800000000, 0.0027271100000000, 0.0001626700000000 ] - [ 0.0007068600000000, -0.0000650600000000, -0.0000345900000000 ] - [ -0.0006935200000000, -0.0004671000000000, -0.0000703400000000 ] - [ 0.0006335400000000, -0.0002182100000000, -0.0000206100000000 ] - [ 0.0017222400000000, 0.0007562900000000, -0.0017654900000000 ] - [ -0.0005843600000000, -0.0007886600000000, -0.0000094500000000 ] - [ 0.0015394600000000, 0.0010413400000000, 0.0000452800000000 ] - [ -0.0001888800000000, -0.0005380100000000, 0.0001391600000000 ] - [ 0.0008037000000000, 0.0004330400000000, -0.0002972000000000 ] - [ -0.0005358200000000, -0.0007962400000000, 0.0000934700000000 ] - [ 0.0004458000000000, -0.0035814800000000, -0.0006619900000000 ] - [ 0.0029100500000000, -0.0000696700000000, 0.0031430700000000 ] - [ -0.0008054600000000, -0.0026701100000000, -0.0023944600000000 ] - [ -0.0004427800000000, -0.0068480000000000, -0.0007291700000000 ] - [ -0.0022294400000000, -0.0000338300000000, 0.0000486100000000 ] - [ -0.0008081900000000, -0.0018291900000000, 0.0001025400000000 ]- atom: 49 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0010050800000000, 0.0074451900000000, 0.0038511400000000 ] - [ 0.0009155000000000, 0.0003843700000000, 0.0003032400000000 ] - [ 0.0000750400000000, 0.0002324200000000, 0.0001930200000000 ] - [ -0.0039260800000000, 0.0004241500000000, -0.0006504500000000 ] - [ 0.0026650700000000, -0.0037381000000000, 0.0042282800000000 ] - [ 0.0008081900000000, -0.0008655200000000, 0.0003280500000000 ] - [ 0.0010258900000000, -0.0019021400000000, -0.0005637900000000 ] - [ 0.0025347200000000, 0.0042991700000000, -0.0028959400000000 ] - [ -0.0010573400000000, -0.0007312800000000, -0.0003241600000000 ] - [ 0.0035999700000000, -0.0028596600000000, -0.0066925400000000 ] - [ 0.0011542800000000, 0.0001062900000000, 0.0001488400000000 ] - [ -0.0009822400000000, -0.0008236400000000, 0.0004014400000000 ] - [ 0.0007786400000000, 0.0004385800000000, -0.0001786500000000 ] - [ 0.0005076100000000, -0.0011021900000000, 0.0002260900000000 ] - [ -0.0001833000000000, -0.0001152300000000, 0.0002042200000000 ] - [ 0.0010053700000000, 0.0001689300000000, 0.0000865700000000 ] - [ -0.0005420600000000, -0.0008319300000000, 0.0001931700000000 ] - [ 0.0005436500000000, -0.0009865400000000, 0.0000367500000000 ] - [ -0.0002542300000000, 0.0000887100000000, 0.0000627900000000 ] - [ -0.0006288900000000, -0.0007510200000000, -0.0000428700000000 ] - [ 0.0002592600000000, 0.0002542500000000, 0.0000928000000000 ] - [ 0.0009315900000000, -0.0017787200000000, 0.0006666900000000 ] - [ 0.0005956300000000, -0.0009685200000000, -0.0000262100000000 ] - [ -0.0060496800000000, 0.0009460900000000, 0.0026542400000000 ] - [ -0.0011719000000000, -0.0014641700000000, -0.0002303900000000 ] - [ -0.0013088700000000, -0.0007326200000000, -0.0000491400000000 ] - [ 0.0026230900000000, -0.0007136200000000, -0.0010395100000000 ] - [ -0.0003953600000000, -0.0020195200000000, 0.0001747600000000 ] - [ 0.0025424600000000, -0.0029456100000000, 0.0000295600000000 ] - [ 0.0166924800000000, 0.0032493700000000, 0.0021157100000000 ] - [ -0.0007798900000000, 0.0012969000000000, -0.0003339500000000 ] - [ 0.0012312700000000, -0.0009747800000000, 0.0004004100000000 ] - [ -0.0002817000000000, -0.0010347800000000, 0.0003997100000000 ] - [ -0.0226148200000000, -0.0157470800000000, 0.0057521500000000 ] - [ 0.0015190200000000, 0.0012805600000000, -0.0000584200000000 ] - [ 0.0138628800000000, -0.0432626000000000, -0.0064930400000000 ] - [ -0.0018943500000000, 0.0047004300000000, 0.0015291500000000 ] - [ 0.0002546000000000, 0.0008165200000000, -0.0000187000000000 ] - [ 0.0026319900000000, 0.0038276600000000, 0.0007214500000000 ] - [ 0.0009452300000000, -0.0033473500000000, -0.0000107700000000 ] - [ 0.0023219600000000, -0.0024489800000000, -0.0004993300000000 ] - [ 0.0006723000000000, -0.0026638400000000, -0.0002302900000000 ] - [ -0.0032507200000000, 0.0005387700000000, 0.0004879300000000 ] - [ 0.0027634400000000, -0.0001988800000000, 0.0003040300000000 ] - [ -0.0018840400000000, 0.0021991900000000, -0.0004079700000000 ] - [ -0.0021264200000000, -0.0017372000000000, 0.0007774300000000 ] - [ -0.0003235700000000, -0.0025877100000000, -0.0013978600000000 ] - [ 0.0037897900000000, -0.0009268800000000, 0.0013451200000000 ] - [ -0.2209295800000000, 0.3893100300000000, -0.0032825700000000 ] - [ -0.0006347200000000, -0.0010721600000000, 0.0002010300000000 ] - [ -0.0035917700000000, -0.0088516900000000, -0.0003156000000000 ] - [ 0.0028459900000000, -0.0026966900000000, 0.0001831800000000 ] - [ 0.0012790100000000, -0.0001133500000000, 0.0002479300000000 ] - [ 0.0016974500000000, 0.0003574000000000, 0.0001571200000000 ] - [ 0.0008112300000000, -0.0054935900000000, -0.0012029500000000 ] - [ 0.0105919700000000, 0.0000839300000000, 0.0021436600000000 ] - [ 0.0011973900000000, 0.0030372200000000, -0.0002242100000000 ] - [ 0.0003594800000000, 0.0021800200000000, 0.0030001100000000 ] - [ 0.0012228300000000, -0.0000182800000000, 0.0001330400000000 ] - [ -0.0051884300000000, -0.0001031000000000, 0.0000794800000000 ] - [ 0.0010129000000000, -0.0006428200000000, -0.0005585800000000 ] - [ -0.0030834400000000, -0.0007277900000000, -0.0004163600000000 ] - [ 0.0021791700000000, -0.0027093500000000, -0.0010491000000000 ] - [ 0.0016358600000000, -0.0034745800000000, -0.0005287200000000 ] - [ -0.0008896900000000, -0.0006717600000000, -0.0005743700000000 ] - [ 0.0041007900000000, -0.0024308200000000, -0.0012741500000000 ] - [ -0.0012108900000000, 0.0021334400000000, 0.0041914800000000 ] - [ -0.0000587100000000, 0.0040190300000000, -0.0096642500000000 ] - [ 0.0002373100000000, -0.0013149800000000, -0.0005618800000000 ] - [ -0.0001922200000000, -0.0018323800000000, -0.0005657700000000 ] - [ -0.0002079400000000, -0.0025381100000000, 0.0000688100000000 ] - [ 0.0006578300000000, 0.0042848800000000, -0.0000606300000000 ] - [ -0.0015273400000000, 0.0006643200000000, 0.0010526800000000 ] - [ -0.0000769900000000, 0.0013722900000000, 0.0000608900000000 ] - [ 0.0015297200000000, 0.0009667700000000, 0.0001370500000000 ] - [ -0.0010326300000000, 0.0003425000000000, 0.0001668200000000 ] - [ -0.0007310700000000, -0.0002105100000000, -0.0000000400000000 ] - [ 0.0181490400000000, -0.0309692600000000, 0.0092827700000000 ] - [ 0.0007903400000000, 0.0004622700000000, -0.0009860800000000 ] - [ 0.0016030000000000, -0.0004205300000000, -0.0013400500000000 ] - [ 0.0032181800000000, 0.0019365200000000, 0.0003686200000000 ] - [ -0.0009760600000000, -0.0001038800000000, 0.0000816800000000 ] - [ 0.0009463900000000, -0.0001421000000000, 0.0000751100000000 ] - [ -0.0024620200000000, 0.0020289900000000, -0.0010570500000000 ] - [ -0.0010884300000000, -0.0020098500000000, -0.0035378300000000 ] - [ -0.0011705900000000, -0.0001928800000000, -0.0001209900000000 ] - [ -0.0086529800000000, 0.0057594500000000, -0.0010957000000000 ] - [ -0.0009902900000000, 0.0013805100000000, 0.0004114900000000 ] - [ -0.0010054300000000, -0.0014452800000000, -0.0004486000000000 ] - [ 0.0000475400000000, 0.0024475400000000, 0.0012981300000000 ] - [ -0.0029813000000000, -0.0025797700000000, 0.0007088200000000 ] - [ -0.0013804600000000, 0.0002923600000000, 0.0001526600000000 ] - [ -0.0009460400000000, 0.0016473500000000, -0.0000215300000000 ] - [ -0.0004520000000000, -0.0004382000000000, -0.0000058500000000 ] - [ -0.0006835500000000, 0.0012592500000000, 0.0007567600000000 ] - [ -0.0008781700000000, -0.0005554800000000, -0.0001850400000000 ] - [ -0.0013097500000000, 0.0014351400000000, -0.0003782600000000 ] - [ 0.0017636200000000, -0.0020869100000000, 0.0010531500000000 ] - [ 0.0003946900000000, 0.0005174900000000, -0.0001079900000000 ] - [ 0.0014686700000000, -0.0022724200000000, -0.0002709700000000 ] - [ -0.0005176100000000, 0.0015454300000000, -0.0000813900000000 ] - [ 0.1368131500000000, -0.1566770700000000, 0.0571823600000000 ] - [ -0.0000227800000000, -0.0013245600000000, 0.0004864400000000 ] - [ -0.0008398900000000, -0.0002539900000000, 0.0000670600000000 ] - [ 0.0002363800000000, -0.0035561700000000, -0.0005241100000000 ] - [ -0.0011865700000000, 0.0005340400000000, 0.0000850700000000 ] - [ 0.0016732500000000, 0.0015319000000000, -0.0004891000000000 ] - [ 0.0013851500000000, -0.0027274800000000, -0.0002760100000000 ] - [ 0.0006215600000000, -0.0010471100000000, 0.0000500300000000 ] - [ 0.0004204100000000, -0.0001701000000000, -0.0001060300000000 ] - [ 0.0046760500000000, 0.0138578200000000, -0.0028175200000000 ] - [ 0.0031282100000000, -0.0051859700000000, -0.0010514800000000 ] - [ 0.0649591700000000, -0.0240100400000000, -0.0168652600000000 ] - [ 0.0014441900000000, 0.0007186900000000, 0.0000183500000000 ] - [ -0.0170074400000000, -0.1497054900000000, -0.0477854000000000 ] - [ -0.0016141200000000, 0.0018844700000000, 0.0002996500000000 ] - [ 0.0000457400000000, -0.0026567300000000, 0.0003783900000000 ] - [ -0.0006342000000000, -0.0003633800000000, -0.0003598300000000 ] - [ 0.0009211100000000, 0.0021604500000000, 0.0005552100000000 ] - [ 0.0046752000000000, 0.0001459600000000, -0.0065474100000000 ] - [ -0.0003314700000000, -0.0007947100000000, -0.0002764000000000 ] - [ 0.0003404600000000, 0.0030644500000000, -0.0001682600000000 ] - [ -0.0047460500000000, 0.0010595200000000, 0.0007807900000000 ] - [ -0.0000124500000000, 0.0016148900000000, -0.0003034400000000 ] - [ 0.0010759300000000, 0.0024515500000000, -0.0008773800000000 ] - [ -0.0006347500000000, 0.0008784600000000, -0.0002517200000000 ] - [ -0.0009910400000000, 0.0016450500000000, -0.0003903400000000 ] - [ -0.0015206400000000, 0.0022041300000000, 0.0001253900000000 ] - [ -0.0011727600000000, 0.0014574300000000, 0.0003346900000000 ] - [ -0.0003008200000000, 0.0011328700000000, -0.0000203500000000 ] - [ 0.0007008700000000, 0.0003800000000000, -0.0001656200000000 ] - [ 0.0001652300000000, 0.0059438000000000, 0.0124137700000000 ] - [ 0.0005629500000000, 0.0004469500000000, 0.0007001600000000 ] - [ -0.0028864000000000, 0.0002605200000000, -0.0001986900000000 ] - [ -0.0005093600000000, 0.0016691200000000, 0.0001904700000000 ] - [ -0.0005063000000000, 0.0002449600000000, -0.0000575200000000 ] - [ 0.0012684300000000, -0.0005357100000000, 0.0006408000000000 ] - [ -0.0001847200000000, 0.0016851800000000, -0.0003334800000000 ] - [ 0.0000888100000000, 0.0009610300000000, 0.0005053000000000 ] - [ -0.0018241500000000, 0.0030315400000000, 0.0004648100000000 ] - [ -0.0005058800000000, 0.0014100100000000, 0.0000028300000000 ] - [ 0.0107557500000000, -0.0002343400000000, 0.0017518700000000 ] - [ -0.0000990000000000, 0.0005797600000000, -0.0000507600000000 ] - [ -0.0016677800000000, 0.0002257100000000, 0.0003001200000000 ] - [ -0.0011732900000000, 0.0006663900000000, 0.0002119700000000 ] - [ -0.0013513300000000, -0.0016595000000000, -0.0000339000000000 ] - [ -0.0007090300000000, 0.0004949000000000, -0.0000791100000000 ] - [ 0.0001489100000000, -0.0018569400000000, -0.0010777900000000 ] - [ -0.0001524600000000, 0.0014010300000000, 0.0002505100000000 ] - [ 0.0014375500000000, 0.0000054800000000, -0.0001946300000000 ] - [ -0.0006663300000000, -0.0000808900000000, -0.0000897600000000 ] - [ -0.0034954300000000, 0.0016263300000000, -0.0001041100000000 ] - [ -0.0039764600000000, -0.0022347200000000, -0.0002009800000000 ] - [ -0.0006113200000000, -0.0002302700000000, -0.0002452400000000 ] - [ 0.0006172800000000, 0.0005939300000000, 0.0000869700000000 ] - [ -0.0005224700000000, 0.0007798300000000, -0.0001122700000000 ] - [ -0.0018461300000000, -0.0007427900000000, 0.0017666000000000 ] - [ 0.0009655200000000, 0.0004898200000000, -0.0003229900000000 ] - [ -0.0019762000000000, -0.0006579700000000, -0.0001708100000000 ] - [ 0.0008996000000000, 0.0002848500000000, -0.0001827800000000 ] - [ -0.0010215900000000, -0.0006898400000000, 0.0000301000000000 ] - [ 0.0005055700000000, -0.0000046000000000, 0.0001591100000000 ] - [ -0.0010703000000000, 0.0045489700000000, 0.0006906000000000 ] - [ -0.0030133800000000, 0.0002013800000000, -0.0015275600000000 ] - [ 0.0007164800000000, 0.0010188800000000, 0.0016713300000000 ] - [ 0.0018490700000000, 0.0059271900000000, 0.0000333100000000 ] - [ 0.0022499900000000, 0.0008347300000000, 0.0002038300000000 ] - [ -0.0000545100000000, 0.0015632700000000, 0.0001533500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0048176300000000, 0.0002407000000000, 0.0061240400000000 ] - [ 0.0003054300000000, -0.0000167300000000, -0.0003771400000000 ] - [ 0.0000895800000000, 0.0000826600000000, 0.0003122400000000 ] - [ 0.0021982900000000, 0.0030073500000000, -0.0012390500000000 ] - [ 0.0020656800000000, -0.0043386800000000, -0.0016848000000000 ] - [ 0.0001408500000000, -0.0000332200000000, 0.0001036200000000 ] - [ -0.0002855100000000, 0.0002392500000000, -0.0003729200000000 ] - [ -0.0043098600000000, 0.0006227600000000, -0.0015662900000000 ] - [ 0.0001252200000000, 0.0000866600000000, 0.0005324100000000 ] - [ -0.0031569500000000, 0.0044239600000000, 0.0066116200000000 ] - [ 0.0001878700000000, 0.0001100700000000, 0.0001299100000000 ] - [ -0.0000757600000000, -0.0003885000000000, -0.0004301900000000 ] - [ -0.0000604700000000, 0.0000503900000000, 0.0005080500000000 ] - [ -0.0000416200000000, -0.0000574600000000, -0.0000361700000000 ] - [ -0.0001028900000000, -0.0000038700000000, 0.0003209400000000 ] - [ -0.0000729600000000, 0.0001132400000000, 0.0000867800000000 ] - [ -0.0000007500000000, -0.0000501500000000, 0.0001987200000000 ] - [ -0.0000049000000000, 0.0000410500000000, 0.0002287400000000 ] - [ 0.0000206900000000, 0.0001876300000000, -0.0001304900000000 ] - [ 0.0000259700000000, 0.0000860200000000, -0.0000189200000000 ] - [ 0.0001118700000000, -0.0000847100000000, -0.0001182100000000 ] - [ -0.0000008800000000, -0.0001295100000000, 0.0004756300000000 ] - [ -0.0000015100000000, -0.0001667300000000, 0.0001135000000000 ] - [ -0.0022097400000000, -0.0038333800000000, 0.0056237800000000 ] - [ 0.0000937300000000, -0.0004608900000000, -0.0004343500000000 ] - [ -0.0000705500000000, 0.0001545800000000, 0.0001338100000000 ] - [ 0.0012303600000000, -0.0016067500000000, 0.0015573800000000 ] - [ 0.0007550800000000, 0.0006247100000000, -0.0005652200000000 ] - [ -0.0004014600000000, 0.0003722100000000, 0.0005260000000000 ] - [ -0.0050264000000000, 0.0017141600000000, -0.0129174900000000 ] - [ 0.0000534400000000, 0.0005646900000000, 0.0008934600000000 ] - [ 0.0000077700000000, -0.0000160900000000, 0.0003194500000000 ] - [ -0.0000209500000000, 0.0000194300000000, 0.0003389300000000 ] - [ 0.0069740100000000, 0.0040590800000000, -0.0115982000000000 ] - [ 0.0001419500000000, 0.0008555700000000, 0.0001323100000000 ] - [ -0.0008845600000000, -0.0078473200000000, -0.0095059400000000 ] - [ 0.0010007400000000, 0.0007153800000000, 0.0499715700000000 ] - [ -0.0009201700000000, 0.0006099200000000, -0.0002458000000000 ] - [ 0.0005047700000000, 0.0000480300000000, 0.0005373600000000 ] - [ 0.0002066800000000, -0.0003747900000000, -0.0001910400000000 ] - [ 0.0002746500000000, -0.0000932500000000, -0.0003131000000000 ] - [ -0.0006357700000000, -0.0003208700000000, -0.0000912400000000 ] - [ -0.0001119600000000, -0.0005420800000000, 0.0005418500000000 ] - [ 0.0005973400000000, 0.0003767700000000, -0.0003271900000000 ] - [ -0.0011939400000000, -0.0000212900000000, 0.0010634500000000 ] - [ 0.0007136700000000, 0.0018608600000000, 0.0007670400000000 ] - [ 0.0004281900000000, -0.0017066500000000, 0.0021290600000000 ] - [ -0.0010146800000000, -0.0001213300000000, 0.0017320500000000 ] - [ -0.0060483100000000, 0.0051742800000000, -0.4976695800000000 ] - [ 0.0008467000000000, 0.0001500600000000, 0.0004915600000000 ] - [ -0.0005737500000000, -0.0020064500000000, -0.0004906200000000 ] - [ 0.0003063200000000, -0.0004895300000000, 0.0000588100000000 ] - [ 0.0006761000000000, -0.0001673200000000, 0.0000630700000000 ] - [ -0.0000399200000000, -0.0003163700000000, 0.0002647800000000 ] - [ -0.0020246900000000, 0.0028687800000000, 0.0014385300000000 ] - [ 0.0026906700000000, -0.0000266200000000, 0.0004317300000000 ] - [ -0.0006332000000000, 0.0006274700000000, 0.0002972800000000 ] - [ 0.0095558500000000, 0.0027445300000000, 0.0022390400000000 ] - [ -0.0001477900000000, -0.0002299200000000, 0.0000170000000000 ] - [ 0.0021317900000000, 0.0000277900000000, 0.0005588600000000 ] - [ -0.0005344900000000, 0.0001561500000000, -0.0007021900000000 ] - [ -0.0000266100000000, -0.0000297500000000, 0.0003066400000000 ] - [ 0.0006800800000000, -0.0006600200000000, 0.0003057200000000 ] - [ -0.0002501500000000, -0.0002752500000000, -0.0004881900000000 ] - [ -0.0000297600000000, -0.0006117700000000, -0.0007408500000000 ] - [ -0.0015447000000000, 0.0013625800000000, 0.0010179300000000 ] - [ -0.0056577600000000, -0.0090730800000000, 0.0011328800000000 ] - [ -0.0050643400000000, 0.0095185900000000, 0.0014094500000000 ] - [ 0.0003907000000000, 0.0003872900000000, -0.0007010700000000 ] - [ 0.0002193500000000, -0.0000286900000000, -0.0009182900000000 ] - [ -0.0010056900000000, 0.0000727500000000, 0.0002283700000000 ] - [ -0.0008291000000000, -0.0018525200000000, 0.0006581900000000 ] - [ 0.0009506400000000, 0.0000044400000000, -0.0009372700000000 ] - [ 0.0003549700000000, 0.0000902000000000, 0.0001738200000000 ] - [ 0.0003119400000000, -0.0000456700000000, 0.0000244700000000 ] - [ -0.0003381000000000, 0.0002398200000000, 0.0000619100000000 ] - [ 0.0001740100000000, -0.0001355500000000, -0.0000096600000000 ] - [ 0.0061071400000000, -0.0084794300000000, 0.2895967800000000 ] - [ -0.0003324800000000, 0.0035080500000000, -0.0012091600000000 ] - [ 0.0016285500000000, 0.0013030600000000, -0.0010256700000000 ] - [ 0.0000250600000000, 0.0005918700000000, 0.0002159500000000 ] - [ -0.0002907600000000, 0.0001737600000000, -0.0000605600000000 ] - [ 0.0003330200000000, -0.0003852500000000, -0.0000491600000000 ] - [ -0.0002531500000000, 0.0001194500000000, -0.0005543100000000 ] - [ -0.0044363000000000, -0.0012072000000000, 0.0055806900000000 ] - [ 0.0002124100000000, 0.0004528800000000, -0.0000580100000000 ] - [ -0.0021626900000000, 0.0027027800000000, 0.0003857600000000 ] - [ 0.0000269900000000, 0.0000680700000000, -0.0006806300000000 ] - [ -0.0002349100000000, -0.0001740800000000, -0.0006789000000000 ] - [ -0.0000334300000000, -0.0004552600000000, -0.0017147800000000 ] - [ 0.0036758900000000, 0.0014677900000000, 0.0001681700000000 ] - [ 0.0002114400000000, -0.0002637300000000, 0.0000627500000000 ] - [ 0.0003751600000000, -0.0004240500000000, -0.0000329600000000 ] - [ -0.0003986800000000, -0.0001507400000000, -0.0000656200000000 ] - [ 0.0000969300000000, 0.0000209600000000, 0.0006539200000000 ] - [ -0.0001272900000000, -0.0001105600000000, -0.0000485500000000 ] - [ -0.0001873300000000, 0.0001864000000000, -0.0001824500000000 ] - [ -0.0085573000000000, 0.0005396100000000, -0.0104367500000000 ] - [ -0.0008428300000000, -0.0004443600000000, -0.0003102400000000 ] - [ 0.0002321600000000, 0.0006134400000000, 0.0003243700000000 ] - [ -0.0000917300000000, 0.0004528800000000, -0.0000031300000000 ] - [ 0.0413118200000000, -0.0405568200000000, 0.0587852200000000 ] - [ 0.0000549900000000, -0.0001911400000000, -0.0008484900000000 ] - [ -0.0003431200000000, -0.0001927800000000, 0.0002865600000000 ] - [ 0.0053065200000000, 0.0061259300000000, -0.0107680200000000 ] - [ 0.0002813300000000, -0.0002694800000000, 0.0001794300000000 ] - [ -0.0005113700000000, 0.0002016900000000, -0.0000199600000000 ] - [ -0.0008314600000000, -0.0000882000000000, 0.0002592900000000 ] - [ -0.0006236600000000, -0.0006207600000000, -0.0002454000000000 ] - [ 0.0001610500000000, 0.0001517800000000, -0.0001790000000000 ] - [ 0.0007435400000000, 0.0044709000000000, -0.0000352300000000 ] - [ 0.0028165200000000, -0.0081201200000000, -0.0101904400000000 ] - [ -0.0592724600000000, -0.0164100000000000, 0.0639151900000000 ] - [ 0.0003458100000000, 0.0001329700000000, 0.0000319000000000 ] - [ 0.0168626200000000, 0.0607599800000000, 0.0638507500000000 ] - [ -0.0004674000000000, 0.0000278600000000, 0.0000401500000000 ] - [ 0.0005504800000000, -0.0005524800000000, -0.0004690900000000 ] - [ -0.0023208700000000, 0.0010291600000000, -0.0005651600000000 ] - [ 0.0003453500000000, 0.0010518200000000, -0.0002223900000000 ] - [ 0.0020386800000000, 0.0045554200000000, 0.0063938400000000 ] - [ 0.0007009100000000, 0.0003311500000000, 0.0001058200000000 ] - [ 0.0001100800000000, -0.0007877400000000, -0.0000983800000000 ] - [ 0.0028001700000000, -0.0025404700000000, 0.0019203100000000 ] - [ 0.0008081300000000, 0.0003072600000000, -0.0004083900000000 ] - [ -0.0000323800000000, 0.0002657300000000, -0.0001763900000000 ] - [ 0.0000586500000000, 0.0003841700000000, -0.0006436700000000 ] - [ -0.0002600400000000, -0.0003753100000000, 0.0000438400000000 ] - [ 0.0001613600000000, -0.0004892800000000, -0.0000266200000000 ] - [ -0.0005851700000000, 0.0007408500000000, -0.0003015600000000 ] - [ 0.0004404400000000, 0.0001778100000000, 0.0000778200000000 ] - [ 0.0001266800000000, -0.0001210100000000, -0.0003788700000000 ] - [ 0.0031424300000000, -0.0031248800000000, 0.0052116300000000 ] - [ 0.0000392700000000, 0.0000869400000000, 0.0010093000000000 ] - [ 0.0004907900000000, -0.0001468000000000, -0.0000727400000000 ] - [ 0.0000952100000000, 0.0000382200000000, 0.0000426000000000 ] - [ 0.0000817800000000, -0.0001552200000000, 0.0000690900000000 ] - [ -0.0004936000000000, -0.0002373500000000, -0.0012637800000000 ] - [ 0.0000572400000000, -0.0005048400000000, 0.0000028600000000 ] - [ -0.0001029400000000, 0.0000042700000000, 0.0011007100000000 ] - [ 0.0007014300000000, -0.0002981400000000, 0.0005066100000000 ] - [ -0.0001382400000000, 0.0001114300000000, -0.0000245900000000 ] - [ -0.0045351700000000, -0.0018592100000000, 0.0002053800000000 ] - [ -0.0001732100000000, 0.0000056600000000, 0.0000554400000000 ] - [ -0.0004361000000000, 0.0002033100000000, -0.0003111900000000 ] - [ -0.0000139800000000, -0.0001677000000000, 0.0000633000000000 ] - [ 0.0008537800000000, -0.0001875200000000, -0.0002722600000000 ] - [ -0.0000092100000000, 0.0003652400000000, 0.0002957500000000 ] - [ -0.0015694600000000, -0.0019161800000000, -0.0017430200000000 ] - [ -0.0002602500000000, -0.0000600500000000, 0.0000359600000000 ] - [ 0.0002215900000000, 0.0001690100000000, -0.0006785500000000 ] - [ -0.0003422700000000, -0.0001708500000000, -0.0000705700000000 ] - [ -0.0006517200000000, -0.0000076300000000, -0.0002762200000000 ] - [ -0.0004957200000000, -0.0000791400000000, 0.0003680500000000 ] - [ -0.0000240000000000, -0.0001581700000000, -0.0001907500000000 ] - [ -0.0000774900000000, 0.0000439700000000, -0.0000061700000000 ] - [ 0.0000020100000000, 0.0003043400000000, -0.0000601400000000 ] - [ 0.0028960400000000, -0.0012186800000000, -0.0009233100000000 ] - [ 0.0001884500000000, -0.0000842000000000, -0.0001291400000000 ] - [ -0.0003831200000000, 0.0001713300000000, -0.0000709900000000 ] - [ 0.0004152700000000, -0.0000714100000000, -0.0000409900000000 ] - [ -0.0000921800000000, -0.0001615100000000, -0.0000726800000000 ] - [ -0.0001001900000000, -0.0004305000000000, 0.0001575100000000 ] - [ -0.0005389900000000, 0.0012070700000000, 0.0003405700000000 ] - [ -0.0004689500000000, 0.0004185300000000, -0.0005829200000000 ] - [ 0.0000851100000000, -0.0033332700000000, -0.0012299500000000 ] - [ -0.0002825900000000, -0.0046117400000000, 0.0002464000000000 ] - [ -0.0004161000000000, -0.0001135000000000, -0.0004151600000000 ] - [ -0.0004260200000000, -0.0000651500000000, 0.0001611100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0049389500000000, -0.0002120200000000, -0.0059146400000000 ] - [ -0.0003049400000000, 0.0000158400000000, 0.0004943800000000 ] - [ 0.0000266700000000, 0.0000703800000000, 0.0001465000000000 ] - [ -0.0023078000000000, -0.0031528400000000, 0.0016844300000000 ] - [ -0.0023579000000000, 0.0041301800000000, 0.0017039800000000 ] - [ 0.0000507400000000, 0.0000109000000000, 0.0003543400000000 ] - [ 0.0002840300000000, -0.0002370800000000, 0.0004821400000000 ] - [ 0.0043514100000000, -0.0006527300000000, 0.0017785300000000 ] - [ -0.0001248400000000, -0.0000879100000000, -0.0004188500000000 ] - [ 0.0032712700000000, -0.0046613500000000, -0.0061720900000000 ] - [ 0.0001105100000000, 0.0000871300000000, -0.0000952100000000 ] - [ 0.0000774100000000, 0.0003878100000000, 0.0004855100000000 ] - [ 0.0000615800000000, -0.0000492200000000, -0.0003849800000000 ] - [ -0.0000127100000000, 0.0000281800000000, 0.0002606000000000 ] - [ -0.0000882300000000, 0.0000265600000000, 0.0001382300000000 ] - [ -0.0000025400000000, 0.0000626100000000, 0.0003717400000000 ] - [ 0.0000004200000000, -0.0000111200000000, 0.0000264600000000 ] - [ 0.0000586400000000, -0.0000109600000000, -0.0000030100000000 ] - [ -0.0000448400000000, 0.0001705200000000, 0.0001640900000000 ] - [ -0.0000249800000000, -0.0000236400000000, 0.0002434200000000 ] - [ 0.0002105200000000, -0.0000755500000000, 0.0001531800000000 ] - [ -0.0000004600000000, 0.0001283800000000, -0.0004147100000000 ] - [ 0.0000256400000000, -0.0001912600000000, -0.0000784000000000 ] - [ 0.0019160300000000, 0.0040430800000000, -0.0055971100000000 ] - [ -0.0002416100000000, -0.0008202700000000, -0.0000673200000000 ] - [ -0.0002000200000000, 0.0001926400000000, -0.0001815300000000 ] - [ 0.0000671700000000, 0.0004877600000000, -0.0016645300000000 ] - [ 0.0004239800000000, -0.0000990300000000, 0.0000650200000000 ] - [ 0.0003786000000000, -0.0003295400000000, 0.0002810800000000 ] - [ 0.0046876600000000, -0.0033910700000000, 0.0127818200000000 ] - [ -0.0016554200000000, -0.0011135500000000, -0.0009943200000000 ] - [ 0.0000124200000000, -0.0000242100000000, 0.0004838400000000 ] - [ -0.0000258300000000, -0.0000122900000000, 0.0004654400000000 ] - [ -0.0080054500000000, -0.0032758300000000, 0.0110879200000000 ] - [ 0.0001833700000000, 0.0008080100000000, -0.0002401900000000 ] - [ 0.0004668300000000, 0.0077624300000000, 0.0094543000000000 ] - [ -0.0009733300000000, -0.0007002500000000, -0.0488404900000000 ] - [ -0.0003749100000000, 0.0005031500000000, 0.0001348300000000 ] - [ -0.0005178600000000, -0.0000896700000000, 0.0002665900000000 ] - [ 0.0000649200000000, 0.0000285000000000, 0.0001420900000000 ] - [ -0.0001075700000000, 0.0005073300000000, 0.0002730400000000 ] - [ -0.0005429600000000, -0.0002019100000000, -0.0004070200000000 ] - [ 0.0001603900000000, 0.0005333900000000, 0.0002666300000000 ] - [ 0.0010114400000000, 0.0001789900000000, 0.0002214200000000 ] - [ 0.0016130600000000, 0.0000924900000000, -0.0011042900000000 ] - [ -0.0005622200000000, -0.0005706000000000, -0.0012652000000000 ] - [ -0.0005927700000000, 0.0012843900000000, -0.0021646600000000 ] - [ 0.0020516100000000, -0.0006449100000000, -0.0022267300000000 ] - [ 0.0054886300000000, -0.0050189600000000, 0.4755082900000000 ] - [ 0.0008111000000000, 0.0002182000000000, 0.0001847200000000 ] - [ 0.0003676300000000, 0.0026315000000000, -0.0007820300000000 ] - [ 0.0008496600000000, -0.0007517000000000, 0.0006095900000000 ] - [ -0.0000020000000000, -0.0003737600000000, 0.0002985000000000 ] - [ -0.0001017900000000, -0.0005126900000000, 0.0000886300000000 ] - [ 0.0008580500000000, -0.0016139000000000, -0.0007515800000000 ] - [ -0.0019677500000000, -0.0001025300000000, -0.0016821800000000 ] - [ 0.0003646100000000, 0.0004070100000000, -0.0014334600000000 ] - [ -0.0093804700000000, -0.0019103400000000, -0.0018809600000000 ] - [ -0.0006203900000000, -0.0000763400000000, 0.0003324600000000 ] - [ -0.0026309500000000, -0.0016417200000000, 0.0001156100000000 ] - [ -0.0005189500000000, 0.0001290200000000, -0.0004381600000000 ] - [ -0.0007168200000000, -0.0007327200000000, -0.0014429200000000 ] - [ 0.0003728300000000, 0.0003733700000000, -0.0014435500000000 ] - [ -0.0001738400000000, -0.0002831900000000, -0.0007814100000000 ] - [ 0.0002345000000000, -0.0000195200000000, -0.0005347700000000 ] - [ 0.0008667600000000, -0.0008133400000000, -0.0006401700000000 ] - [ 0.0049431700000000, 0.0091653600000000, -0.0024012400000000 ] - [ 0.0055357300000000, -0.0078738000000000, -0.0007404700000000 ] - [ 0.0003560800000000, 0.0003789400000000, -0.0004370200000000 ] - [ 0.0002045800000000, 0.0005870000000000, -0.0003545700000000 ] - [ -0.0006522800000000, -0.0004379700000000, 0.0004458800000000 ] - [ 0.0015928300000000, 0.0021457800000000, -0.0003014200000000 ] - [ -0.0003409300000000, 0.0002994300000000, 0.0011054100000000 ] - [ 0.0003666300000000, 0.0002628100000000, 0.0000835300000000 ] - [ 0.0005498000000000, 0.0003068600000000, 0.0002346600000000 ] - [ -0.0004482200000000, 0.0002097800000000, 0.0000101500000000 ] - [ -0.0000140000000000, -0.0000198500000000, -0.0000340700000000 ] - [ -0.0054117800000000, 0.0079475900000000, -0.2704393600000000 ] - [ 0.0003911100000000, -0.0030090300000000, 0.0008738100000000 ] - [ -0.0027162600000000, -0.0013430700000000, 0.0010265600000000 ] - [ -0.0007422300000000, -0.0003372500000000, -0.0002616700000000 ] - [ -0.0002795900000000, 0.0002071000000000, 0.0002327900000000 ] - [ 0.0002901200000000, -0.0005899600000000, 0.0000746100000000 ] - [ -0.0011375200000000, 0.0007778900000000, -0.0001554000000000 ] - [ 0.0049900400000000, 0.0008277100000000, -0.0053805200000000 ] - [ -0.0002307900000000, 0.0004555800000000, 0.0001298100000000 ] - [ 0.0032328400000000, -0.0026289700000000, -0.0003798400000000 ] - [ -0.0001817300000000, 0.0002365700000000, 0.0005557300000000 ] - [ 0.0000494000000000, -0.0001074000000000, 0.0005544800000000 ] - [ 0.0001216800000000, 0.0008341700000000, 0.0012738600000000 ] - [ -0.0035865300000000, -0.0012452300000000, -0.0002136500000000 ] - [ 0.0000151600000000, -0.0002370000000000, 0.0000335700000000 ] - [ 0.0001690500000000, 0.0006085300000000, -0.0000996100000000 ] - [ 0.0006120800000000, 0.0002025900000000, 0.0000207600000000 ] - [ 0.0000563300000000, 0.0000008300000000, 0.0009602400000000 ] - [ 0.0000705400000000, -0.0001027800000000, 0.0000064100000000 ] - [ -0.0001973400000000, 0.0001064500000000, -0.0001485600000000 ] - [ 0.0089884300000000, -0.0009285300000000, 0.0103358700000000 ] - [ -0.0006296800000000, -0.0003080200000000, -0.0003975600000000 ] - [ -0.0003412900000000, -0.0011728200000000, -0.0004600200000000 ] - [ -0.0000262100000000, 0.0002701300000000, -0.0000317400000000 ] - [ -0.0414564000000000, 0.0417187300000000, -0.0579789400000000 ] - [ -0.0000988500000000, -0.0004917300000000, 0.0010145800000000 ] - [ -0.0002705500000000, -0.0001109500000000, -0.0001085300000000 ] - [ -0.0058808600000000, -0.0066019100000000, 0.0107596100000000 ] - [ 0.0003765200000000, -0.0003447200000000, 0.0000776900000000 ] - [ 0.0005969500000000, 0.0014473700000000, -0.0006877500000000 ] - [ 0.0005163300000000, -0.0003687000000000, -0.0001658000000000 ] - [ -0.0001684500000000, 0.0001646700000000, 0.0003209200000000 ] - [ -0.0006127000000000, -0.0003446500000000, -0.0001575400000000 ] - [ -0.0002851400000000, -0.0042587800000000, -0.0003112600000000 ] - [ -0.0024905200000000, 0.0085674600000000, 0.0103045400000000 ] - [ 0.0601487300000000, 0.0157510400000000, -0.0634364900000000 ] - [ 0.0002058300000000, -0.0001801500000000, 0.0000621600000000 ] - [ -0.0177427900000000, -0.0611960700000000, -0.0631682200000000 ] - [ -0.0002528900000000, -0.0003804500000000, 0.0002154000000000 ] - [ -0.0007544000000000, -0.0003223000000000, 0.0007295100000000 ] - [ 0.0021536800000000, -0.0008687000000000, 0.0005203600000000 ] - [ 0.0001832300000000, -0.0000654900000000, 0.0002299200000000 ] - [ -0.0019352500000000, -0.0046622100000000, -0.0047434900000000 ] - [ -0.0003545100000000, -0.0003974500000000, -0.0003700100000000 ] - [ -0.0001807900000000, 0.0006735600000000, 0.0001120000000000 ] - [ -0.0028673600000000, 0.0028189100000000, -0.0022023400000000 ] - [ 0.0006627500000000, 0.0004434800000000, -0.0002995900000000 ] - [ -0.0000270500000000, -0.0004108200000000, 0.0017843500000000 ] - [ 0.0007292100000000, -0.0008306700000000, 0.0007168800000000 ] - [ -0.0002669300000000, -0.0006094500000000, -0.0000362500000000 ] - [ -0.0000408100000000, -0.0002349400000000, -0.0000092500000000 ] - [ -0.0000737200000000, -0.0001267200000000, 0.0005586300000000 ] - [ 0.0003498800000000, 0.0002766100000000, -0.0000024700000000 ] - [ 0.0001593900000000, -0.0001423700000000, -0.0000561800000000 ] - [ -0.0027576200000000, 0.0032294200000000, -0.0056119200000000 ] - [ 0.0000198000000000, 0.0000575300000000, 0.0006035100000000 ] - [ -0.0007052300000000, 0.0000919300000000, 0.0000262500000000 ] - [ -0.0000233400000000, 0.0000722500000000, -0.0000267400000000 ] - [ 0.0000730600000000, -0.0001488400000000, -0.0001920400000000 ] - [ 0.0001247500000000, 0.0001219800000000, 0.0008278900000000 ] - [ 0.0000135300000000, 0.0003745500000000, 0.0000137100000000 ] - [ -0.0000493900000000, -0.0000266200000000, 0.0005155800000000 ] - [ -0.0009235800000000, 0.0007941700000000, -0.0004138200000000 ] - [ -0.0001480700000000, 0.0001506400000000, -0.0004089000000000 ] - [ 0.0046474100000000, 0.0018474200000000, -0.0001988900000000 ] - [ -0.0001663500000000, 0.0000111200000000, -0.0001807200000000 ] - [ 0.0000908900000000, -0.0001336200000000, 0.0000460400000000 ] - [ -0.0000724100000000, -0.0002074800000000, -0.0004952500000000 ] - [ -0.0001852500000000, -0.0002451900000000, 0.0005246600000000 ] - [ 0.0000526600000000, 0.0003186800000000, -0.0001214600000000 ] - [ 0.0017746300000000, 0.0021606300000000, 0.0014725200000000 ] - [ -0.0002912000000000, 0.0001057200000000, 0.0000577300000000 ] - [ 0.0001163300000000, -0.0001877900000000, 0.0005506800000000 ] - [ -0.0002007400000000, -0.0000163700000000, -0.0000586000000000 ] - [ 0.0005865900000000, -0.0004797500000000, -0.0000628000000000 ] - [ 0.0010607500000000, 0.0005699500000000, -0.0004131600000000 ] - [ 0.0001145700000000, -0.0001369700000000, -0.0000918700000000 ] - [ 0.0000068700000000, 0.0000835300000000, 0.0000228200000000 ] - [ 0.0001082000000000, 0.0002615000000000, -0.0000739400000000 ] - [ -0.0030159900000000, 0.0012229900000000, 0.0009410900000000 ] - [ 0.0001942800000000, -0.0002108800000000, -0.0002023000000000 ] - [ -0.0000550200000000, 0.0002110100000000, -0.0000567200000000 ] - [ 0.0003024500000000, -0.0001798900000000, -0.0000050100000000 ] - [ -0.0001237300000000, -0.0000878400000000, -0.0001971600000000 ] - [ 0.0000728100000000, -0.0003694000000000, 0.0000969100000000 ] - [ -0.0000860300000000, -0.0002304700000000, -0.0003133000000000 ] - [ 0.0003695900000000, -0.0002937100000000, 0.0021949000000000 ] - [ -0.0001725000000000, 0.0016717700000000, 0.0005186500000000 ] - [ 0.0016616100000000, 0.0036734300000000, -0.0009522200000000 ] - [ 0.0004399600000000, 0.0009095900000000, 0.0006698300000000 ] - [ -0.0004350200000000, -0.0001971800000000, 0.0000973200000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0002229200000000, 0.0002932300000000, 0.0001815200000000 ] - [ -0.0000105200000000, -0.0002679300000000, 0.0000050400000000 ] - [ 0.0003974400000000, -0.0015138600000000, 0.0008117800000000 ] - [ -0.0000244000000000, 0.0009167600000000, -0.0001818300000000 ] - [ 0.0004381000000000, 0.0007243500000000, 0.0001606700000000 ] - [ 0.0012544700000000, -0.0000714700000000, 0.0001780100000000 ] - [ 0.0010048900000000, 0.0002391400000000, -0.0000093100000000 ] - [ -0.0001826700000000, 0.0001544400000000, 0.0000361100000000 ] - [ -0.0037644400000000, 0.0068027100000000, -0.0034109900000000 ] - [ 0.0005041800000000, 0.0008201900000000, 0.0001260400000000 ] - [ 0.0005670800000000, -0.0007949100000000, -0.0001538100000000 ] - [ -0.0031664100000000, 0.0043416900000000, 0.0027803600000000 ] - [ -0.0000104700000000, -0.0001401100000000, 0.0001042300000000 ] - [ 0.0020125800000000, -0.0000529300000000, 0.0005140200000000 ] - [ -0.0006971700000000, -0.0065002700000000, -0.0023649500000000 ] - [ 0.0002836500000000, -0.0006917900000000, 0.0002880900000000 ] - [ 0.0062736200000000, 0.0003478500000000, 0.0053411400000000 ] - [ 0.0022173100000000, -0.0002223100000000, -0.0006415500000000 ] - [ -0.0032710600000000, -0.0028384600000000, 0.0003499300000000 ] - [ 0.0026400600000000, 0.0014633900000000, -0.0041664300000000 ] - [ 0.0002070900000000, -0.0012085500000000, -0.0003171900000000 ] - [ 0.0010583000000000, 0.0001488200000000, 0.0000932200000000 ] - [ 0.0012229300000000, -0.0003549700000000, 0.0001833600000000 ] - [ -0.0000841900000000, 0.0010157500000000, 0.0002391800000000 ] - [ 0.0048343100000000, -0.0270125300000000, -0.0159268900000000 ] - [ -0.0090309300000000, 0.0028511500000000, -0.0047977400000000 ] - [ 0.0020512400000000, 0.0000378400000000, -0.0000525200000000 ] - [ 0.0397609400000000, -0.0014235700000000, 0.0105782500000000 ] - [ 0.0032000400000000, 0.0004279100000000, 0.0002120500000000 ] - [ 0.0000689500000000, 0.0001493100000000, -0.0001245100000000 ] - [ -0.0022888400000000, 0.0004258000000000, 0.0002622500000000 ] - [ 0.0010190600000000, -0.0032223200000000, 0.0014096500000000 ] - [ 0.0019682500000000, -0.0012557800000000, -0.0004205000000000 ] - [ -0.0027710900000000, 0.0044423900000000, -0.0005892900000000 ] - [ 0.0003400300000000, -0.0006304800000000, 0.0000374200000000 ] - [ 0.0011266200000000, 0.0015425500000000, -0.0004671800000000 ] - [ 0.0003109600000000, 0.0014250900000000, 0.0003978300000000 ] - [ -0.0028696900000000, -0.0019955700000000, 0.0002478200000000 ] - [ 0.0001057300000000, -0.0013230900000000, 0.0005352500000000 ] - [ 0.0039956200000000, 0.0005243900000000, -0.0002713000000000 ] - [ 0.0031884000000000, -0.0007454500000000, 0.0001660400000000 ] - [ 0.0020844700000000, -0.0003845600000000, -0.0002842700000000 ] - [ 0.0078540300000000, 0.0189744400000000, 0.0017590900000000 ] - [ 0.0022027900000000, -0.0017793400000000, -0.0003227500000000 ] - [ -0.0030597100000000, -0.0004896700000000, 0.0004026000000000 ] - [ 0.0011585100000000, 0.0023395800000000, 0.0008373800000000 ] - [ 0.0019579900000000, 0.0023926800000000, -0.0010588500000000 ] - [ 0.0013119200000000, -0.0010345700000000, -0.0002693900000000 ] - [ 0.0004724400000000, 0.0013710800000000, -0.0005546600000000 ] - [ -0.4664344300000000, -0.0058841400000000, -0.0043485800000000 ] - [ 0.0049368200000000, 0.0027049100000000, 0.0002630500000000 ] - [ 0.0029370000000000, -0.0011362000000000, 0.0005549200000000 ] - [ -0.0006888600000000, -0.0029419400000000, 0.0002643800000000 ] - [ 0.0002234600000000, -0.0022687500000000, 0.0002694900000000 ] - [ 0.0034556900000000, 0.0092060500000000, -0.0005582700000000 ] - [ 0.0017784100000000, -0.0008295800000000, -0.0004254700000000 ] - [ -0.0003499700000000, -0.0003340900000000, -0.0003963600000000 ] - [ 0.0004096600000000, 0.0012520000000000, 0.0000562700000000 ] - [ 0.0011500300000000, -0.0016145800000000, -0.0001100000000000 ] - [ -0.0033422600000000, -0.0052659500000000, 0.0026560100000000 ] - [ 0.0054908400000000, -0.0082605500000000, 0.0021020600000000 ] - [ -0.0037053400000000, -0.0014914700000000, 0.0042987400000000 ] - [ 0.0034475600000000, 0.0005171200000000, -0.0008238000000000 ] - [ 0.0033458700000000, -0.0002701900000000, -0.0007647300000000 ] - [ -0.0051610700000000, -0.0016057100000000, -0.0059160600000000 ] - [ 0.0010627400000000, 0.0011514600000000, 0.0002815300000000 ] - [ -0.0014664700000000, 0.0024757700000000, -0.0001654600000000 ] - [ 0.0009454100000000, 0.0022822300000000, 0.0002866200000000 ] - [ 0.0067855300000000, -0.0011592300000000, -0.0024864100000000 ] - [ -0.0006476400000000, -0.0012684800000000, 0.0058459600000000 ] - [ 0.0021234600000000, 0.0002473900000000, -0.0000320700000000 ] - [ -0.0034783300000000, 0.0027456700000000, 0.0008609700000000 ] - [ -0.0003111500000000, -0.0001709200000000, 0.0000193500000000 ] - [ -0.0093400200000000, 0.0104385800000000, -0.0006852300000000 ] - [ 0.0058894900000000, 0.0022109100000000, 0.0026114600000000 ] - [ -0.0001534800000000, 0.0044058300000000, -0.0000778700000000 ] - [ 0.0000319000000000, 0.0012874200000000, 0.0001810100000000 ] - [ -0.0000391400000000, -0.0005851500000000, -0.0000525300000000 ] - [ 0.0004629900000000, -0.0017756700000000, 0.0001254500000000 ] - [ 0.0013054500000000, -0.0012270800000000, -0.0002275200000000 ] - [ -0.0039947300000000, -0.0033440600000000, -0.0001186100000000 ] - [ -0.0004453500000000, 0.0010146000000000, 0.0000572500000000 ] - [ 0.0064900900000000, -0.0045025000000000, 0.0023434700000000 ] - [ -0.0018910200000000, 0.0011148800000000, -0.0007244000000000 ] - [ 0.0002451600000000, -0.0006811400000000, 0.0002285900000000 ] - [ 0.0000280300000000, 0.0011042700000000, 0.0000929200000000 ] - [ -0.0006046000000000, -0.0001682400000000, -0.0001484400000000 ] - [ -0.0014051000000000, -0.0001067700000000, 0.0001828400000000 ] - [ -0.0000889800000000, 0.0003589300000000, -0.0002469100000000 ] - [ -0.0009759500000000, -0.0019694500000000, 0.0012543000000000 ] - [ 0.0004823600000000, -0.0007495800000000, -0.0000082600000000 ] - [ -0.0015812200000000, 0.0005253000000000, -0.0000466600000000 ] - [ -0.0011031100000000, -0.0006851800000000, -0.0001551300000000 ] - [ 0.0012582900000000, 0.0004782700000000, -0.0002662900000000 ] - [ -0.0014639600000000, 0.0000259900000000, 0.0007825800000000 ] - [ -0.0001228100000000, 0.0008462000000000, 0.0001361600000000 ] - [ -0.0032090900000000, -0.0001122700000000, -0.0006105300000000 ] - [ -0.0001395500000000, -0.0008205600000000, 0.0000578300000000 ] - [ 0.1736873500000000, 0.0586777700000000, 0.0833006700000000 ] - [ 0.0007673300000000, -0.0047991800000000, -0.0000877900000000 ] - [ -0.0011437400000000, 0.0025179400000000, -0.0008669100000000 ] - [ 0.0001463600000000, -0.0007413100000000, 0.0001884700000000 ] - [ 0.0015234900000000, -0.0004563000000000, -0.0006445400000000 ] - [ 0.0002131900000000, 0.0009452600000000, -0.0000031700000000 ] - [ -0.0004080800000000, -0.0015566200000000, -0.0001888600000000 ] - [ -0.0039150600000000, 0.0013111100000000, -0.0001586300000000 ] - [ 0.0063082100000000, 0.0101786300000000, 0.0008199300000000 ] - [ -0.0000008700000000, 0.0015610400000000, -0.0002487900000000 ] - [ 0.0015551400000000, -0.0008601700000000, -0.0008583500000000 ] - [ 0.0019656000000000, 0.0018956800000000, 0.0011962800000000 ] - [ -0.0014293800000000, -0.0021796600000000, 0.0000273600000000 ] - [ 0.0001312500000000, -0.0007660100000000, 0.0000094400000000 ] - [ -0.0003430700000000, -0.0012110500000000, 0.0001020600000000 ] - [ 0.0564232200000000, 0.0479317400000000, -0.0204668200000000 ] - [ -0.0005042200000000, -0.0016701800000000, 0.0001042300000000 ] - [ -0.0018941200000000, 0.0001455900000000, 0.0002546500000000 ] - [ 0.0003942800000000, 0.0000262600000000, 0.0000417100000000 ] - [ -0.0002833900000000, -0.0002550900000000, 0.0000378200000000 ] - [ -0.0003504000000000, -0.0012838200000000, -0.0006822900000000 ] - [ 0.0007161700000000, -0.0014012500000000, 0.0007486600000000 ] - [ 0.0026618300000000, 0.0001005800000000, 0.0002605500000000 ] - [ -0.0088133300000000, -0.0059825100000000, 0.0016799700000000 ] - [ -0.0004739900000000, -0.0004039400000000, -0.0001086400000000 ] - [ -0.0016138000000000, 0.0001684900000000, 0.0001964700000000 ] - [ -0.0015279100000000, -0.0013976800000000, -0.0001100300000000 ] - [ -0.0007757000000000, -0.0011581700000000, 0.0001092200000000 ] - [ -0.0019270500000000, -0.0007889000000000, 0.0001462400000000 ] - [ -0.0019550800000000, 0.0000856900000000, 0.0002753300000000 ] - [ -0.0026086800000000, -0.0003976100000000, 0.0000455700000000 ] - [ -0.0022273800000000, 0.0022585800000000, -0.0000569300000000 ] - [ 0.0505538200000000, -0.0060274200000000, -0.0474561800000000 ] - [ -0.0002628200000000, -0.0006004100000000, 0.0000038000000000 ] - [ 0.0014631600000000, 0.0039874500000000, 0.0122085900000000 ] - [ -0.0013009100000000, 0.0001779800000000, -0.0002568800000000 ] - [ -0.0013533400000000, 0.0000859200000000, -0.0002431900000000 ] - [ -0.0011372500000000, 0.0022123300000000, -0.0022434200000000 ] - [ 0.0013934200000000, 0.0010027700000000, -0.0012811200000000 ] - [ -0.0015109100000000, -0.0003408500000000, 0.0000488400000000 ] - [ -0.0055735900000000, 0.0002629100000000, -0.0076022100000000 ] - [ -0.0033848200000000, -0.0016308200000000, -0.0002716600000000 ] - [ -0.0015765200000000, -0.0000282600000000, 0.0001137300000000 ] - [ 0.0030815200000000, 0.0002493500000000, 0.0000452200000000 ] - [ -0.0017352100000000, 0.0006186800000000, 0.0016481100000000 ] - [ -0.0013959600000000, 0.0002464600000000, 0.0001015600000000 ] - [ -0.0011587200000000, 0.0002157100000000, -0.0004660100000000 ] - [ 0.0002313500000000, 0.0003848500000000, -0.0000276900000000 ] - [ -0.0006881700000000, 0.0009596400000000, 0.0003201400000000 ] - [ 0.0002715900000000, -0.0004262500000000, -0.0003022000000000 ] - [ -0.0017084400000000, -0.0001753500000000, 0.0000047700000000 ] - [ 0.0008110100000000, -0.0025803400000000, -0.0058326800000000 ] - [ 0.0003333000000000, 0.0022905900000000, 0.0002610000000000 ] - [ -0.0013673400000000, 0.0008477000000000, 0.0000593300000000 ] - [ 0.0002041600000000, 0.0008009300000000, -0.0000063100000000 ] - [ -0.0001168600000000, 0.0012126300000000, -0.0003804700000000 ] - [ 0.1538184200000000, -0.1003481400000000, -0.0110133600000000 ] - [ -0.0010929800000000, 0.0016660100000000, -0.0000218100000000 ] - [ -0.0008143400000000, -0.0002890400000000, 0.0001491500000000 ] - [ 0.0029363100000000, 0.0007191500000000, -0.0018757000000000 ] - [ -0.0003349600000000, 0.0010143500000000, 0.0000053900000000 ] - [ 0.0007266400000000, 0.0009199500000000, -0.0001088800000000 ] - [ -0.0002458100000000, 0.0012123200000000, -0.0003475100000000 ] - [ -0.0067736900000000, 0.0045276500000000, 0.0015851000000000 ] - [ -0.0023455200000000, 0.0002638600000000, 0.0002641400000000 ] - [ -0.0004733800000000, 0.0002358900000000, 0.0008177400000000 ] - [ -0.0008718400000000, -0.0020325100000000, -0.0007827800000000 ] - [ 0.0006752000000000, -0.0052480900000000, -0.0007511600000000 ] - [ 0.0004221800000000, 0.0000187600000000, -0.0005649000000000 ] - [ -0.0037789900000000, -0.0002837100000000, 0.0008666100000000 ]- atom: 50 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0001594500000000, -0.0002652400000000, 0.0000431400000000 ] - [ 0.0000089200000000, 0.0002676400000000, 0.0001103600000000 ] - [ -0.0002734200000000, 0.0016691700000000, -0.0003517100000000 ] - [ -0.0000918300000000, -0.0010746700000000, 0.0006398300000000 ] - [ -0.0007427400000000, -0.0009130500000000, -0.0001255300000000 ] - [ -0.0010575400000000, 0.0000492300000000, 0.0002804800000000 ] - [ -0.0010040100000000, -0.0002389100000000, 0.0001255000000000 ] - [ 0.0002459100000000, -0.0001875000000000, 0.0001884800000000 ] - [ 0.0037317400000000, -0.0067945400000000, 0.0035225600000000 ] - [ -0.0004278000000000, -0.0009996700000000, 0.0003333100000000 ] - [ -0.0002642700000000, 0.0009832700000000, 0.0001869500000000 ] - [ 0.0031629300000000, -0.0043454600000000, -0.0027213700000000 ] - [ 0.0000109900000000, 0.0001417900000000, 0.0000118500000000 ] - [ -0.0020702500000000, 0.0000180300000000, -0.0002862600000000 ] - [ 0.0004857700000000, 0.0064857700000000, 0.0027985600000000 ] - [ -0.0003603000000000, 0.0008719700000000, 0.0001710100000000 ] - [ -0.0063209400000000, -0.0003961800000000, -0.0051618000000000 ] - [ -0.0021551000000000, 0.0002609100000000, 0.0008603100000000 ] - [ 0.0032442100000000, 0.0032021300000000, -0.0003129200000000 ] - [ -0.0026492100000000, -0.0013968000000000, 0.0044175900000000 ] - [ 0.0001118300000000, 0.0010371600000000, 0.0003527200000000 ] - [ -0.0010597700000000, -0.0001502600000000, -0.0000294900000000 ] - [ -0.0012058200000000, -0.0000013500000000, -0.0001491700000000 ] - [ -0.0002324900000000, -0.0008506100000000, -0.0002028700000000 ] - [ -0.0050209600000000, 0.0258754600000000, 0.0154539800000000 ] - [ 0.0087443700000000, -0.0025014900000000, 0.0047183000000000 ] - [ -0.0007663400000000, -0.0011665100000000, -0.0000574100000000 ] - [ -0.0383245400000000, 0.0020657100000000, -0.0108463700000000 ] - [ -0.0032225200000000, -0.0003885800000000, 0.0005904700000000 ] - [ -0.0004142500000000, -0.0018098700000000, 0.0000142700000000 ] - [ 0.0006668900000000, -0.0009596900000000, -0.0003653000000000 ] - [ -0.0010005200000000, 0.0031878100000000, -0.0005965000000000 ] - [ -0.0020077300000000, 0.0012605600000000, 0.0012249200000000 ] - [ 0.0017227400000000, -0.0036626500000000, 0.0000925400000000 ] - [ 0.0000075900000000, 0.0022939000000000, -0.0001454300000000 ] - [ -0.0015468000000000, -0.0016321300000000, 0.0004252900000000 ] - [ -0.0003032400000000, -0.0013854900000000, 0.0004022200000000 ] - [ 0.0015731000000000, 0.0031198600000000, -0.0003550300000000 ] - [ -0.0001126700000000, 0.0012728200000000, 0.0002650000000000 ] - [ -0.0037230300000000, -0.0008568900000000, 0.0002240600000000 ] - [ -0.0030270800000000, 0.0011547000000000, -0.0002038600000000 ] - [ -0.0032730500000000, -0.0001266200000000, -0.0002154900000000 ] - [ -0.0077439500000000, -0.0191098300000000, -0.0009637800000000 ] - [ -0.0005802400000000, 0.0023174900000000, 0.0002186300000000 ] - [ 0.0034788300000000, 0.0005665300000000, -0.0004456300000000 ] - [ -0.0009929300000000, -0.0010598000000000, -0.0013452900000000 ] - [ -0.0021156700000000, -0.0028041900000000, 0.0010134900000000 ] - [ -0.0002695600000000, 0.0002469600000000, -0.0002287700000000 ] - [ -0.0002115600000000, -0.0024097400000000, -0.0005816000000000 ] - [ 0.4664528700000000, -0.0049302000000000, -0.0019284400000000 ] - [ -0.0051521800000000, -0.0020827900000000, -0.0015483700000000 ] - [ -0.0017936100000000, -0.0001047200000000, 0.0001175300000000 ] - [ 0.0013691200000000, 0.0024166200000000, 0.0001015000000000 ] - [ -0.0003429600000000, 0.0014343300000000, 0.0000841000000000 ] - [ -0.0046051900000000, -0.0079332200000000, 0.0012290900000000 ] - [ -0.0010744300000000, 0.0006810000000000, -0.0008426400000000 ] - [ 0.0000931300000000, 0.0013623700000000, -0.0007407100000000 ] - [ -0.0002898400000000, -0.0004183300000000, 0.0002983900000000 ] - [ -0.0019097500000000, 0.0012886400000000, 0.0004628100000000 ] - [ 0.0028312400000000, 0.0036536800000000, -0.0019849900000000 ] - [ -0.0065063400000000, 0.0084949200000000, -0.0032133300000000 ] - [ 0.0029752100000000, 0.0007481200000000, -0.0054547100000000 ] - [ -0.0023999700000000, -0.0008040600000000, -0.0003164300000000 ] - [ -0.0037773100000000, -0.0002735100000000, -0.0005077800000000 ] - [ 0.0053746700000000, 0.0009704700000000, 0.0046520100000000 ] - [ -0.0017476900000000, -0.0006241300000000, 0.0000831000000000 ] - [ 0.0007569000000000, -0.0023374900000000, -0.0011032100000000 ] - [ -0.0004332800000000, -0.0006841100000000, 0.0003861500000000 ] - [ -0.0060225800000000, 0.0019394800000000, 0.0013503600000000 ] - [ 0.0010554900000000, 0.0018161600000000, -0.0071283900000000 ] - [ -0.0037720700000000, -0.0005995300000000, 0.0007081600000000 ] - [ 0.0042291000000000, -0.0024042000000000, -0.0005045000000000 ] - [ 0.0009161800000000, 0.0004807400000000, 0.0001479200000000 ] - [ 0.0099796600000000, -0.0100246400000000, 0.0008983000000000 ] - [ -0.0050540200000000, -0.0019484900000000, -0.0023773300000000 ] - [ -0.0006330200000000, -0.0039532200000000, 0.0001338900000000 ] - [ 0.0001167300000000, -0.0014347900000000, -0.0002254500000000 ] - [ 0.0002292300000000, 0.0008668300000000, -0.0000636600000000 ] - [ -0.0003860700000000, 0.0022575800000000, -0.0004618200000000 ] - [ -0.0024013900000000, 0.0011794200000000, 0.0002395900000000 ] - [ 0.0032894000000000, 0.0036285200000000, 0.0000868000000000 ] - [ -0.0001278300000000, -0.0006449800000000, 0.0001052900000000 ] - [ -0.0058766200000000, 0.0035469300000000, -0.0023299000000000 ] - [ 0.0005004500000000, -0.0002155200000000, 0.0000213700000000 ] - [ 0.0003279900000000, 0.0003130900000000, -0.0000642800000000 ] - [ -0.0000634200000000, -0.0001998100000000, -0.0000358300000000 ] - [ 0.0017043400000000, 0.0002264600000000, 0.0001623100000000 ] - [ 0.0012532800000000, 0.0004107800000000, -0.0003005000000000 ] - [ -0.0001012900000000, -0.0006357700000000, 0.0001300200000000 ] - [ 0.0010624800000000, 0.0023510600000000, -0.0016908800000000 ] - [ -0.0004230700000000, 0.0009422300000000, -0.0000348100000000 ] - [ 0.0018011500000000, -0.0010325300000000, 0.0001596800000000 ] - [ 0.0016506600000000, 0.0008702700000000, 0.0000342900000000 ] - [ -0.0010488500000000, -0.0004342000000000, 0.0002200200000000 ] - [ 0.0016070500000000, -0.0000124400000000, 0.0008247100000000 ] - [ 0.0000653600000000, -0.0010483500000000, -0.0001784500000000 ] - [ 0.0028336700000000, 0.0004077400000000, 0.0002807300000000 ] - [ 0.0005791700000000, 0.0004322800000000, -0.0001745900000000 ] - [ -0.1675645800000000, -0.0551945100000000, -0.0783654800000000 ] - [ -0.0008990200000000, 0.0041980500000000, -0.0000396200000000 ] - [ 0.0010394100000000, -0.0018039500000000, 0.0008536200000000 ] - [ 0.0000508200000000, 0.0016263100000000, 0.0000583800000000 ] - [ -0.0015517700000000, -0.0002254000000000, 0.0008025300000000 ] - [ -0.0008134900000000, -0.0012553000000000, 0.0001686100000000 ] - [ -0.0001611200000000, 0.0010745000000000, 0.0001611600000000 ] - [ 0.0045628700000000, -0.0019099600000000, 0.0003979600000000 ] - [ -0.0062149000000000, -0.0085193700000000, -0.0015130200000000 ] - [ -0.0003240300000000, -0.0020092800000000, 0.0003611200000000 ] - [ -0.0023372900000000, 0.0003920000000000, 0.0009248100000000 ] - [ -0.0024235300000000, -0.0020746600000000, -0.0015341800000000 ] - [ 0.0018876600000000, 0.0023728800000000, -0.0003636100000000 ] - [ 0.0001878800000000, 0.0012250800000000, 0.0000998900000000 ] - [ 0.0003770200000000, 0.0003088100000000, -0.0000459200000000 ] - [ -0.0553021100000000, -0.0480633900000000, 0.0207538800000000 ] - [ -0.0001566400000000, 0.0020943400000000, 0.0001339800000000 ] - [ 0.0011845500000000, -0.0005050900000000, -0.0000110100000000 ] - [ -0.0005922500000000, -0.0009005000000000, 0.0002025900000000 ] - [ 0.0001380800000000, 0.0004030000000000, -0.0000806200000000 ] - [ 0.0008829700000000, 0.0022755600000000, 0.0007062400000000 ] - [ -0.0006224600000000, 0.0012811000000000, 0.0008629800000000 ] - [ -0.0023040500000000, -0.0001726800000000, -0.0005218300000000 ] - [ 0.0087274800000000, 0.0058296800000000, -0.0016759200000000 ] - [ 0.0003808200000000, 0.0007003500000000, -0.0001702600000000 ] - [ 0.0030803300000000, 0.0005773900000000, -0.0008954300000000 ] - [ 0.0014696600000000, 0.0012683400000000, 0.0017218500000000 ] - [ 0.0015662400000000, 0.0007226100000000, -0.0000514700000000 ] - [ 0.0014025300000000, -0.0002047400000000, -0.0001290500000000 ] - [ 0.0020697700000000, -0.0008103300000000, -0.0002976200000000 ] - [ 0.0019436700000000, 0.0010018000000000, 0.0001973000000000 ] - [ 0.0029990200000000, -0.0017971900000000, 0.0001164700000000 ] - [ -0.0507835500000000, 0.0058061400000000, 0.0473349400000000 ] - [ 0.0006393200000000, 0.0007256800000000, -0.0004455100000000 ] - [ -0.0014160000000000, -0.0038661900000000, -0.0106212100000000 ] - [ 0.0010916600000000, -0.0002250900000000, 0.0002114300000000 ] - [ 0.0014237400000000, 0.0000346200000000, 0.0002603400000000 ] - [ 0.0012868200000000, -0.0025111400000000, 0.0021021000000000 ] - [ -0.0017717200000000, -0.0011201100000000, 0.0008381800000000 ] - [ 0.0015894900000000, 0.0002093200000000, -0.0000300700000000 ] - [ 0.0054645200000000, -0.0002966400000000, 0.0092160700000000 ] - [ 0.0031607300000000, 0.0021327500000000, 0.0003848700000000 ] - [ 0.0012792300000000, 0.0002939300000000, -0.0005593300000000 ] - [ -0.0029380200000000, -0.0002498200000000, -0.0000267500000000 ] - [ 0.0013918400000000, -0.0006026700000000, -0.0017686000000000 ] - [ 0.0010472800000000, -0.0001796300000000, -0.0003629100000000 ] - [ 0.0010719400000000, -0.0006015500000000, 0.0000191600000000 ] - [ 0.0004343800000000, -0.0008040400000000, 0.0002675300000000 ] - [ 0.0007191600000000, -0.0002806800000000, -0.0001570500000000 ] - [ -0.0000548000000000, 0.0006794600000000, 0.0000370500000000 ] - [ 0.0011527600000000, 0.0002259200000000, 0.0001066200000000 ] - [ -0.0004986500000000, 0.0025680600000000, 0.0057178300000000 ] - [ -0.0008775000000000, -0.0024736300000000, -0.0003795900000000 ] - [ 0.0012918800000000, -0.0013241700000000, -0.0003946400000000 ] - [ 0.0003684400000000, -0.0003095400000000, -0.0000226100000000 ] - [ 0.0002131300000000, -0.0015100900000000, 0.0001030700000000 ] - [ -0.1599267000000000, 0.1072702400000000, 0.0117571500000000 ] - [ 0.0012067900000000, -0.0010969100000000, -0.0001016300000000 ] - [ 0.0006737800000000, 0.0002937700000000, -0.0001311700000000 ] - [ -0.0025351200000000, -0.0010221500000000, 0.0015319100000000 ] - [ -0.0001048100000000, -0.0006229100000000, -0.0001216300000000 ] - [ -0.0000261300000000, -0.0011792600000000, 0.0000811500000000 ] - [ 0.0000274600000000, -0.0014655600000000, 0.0000813800000000 ] - [ 0.0067139500000000, -0.0053104000000000, -0.0013374200000000 ] - [ 0.0017175100000000, 0.0007105800000000, -0.0002300500000000 ] - [ 0.0003819900000000, -0.0001093500000000, 0.0007947100000000 ] - [ 0.0007795400000000, 0.0003920800000000, 0.0000862800000000 ] - [ 0.0007163400000000, 0.0043413800000000, 0.0000471600000000 ] - [ -0.0004127700000000, 0.0007733700000000, 0.0008084700000000 ] - [ 0.0029236500000000, -0.0000010300000000, -0.0006269600000000 ]- atom: 50 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0004973300000000, 0.0007867500000000, 0.0000047100000000 ] - [ -0.0004249900000000, 0.0011518200000000, -0.0000438200000000 ] - [ -0.0011364100000000, 0.0020602700000000, -0.0005633900000000 ] - [ 0.0012395000000000, 0.0007479700000000, -0.0002496900000000 ] - [ 0.0000611000000000, 0.0000589400000000, 0.0000080800000000 ] - [ -0.0007370600000000, -0.0000068600000000, 0.0003037200000000 ] - [ -0.0001363700000000, -0.0003078000000000, 0.0000169500000000 ] - [ 0.0004506700000000, 0.0007734700000000, 0.0002437200000000 ] - [ 0.0070999400000000, 0.0022280800000000, -0.0041978500000000 ] - [ 0.0003374200000000, 0.0001468500000000, 0.0002270300000000 ] - [ -0.0005970100000000, 0.0008327700000000, 0.0000946500000000 ] - [ 0.0034590300000000, -0.0007994000000000, 0.0014645600000000 ] - [ -0.0005132800000000, 0.0011444200000000, 0.0001465900000000 ] - [ -0.0006952500000000, -0.0004739800000000, 0.0000163400000000 ] - [ -0.0055182000000000, 0.0062177400000000, 0.0056755100000000 ] - [ -0.0006773200000000, 0.0008712300000000, 0.0001911100000000 ] - [ -0.0051507200000000, -0.0043500500000000, -0.0042794000000000 ] - [ -0.0009462300000000, -0.0005406500000000, 0.0003627400000000 ] - [ -0.0022359800000000, 0.0027329400000000, -0.0050245900000000 ] - [ -0.0001494900000000, -0.0054699000000000, 0.0019825900000000 ] - [ -0.0006541800000000, 0.0015284800000000, 0.0005207000000000 ] - [ -0.0000243600000000, -0.0002368500000000, 0.0000673500000000 ] - [ -0.0010209700000000, -0.0001217700000000, -0.0001814600000000 ] - [ 0.0008762700000000, 0.0007886100000000, 0.0002320600000000 ] - [ -0.0161722600000000, 0.0355819000000000, 0.0198952000000000 ] - [ 0.0048176100000000, -0.0076504100000000, 0.0043269700000000 ] - [ -0.0003558000000000, 0.0005038200000000, -0.0001605700000000 ] - [ -0.0098039100000000, -0.0052233500000000, -0.0048372300000000 ] - [ -0.0005295700000000, -0.0002220600000000, 0.0004111000000000 ] - [ 0.0010458200000000, 0.0013929000000000, -0.0004289100000000 ] - [ -0.0006339800000000, 0.0025535200000000, 0.0012677300000000 ] - [ -0.0020021700000000, -0.0000483100000000, -0.0001410600000000 ] - [ -0.0033948500000000, 0.0006204100000000, 0.0013593000000000 ] - [ 0.0027885900000000, 0.0004719000000000, 0.0003091400000000 ] - [ -0.0011061000000000, 0.0031988200000000, -0.0001110900000000 ] - [ 0.0007583400000000, 0.0005954500000000, -0.0001685700000000 ] - [ 0.0012238300000000, 0.0009866900000000, 0.0003672500000000 ] - [ -0.0031517700000000, 0.0035815500000000, -0.0001279600000000 ] - [ -0.0008457600000000, 0.0031025200000000, 0.0001828100000000 ] - [ -0.0024140000000000, -0.0037105800000000, 0.0003243800000000 ] - [ -0.0018758600000000, 0.0005493800000000, -0.0000673400000000 ] - [ -0.0018318500000000, -0.0007575400000000, -0.0002788600000000 ] - [ 0.0214157400000000, 0.0160565400000000, 0.0061116100000000 ] - [ -0.0010995800000000, 0.0029440600000000, 0.0002678100000000 ] - [ 0.0024171900000000, 0.0023825600000000, -0.0013481900000000 ] - [ 0.0025191500000000, -0.0016738700000000, -0.0002341400000000 ] - [ 0.0000400000000000, -0.0018675400000000, -0.0001586600000000 ] - [ 0.0007650300000000, 0.0006050700000000, -0.0003289900000000 ] - [ 0.0016800800000000, 0.0007920000000000, -0.0006082700000000 ] - [ 0.2417938500000000, -0.4030125500000000, -0.0034025100000000 ] - [ 0.0045089700000000, -0.0014813300000000, 0.0010680200000000 ] - [ -0.0011214500000000, -0.0008016300000000, 0.0002595000000000 ] - [ -0.0013798900000000, 0.0024874300000000, -0.0002485000000000 ] - [ -0.0019603100000000, 0.0026261700000000, 0.0000706200000000 ] - [ 0.0001060100000000, -0.0025583700000000, 0.0004129200000000 ] - [ 0.0003698000000000, 0.0015778900000000, -0.0006578800000000 ] - [ -0.0008843600000000, 0.0027902500000000, -0.0008807500000000 ] - [ 0.0005751000000000, 0.0027245800000000, 0.0002139800000000 ] - [ -0.0023842800000000, 0.0020843600000000, 0.0004220100000000 ] - [ 0.0021553000000000, 0.0087265000000000, -0.0031341700000000 ] - [ -0.0050983800000000, 0.0030281200000000, -0.0017812600000000 ] - [ 0.0024643600000000, -0.0023548600000000, 0.0047239900000000 ] - [ -0.0001401300000000, -0.0002079900000000, -0.0005936000000000 ] - [ -0.0018624700000000, -0.0010998000000000, -0.0005886900000000 ] - [ 0.0025572200000000, 0.0005666800000000, 0.0065914200000000 ] - [ -0.0016405800000000, 0.0012265800000000, 0.0002494300000000 ] - [ 0.0022882000000000, 0.0006775000000000, -0.0006512000000000 ] - [ 0.0012641900000000, 0.0010730200000000, 0.0001256500000000 ] - [ -0.0092864000000000, 0.0002499300000000, 0.0018089100000000 ] - [ -0.0014806200000000, -0.0029127100000000, -0.0009487100000000 ] - [ -0.0019282200000000, -0.0027320600000000, 0.0004291200000000 ] - [ -0.0010783900000000, 0.0062431000000000, 0.0007913300000000 ] - [ 0.0006589600000000, -0.0003125000000000, 0.0001209000000000 ] - [ 0.0050964500000000, 0.0002974000000000, 0.0018835300000000 ] - [ -0.0018013600000000, 0.0031110000000000, -0.0017460000000000 ] - [ 0.0009703000000000, -0.0012238300000000, 0.0002040800000000 ] - [ 0.0017370900000000, -0.0026464200000000, -0.0005175300000000 ] - [ -0.0005200600000000, -0.0003660600000000, -0.0000250500000000 ] - [ -0.0009822100000000, 0.0009757900000000, -0.0003587200000000 ] - [ -0.0027001500000000, -0.0005893100000000, 0.0007976400000000 ] - [ -0.0106586700000000, 0.0013485000000000, -0.0006700200000000 ] - [ 0.0004869000000000, -0.0011621900000000, 0.0000355700000000 ] - [ -0.0047591200000000, 0.0059876600000000, -0.0021898000000000 ] - [ -0.0001372000000000, 0.0000153400000000, -0.0001430400000000 ] - [ -0.0000544100000000, -0.0011890000000000, 0.0003376200000000 ] - [ 0.0008057600000000, -0.0006805200000000, -0.0000845100000000 ] - [ 0.0001282000000000, -0.0003198500000000, -0.0000583000000000 ] - [ 0.0001950200000000, 0.0002349300000000, -0.0000538800000000 ] - [ 0.0002575500000000, -0.0013563700000000, 0.0002489400000000 ] - [ -0.0005224500000000, 0.0009902900000000, -0.0003408700000000 ] - [ -0.0004669500000000, -0.0030428700000000, 0.0003775600000000 ] - [ 0.0016728100000000, -0.0003828900000000, 0.0001285700000000 ] - [ 0.0008106700000000, -0.0001830600000000, 0.0000423900000000 ] - [ 0.0009733200000000, -0.0012003900000000, -0.0002654700000000 ] - [ 0.0007763700000000, 0.0003024800000000, 0.0008737700000000 ] - [ 0.0004257500000000, -0.0016604500000000, -0.0001910600000000 ] - [ 0.0014848300000000, 0.0009794800000000, 0.0000537500000000 ] - [ -0.0006567500000000, -0.0008949600000000, 0.0000135000000000 ] - [ -0.0371613700000000, 0.0279361600000000, -0.0091630600000000 ] - [ -0.0009806300000000, -0.0066579800000000, -0.0002929000000000 ] - [ 0.0007062200000000, 0.0012304300000000, -0.0002897700000000 ] - [ -0.0004576200000000, -0.0001390600000000, 0.0000796400000000 ] - [ 0.0000966800000000, -0.0025764800000000, -0.0010252300000000 ] - [ 0.0006127300000000, -0.0013461400000000, 0.0003127500000000 ] - [ -0.0013761500000000, -0.0011682600000000, -0.0000471400000000 ] - [ 0.0031488100000000, -0.0006556400000000, 0.0000707000000000 ] - [ -0.0039819800000000, -0.0126036700000000, -0.0011069300000000 ] - [ 0.0008473600000000, -0.0044661500000000, 0.0002482400000000 ] - [ -0.0011177100000000, -0.0008959800000000, -0.0002357000000000 ] - [ -0.0015129900000000, -0.0023530800000000, -0.0018245900000000 ] - [ -0.0012565500000000, -0.0002120800000000, -0.0003459300000000 ] - [ -0.0004612600000000, -0.0001529400000000, -0.0000359000000000 ] - [ -0.0012246700000000, -0.0013190700000000, 0.0001933700000000 ] - [ 0.0132705600000000, 0.1366728700000000, -0.0461068800000000 ] - [ -0.0015967600000000, -0.0007168000000000, 0.0000591500000000 ] - [ 0.0002088100000000, -0.0000749100000000, 0.0000640800000000 ] - [ 0.0000800700000000, -0.0023613400000000, 0.0003572400000000 ] - [ 0.0003898600000000, -0.0012143700000000, 0.0001814900000000 ] - [ 0.0005424900000000, 0.0030703100000000, 0.0005744700000000 ] - [ -0.0011506300000000, -0.0003850800000000, 0.0004635800000000 ] - [ 0.0018211500000000, -0.0028544000000000, 0.0000954000000000 ] - [ 0.0010509400000000, 0.0025681400000000, -0.0004373600000000 ] - [ 0.0002936900000000, -0.0010240000000000, -0.0003540500000000 ] - [ 0.0017558800000000, 0.0010688800000000, -0.0006765200000000 ] - [ -0.0011038000000000, 0.0019706200000000, -0.0001011500000000 ] - [ 0.0007076900000000, -0.0003349700000000, -0.0000064900000000 ] - [ 0.0005979900000000, 0.0001308700000000, -0.0001813200000000 ] - [ 0.0006868400000000, -0.0001591400000000, -0.0000857700000000 ] - [ 0.0000327300000000, 0.0007625600000000, 0.0002487000000000 ] - [ 0.0037732300000000, -0.0018379100000000, 0.0000704200000000 ] - [ -0.0299293500000000, 0.0389552300000000, 0.0433643100000000 ] - [ -0.0004402200000000, -0.0001169000000000, -0.0000780700000000 ] - [ 0.0012871000000000, -0.0035408900000000, -0.0140708800000000 ] - [ 0.0012035700000000, -0.0009284600000000, 0.0002459500000000 ] - [ 0.0008343200000000, 0.0005436700000000, 0.0001666900000000 ] - [ 0.0014619800000000, -0.0005675000000000, 0.0010263000000000 ] - [ -0.0009889600000000, -0.0026716200000000, 0.0017365600000000 ] - [ -0.0002179800000000, 0.0018970400000000, -0.0002446700000000 ] - [ 0.0002143700000000, 0.0012950400000000, 0.0011557200000000 ] - [ -0.0000430400000000, 0.0008092500000000, 0.0000270300000000 ] - [ 0.0006319700000000, 0.0011853500000000, -0.0005110200000000 ] - [ -0.0032824300000000, -0.0021624200000000, 0.0000287100000000 ] - [ 0.0023255700000000, -0.0000638100000000, -0.0021040400000000 ] - [ 0.0011105100000000, -0.0005925000000000, -0.0003928800000000 ] - [ 0.0006866500000000, -0.0003334600000000, -0.0001107200000000 ] - [ 0.0002480400000000, -0.0015322200000000, 0.0003434900000000 ] - [ 0.0009200200000000, -0.0006156400000000, -0.0001749900000000 ] - [ -0.0006628400000000, -0.0017092500000000, -0.0007323800000000 ] - [ 0.0013619400000000, 0.0013947800000000, 0.0001880600000000 ] - [ -0.0047835700000000, -0.0018852900000000, -0.0079523200000000 ] - [ 0.0009813200000000, -0.0014461900000000, -0.0006213800000000 ] - [ 0.0007311300000000, -0.0011160000000000, -0.0003054700000000 ] - [ -0.0000261800000000, -0.0013388500000000, 0.0000372200000000 ] - [ 0.0013168600000000, -0.0021997800000000, 0.0004338200000000 ] - [ -0.1734366700000000, 0.1701511200000000, 0.0157139500000000 ] - [ 0.0018409300000000, -0.0013440800000000, 0.0000122400000000 ] - [ -0.0006491300000000, -0.0004284800000000, 0.0000818800000000 ] - [ 0.0007646600000000, 0.0018750100000000, -0.0007757100000000 ] - [ 0.0009401500000000, -0.0010732500000000, -0.0001002800000000 ] - [ 0.0019788600000000, -0.0003757800000000, -0.0005581800000000 ] - [ 0.0005310800000000, -0.0020497500000000, 0.0001912300000000 ] - [ 0.0100302200000000, -0.0062177900000000, -0.0013568100000000 ] - [ -0.0017085500000000, 0.0026939500000000, 0.0003991900000000 ] - [ -0.0001112800000000, -0.0005064600000000, 0.0008067300000000 ] - [ -0.0006470800000000, -0.0006281000000000, -0.0003700700000000 ] - [ -0.0009664900000000, 0.0010502500000000, -0.0001457400000000 ] - [ -0.0031302600000000, 0.0011033100000000, -0.0010552000000000 ] - [ 0.0036656500000000, 0.0021075400000000, -0.0005956600000000 ]- atom: 50 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0005573500000000, -0.0007549300000000, 0.0002191100000000 ] - [ 0.0004217900000000, -0.0011556200000000, 0.0001611500000000 ] - [ 0.0012544400000000, -0.0019047800000000, 0.0010231800000000 ] - [ -0.0013598700000000, -0.0008996800000000, 0.0007054300000000 ] - [ -0.0003649800000000, -0.0002490800000000, 0.0000263800000000 ] - [ 0.0009364900000000, -0.0000180700000000, 0.0001533000000000 ] - [ 0.0001398500000000, 0.0003103900000000, 0.0000974700000000 ] - [ -0.0003887900000000, -0.0008039800000000, -0.0000182500000000 ] - [ -0.0070558800000000, -0.0022286600000000, 0.0042893100000000 ] - [ -0.0002605300000000, -0.0003286800000000, 0.0002315600000000 ] - [ 0.0009033400000000, -0.0006443200000000, -0.0000618100000000 ] - [ -0.0034477900000000, 0.0007906300000000, -0.0013934000000000 ] - [ 0.0005133700000000, -0.0011452900000000, -0.0000328400000000 ] - [ 0.0006364700000000, 0.0004399100000000, 0.0002076500000000 ] - [ 0.0053817500000000, -0.0062780100000000, -0.0052985200000000 ] - [ 0.0006024600000000, -0.0006894100000000, 0.0002685300000000 ] - [ 0.0051466900000000, 0.0042690300000000, 0.0045025100000000 ] - [ 0.0010050800000000, 0.0005838100000000, -0.0001410000000000 ] - [ 0.0022112600000000, -0.0023774500000000, 0.0050938600000000 ] - [ 0.0001540900000000, 0.0055284000000000, -0.0017619900000000 ] - [ 0.0009697200000000, -0.0016976800000000, -0.0004846100000000 ] - [ 0.0000262200000000, 0.0002371400000000, -0.0000027400000000 ] - [ 0.0010372400000000, -0.0002378700000000, 0.0002163700000000 ] - [ -0.0011947000000000, -0.0006168800000000, -0.0001953400000000 ] - [ 0.0157193200000000, -0.0366502000000000, -0.0202886600000000 ] - [ -0.0051142800000000, 0.0079760100000000, -0.0043982500000000 ] - [ 0.0016394900000000, -0.0016359300000000, 0.0000504500000000 ] - [ 0.0110093500000000, 0.0058413900000000, 0.0043584600000000 ] - [ 0.0005027200000000, 0.0002582900000000, 0.0003925400000000 ] - [ -0.0013951500000000, -0.0030578800000000, 0.0003201700000000 ] - [ -0.0009981800000000, -0.0030888000000000, -0.0013795500000000 ] - [ 0.0020297800000000, 0.0000232100000000, 0.0009509700000000 ] - [ 0.0033474300000000, -0.0006241100000000, -0.0005559000000000 ] - [ -0.0038202500000000, 0.0003038800000000, -0.0008042300000000 ] - [ 0.0014515800000000, -0.0015383600000000, 0.0000020600000000 ] - [ -0.0011720300000000, -0.0006737900000000, 0.0001228300000000 ] - [ -0.0012152900000000, -0.0009424600000000, 0.0004329300000000 ] - [ 0.0018686500000000, -0.0024614600000000, 0.0000207800000000 ] - [ 0.0008379900000000, -0.0031416400000000, 0.0006161600000000 ] - [ 0.0026979600000000, 0.0033727600000000, -0.0003741100000000 ] - [ 0.0020399500000000, -0.0001345900000000, 0.0000288400000000 ] - [ 0.0006482100000000, 0.0002461300000000, -0.0002198100000000 ] - [ -0.0214981900000000, -0.0160670500000000, -0.0052683700000000 ] - [ 0.0027203600000000, -0.0024124000000000, -0.0003730100000000 ] - [ -0.0019925500000000, -0.0022998100000000, 0.0012963200000000 ] - [ -0.0023520500000000, 0.0029624900000000, -0.0002661000000000 ] - [ -0.0001966600000000, 0.0014485300000000, 0.0001182800000000 ] - [ 0.0002812500000000, -0.0013866500000000, -0.0001694800000000 ] - [ -0.0014205500000000, -0.0018258300000000, -0.0005277300000000 ] - [ -0.2238946700000000, 0.3978263700000000, 0.0005875100000000 ] - [ -0.0046857600000000, 0.0021195500000000, -0.0023392700000000 ] - [ 0.0022703800000000, -0.0004355600000000, 0.0004125600000000 ] - [ 0.0020605100000000, -0.0030197400000000, 0.0006146700000000 ] - [ 0.0018402300000000, -0.0034644700000000, 0.0002836900000000 ] - [ -0.0012554700000000, 0.0037847900000000, 0.0002591700000000 ] - [ 0.0003402500000000, -0.0017184600000000, -0.0006094400000000 ] - [ 0.0006268000000000, -0.0017554600000000, -0.0002580000000000 ] - [ -0.0004571700000000, -0.0018940700000000, 0.0001407100000000 ] - [ 0.0016226500000000, -0.0024151700000000, -0.0000693900000000 ] - [ -0.0026572100000000, -0.0102876700000000, 0.0037811000000000 ] - [ 0.0040811700000000, -0.0027699900000000, 0.0006636200000000 ] - [ -0.0032154500000000, 0.0016267600000000, -0.0058721300000000 ] - [ 0.0011878000000000, -0.0000827300000000, -0.0005448200000000 ] - [ 0.0014357500000000, 0.0005575300000000, -0.0006835100000000 ] - [ -0.0023639300000000, -0.0012010400000000, -0.0078390500000000 ] - [ 0.0009549300000000, -0.0007049800000000, 0.0001152700000000 ] - [ -0.0029873800000000, -0.0005384000000000, -0.0006156500000000 ] - [ -0.0007489000000000, 0.0005352300000000, 0.0005467800000000 ] - [ 0.0100446500000000, 0.0005057600000000, -0.0029505200000000 ] - [ 0.0018876800000000, 0.0034685600000000, -0.0003291500000000 ] - [ 0.0002861700000000, 0.0023726700000000, 0.0002449800000000 ] - [ 0.0018117900000000, -0.0059235000000000, -0.0004361700000000 ] - [ -0.0000504700000000, 0.0006252800000000, 0.0000486100000000 ] - [ -0.0044292500000000, 0.0000470500000000, -0.0016607700000000 ] - [ 0.0026489900000000, -0.0028559800000000, 0.0019784200000000 ] - [ -0.0017645500000000, 0.0016689700000000, -0.0001482200000000 ] - [ -0.0015911300000000, 0.0025012300000000, 0.0004736000000000 ] - [ 0.0007100700000000, 0.0006460200000000, -0.0000957200000000 ] - [ 0.0010505500000000, -0.0004888500000000, 0.0000196000000000 ] - [ 0.0015985400000000, 0.0005389500000000, -0.0007846200000000 ] - [ 0.0099125500000000, -0.0011022200000000, 0.0006318700000000 ] - [ -0.0010613600000000, 0.0015351700000000, 0.0001298000000000 ] - [ 0.0053772900000000, -0.0069330900000000, 0.0022158600000000 ] - [ -0.0012547300000000, 0.0008828300000000, -0.0005605100000000 ] - [ 0.0006312900000000, 0.0008192600000000, -0.0001714300000000 ] - [ -0.0008392900000000, 0.0015850000000000, 0.0001440000000000 ] - [ 0.0009642700000000, 0.0003743400000000, 0.0000704400000000 ] - [ -0.0003466400000000, 0.0000709400000000, -0.0000699500000000 ] - [ -0.0004476600000000, 0.0010753000000000, -0.0003690900000000 ] - [ 0.0006054200000000, -0.0006026800000000, -0.0000985600000000 ] - [ 0.0005334900000000, 0.0032434000000000, -0.0004225200000000 ] - [ -0.0014544100000000, -0.0001266400000000, -0.0000176000000000 ] - [ -0.0002606300000000, 0.0003755900000000, -0.0001648800000000 ] - [ -0.0007603200000000, 0.0012462700000000, 0.0002194300000000 ] - [ -0.0006313300000000, -0.0002898800000000, 0.0007360700000000 ] - [ -0.0004831900000000, 0.0014611800000000, 0.0001489200000000 ] - [ -0.0018680700000000, -0.0006853500000000, -0.0003856100000000 ] - [ 0.0011009000000000, 0.0005076200000000, -0.0001321200000000 ] - [ 0.0344077700000000, -0.0289134600000000, 0.0078592100000000 ] - [ 0.0008861900000000, 0.0060559000000000, 0.0001568300000000 ] - [ -0.0008136100000000, -0.0005202500000000, 0.0002723200000000 ] - [ 0.0006561700000000, 0.0010170100000000, 0.0001697900000000 ] - [ -0.0001174800000000, 0.0019012900000000, 0.0011914200000000 ] - [ -0.0012189500000000, 0.0010371100000000, -0.0001447600000000 ] - [ 0.0008023000000000, 0.0006800100000000, 0.0000169600000000 ] - [ -0.0025026900000000, 0.0000499500000000, 0.0001731800000000 ] - [ 0.0040752400000000, 0.0141854700000000, 0.0004045700000000 ] - [ -0.0011632800000000, 0.0039957100000000, -0.0001376800000000 ] - [ 0.0003501100000000, 0.0004216100000000, 0.0002996600000000 ] - [ 0.0010594000000000, 0.0021694500000000, 0.0014838800000000 ] - [ 0.0017017700000000, 0.0003905400000000, 0.0000083600000000 ] - [ 0.0007793100000000, 0.0006093900000000, 0.0001432400000000 ] - [ 0.0012592000000000, 0.0004150900000000, -0.0001340900000000 ] - [ -0.0151332300000000, -0.1410438300000000, 0.0486254800000000 ] - [ 0.0009326600000000, 0.0011407800000000, 0.0001812200000000 ] - [ -0.0009204200000000, -0.0002817900000000, 0.0001810700000000 ] - [ -0.0002796600000000, 0.0014828800000000, -0.0001084100000000 ] - [ -0.0005352900000000, 0.0013661900000000, -0.0002248000000000 ] - [ -0.0000120100000000, -0.0020748700000000, -0.0005582700000000 ] - [ 0.0012400200000000, 0.0002611800000000, 0.0011498400000000 ] - [ -0.0014664600000000, 0.0027961700000000, -0.0003585500000000 ] - [ -0.0010950100000000, -0.0026840800000000, 0.0004488300000000 ] - [ -0.0003839700000000, 0.0013236800000000, 0.0000749800000000 ] - [ -0.0002930100000000, -0.0003231000000000, -0.0000228400000000 ] - [ 0.0010356500000000, -0.0021077700000000, 0.0017045500000000 ] - [ 0.0000838600000000, -0.0000987200000000, 0.0000660400000000 ] - [ -0.0011237200000000, -0.0011263200000000, 0.0001981800000000 ] - [ -0.0005700800000000, -0.0005672100000000, 0.0000619900000000 ] - [ -0.0006962000000000, -0.0001552200000000, -0.0000038000000000 ] - [ -0.0030008900000000, 0.0023063700000000, -0.0000087000000000 ] - [ 0.0298483000000000, -0.0387253700000000, -0.0432989100000000 ] - [ 0.0008125400000000, 0.0002379100000000, -0.0003587300000000 ] - [ -0.0012064600000000, 0.0036656300000000, 0.0156245900000000 ] - [ -0.0014133500000000, 0.0008850700000000, -0.0002916200000000 ] - [ -0.0007648900000000, -0.0004295100000000, -0.0001512600000000 ] - [ -0.0013141300000000, 0.0002622000000000, -0.0011674900000000 ] - [ 0.0006128600000000, 0.0025424100000000, -0.0021625900000000 ] - [ 0.0002866500000000, -0.0020273700000000, 0.0002627900000000 ] - [ -0.0003352500000000, -0.0013221500000000, 0.0004649800000000 ] - [ -0.0001788600000000, -0.0002988500000000, 0.0000843100000000 ] - [ -0.0009313600000000, -0.0009197200000000, 0.0000710200000000 ] - [ 0.0034084100000000, 0.0021498100000000, -0.0000107600000000 ] - [ -0.0026649900000000, 0.0000858700000000, 0.0019815200000000 ] - [ -0.0014563900000000, 0.0006641800000000, 0.0001304200000000 ] - [ -0.0007739000000000, -0.0000523400000000, -0.0003321100000000 ] - [ 0.0004148000000000, 0.0011072200000000, -0.0001014900000000 ] - [ -0.0008873500000000, 0.0013000800000000, 0.0003414200000000 ] - [ 0.0008849000000000, 0.0019619300000000, 0.0004684900000000 ] - [ -0.0019181500000000, -0.0013404400000000, -0.0000793300000000 ] - [ 0.0051373400000000, 0.0018463400000000, 0.0078348700000000 ] - [ -0.0015343800000000, 0.0012617700000000, 0.0005081600000000 ] - [ -0.0008047400000000, 0.0006349500000000, -0.0000312400000000 ] - [ 0.0005967700000000, 0.0018259200000000, -0.0000673700000000 ] - [ -0.0012248000000000, 0.0019050000000000, -0.0007127800000000 ] - [ 0.1615067600000000, -0.1605378000000000, -0.0144828600000000 ] - [ -0.0017275300000000, 0.0019197000000000, -0.0001362200000000 ] - [ 0.0005068800000000, 0.0004323300000000, -0.0000644800000000 ] - [ -0.0003671800000000, -0.0021865100000000, 0.0004250200000000 ] - [ -0.0013823300000000, 0.0014626700000000, -0.0000174000000000 ] - [ -0.0012580600000000, 0.0001249700000000, 0.0005202400000000 ] - [ -0.0007482900000000, 0.0018029300000000, -0.0004582800000000 ] - [ -0.0100707100000000, 0.0054695800000000, 0.0016062600000000 ] - [ 0.0010672400000000, -0.0017193400000000, -0.0003646800000000 ] - [ 0.0000168700000000, 0.0006321000000000, 0.0008085600000000 ] - [ 0.0005505700000000, -0.0010204800000000, -0.0003304900000000 ] - [ 0.0023462900000000, -0.0019442900000000, -0.0005549500000000 ] - [ 0.0031465000000000, -0.0003167000000000, 0.0013021600000000 ] - [ -0.0045286400000000, -0.0023751500000000, 0.0008416900000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000862500000000, -0.0000289200000000, 0.0000260400000000 ] - [ 0.0000545400000000, -0.0000313300000000, 0.0001859300000000 ] - [ 0.0001416200000000, -0.0000064700000000, -0.0000190200000000 ] - [ -0.0002087600000000, -0.0001623300000000, 0.0008942100000000 ] - [ -0.0001005400000000, -0.0000135900000000, 0.0001789800000000 ] - [ 0.0001775300000000, -0.0000026400000000, 0.0002894700000000 ] - [ 0.0000110000000000, -0.0000080900000000, 0.0001534800000000 ] - [ -0.0000192000000000, -0.0000208200000000, 0.0001886300000000 ] - [ -0.0037958500000000, -0.0072907700000000, -0.0023803900000000 ] - [ 0.0000534800000000, -0.0000285400000000, 0.0001096000000000 ] - [ 0.0000284000000000, 0.0000853700000000, -0.0001355100000000 ] - [ 0.0004377700000000, 0.0027403200000000, 0.0040799900000000 ] - [ 0.0000426600000000, 0.0000641200000000, -0.0000563100000000 ] - [ 0.0002240400000000, -0.0000980800000000, 0.0005058800000000 ] - [ -0.0034992900000000, 0.0061800500000000, -0.0016867500000000 ] - [ -0.0000514000000000, 0.0000404400000000, 0.0003092800000000 ] - [ 0.0040867700000000, -0.0007164200000000, -0.0009092200000000 ] - [ -0.0002434200000000, -0.0001333800000000, -0.0005776400000000 ] - [ 0.0014176300000000, -0.0034159400000000, 0.0053016300000000 ] - [ -0.0023887600000000, 0.0001071200000000, 0.0030882600000000 ] - [ 0.0001814700000000, -0.0000894600000000, 0.0002347700000000 ] - [ 0.0000259600000000, -0.0000067300000000, -0.0000595100000000 ] - [ 0.0001058800000000, -0.0001789800000000, -0.0000628600000000 ] - [ -0.0000751000000000, 0.0002705800000000, -0.0003420400000000 ] - [ -0.0069089000000000, 0.0069979500000000, 0.0018702500000000 ] - [ 0.0044265300000000, -0.0033120900000000, 0.0484525800000000 ] - [ 0.0007648100000000, -0.0005036900000000, -0.0001454000000000 ] - [ 0.0205350400000000, -0.0029141200000000, 0.0026939800000000 ] - [ 0.0006150000000000, 0.0000654200000000, 0.0001619100000000 ] - [ -0.0002934300000000, -0.0011056200000000, 0.0001717800000000 ] - [ -0.0010920100000000, 0.0014167400000000, -0.0003207000000000 ] - [ -0.0009505000000000, 0.0006845500000000, 0.0019366900000000 ] - [ 0.0009162700000000, -0.0002258200000000, 0.0011005400000000 ] - [ -0.0008592800000000, 0.0014419400000000, -0.0002618800000000 ] - [ 0.0001817000000000, 0.0009369000000000, -0.0001228000000000 ] - [ -0.0003903700000000, -0.0001953500000000, 0.0002004900000000 ] - [ -0.0000334700000000, 0.0000430000000000, 0.0005555900000000 ] - [ -0.0000527700000000, 0.0001376600000000, -0.0000087000000000 ] - [ -0.0000594700000000, -0.0000154500000000, 0.0002525000000000 ] - [ 0.0000679600000000, 0.0001554500000000, 0.0000748400000000 ] - [ 0.0004158500000000, -0.0000164000000000, 0.0001232600000000 ] - [ -0.0004735300000000, -0.0002964000000000, -0.0003501900000000 ] - [ -0.0075335100000000, -0.0056232900000000, -0.0107489500000000 ] - [ 0.0008896300000000, 0.0002900400000000, 0.0000386900000000 ] - [ -0.0000688400000000, -0.0013060700000000, -0.0001959500000000 ] - [ 0.0015316800000000, 0.0005045400000000, -0.0005169200000000 ] - [ -0.0016398900000000, -0.0016462200000000, -0.0004123700000000 ] - [ 0.0004821200000000, -0.0004508100000000, -0.0003095300000000 ] - [ 0.0001041800000000, -0.0003758100000000, -0.0004153500000000 ] - [ -0.0042513000000000, -0.0012654600000000, -0.4308572400000000 ] - [ -0.0020554600000000, 0.0002596100000000, -0.0027134700000000 ] - [ 0.0003112000000000, -0.0007124900000000, 0.0006097300000000 ] - [ 0.0002429200000000, 0.0006155300000000, 0.0009751200000000 ] - [ 0.0000118200000000, -0.0005364900000000, 0.0000557800000000 ] - [ 0.0005600500000000, 0.0039460900000000, -0.0014665700000000 ] - [ 0.0003378200000000, -0.0002013800000000, -0.0007294200000000 ] - [ -0.0000608700000000, 0.0002470600000000, -0.0006765200000000 ] - [ 0.0002035400000000, 0.0007505400000000, 0.0005771900000000 ] - [ -0.0000924400000000, -0.0002539100000000, 0.0002943900000000 ] - [ -0.0001771800000000, 0.0001814000000000, -0.0014630000000000 ] - [ 0.0010062500000000, -0.0020919000000000, 0.0005209700000000 ] - [ 0.0044313900000000, 0.0084131900000000, 0.0005063600000000 ] - [ 0.0003718600000000, -0.0001720200000000, -0.0008437900000000 ] - [ -0.0000027000000000, -0.0003797700000000, -0.0008110600000000 ] - [ 0.0061856300000000, -0.0042115800000000, 0.0075851200000000 ] - [ -0.0001749100000000, 0.0003538700000000, 0.0000784900000000 ] - [ -0.0008153500000000, -0.0001927400000000, 0.0003106500000000 ] - [ 0.0003310800000000, 0.0010089600000000, 0.0006103800000000 ] - [ -0.0000691800000000, 0.0003420600000000, -0.0003530600000000 ] - [ -0.0070570000000000, -0.0014968900000000, 0.0077644800000000 ] - [ -0.0004569200000000, -0.0000705100000000, 0.0006227300000000 ] - [ 0.0022076800000000, -0.0019105900000000, -0.0023473400000000 ] - [ 0.0002442800000000, 0.0001220900000000, 0.0001873700000000 ] - [ -0.0038563000000000, 0.0049433300000000, 0.0022967400000000 ] - [ -0.0062399300000000, -0.0058757900000000, -0.0093981300000000 ] - [ -0.0003691000000000, 0.0010476400000000, 0.0003934900000000 ] - [ -0.0000789100000000, 0.0001242000000000, 0.0000614800000000 ] - [ 0.0001023900000000, 0.0001037500000000, -0.0002297800000000 ] - [ 0.0002288500000000, 0.0005984800000000, -0.0004642100000000 ] - [ -0.0000092100000000, 0.0005872600000000, -0.0006503000000000 ] - [ 0.0044880700000000, 0.0014101500000000, 0.0013160100000000 ] - [ -0.0003116900000000, 0.0002083400000000, 0.0002129800000000 ] - [ -0.0054712300000000, 0.0095725600000000, -0.0107401500000000 ] - [ -0.0006487100000000, 0.0004858000000000, -0.0003727000000000 ] - [ 0.0002669100000000, -0.0001688700000000, -0.0002251100000000 ] - [ -0.0000308800000000, 0.0005075400000000, 0.0000396600000000 ] - [ 0.0006364900000000, 0.0000734900000000, -0.0000034800000000 ] - [ -0.0001549400000000, 0.0001390600000000, 0.0002437400000000 ] - [ -0.0000991500000000, -0.0000676300000000, 0.0000934600000000 ] - [ 0.0005289700000000, -0.0000887600000000, 0.0013021700000000 ] - [ -0.0002143000000000, 0.0007307300000000, 0.0002798200000000 ] - [ 0.0005517300000000, -0.0003572900000000, -0.0001112200000000 ] - [ 0.0000759100000000, -0.0000106900000000, -0.0000381100000000 ] - [ 0.0002585300000000, -0.0003527000000000, -0.0002546800000000 ] - [ 0.0000141700000000, 0.0000382300000000, 0.0009471700000000 ] - [ -0.0001025200000000, -0.0001096100000000, -0.0000481800000000 ] - [ -0.0002780100000000, 0.0000970700000000, -0.0001325200000000 ] - [ 0.0001644000000000, -0.0002816900000000, -0.0001125200000000 ] - [ 0.0793160700000000, 0.0359675000000000, 0.0835116700000000 ] - [ 0.0007323900000000, 0.0042567600000000, 0.0007680700000000 ] - [ 0.0019291900000000, 0.0000924500000000, -0.0015804500000000 ] - [ 0.0001575900000000, 0.0004287500000000, 0.0001044700000000 ] - [ -0.0006492200000000, -0.0011395700000000, 0.0017886900000000 ] - [ -0.0003785400000000, -0.0001929400000000, -0.0005369600000000 ] - [ -0.0001487400000000, -0.0000969700000000, -0.0001106200000000 ] - [ -0.0006249000000000, 0.0001218500000000, 0.0000111700000000 ] - [ 0.0003501500000000, -0.0011541500000000, 0.0003945000000000 ] - [ -0.0000287100000000, -0.0005828900000000, 0.0002566000000000 ] - [ -0.0000012100000000, -0.0027681500000000, -0.0009755700000000 ] - [ -0.0009261700000000, 0.0017861300000000, -0.0013392400000000 ] - [ 0.0007960400000000, 0.0005606800000000, 0.0001418200000000 ] - [ 0.0001370800000000, 0.0001462400000000, -0.0000047200000000 ] - [ 0.0000858400000000, -0.0004157700000000, 0.0000305100000000 ] - [ -0.0193253000000000, -0.0660334400000000, 0.0673004900000000 ] - [ -0.0003517000000000, -0.0001015000000000, 0.0001303600000000 ] - [ -0.0003680700000000, -0.0001692900000000, 0.0001480500000000 ] - [ -0.0001089200000000, -0.0000638500000000, 0.0001378300000000 ] - [ -0.0000918000000000, -0.0000406700000000, -0.0000706100000000 ] - [ 0.0031146200000000, 0.0020416700000000, -0.0019562900000000 ] - [ 0.0000994000000000, -0.0003377600000000, 0.0002206400000000 ] - [ -0.0005658200000000, 0.0009032600000000, 0.0002713400000000 ] - [ -0.0058052700000000, -0.0025436300000000, 0.0021695600000000 ] - [ -0.0000909800000000, 0.0001715400000000, -0.0001569000000000 ] - [ 0.0005415300000000, 0.0003406900000000, -0.0003141100000000 ] - [ -0.0002708700000000, -0.0002818300000000, 0.0020294600000000 ] - [ 0.0003938500000000, -0.0002169700000000, 0.0000553300000000 ] - [ -0.0003765800000000, -0.0004635000000000, 0.0000083800000000 ] - [ -0.0002105500000000, -0.0002669600000000, 0.0000433400000000 ] - [ 0.0002049800000000, 0.0004439700000000, 0.0000954500000000 ] - [ 0.0004683100000000, 0.0001856200000000, 0.0000213000000000 ] - [ -0.0444334600000000, 0.0211605000000000, 0.2152579500000000 ] - [ 0.0002236400000000, 0.0000602700000000, -0.0004605600000000 ] - [ 0.0009140000000000, -0.0015269700000000, -0.0039981600000000 ] - [ -0.0002252500000000, -0.0000422100000000, -0.0000306300000000 ] - [ 0.0000811000000000, 0.0001455100000000, -0.0000528200000000 ] - [ -0.0002331800000000, 0.0001665200000000, -0.0013298100000000 ] - [ -0.0003133700000000, 0.0004276500000000, 0.0008080000000000 ] - [ -0.0003011800000000, 0.0000941500000000, -0.0003213600000000 ] - [ -0.0014409600000000, 0.0005296500000000, -0.0062686700000000 ] - [ -0.0009587800000000, -0.0004414800000000, 0.0000863600000000 ] - [ -0.0002109200000000, 0.0000878400000000, -0.0004831700000000 ] - [ 0.0002317400000000, -0.0002052200000000, 0.0004572400000000 ] - [ -0.0001173900000000, 0.0000064300000000, -0.0006241900000000 ] - [ -0.0003354400000000, 0.0000375500000000, -0.0000912100000000 ] - [ -0.0000749900000000, -0.0001262900000000, -0.0004680300000000 ] - [ 0.0003658700000000, -0.0000911000000000, 0.0001183500000000 ] - [ -0.0000631500000000, 0.0003414700000000, -0.0000455000000000 ] - [ -0.0000707900000000, -0.0004866800000000, -0.0001949800000000 ] - [ -0.0006675600000000, -0.0000833800000000, -0.0000858700000000 ] - [ -0.0014731000000000, -0.0035093700000000, 0.0065408500000000 ] - [ 0.0002421900000000, -0.0009256100000000, -0.0011715500000000 ] - [ -0.0001207900000000, -0.0000898100000000, -0.0001130000000000 ] - [ 0.0003176700000000, 0.0002930100000000, 0.0000021600000000 ] - [ 0.0001784100000000, -0.0004331500000000, -0.0001430800000000 ] - [ -0.0099434500000000, 0.0092175700000000, 0.0381090900000000 ] - [ -0.0002826700000000, 0.0005487500000000, -0.0001402800000000 ] - [ -0.0000788200000000, -0.0000208200000000, -0.0000357800000000 ] - [ 0.0064722200000000, -0.0002633400000000, -0.0131333000000000 ] - [ -0.0002229300000000, 0.0002185000000000, -0.0000342100000000 ] - [ -0.0017856700000000, 0.0007186700000000, -0.0011726800000000 ] - [ -0.0001531000000000, -0.0001082200000000, -0.0001472900000000 ] - [ 0.0008846000000000, -0.0005942800000000, -0.0002937900000000 ] - [ 0.0003149500000000, 0.0002361100000000, 0.0001275900000000 ] - [ -0.0000365100000000, 0.0001026400000000, 0.0008978700000000 ] - [ -0.0003819900000000, -0.0009865800000000, -0.0003805200000000 ] - [ 0.0003508100000000, -0.0020325900000000, 0.0000760300000000 ] - [ -0.0020444100000000, -0.0008423800000000, -0.0001767000000000 ] - [ -0.0003897500000000, -0.0002023900000000, 0.0003378900000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000310600000000, 0.0000605200000000, 0.0002003300000000 ] - [ -0.0000556800000000, 0.0000309500000000, -0.0000660000000000 ] - [ -0.0000248500000000, 0.0001608500000000, 0.0004808300000000 ] - [ 0.0000928200000000, 0.0000077200000000, -0.0004405600000000 ] - [ -0.0001984500000000, -0.0001842000000000, -0.0001460500000000 ] - [ 0.0000129700000000, -0.0000199700000000, 0.0001687500000000 ] - [ -0.0000115300000000, 0.0000089500000000, -0.0000432100000000 ] - [ 0.0000740600000000, -0.0000110500000000, 0.0000364300000000 ] - [ 0.0038073000000000, 0.0073086400000000, 0.0025187000000000 ] - [ 0.0000227900000000, -0.0001484000000000, 0.0003502600000000 ] - [ 0.0002690800000000, 0.0001136600000000, 0.0001702000000000 ] - [ -0.0004174200000000, -0.0027181200000000, -0.0040243600000000 ] - [ -0.0000420900000000, -0.0000632900000000, 0.0001777600000000 ] - [ -0.0002790300000000, 0.0000685500000000, -0.0002823600000000 ] - [ 0.0033126000000000, -0.0061553100000000, 0.0021669600000000 ] - [ -0.0000240700000000, 0.0001356200000000, 0.0001496100000000 ] - [ -0.0041061100000000, 0.0006540300000000, 0.0011496800000000 ] - [ 0.0002949500000000, 0.0001650000000000, 0.0008061300000000 ] - [ -0.0014225100000000, 0.0037331400000000, -0.0052609200000000 ] - [ 0.0023587800000000, -0.0000507700000000, -0.0028683500000000 ] - [ 0.0001389700000000, -0.0000695100000000, -0.0002017200000000 ] - [ -0.0000275400000000, 0.0000059400000000, 0.0001193600000000 ] - [ -0.0000828400000000, -0.0001790000000000, 0.0000978600000000 ] - [ -0.0002472700000000, -0.0001117900000000, 0.0003799900000000 ] - [ 0.0067672400000000, -0.0082288800000000, -0.0024540800000000 ] - [ -0.0045776800000000, 0.0036055500000000, -0.0488238600000000 ] - [ 0.0005273300000000, -0.0006097500000000, 0.0000370000000000 ] - [ -0.0192846800000000, 0.0034545900000000, -0.0032498500000000 ] - [ -0.0006400200000000, -0.0000250200000000, 0.0006414600000000 ] - [ -0.0000316800000000, -0.0005565400000000, -0.0002823700000000 ] - [ -0.0005127700000000, -0.0019812800000000, 0.0002245600000000 ] - [ 0.0009733300000000, -0.0007268500000000, -0.0011355600000000 ] - [ -0.0009771000000000, 0.0002361000000000, -0.0002990400000000 ] - [ -0.0001849300000000, -0.0006790800000000, -0.0002397400000000 ] - [ 0.0001439300000000, 0.0007281500000000, 0.0000156300000000 ] - [ -0.0000351500000000, 0.0001226700000000, -0.0002449200000000 ] - [ 0.0000488300000000, -0.0000018100000000, 0.0002428300000000 ] - [ -0.0012416700000000, 0.0009786800000000, -0.0001036800000000 ] - [ 0.0000450600000000, -0.0000276200000000, 0.0005478900000000 ] - [ 0.0002028200000000, -0.0005018200000000, -0.0001255900000000 ] - [ -0.0002527200000000, 0.0004323800000000, -0.0001627700000000 ] - [ -0.0007079800000000, -0.0002263400000000, -0.0001475000000000 ] - [ 0.0075935900000000, 0.0056351600000000, 0.0115724900000000 ] - [ 0.0007200000000000, 0.0002655600000000, -0.0001438000000000 ] - [ 0.0005022800000000, 0.0013904100000000, 0.0001614900000000 ] - [ -0.0013942600000000, 0.0007774200000000, 0.0000208300000000 ] - [ 0.0014786700000000, 0.0012346700000000, 0.0003793500000000 ] - [ 0.0005635200000000, -0.0003178900000000, -0.0001878600000000 ] - [ 0.0001616600000000, -0.0006604000000000, -0.0007224100000000 ] - [ -0.0019958700000000, 0.0047528000000000, 0.4469141800000000 ] - [ 0.0018564500000000, 0.0003703300000000, 0.0014469600000000 ] - [ 0.0008454700000000, -0.0005286800000000, 0.0000591600000000 ] - [ 0.0004322800000000, -0.0011578100000000, -0.0006138000000000 ] - [ -0.0001539500000000, -0.0002919500000000, 0.0002968500000000 ] - [ -0.0017263700000000, -0.0027243600000000, 0.0021414600000000 ] - [ 0.0003711200000000, 0.0000726200000000, -0.0005370100000000 ] - [ -0.0002050800000000, 0.0007895400000000, -0.0004587900000000 ] - [ -0.0000629600000000, 0.0000772600000000, -0.0002266100000000 ] - [ -0.0006815500000000, -0.0000502700000000, 0.0000554400000000 ] - [ -0.0003258100000000, -0.0018064000000000, 0.0021453300000000 ] - [ -0.0020667100000000, 0.0023855900000000, -0.0016686000000000 ] - [ -0.0051890000000000, -0.0092315800000000, -0.0016431100000000 ] - [ 0.0006794800000000, -0.0001124500000000, -0.0002928300000000 ] - [ -0.0004230700000000, -0.0001781900000000, -0.0004596900000000 ] - [ -0.0060213200000000, 0.0036268200000000, -0.0088468400000000 ] - [ -0.0004993500000000, 0.0001874600000000, 0.0002842100000000 ] - [ 0.0001099200000000, 0.0003235700000000, -0.0015801800000000 ] - [ 0.0001727500000000, 0.0006042000000000, 0.0000595500000000 ] - [ 0.0008219800000000, 0.0004241300000000, -0.0007957900000000 ] - [ 0.0075091800000000, 0.0020597500000000, -0.0090364500000000 ] - [ -0.0012059100000000, -0.0002961900000000, 0.0000506200000000 ] - [ -0.0014459000000000, 0.0022302300000000, 0.0027039300000000 ] - [ 0.0003670500000000, 0.0001808300000000, -0.0000151000000000 ] - [ 0.0045929100000000, -0.0046063900000000, -0.0020353000000000 ] - [ 0.0071064500000000, 0.0061810400000000, 0.0096542600000000 ] - [ -0.0004159900000000, -0.0006053600000000, -0.0003231500000000 ] - [ 0.0002385200000000, -0.0002785000000000, -0.0001052800000000 ] - [ 0.0000841700000000, 0.0001779000000000, 0.0001153900000000 ] - [ -0.0001642200000000, -0.0001114100000000, 0.0001270100000000 ] - [ -0.0010924200000000, -0.0006346200000000, 0.0006542100000000 ] - [ -0.0052219700000000, -0.0011624000000000, -0.0013568000000000 ] - [ -0.0002563200000000, 0.0001694400000000, -0.0000442500000000 ] - [ 0.0061144700000000, -0.0105908800000000, 0.0108065100000000 ] - [ -0.0007439200000000, 0.0004107900000000, -0.0003353600000000 ] - [ 0.0003018900000000, -0.0002085900000000, 0.0003974400000000 ] - [ 0.0000101400000000, 0.0003984200000000, 0.0000288300000000 ] - [ 0.0004604300000000, -0.0000264600000000, 0.0000097800000000 ] - [ 0.0000017700000000, 0.0001645800000000, -0.0003625900000000 ] - [ -0.0000873100000000, -0.0002137800000000, -0.0002114100000000 ] - [ -0.0004418800000000, 0.0004695300000000, -0.0017451400000000 ] - [ 0.0002703700000000, -0.0005260000000000, -0.0003225800000000 ] - [ -0.0003315300000000, -0.0001445200000000, 0.0002116600000000 ] - [ 0.0004666700000000, 0.0001941300000000, -0.0000901200000000 ] - [ -0.0000468900000000, 0.0004082100000000, 0.0002095700000000 ] - [ 0.0001369100000000, -0.0000163400000000, 0.0006638200000000 ] - [ 0.0000487900000000, -0.0001035400000000, 0.0000062500000000 ] - [ -0.0001021500000000, 0.0001991800000000, -0.0001974900000000 ] - [ 0.0002685800000000, -0.0001004200000000, -0.0000129700000000 ] - [ -0.0781301100000000, -0.0355172200000000, -0.0837038500000000 ] - [ -0.0008581300000000, -0.0048535400000000, -0.0009020900000000 ] - [ -0.0020513400000000, 0.0006287100000000, 0.0015478200000000 ] - [ 0.0000479400000000, 0.0004492800000000, 0.0001533100000000 ] - [ 0.0006065400000000, 0.0004582000000000, -0.0016284500000000 ] - [ -0.0002313900000000, -0.0001104200000000, 0.0007120900000000 ] - [ -0.0004206300000000, -0.0003896300000000, 0.0000712100000000 ] - [ 0.0012910300000000, -0.0007365500000000, 0.0002430300000000 ] - [ -0.0002633500000000, 0.0028298300000000, -0.0010866700000000 ] - [ -0.0002892800000000, 0.0001333100000000, -0.0001600100000000 ] - [ -0.0007927800000000, 0.0023302600000000, 0.0010457300000000 ] - [ 0.0004703100000000, -0.0019974500000000, 0.0009977900000000 ] - [ -0.0003441400000000, -0.0003727200000000, -0.0004796200000000 ] - [ 0.0001785100000000, 0.0003081100000000, 0.0001013200000000 ] - [ -0.0000647800000000, -0.0004912500000000, 0.0000379300000000 ] - [ 0.0195265100000000, 0.0646838800000000, -0.0674465000000000 ] - [ -0.0003127900000000, 0.0005354600000000, 0.0001191800000000 ] - [ -0.0003501200000000, -0.0001853300000000, 0.0001050600000000 ] - [ -0.0000964400000000, -0.0008155800000000, 0.0001176400000000 ] - [ -0.0000656900000000, 0.0001932700000000, 0.0000284000000000 ] - [ -0.0025939800000000, -0.0010597900000000, 0.0019627100000000 ] - [ -0.0000001500000000, 0.0002125600000000, 0.0014006100000000 ] - [ 0.0009150100000000, -0.0009728500000000, -0.0005324100000000 ] - [ 0.0057729700000000, 0.0024422200000000, -0.0021625800000000 ] - [ -0.0000025000000000, 0.0001245100000000, -0.0001249700000000 ] - [ 0.0009300700000000, 0.0004121700000000, -0.0003927500000000 ] - [ 0.0002146200000000, 0.0001388200000000, -0.0004264900000000 ] - [ 0.0003946900000000, -0.0002299100000000, 0.0000134900000000 ] - [ -0.0001509800000000, -0.0005234000000000, 0.0000005000000000 ] - [ 0.0003291000000000, -0.0004531500000000, -0.0000761400000000 ] - [ -0.0008658700000000, 0.0001669100000000, 0.0001572600000000 ] - [ 0.0003177700000000, 0.0002698100000000, 0.0000519200000000 ] - [ 0.0490070700000000, -0.0234414900000000, -0.2305982900000000 ] - [ 0.0001470800000000, 0.0000557600000000, 0.0000273900000000 ] - [ -0.0008320000000000, 0.0016314600000000, 0.0056192600000000 ] - [ 0.0000103300000000, -0.0000124800000000, -0.0000132300000000 ] - [ -0.0000105900000000, -0.0000304600000000, 0.0000694800000000 ] - [ 0.0003876600000000, -0.0004716600000000, 0.0012193800000000 ] - [ -0.0000587200000000, -0.0005435400000000, -0.0012519900000000 ] - [ 0.0003819200000000, -0.0002229800000000, 0.0003377300000000 ] - [ 0.0012876600000000, -0.0005555400000000, 0.0079011300000000 ] - [ 0.0007427100000000, 0.0009481600000000, 0.0000144300000000 ] - [ -0.0000750300000000, 0.0001772400000000, 0.0000473000000000 ] - [ -0.0000968700000000, 0.0002031500000000, -0.0004420100000000 ] - [ -0.0002170900000000, 0.0000087300000000, 0.0005132800000000 ] - [ -0.0000084000000000, 0.0000282900000000, -0.0001741200000000 ] - [ -0.0000126100000000, -0.0002515500000000, 0.0000314100000000 ] - [ 0.0003007300000000, -0.0003420300000000, 0.0001314900000000 ] - [ 0.0001068500000000, 0.0003385000000000, 0.0002161200000000 ] - [ 0.0002860700000000, 0.0007438300000000, -0.0000739800000000 ] - [ 0.0001219600000000, 0.0001355200000000, 0.0001829200000000 ] - [ 0.0018179700000000, 0.0035152800000000, -0.0066894700000000 ] - [ -0.0007847300000000, 0.0007446800000000, 0.0010434800000000 ] - [ 0.0000551900000000, -0.0003974300000000, -0.0002232100000000 ] - [ 0.0002511500000000, 0.0001942800000000, -0.0000424000000000 ] - [ -0.0000842400000000, 0.0001368200000000, -0.0001389300000000 ] - [ 0.0109514900000000, -0.0101013800000000, -0.0384546500000000 ] - [ 0.0004008900000000, 0.0000090800000000, 0.0000082000000000 ] - [ -0.0000565000000000, 0.0000245700000000, 0.0000526300000000 ] - [ -0.0061091700000000, -0.0000339400000000, 0.0127273700000000 ] - [ -0.0002093700000000, 0.0001646100000000, -0.0000913400000000 ] - [ 0.0025182600000000, -0.0009759000000000, 0.0011228500000000 ] - [ -0.0000615900000000, -0.0001452600000000, -0.0001214200000000 ] - [ -0.0009308500000000, -0.0001884400000000, 0.0005570900000000 ] - [ -0.0009424100000000, 0.0007424200000000, -0.0000994900000000 ] - [ -0.0000642000000000, 0.0000226700000000, 0.0007193200000000 ] - [ 0.0002977400000000, -0.0006605900000000, -0.0003255200000000 ] - [ 0.0010384800000000, 0.0011429200000000, -0.0007802300000000 ] - [ 0.0020822900000000, 0.0016489800000000, 0.0004295200000000 ] - [ -0.0004736000000000, -0.0000622900000000, -0.0000809700000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0001229000000000, 0.0009634500000000, 0.0003228700000000 ] - [ 0.0003619800000000, -0.0008256800000000, 0.0001810600000000 ] - [ -0.0002545700000000, 0.0002672100000000, 0.0003096300000000 ] - [ -0.0023359800000000, -0.0046529500000000, 0.0029028200000000 ] - [ -0.0000928500000000, -0.0003817000000000, -0.0000036300000000 ] - [ 0.0003599100000000, -0.0014066600000000, -0.0000366400000000 ] - [ 0.0032336900000000, 0.0014231700000000, -0.0041153500000000 ] - [ 0.0000771000000000, 0.0009223800000000, -0.0001036400000000 ] - [ 0.0005868500000000, 0.0009703900000000, -0.0000713400000000 ] - [ -0.0000240700000000, -0.0003037700000000, 0.0002712100000000 ] - [ 0.0012434300000000, 0.0003070100000000, 0.0000844800000000 ] - [ 0.0004812600000000, 0.0007939400000000, 0.0001619800000000 ] - [ 0.0004202600000000, -0.0009375700000000, -0.0000642400000000 ] - [ 0.0012385700000000, -0.0002195700000000, -0.0000586200000000 ] - [ 0.0018743500000000, -0.0001372100000000, -0.0001307200000000 ] - [ 0.0009258400000000, 0.0003760400000000, 0.0001934300000000 ] - [ -0.0027823600000000, 0.0049441700000000, -0.0028447400000000 ] - [ 0.0013918200000000, -0.0000634400000000, 0.0001882800000000 ] - [ 0.0021273500000000, 0.0000404200000000, 0.0008587100000000 ] - [ -0.0030970700000000, 0.0048727500000000, 0.0047729900000000 ] - [ -0.0000219300000000, 0.0001611500000000, -0.0000231500000000 ] - [ 0.0094359700000000, 0.0013844100000000, 0.0077164900000000 ] - [ -0.0000901700000000, -0.0015930600000000, 0.0005143100000000 ] - [ -0.0029106000000000, -0.0033220800000000, -0.0009783600000000 ] - [ -0.0019289300000000, 0.0037236000000000, 0.0002586400000000 ] - [ 0.0019827500000000, 0.0031078700000000, -0.0013589800000000 ] - [ 0.0007499300000000, -0.0021495600000000, 0.0000474500000000 ] - [ 0.0039169900000000, 0.0006224600000000, -0.0001433800000000 ] - [ 0.0014032200000000, -0.0022569300000000, 0.0006004800000000 ] - [ -0.0021489900000000, -0.0036196600000000, 0.0000676500000000 ] - [ 0.0004215100000000, -0.0040573300000000, -0.0012317900000000 ] - [ 0.0027603000000000, -0.0001140800000000, 0.0004562600000000 ] - [ -0.0032212600000000, -0.0007263500000000, -0.0000904500000000 ] - [ -0.0002397600000000, 0.0012373500000000, -0.0002882400000000 ] - [ 0.0009374200000000, 0.0001492900000000, -0.0001515700000000 ] - [ 0.0033489200000000, 0.0148854700000000, -0.0049861200000000 ] - [ -0.0013601300000000, 0.0008431700000000, 0.0002207900000000 ] - [ 0.0024462400000000, -0.0002841300000000, -0.0000412800000000 ] - [ 0.0012645700000000, 0.0015467300000000, 0.0005028500000000 ] - [ 0.0077170100000000, -0.0283300700000000, -0.0058490600000000 ] - [ 0.0042041600000000, 0.0012396800000000, -0.0002588900000000 ] - [ 0.0012891800000000, -0.0016132800000000, 0.0009398700000000 ] - [ 0.0452309800000000, -0.0075948900000000, -0.0069747600000000 ] - [ 0.0009517400000000, -0.0010211600000000, -0.0001589600000000 ] - [ 0.0004900600000000, 0.0015102100000000, 0.0000699900000000 ] - [ -0.0066309500000000, 0.0012925100000000, -0.0000313000000000 ] - [ 0.0014222400000000, 0.0002946800000000, -0.0000696700000000 ] - [ 0.0015417300000000, 0.0014094200000000, 0.0006983400000000 ] - [ -0.0031478100000000, 0.0016298000000000, -0.0010331800000000 ] - [ 0.0058686000000000, 0.0084027500000000, -0.0016221400000000 ] - [ -0.4651274700000000, -0.0006266700000000, -0.0054274800000000 ] - [ 0.0039436300000000, -0.0004345300000000, -0.0001263500000000 ] - [ 0.0027092500000000, -0.0007963900000000, 0.0003537900000000 ] - [ 0.0013830700000000, -0.0012740400000000, 0.0003115500000000 ] - [ 0.0009207000000000, 0.0014164100000000, 0.0004556300000000 ] - [ 0.0045364800000000, 0.0029880900000000, 0.0005756200000000 ] - [ 0.0006139700000000, 0.0020987000000000, -0.0004302000000000 ] - [ -0.0008026600000000, -0.0022971000000000, 0.0004019600000000 ] - [ -0.0006636600000000, -0.0011875600000000, 0.0000325500000000 ] - [ -0.0001474200000000, 0.0011904800000000, 0.0001367800000000 ] - [ 0.0031522000000000, 0.0001610900000000, -0.0005400000000000 ] - [ -0.0026113800000000, -0.0006627800000000, -0.0111684600000000 ] - [ 0.0021586400000000, -0.0017908800000000, -0.0002931400000000 ] - [ 0.0067102800000000, -0.0017532900000000, 0.0001003500000000 ] - [ -0.0012520200000000, 0.0022470200000000, 0.0000556500000000 ] - [ -0.0000503300000000, -0.0018558600000000, 0.0001690600000000 ] - [ 0.0000634500000000, 0.0008976800000000, -0.0007534300000000 ] - [ -0.0016593600000000, 0.0029681000000000, -0.0017750100000000 ] - [ -0.0034711900000000, -0.0034596900000000, -0.0017581000000000 ] - [ 0.0032303000000000, 0.0009517800000000, -0.0003923600000000 ] - [ -0.0060791400000000, -0.0003809000000000, -0.0057811700000000 ] - [ 0.0068801700000000, -0.0068773300000000, -0.0012505100000000 ] - [ 0.0002603400000000, 0.0009648100000000, 0.0000163400000000 ] - [ -0.0017619400000000, 0.0006495400000000, -0.0001152500000000 ] - [ -0.0003235000000000, -0.0018888300000000, 0.0013928100000000 ] - [ -0.0021245000000000, -0.0001951400000000, 0.0000498400000000 ] - [ -0.0012030500000000, 0.0010593500000000, 0.0001994900000000 ] - [ 0.0010739400000000, -0.0003880900000000, 0.0003329500000000 ] - [ -0.0002325600000000, -0.0000525700000000, -0.0001414900000000 ] - [ -0.0009053400000000, -0.0006521900000000, 0.0001228400000000 ] - [ 0.2009227700000000, 0.0288510600000000, 0.0732165300000000 ] - [ -0.0007178700000000, 0.0004543900000000, 0.0000966600000000 ] - [ 0.0006788300000000, -0.0024252300000000, 0.0005101900000000 ] - [ -0.0023670600000000, -0.0001531500000000, -0.0009001400000000 ] - [ 0.0006834000000000, 0.0013297100000000, -0.0002147400000000 ] - [ -0.0007376200000000, 0.0002122100000000, -0.0000231900000000 ] - [ -0.0021401000000000, -0.0038941300000000, -0.0003993400000000 ] - [ -0.0007448600000000, 0.0010098300000000, -0.0003442300000000 ] - [ -0.0005646100000000, -0.0008348800000000, -0.0002069000000000 ] - [ -0.0005642100000000, -0.0000253600000000, -0.0002366800000000 ] - [ 0.0000575400000000, 0.0040644900000000, -0.0003515000000000 ] - [ -0.0024364600000000, -0.0003456300000000, 0.0002594700000000 ] - [ 0.0001125300000000, 0.0017211000000000, -0.0002447800000000 ] - [ -0.0016111200000000, 0.0008602600000000, 0.0004532200000000 ] - [ -0.0018890500000000, 0.0006977000000000, -0.0005500200000000 ] - [ -0.0001136300000000, 0.0006245700000000, 0.0000644400000000 ] - [ -0.0067850000000000, 0.0052301100000000, -0.0014527900000000 ] - [ 0.0014582300000000, 0.0003412500000000, -0.0001563600000000 ] - [ -0.0040745000000000, -0.0023690800000000, -0.0011252700000000 ] - [ -0.0094868200000000, 0.0102714900000000, 0.0006348500000000 ] - [ -0.0016192200000000, 0.0007056100000000, -0.0001649300000000 ] - [ 0.0009318100000000, -0.0031961500000000, 0.0002803300000000 ] - [ -0.0019193300000000, 0.0016881300000000, 0.0016687800000000 ] - [ -0.0014743200000000, 0.0001502800000000, -0.0000468000000000 ] - [ -0.0001756400000000, -0.0008480900000000, -0.0001270100000000 ] - [ -0.0028618100000000, -0.0004532800000000, 0.0001961700000000 ] - [ -0.0001299700000000, -0.0011350200000000, -0.0000584200000000 ] - [ -0.0000487600000000, -0.0013895300000000, 0.0000141900000000 ] - [ -0.0017678300000000, 0.0021386400000000, 0.0020081500000000 ] - [ -0.0002574900000000, -0.0016090000000000, -0.0004977800000000 ] - [ 0.0503586700000000, 0.0440622400000000, -0.0031398700000000 ] - [ 0.0020234400000000, -0.0010839500000000, 0.0007139600000000 ] - [ 0.0023255300000000, -0.0000382700000000, -0.0000256800000000 ] - [ -0.0094284600000000, -0.0053360800000000, 0.0005792900000000 ] - [ 0.0000329300000000, -0.0005374300000000, 0.0001451000000000 ] - [ -0.0014912400000000, 0.0012838600000000, 0.0000771400000000 ] - [ -0.0001072300000000, -0.0015048000000000, 0.0001643800000000 ] - [ -0.0003526800000000, 0.0015237200000000, -0.0002898600000000 ] - [ -0.0009285700000000, -0.0004066200000000, -0.0002176600000000 ] - [ -0.0000424600000000, -0.0005482200000000, 0.0008673000000000 ] - [ -0.0038257200000000, 0.0013887500000000, -0.0008196200000000 ] - [ -0.0014261000000000, -0.0008018500000000, 0.0002880600000000 ] - [ -0.0001211800000000, 0.0016205000000000, 0.0001355700000000 ] - [ 0.0012463800000000, 0.0010791400000000, -0.0002019300000000 ] - [ 0.0385776100000000, -0.0011316900000000, 0.0034539400000000 ] - [ 0.0002729300000000, 0.0008598500000000, -0.0000237200000000 ] - [ -0.0039143200000000, -0.0006157900000000, 0.0002066000000000 ] - [ -0.0026244900000000, 0.0017748300000000, 0.0003845900000000 ] - [ -0.0016864800000000, 0.0005471500000000, 0.0000861700000000 ] - [ 0.0007456200000000, 0.0019333200000000, 0.0003043900000000 ] - [ -0.0015483200000000, -0.0020753300000000, 0.0015539000000000 ] - [ 0.0019105100000000, -0.0021692500000000, 0.0036978300000000 ] - [ 0.0003724600000000, -0.0019190400000000, 0.0002638800000000 ] - [ -0.0002836100000000, 0.0008340500000000, -0.0000759300000000 ] - [ -0.0013473500000000, -0.0000530300000000, -0.0001060000000000 ] - [ -0.0013673300000000, -0.0001413600000000, -0.0000911400000000 ] - [ -0.0001781900000000, -0.0008190200000000, -0.0002343500000000 ] - [ 0.0042640600000000, -0.0015234000000000, 0.0023774700000000 ] - [ -0.0014115700000000, -0.0002564000000000, 0.0006817200000000 ] - [ -0.0013945300000000, 0.0005327800000000, -0.0000121000000000 ] - [ -0.0014458900000000, 0.0054417500000000, 0.0076307700000000 ] - [ -0.0002733700000000, -0.0007779500000000, 0.0000200700000000 ] - [ 0.0014461200000000, 0.0008762600000000, 0.0009541700000000 ] - [ -0.0001783500000000, 0.0008058700000000, -0.0002245900000000 ] - [ -0.0017534700000000, -0.0005542500000000, 0.0002015800000000 ] - [ -0.0005755500000000, -0.0015011200000000, -0.0000308200000000 ] - [ 0.0001315400000000, 0.0009902700000000, 0.0002557100000000 ] - [ 0.0009344300000000, 0.0023505800000000, 0.0003110400000000 ] - [ 0.0020592700000000, 0.0018281900000000, 0.0011796700000000 ] - [ -0.0056410700000000, 0.0012594600000000, 0.0145995500000000 ] - [ -0.0017498600000000, -0.0001260200000000, 0.0001225700000000 ] - [ -0.0019126900000000, -0.0008532000000000, -0.0002265700000000 ] - [ -0.0013229100000000, -0.0019760500000000, 0.0001082000000000 ] - [ -0.0010613400000000, 0.0005302500000000, -0.0004801700000000 ] - [ -0.0003241000000000, -0.0045249900000000, -0.0001165300000000 ] - [ 0.0005130000000000, 0.0007265800000000, -0.0000012100000000 ] - [ 0.0001591000000000, -0.0009001700000000, 0.0003133700000000 ] - [ -0.0022086600000000, -0.0009846100000000, 0.0001915400000000 ] - [ -0.0013462200000000, -0.0000109800000000, -0.0001341300000000 ] - [ 0.0022887500000000, -0.0011798000000000, 0.0001695900000000 ] - [ -0.0001866300000000, 0.0004932700000000, -0.0002055200000000 ] - [ 0.0031612500000000, -0.0004967800000000, -0.0000263900000000 ] - [ 0.1357041700000000, -0.0707377700000000, -0.0699134300000000 ] - [ -0.0010301100000000, -0.0013704800000000, -0.0001309600000000 ] - [ 0.0027469700000000, -0.0003835600000000, -0.0004070600000000 ] - [ 0.0001773600000000, -0.0009354000000000, -0.0003046600000000 ] - [ 0.0059903200000000, 0.0000888100000000, -0.0005312500000000 ] - [ 0.0061732900000000, 0.0090413000000000, -0.0007447400000000 ]- atom: 51 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0000637100000000, -0.0009327700000000, -0.0000987600000000 ] - [ -0.0003631300000000, 0.0008232200000000, -0.0000645800000000 ] - [ 0.0003746900000000, -0.0001123300000000, 0.0001491100000000 ] - [ 0.0021998700000000, 0.0044952500000000, -0.0024415600000000 ] - [ -0.0002115500000000, 0.0001945200000000, 0.0000382000000000 ] - [ -0.0001585300000000, 0.0013816600000000, 0.0004954300000000 ] - [ -0.0032313600000000, -0.0014181000000000, 0.0042544800000000 ] - [ -0.0000117400000000, -0.0009547700000000, 0.0003289000000000 ] - [ -0.0005884600000000, -0.0009697600000000, 0.0001877900000000 ] - [ 0.0001014700000000, 0.0001243400000000, 0.0001877600000000 ] - [ -0.0009409900000000, -0.0001190200000000, -0.0000508600000000 ] - [ -0.0004801300000000, -0.0007916500000000, -0.0000958700000000 ] - [ -0.0004194100000000, 0.0009360800000000, 0.0001788300000000 ] - [ -0.0012969000000000, 0.0001838400000000, 0.0002829300000000 ] - [ -0.0020667900000000, 0.0001623700000000, 0.0005888900000000 ] - [ -0.0010035700000000, -0.0001955800000000, 0.0002664400000000 ] - [ 0.0027639300000000, -0.0050011200000000, 0.0030660700000000 ] - [ -0.0013353500000000, 0.0001033900000000, 0.0000345000000000 ] - [ -0.0021450300000000, 0.0003202400000000, -0.0008246300000000 ] - [ 0.0030820600000000, -0.0048093700000000, -0.0045477800000000 ] - [ 0.0003391600000000, -0.0003328400000000, 0.0000593700000000 ] - [ -0.0095677500000000, -0.0013966600000000, -0.0077562100000000 ] - [ 0.0001087300000000, 0.0012341400000000, -0.0004812700000000 ] - [ 0.0025751200000000, 0.0034838200000000, 0.0010094500000000 ] - [ 0.0017597200000000, -0.0050086900000000, -0.0007563600000000 ] - [ -0.0022588700000000, -0.0027626300000000, 0.0013055000000000 ] - [ 0.0005357000000000, 0.0010194500000000, -0.0001574700000000 ] - [ -0.0027310500000000, -0.0001049300000000, -0.0003544900000000 ] - [ -0.0014278800000000, 0.0022987700000000, 0.0002018100000000 ] - [ 0.0017919900000000, 0.0019530900000000, -0.0001759500000000 ] - [ -0.0020431800000000, 0.0035060200000000, 0.0011219400000000 ] - [ -0.0027376800000000, 0.0000800500000000, 0.0003481200000000 ] - [ 0.0031749200000000, 0.0007180300000000, 0.0008937200000000 ] - [ -0.0008003000000000, -0.0004523200000000, -0.0002097700000000 ] - [ -0.0005918900000000, 0.0015109800000000, 0.0000430100000000 ] - [ -0.0036894000000000, -0.0150429400000000, 0.0050010000000000 ] - [ 0.0013666800000000, -0.0007938300000000, 0.0005769800000000 ] - [ -0.0037271300000000, 0.0014109700000000, -0.0000685000000000 ] - [ -0.0012743600000000, -0.0015973200000000, 0.0002959700000000 ] - [ -0.0074384800000000, 0.0281171500000000, 0.0059016800000000 ] - [ -0.0040603400000000, -0.0008277700000000, 0.0002229200000000 ] - [ -0.0024690100000000, 0.0011072700000000, -0.0014469800000000 ] - [ -0.0447705600000000, 0.0076229500000000, 0.0079278900000000 ] - [ 0.0006702900000000, 0.0015537300000000, 0.0000551100000000 ] - [ -0.0000708200000000, -0.0014293500000000, -0.0001150500000000 ] - [ 0.0067877900000000, -0.0000278300000000, -0.0004853200000000 ] - [ -0.0015755400000000, -0.0007051500000000, 0.0000289500000000 ] - [ -0.0004918200000000, -0.0022017300000000, -0.0012051800000000 ] - [ 0.0033992700000000, -0.0026504400000000, -0.0001050800000000 ] - [ -0.0042199500000000, -0.0080401200000000, 0.0023033300000000 ] - [ 0.4571839000000000, -0.0059063800000000, -0.0076427600000000 ] - [ -0.0028045400000000, -0.0008008400000000, 0.0007964800000000 ] - [ -0.0020235400000000, 0.0002698800000000, 0.0000114000000000 ] - [ -0.0015041800000000, 0.0004365000000000, 0.0000424100000000 ] - [ -0.0020667300000000, -0.0001714100000000, 0.0002152100000000 ] - [ -0.0038512900000000, -0.0031484400000000, -0.0018546900000000 ] - [ -0.0008717200000000, -0.0010696100000000, -0.0007076200000000 ] - [ 0.0009173700000000, 0.0031259100000000, -0.0000486900000000 ] - [ -0.0000950700000000, 0.0008558000000000, 0.0003195100000000 ] - [ -0.0003616600000000, -0.0027953400000000, 0.0005348800000000 ] - [ -0.0042065100000000, 0.0001304100000000, -0.0005981000000000 ] - [ 0.0018277600000000, -0.0000911900000000, 0.0099147100000000 ] - [ -0.0011081400000000, 0.0015033800000000, -0.0008466500000000 ] - [ -0.0071495500000000, 0.0012240700000000, -0.0013734400000000 ] - [ 0.0014340400000000, -0.0028791600000000, -0.0013340900000000 ] - [ -0.0006338500000000, 0.0023810700000000, 0.0001954800000000 ] - [ -0.0007665900000000, -0.0007522200000000, -0.0005142500000000 ] - [ 0.0021837100000000, -0.0013519700000000, 0.0024410400000000 ] - [ 0.0042203600000000, 0.0042090600000000, 0.0006233800000000 ] - [ -0.0028001300000000, -0.0004007300000000, -0.0008801700000000 ] - [ 0.0044570100000000, 0.0000193800000000, 0.0064389100000000 ] - [ -0.0061016100000000, 0.0071753800000000, 0.0015973000000000 ] - [ 0.0003472200000000, -0.0006530400000000, 0.0001525300000000 ] - [ 0.0024773200000000, -0.0002949300000000, 0.0003626300000000 ] - [ 0.0011907000000000, 0.0021489900000000, -0.0011245700000000 ] - [ 0.0013357800000000, 0.0006305000000000, 0.0000090300000000 ] - [ 0.0013484800000000, -0.0012067200000000, -0.0002437500000000 ] - [ -0.0008819700000000, 0.0006643800000000, -0.0004488700000000 ] - [ 0.0003035500000000, 0.0005334600000000, -0.0001962400000000 ] - [ -0.0001932300000000, 0.0005991800000000, -0.0001114500000000 ] - [ -0.1902679200000000, -0.0262013400000000, -0.0673735500000000 ] - [ 0.0001435100000000, -0.0000815600000000, 0.0000679400000000 ] - [ -0.0000442500000000, 0.0014461500000000, -0.0004760500000000 ] - [ 0.0009818600000000, 0.0010555700000000, 0.0002039600000000 ] - [ -0.0001043900000000, -0.0016982000000000, 0.0003804600000000 ] - [ 0.0007038800000000, 0.0006932200000000, 0.0000823700000000 ] - [ 0.0032386500000000, 0.0039812500000000, 0.0004085900000000 ] - [ 0.0005926100000000, -0.0007061100000000, 0.0002233600000000 ] - [ 0.0003751600000000, 0.0005577800000000, 0.0000874300000000 ] - [ 0.0006478100000000, 0.0004088500000000, -0.0002017800000000 ] - [ 0.0000062200000000, -0.0038568400000000, 0.0003060500000000 ] - [ 0.0026613800000000, -0.0001624200000000, -0.0001476500000000 ] - [ 0.0004355500000000, -0.0015325900000000, 0.0001222500000000 ] - [ 0.0018179600000000, -0.0008142700000000, -0.0004984200000000 ] - [ 0.0020363900000000, -0.0006909100000000, 0.0021624700000000 ] - [ 0.0000549600000000, -0.0008229500000000, -0.0001066700000000 ] - [ 0.0064014900000000, -0.0049485600000000, 0.0011095100000000 ] - [ -0.0010113400000000, -0.0007294000000000, 0.0000381500000000 ] - [ 0.0026083900000000, 0.0016229700000000, 0.0004249300000000 ] - [ 0.0093387800000000, -0.0108200800000000, -0.0007708300000000 ] - [ 0.0015066600000000, 0.0000152100000000, 0.0001430200000000 ] - [ -0.0007491800000000, 0.0040457400000000, -0.0000283500000000 ] - [ 0.0018839300000000, -0.0023616000000000, -0.0015023000000000 ] - [ 0.0008679400000000, -0.0004612100000000, 0.0002151300000000 ] - [ -0.0003978900000000, 0.0003571700000000, 0.0000972600000000 ] - [ 0.0035329300000000, -0.0001553000000000, 0.0000476300000000 ] - [ 0.0002224300000000, 0.0027808500000000, -0.0006411800000000 ] - [ -0.0002718800000000, 0.0009352800000000, 0.0000954700000000 ] - [ 0.0009895200000000, -0.0025944100000000, -0.0019248900000000 ] - [ -0.0001929800000000, 0.0014261300000000, 0.0001612800000000 ] - [ -0.0492479900000000, -0.0432931900000000, 0.0027636300000000 ] - [ -0.0017040600000000, 0.0015353300000000, -0.0006052300000000 ] - [ -0.0022839900000000, -0.0008686000000000, 0.0000846300000000 ] - [ 0.0100102500000000, 0.0052821700000000, -0.0004923000000000 ] - [ -0.0006952700000000, 0.0009543100000000, 0.0000945600000000 ] - [ 0.0007778900000000, -0.0016427300000000, 0.0001693000000000 ] - [ -0.0000924200000000, 0.0006294900000000, 0.0000830300000000 ] - [ 0.0002082600000000, -0.0013719200000000, 0.0002468700000000 ] - [ 0.0014524200000000, 0.0013955200000000, 0.0002339300000000 ] - [ 0.0001336700000000, 0.0004219500000000, 0.0007471800000000 ] - [ 0.0041656700000000, -0.0014550500000000, 0.0005558600000000 ] - [ 0.0013530900000000, 0.0006831400000000, -0.0002700700000000 ] - [ 0.0000316100000000, -0.0013219500000000, -0.0004146200000000 ] - [ 0.0002019000000000, -0.0003413200000000, -0.0004853200000000 ] - [ -0.0385754500000000, 0.0006527700000000, -0.0003347900000000 ] - [ 0.0005170000000000, -0.0012959500000000, 0.0000833200000000 ] - [ 0.0034032700000000, -0.0003852500000000, -0.0001928700000000 ] - [ 0.0027434200000000, -0.0025061600000000, -0.0004086700000000 ] - [ 0.0010198100000000, 0.0000580000000000, 0.0001581900000000 ] - [ 0.0000289500000000, -0.0014622000000000, -0.0002438100000000 ] - [ 0.0018437400000000, 0.0018038600000000, -0.0019986900000000 ] - [ -0.0015557500000000, 0.0022819000000000, -0.0041131600000000 ] - [ -0.0003064200000000, 0.0020554500000000, 0.0013403900000000 ] - [ 0.0000726300000000, -0.0008777600000000, 0.0000298500000000 ] - [ 0.0014175800000000, 0.0001673700000000, 0.0001224900000000 ] - [ 0.0015205200000000, -0.0001649400000000, -0.0000331000000000 ] - [ -0.0001979500000000, 0.0006976500000000, -0.0002040200000000 ] - [ -0.0042010100000000, 0.0014051500000000, -0.0023774800000000 ] - [ 0.0012673300000000, 0.0002398300000000, 0.0009255300000000 ] - [ 0.0011707300000000, -0.0000267500000000, 0.0001235400000000 ] - [ 0.0011234600000000, -0.0051459600000000, -0.0080433000000000 ] - [ 0.0004097800000000, 0.0007710000000000, -0.0000021600000000 ] - [ -0.0017844500000000, -0.0008505900000000, -0.0010789300000000 ] - [ -0.0001707400000000, -0.0007349700000000, -0.0000368300000000 ] - [ 0.0016710600000000, 0.0001687900000000, -0.0006454800000000 ] - [ 0.0012400800000000, 0.0010813900000000, 0.0002732300000000 ] - [ -0.0001003400000000, -0.0003060400000000, -0.0000907000000000 ] - [ -0.0007091500000000, -0.0020921100000000, -0.0005748300000000 ] - [ -0.0026168900000000, -0.0017689500000000, -0.0010664100000000 ] - [ 0.0059230800000000, -0.0012833300000000, -0.0146097100000000 ] - [ 0.0012003500000000, -0.0000611500000000, -0.0002420500000000 ] - [ 0.0018481100000000, 0.0003746800000000, -0.0001102800000000 ] - [ 0.0019007500000000, 0.0024755700000000, -0.0001384400000000 ] - [ 0.0011541200000000, -0.0008265000000000, 0.0002017000000000 ] - [ 0.0002536400000000, 0.0046513800000000, 0.0001330800000000 ] - [ -0.0004011400000000, -0.0001490100000000, -0.0001225900000000 ] - [ -0.0003141700000000, 0.0009017200000000, -0.0002915200000000 ] - [ 0.0025828200000000, 0.0006822800000000, -0.0005238400000000 ] - [ 0.0009056300000000, 0.0004021200000000, 0.0000166900000000 ] - [ -0.0015677300000000, 0.0009283500000000, -0.0002035600000000 ] - [ -0.0000314700000000, -0.0007412800000000, -0.0000615600000000 ] - [ -0.0031756800000000, -0.0002942600000000, 0.0002698300000000 ] - [ -0.1408420400000000, 0.0761768500000000, 0.0741909300000000 ] - [ 0.0009378800000000, 0.0015044400000000, 0.0017523400000000 ] - [ -0.0028653900000000, -0.0012752200000000, -0.0003041700000000 ] - [ 0.0012052100000000, 0.0000304500000000, -0.0003964700000000 ] - [ -0.0059306600000000, 0.0007000200000000, 0.0007830200000000 ] - [ -0.0070367700000000, -0.0093059000000000, 0.0009842600000000 ]- atom: 51 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0010962600000000, 0.0010191900000000, 0.0006537200000000 ] - [ -0.0007031100000000, 0.0007707900000000, -0.0000113300000000 ] - [ 0.0006345800000000, 0.0009401500000000, 0.0000504000000000 ] - [ -0.0024564100000000, 0.0013414200000000, -0.0040771800000000 ] - [ -0.0006421700000000, 0.0009254100000000, -0.0000498100000000 ] - [ -0.0008890600000000, 0.0017146300000000, 0.0005773900000000 ] - [ -0.0023018500000000, -0.0048494800000000, 0.0028424200000000 ] - [ 0.0009760500000000, 0.0005378800000000, -0.0002385700000000 ] - [ 0.0001331000000000, 0.0000469000000000, 0.0001056200000000 ] - [ -0.0004105200000000, 0.0010994800000000, 0.0004056000000000 ] - [ 0.0000169600000000, -0.0001770000000000, 0.0000776800000000 ] - [ 0.0002640800000000, 0.0001267000000000, -0.0000185100000000 ] - [ -0.0006382700000000, 0.0008218600000000, 0.0001216700000000 ] - [ -0.0010882400000000, 0.0000823900000000, 0.0002839100000000 ] - [ -0.0009587600000000, -0.0003410300000000, 0.0003971700000000 ] - [ -0.0000646300000000, -0.0001762800000000, 0.0001485200000000 ] - [ 0.0055419600000000, 0.0023160000000000, -0.0020742900000000 ] - [ -0.0010078400000000, -0.0000184400000000, 0.0000309300000000 ] - [ -0.0008768500000000, -0.0002781900000000, -0.0004165900000000 ] - [ 0.0044151300000000, -0.0014021200000000, 0.0006776200000000 ] - [ 0.0006714200000000, 0.0006000000000000, 0.0000906300000000 ] - [ -0.0041841600000000, -0.0066409300000000, -0.0034821400000000 ] - [ -0.0008068000000000, 0.0017763300000000, -0.0007259100000000 ] - [ -0.0040116700000000, 0.0055043300000000, 0.0054703400000000 ] - [ 0.0032438500000000, -0.0013896500000000, -0.0002282800000000 ] - [ -0.0000033400000000, -0.0014403800000000, 0.0004352700000000 ] - [ -0.0005619100000000, 0.0018542900000000, -0.0001957200000000 ] - [ -0.0003914500000000, 0.0000876500000000, -0.0003260100000000 ] - [ -0.0019477100000000, 0.0026867600000000, 0.0002008200000000 ] - [ -0.0027379000000000, 0.0020339800000000, -0.0007037200000000 ] - [ -0.0026920800000000, -0.0001083200000000, 0.0008552800000000 ] - [ -0.0013238900000000, -0.0004606900000000, 0.0003924900000000 ] - [ 0.0021105000000000, 0.0024320500000000, 0.0014300900000000 ] - [ 0.0007101200000000, 0.0025305000000000, -0.0003834900000000 ] - [ 0.0003991400000000, 0.0018656800000000, 0.0000200500000000 ] - [ 0.0200468200000000, 0.0165645200000000, -0.0159882800000000 ] - [ 0.0001464600000000, 0.0022514100000000, -0.0003982300000000 ] - [ -0.0025681500000000, 0.0009416800000000, -0.0000175900000000 ] - [ 0.0010277100000000, 0.0007289000000000, 0.0005206700000000 ] - [ -0.0176579600000000, 0.0347962600000000, 0.0106826600000000 ] - [ -0.0023879500000000, -0.0037250200000000, -0.0003688700000000 ] - [ -0.0038912500000000, 0.0001817100000000, -0.0013094000000000 ] - [ -0.0208452600000000, -0.0022071300000000, 0.0021607800000000 ] - [ -0.0001744000000000, 0.0034307700000000, 0.0002279500000000 ] - [ 0.0013792600000000, 0.0008700500000000, 0.0001145600000000 ] - [ 0.0023199100000000, -0.0082430400000000, -0.0058126000000000 ] - [ -0.0012280200000000, 0.0007644300000000, -0.0000831200000000 ] - [ 0.0026137600000000, -0.0029340500000000, 0.0002305900000000 ] - [ -0.0015729600000000, 0.0056736800000000, -0.0023438600000000 ] - [ 0.0003714000000000, -0.0045435500000000, 0.0012742000000000 ] - [ 0.2378133300000000, -0.3997738700000000, -0.0049367700000000 ] - [ -0.0009521400000000, -0.0027869300000000, 0.0008005300000000 ] - [ -0.0012523800000000, -0.0003249900000000, 0.0000568800000000 ] - [ -0.0001228600000000, 0.0013135300000000, -0.0000507600000000 ] - [ -0.0020143100000000, 0.0014349600000000, 0.0003221300000000 ] - [ 0.0056716600000000, -0.0006254700000000, 0.0016061200000000 ] - [ 0.0007273700000000, 0.0007935300000000, -0.0003818800000000 ] - [ -0.0016817600000000, 0.0030662200000000, -0.0001272100000000 ] - [ -0.0010807200000000, 0.0021990400000000, 0.0005202200000000 ] - [ 0.0012874800000000, 0.0003679900000000, 0.0003216300000000 ] - [ -0.0023610300000000, -0.0005059400000000, -0.0005578200000000 ] - [ 0.0023356900000000, -0.0029300700000000, 0.0047161100000000 ] - [ -0.0015087900000000, 0.0020759700000000, -0.0008367400000000 ] - [ -0.0097384900000000, -0.0009305900000000, -0.0014249200000000 ] - [ 0.0029876500000000, 0.0000176700000000, -0.0007654700000000 ] - [ -0.0022007400000000, 0.0033565400000000, 0.0003946400000000 ] - [ 0.0001723800000000, 0.0021861100000000, -0.0008478200000000 ] - [ 0.0038573100000000, -0.0033028300000000, -0.0048356200000000 ] - [ 0.0045458600000000, 0.0098212200000000, 0.0017689200000000 ] - [ -0.0007244900000000, 0.0002090400000000, -0.0006328700000000 ] - [ 0.0006997200000000, 0.0001526100000000, 0.0067820900000000 ] - [ -0.0045498700000000, 0.0029482600000000, 0.0010445800000000 ] - [ 0.0010009400000000, -0.0010393900000000, 0.0001630400000000 ] - [ 0.0011932700000000, 0.0002568100000000, 0.0002114000000000 ] - [ -0.0000022000000000, 0.0021834400000000, -0.0008393200000000 ] - [ 0.0005569200000000, 0.0008331500000000, 0.0000569600000000 ] - [ 0.0008484200000000, -0.0010289000000000, -0.0001486200000000 ] - [ 0.0003775200000000, -0.0014796600000000, 0.0015659400000000 ] - [ 0.0004984500000000, -0.0008919100000000, 0.0000481700000000 ] - [ -0.0013346400000000, -0.0006181600000000, 0.0002067700000000 ] - [ -0.0737717200000000, 0.0254946500000000, -0.0233323100000000 ] - [ -0.0002861900000000, -0.0004791900000000, 0.0000674000000000 ] - [ -0.0007639900000000, 0.0002567900000000, -0.0002976400000000 ] - [ -0.0005754600000000, 0.0026534200000000, -0.0006066200000000 ] - [ 0.0012480200000000, -0.0014816600000000, 0.0006320700000000 ] - [ -0.0005192800000000, 0.0000561900000000, -0.0001251200000000 ] - [ -0.0104749200000000, 0.0009725600000000, 0.0013477200000000 ] - [ 0.0008238000000000, -0.0008878400000000, 0.0002196100000000 ] - [ -0.0005353900000000, -0.0003731900000000, -0.0002485400000000 ] - [ 0.0005076300000000, -0.0003363100000000, -0.0002047900000000 ] - [ 0.0013618900000000, -0.0013783100000000, 0.0000393000000000 ] - [ 0.0013147600000000, 0.0003050400000000, -0.0001183500000000 ] - [ 0.0009387400000000, -0.0020616400000000, 0.0001842900000000 ] - [ 0.0015765400000000, -0.0001443300000000, -0.0003804300000000 ] - [ 0.0024929400000000, 0.0001874800000000, 0.0023002100000000 ] - [ -0.0000875200000000, -0.0015203200000000, -0.0002615800000000 ] - [ 0.0093747400000000, -0.0046422300000000, 0.0015610900000000 ] - [ 0.0009688100000000, -0.0013236700000000, -0.0000177400000000 ] - [ -0.0001425200000000, 0.0005166900000000, -0.0002147700000000 ] - [ 0.0051280200000000, -0.0019061100000000, -0.0001785200000000 ] - [ 0.0006082300000000, 0.0003937100000000, 0.0000752600000000 ] - [ -0.0008371200000000, -0.0075053900000000, 0.0017165700000000 ] - [ 0.0014410200000000, -0.0007480100000000, -0.0009133300000000 ] - [ 0.0003717400000000, -0.0002405600000000, 0.0001627400000000 ] - [ -0.0009742400000000, -0.0018426500000000, -0.0000090800000000 ] - [ 0.0021225300000000, 0.0004707100000000, 0.0001079400000000 ] - [ -0.0010827700000000, 0.0001507200000000, -0.0000993400000000 ] - [ -0.0007510000000000, -0.0007879800000000, 0.0001052600000000 ] - [ -0.0002166200000000, 0.0003165900000000, -0.0006866400000000 ] - [ -0.0012711900000000, -0.0009006200000000, -0.0003480200000000 ] - [ 0.0126366800000000, 0.1791531400000000, -0.0071375700000000 ] - [ -0.0008767300000000, 0.0000603100000000, -0.0000580600000000 ] - [ 0.0015867200000000, -0.0032054800000000, 0.0007973800000000 ] - [ 0.0041807000000000, 0.0030616800000000, -0.0001027100000000 ] - [ -0.0008619800000000, -0.0029399700000000, -0.0000226200000000 ] - [ 0.0013593300000000, -0.0017417600000000, 0.0000373500000000 ] - [ -0.0006757300000000, -0.0007709700000000, 0.0001853500000000 ] - [ 0.0012948400000000, -0.0020426000000000, 0.0004711300000000 ] - [ 0.0006275200000000, 0.0004248100000000, 0.0000425000000000 ] - [ -0.0003637000000000, -0.0009303000000000, 0.0010316800000000 ] - [ 0.0029054000000000, -0.0004443100000000, 0.0004259400000000 ] - [ 0.0006202800000000, -0.0002657900000000, -0.0000597000000000 ] - [ 0.0015234400000000, -0.0023210900000000, -0.0006597700000000 ] - [ 0.0026359800000000, 0.0006891500000000, -0.0010642400000000 ] - [ -0.0195045900000000, 0.0480832900000000, -0.0483032600000000 ] - [ 0.0008691300000000, -0.0017782100000000, 0.0001380000000000 ] - [ 0.0039537700000000, 0.0018261300000000, -0.0004029800000000 ] - [ 0.0033312900000000, -0.0023314200000000, -0.0003920700000000 ] - [ 0.0011152200000000, -0.0002857000000000, 0.0001901000000000 ] - [ 0.0011746200000000, -0.0040610400000000, -0.0001632300000000 ] - [ 0.0003246800000000, 0.0010425100000000, -0.0008745000000000 ] - [ -0.0038178900000000, -0.0003089900000000, 0.0110711100000000 ] - [ -0.0011655400000000, 0.0003327100000000, 0.0007739500000000 ] - [ 0.0011277600000000, -0.0013072300000000, 0.0001604000000000 ] - [ 0.0015478800000000, 0.0014398500000000, 0.0003210000000000 ] - [ 0.0007823600000000, 0.0000813900000000, -0.0000714400000000 ] - [ -0.0008624000000000, -0.0004849400000000, -0.0003123200000000 ] - [ -0.0020463300000000, 0.0016316900000000, -0.0015072800000000 ] - [ 0.0004394500000000, 0.0000361500000000, 0.0008386300000000 ] - [ 0.0013083300000000, -0.0005926300000000, 0.0000117300000000 ] - [ 0.0024712200000000, -0.0048190000000000, -0.0084595100000000 ] - [ -0.0011821000000000, -0.0008706800000000, -0.0001172000000000 ] - [ -0.0015306500000000, -0.0022984400000000, -0.0021793400000000 ] - [ 0.0007014200000000, -0.0012355600000000, -0.0001695100000000 ] - [ 0.0007970600000000, 0.0010667200000000, -0.0002898500000000 ] - [ -0.0003186000000000, -0.0000255800000000, 0.0000545900000000 ] - [ 0.0003412900000000, -0.0009547200000000, -0.0002605800000000 ] - [ 0.0014387100000000, -0.0008827400000000, -0.0008731600000000 ] - [ -0.0015454200000000, -0.0021200400000000, -0.0008643800000000 ] - [ 0.0019716900000000, 0.0021403800000000, -0.0066735900000000 ] - [ 0.0005644800000000, 0.0003119200000000, -0.0001307900000000 ] - [ -0.0016556100000000, 0.0022681300000000, -0.0001421300000000 ] - [ -0.0013083000000000, -0.0004641700000000, -0.0003006700000000 ] - [ 0.0005694000000000, -0.0006473200000000, 0.0000426000000000 ] - [ -0.0017534500000000, 0.0022533600000000, -0.0000870700000000 ] - [ 0.0003075700000000, -0.0015065600000000, -0.0002357600000000 ] - [ -0.0027964800000000, 0.0009009500000000, 0.0013527800000000 ] - [ 0.0006954300000000, 0.0002969300000000, -0.0002018500000000 ] - [ -0.0006735600000000, -0.0001934900000000, -0.0000196400000000 ] - [ -0.0019461800000000, -0.0006879300000000, 0.0003521300000000 ] - [ -0.0004162600000000, -0.0017945800000000, 0.0001222900000000 ] - [ -0.0037635400000000, -0.0021986300000000, 0.0001249200000000 ] - [ -0.1365887000000000, 0.1224723700000000, 0.0844963300000000 ] - [ -0.0017849200000000, 0.0008840700000000, -0.0002147800000000 ] - [ 0.0004446700000000, 0.0067393100000000, 0.0020969500000000 ] - [ 0.0010945800000000, -0.0015080700000000, -0.0005843600000000 ] - [ -0.0047466200000000, 0.0039488200000000, 0.0027174100000000 ] - [ -0.0046905600000000, -0.0137002000000000, -0.0008227800000000 ]- atom: 51 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0011602700000000, -0.0009844800000000, -0.0004280100000000 ] - [ 0.0007032100000000, -0.0007709100000000, 0.0001268300000000 ] - [ -0.0005115600000000, -0.0007811900000000, 0.0004075400000000 ] - [ 0.0023407300000000, -0.0014961000000000, 0.0045615100000000 ] - [ 0.0003380700000000, -0.0011174100000000, 0.0000849400000000 ] - [ 0.0010843800000000, -0.0017399600000000, -0.0001175200000000 ] - [ 0.0023090400000000, 0.0048494400000000, -0.0027279700000000 ] - [ -0.0009143000000000, -0.0005671400000000, 0.0004624300000000 ] - [ -0.0001344100000000, -0.0000474100000000, 0.0000111600000000 ] - [ 0.0004871400000000, -0.0012820400000000, 0.0000528800000000 ] - [ 0.0002884800000000, 0.0003690500000000, -0.0000434100000000 ] - [ -0.0002629600000000, -0.0001259600000000, 0.0000820000000000 ] - [ 0.0006412500000000, -0.0008219400000000, -0.0000090400000000 ] - [ 0.0010309100000000, -0.0001192000000000, -0.0000589100000000 ] - [ 0.0007621100000000, 0.0003679200000000, 0.0000608100000000 ] - [ -0.0000088500000000, 0.0003577500000000, 0.0003109200000000 ] - [ -0.0055059200000000, -0.0023800400000000, 0.0022798900000000 ] - [ 0.0010647600000000, 0.0000544000000000, 0.0001928500000000 ] - [ 0.0008587700000000, 0.0006410600000000, 0.0004513500000000 ] - [ -0.0044158800000000, 0.0014550500000000, -0.0004506600000000 ] - [ -0.0003498500000000, -0.0007660000000000, -0.0000538200000000 ] - [ 0.0041900500000000, 0.0066074000000000, 0.0035409400000000 ] - [ 0.0008181300000000, -0.0021318600000000, 0.0007545900000000 ] - [ 0.0037080400000000, -0.0053935500000000, -0.0054822900000000 ] - [ -0.0033950300000000, 0.0000957700000000, -0.0002702100000000 ] - [ -0.0002758400000000, 0.0017726600000000, -0.0004851300000000 ] - [ 0.0018450300000000, -0.0029870200000000, 0.0000851900000000 ] - [ 0.0015759100000000, 0.0004256600000000, -0.0001722000000000 ] - [ 0.0019198100000000, -0.0026507800000000, 0.0006019400000000 ] - [ 0.0023918600000000, -0.0037037300000000, 0.0005977300000000 ] - [ 0.0010729300000000, -0.0004234100000000, -0.0009648900000000 ] - [ 0.0013510000000000, 0.0004262100000000, 0.0004127200000000 ] - [ -0.0021532300000000, -0.0024378300000000, -0.0006160400000000 ] - [ -0.0017535000000000, -0.0017483000000000, -0.0001144100000000 ] - [ -0.0000486500000000, -0.0001993200000000, -0.0001284800000000 ] - [ -0.0205862400000000, -0.0167336000000000, 0.0159678900000000 ] - [ -0.0001449000000000, -0.0022071400000000, 0.0011978000000000 ] - [ 0.0012902300000000, 0.0001910800000000, -0.0000920800000000 ] - [ -0.0010305900000000, -0.0007694900000000, 0.0002799800000000 ] - [ 0.0177047200000000, -0.0349745500000000, -0.0105004200000000 ] - [ 0.0025451000000000, 0.0041335800000000, 0.0003296700000000 ] - [ 0.0027051600000000, -0.0007005400000000, 0.0008062100000000 ] - [ 0.0209784400000000, 0.0023327700000000, -0.0013595400000000 ] - [ 0.0017939800000000, -0.0028850500000000, -0.0003279900000000 ] - [ -0.0009597400000000, -0.0007851400000000, -0.0001596400000000 ] - [ -0.0021659200000000, 0.0095102100000000, 0.0052816700000000 ] - [ 0.0010741100000000, -0.0011787100000000, 0.0000422000000000 ] - [ -0.0015656200000000, 0.0021541500000000, -0.0007260300000000 ] - [ 0.0018079500000000, -0.0067083700000000, 0.0012098900000000 ] - [ 0.0012694600000000, 0.0048856800000000, -0.0005926000000000 ] - [ -0.2278139600000000, 0.4039667100000000, -0.0030986500000000 ] - [ 0.0021013300000000, 0.0015427000000000, -0.0001312200000000 ] - [ 0.0019409400000000, -0.0001957200000000, 0.0003088600000000 ] - [ 0.0000080600000000, -0.0021423500000000, 0.0004036400000000 ] - [ 0.0008670300000000, -0.0001956400000000, 0.0003486500000000 ] - [ -0.0049577900000000, 0.0004878600000000, -0.0028744000000000 ] - [ -0.0009814900000000, 0.0002443300000000, -0.0007551800000000 ] - [ 0.0017987800000000, -0.0022393200000000, 0.0004823700000000 ] - [ 0.0003215100000000, -0.0025244300000000, -0.0001655500000000 ] - [ -0.0017966800000000, -0.0019681400000000, 0.0003504300000000 ] - [ 0.0013123500000000, 0.0007992900000000, -0.0005817100000000 ] - [ -0.0031113600000000, 0.0021786700000000, -0.0058778200000000 ] - [ 0.0025564900000000, -0.0023692700000000, -0.0003038200000000 ] - [ 0.0092804100000000, 0.0003635700000000, 0.0001531400000000 ] - [ -0.0027941400000000, -0.0006509200000000, -0.0005115100000000 ] - [ 0.0015142600000000, -0.0028345800000000, -0.0000310100000000 ] - [ -0.0008770600000000, -0.0020431300000000, -0.0004199000000000 ] - [ -0.0033536200000000, 0.0049288200000000, 0.0055211400000000 ] - [ -0.0037658000000000, -0.0090024700000000, -0.0028825000000000 ] - [ 0.0011539600000000, 0.0003364500000000, -0.0006398900000000 ] - [ -0.0023370400000000, -0.0005274500000000, -0.0061165300000000 ] - [ 0.0053330300000000, -0.0026357500000000, -0.0007000200000000 ] - [ -0.0003938100000000, 0.0013512500000000, 0.0000062500000000 ] - [ -0.0004784700000000, 0.0000989900000000, 0.0000354200000000 ] - [ 0.0008706100000000, -0.0019118300000000, 0.0010919600000000 ] - [ -0.0013483900000000, -0.0004010300000000, 0.0000013500000000 ] - [ -0.0007029800000000, 0.0008786700000000, 0.0001041000000000 ] - [ -0.0001811300000000, 0.0017586700000000, -0.0016821000000000 ] - [ -0.0004263100000000, 0.0013752100000000, -0.0003859800000000 ] - [ 0.0002369200000000, 0.0005670200000000, -0.0001957400000000 ] - [ 0.0730829700000000, -0.0246348700000000, 0.0235959700000000 ] - [ -0.0002891500000000, 0.0008482300000000, 0.0000969800000000 ] - [ 0.0013923500000000, -0.0012307100000000, 0.0003294200000000 ] - [ -0.0008196800000000, -0.0017546100000000, -0.0000960600000000 ] - [ -0.0006733600000000, 0.0011153600000000, -0.0004691000000000 ] - [ 0.0004817600000000, 0.0008454500000000, 0.0001826600000000 ] - [ 0.0115568400000000, -0.0009209700000000, -0.0013276700000000 ] - [ -0.0009744500000000, 0.0011946000000000, -0.0003395200000000 ] - [ 0.0003431000000000, 0.0000915200000000, 0.0001284900000000 ] - [ -0.0004219400000000, 0.0007224000000000, -0.0002348900000000 ] - [ -0.0013065700000000, 0.0015815000000000, -0.0000834300000000 ] - [ -0.0010970400000000, -0.0008121100000000, 0.0002320100000000 ] - [ -0.0003878000000000, 0.0022523800000000, -0.0003057300000000 ] - [ -0.0013722900000000, 0.0001878900000000, 0.0003356400000000 ] - [ -0.0023448400000000, -0.0001682200000000, -0.0006876900000000 ] - [ 0.0000285000000000, 0.0013157400000000, 0.0002181000000000 ] - [ -0.0097145100000000, 0.0049415500000000, -0.0019057000000000 ] - [ -0.0005229500000000, 0.0009375000000000, -0.0000982400000000 ] - [ -0.0013219000000000, -0.0012607300000000, -0.0004848200000000 ] - [ -0.0052732800000000, 0.0013290100000000, 0.0000549200000000 ] - [ -0.0007215400000000, 0.0003285200000000, -0.0000965700000000 ] - [ 0.0010465200000000, 0.0083456700000000, -0.0014615600000000 ] - [ -0.0014770900000000, 0.0000669400000000, 0.0010833100000000 ] - [ -0.0009786400000000, -0.0000721200000000, 0.0000048900000000 ] - [ 0.0004043200000000, 0.0013555200000000, -0.0000199000000000 ] - [ -0.0014577900000000, -0.0010780000000000, 0.0001349300000000 ] - [ 0.0011704100000000, 0.0014950500000000, -0.0005992200000000 ] - [ 0.0004289900000000, 0.0003290800000000, 0.0000058700000000 ] - [ -0.0005562200000000, -0.0007870400000000, 0.0007499400000000 ] - [ 0.0008167600000000, 0.0007159400000000, 0.0000111700000000 ] - [ -0.0151334800000000, -0.1871231000000000, 0.0072643200000000 ] - [ 0.0012066500000000, 0.0003875100000000, 0.0001716900000000 ] - [ -0.0015442000000000, 0.0023124100000000, -0.0007452400000000 ] - [ -0.0035901500000000, -0.0031133300000000, 0.0002073700000000 ] - [ 0.0002053000000000, 0.0033602400000000, 0.0002608700000000 ] - [ -0.0020706400000000, 0.0013882500000000, 0.0002071500000000 ] - [ 0.0004773800000000, -0.0001093200000000, 0.0000605200000000 ] - [ -0.0014412800000000, 0.0021939700000000, -0.0005146800000000 ] - [ -0.0001013400000000, 0.0005668200000000, -0.0000253900000000 ] - [ 0.0004559400000000, 0.0008059200000000, 0.0005819600000000 ] - [ -0.0025696800000000, 0.0003750200000000, -0.0006909200000000 ] - [ -0.0006914600000000, 0.0001515500000000, 0.0000778100000000 ] - [ -0.0016150900000000, 0.0026211300000000, 0.0003800600000000 ] - [ -0.0011731000000000, 0.0000641400000000, 0.0003704600000000 ] - [ 0.0196745900000000, -0.0486853200000000, 0.0501072600000000 ] - [ -0.0000772400000000, 0.0013456500000000, -0.0000795300000000 ] - [ -0.0044760100000000, -0.0028064800000000, 0.0004148800000000 ] - [ -0.0032084500000000, 0.0016093000000000, 0.0003692800000000 ] - [ -0.0017804800000000, 0.0008930300000000, 0.0000540600000000 ] - [ -0.0003942700000000, 0.0045057600000000, 0.0002216100000000 ] - [ -0.0000264700000000, -0.0013089100000000, 0.0004287200000000 ] - [ 0.0042120600000000, 0.0004246600000000, -0.0115273800000000 ] - [ 0.0012252400000000, -0.0001946000000000, 0.0008290900000000 ] - [ -0.0013359900000000, 0.0012591200000000, -0.0002056300000000 ] - [ -0.0014781600000000, -0.0013179700000000, -0.0003026900000000 ] - [ -0.0006313100000000, -0.0003882100000000, -0.0000509600000000 ] - [ 0.0004837500000000, 0.0003626500000000, -0.0001273300000000 ] - [ 0.0021083200000000, -0.0017369100000000, 0.0015142700000000 ] - [ -0.0005820100000000, -0.0000511200000000, 0.0007681100000000 ] - [ -0.0015290300000000, 0.0011009100000000, 0.0001009500000000 ] - [ -0.0027696800000000, 0.0051242700000000, 0.0080264300000000 ] - [ 0.0013193400000000, 0.0008630000000000, 0.0001360100000000 ] - [ 0.0011861400000000, 0.0023124000000000, 0.0020347400000000 ] - [ -0.0010483400000000, 0.0013043600000000, -0.0000927100000000 ] - [ -0.0008864400000000, -0.0014516000000000, -0.0001533800000000 ] - [ 0.0009801700000000, -0.0004017400000000, 0.0001859300000000 ] - [ -0.0003089600000000, 0.0016336400000000, 0.0004220800000000 ] - [ -0.0012236900000000, 0.0011369500000000, 0.0006112500000000 ] - [ 0.0009924200000000, 0.0021824700000000, 0.0009809800000000 ] - [ -0.0016281500000000, -0.0021920700000000, 0.0065599300000000 ] - [ -0.0011150500000000, -0.0005012000000000, 0.0000120000000000 ] - [ 0.0015792100000000, -0.0027486900000000, -0.0001944200000000 ] - [ 0.0018757100000000, 0.0009463500000000, 0.0002717600000000 ] - [ -0.0004774900000000, 0.0003479900000000, -0.0003215000000000 ] - [ 0.0016778300000000, -0.0021133500000000, 0.0001060200000000 ] - [ -0.0001942600000000, 0.0020779200000000, 0.0001112500000000 ] - [ 0.0026566600000000, -0.0009032600000000, -0.0013371400000000 ] - [ -0.0003190800000000, -0.0005973600000000, -0.0001307300000000 ] - [ 0.0002279400000000, 0.0005802400000000, -0.0000973300000000 ] - [ 0.0026581200000000, 0.0004361800000000, -0.0003854200000000 ] - [ 0.0001958500000000, 0.0015374600000000, -0.0003885900000000 ] - [ 0.0037268200000000, 0.0013971800000000, 0.0001178900000000 ] - [ 0.1286309300000000, -0.1169919400000000, -0.0787599600000000 ] - [ 0.0016882700000000, -0.0007624900000000, 0.0018260900000000 ] - [ -0.0005470000000000, -0.0084083700000000, -0.0028160200000000 ] - [ 0.0002890800000000, 0.0006062800000000, -0.0001158600000000 ] - [ 0.0047915100000000, -0.0031718000000000, -0.0024853000000000 ] - [ 0.0038181100000000, 0.0133360900000000, 0.0010350900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000110600000000, 0.0001378800000000, -0.0001094300000000 ] - [ 0.0000091400000000, -0.0000016100000000, 0.0001588300000000 ] - [ 0.0001313900000000, -0.0000280100000000, 0.0000756400000000 ] - [ 0.0011679000000000, -0.0024084000000000, 0.0033841600000000 ] - [ -0.0002090100000000, -0.0000361600000000, 0.0000820800000000 ] - [ 0.0000373800000000, 0.0002281300000000, 0.0006057500000000 ] - [ -0.0026301700000000, -0.0009967800000000, 0.0041083600000000 ] - [ 0.0000302800000000, -0.0000095100000000, 0.0003124200000000 ] - [ -0.0000590100000000, 0.0000242300000000, -0.0000572100000000 ] - [ -0.0000121000000000, 0.0000119700000000, 0.0001558300000000 ] - [ 0.0002175200000000, 0.0000668700000000, -0.0000643800000000 ] - [ -0.0000158400000000, 0.0000479900000000, 0.0001460400000000 ] - [ -0.0000078000000000, 0.0000273900000000, -0.0000403600000000 ] - [ -0.0001394000000000, -0.0000058400000000, 0.0002740400000000 ] - [ -0.0002798700000000, -0.0000355500000000, -0.0000835500000000 ] - [ 0.0000028600000000, 0.0000484800000000, 0.0003023300000000 ] - [ -0.0037463000000000, -0.0058746100000000, -0.0018425000000000 ] - [ -0.0000306500000000, 0.0000030400000000, -0.0000032100000000 ] - [ 0.0001369200000000, 0.0001421700000000, 0.0006662900000000 ] - [ 0.0027198100000000, 0.0035513900000000, 0.0058211200000000 ] - [ 0.0002194000000000, -0.0000683100000000, 0.0001128400000000 ] - [ 0.0082282200000000, 0.0002739600000000, -0.0023353200000000 ] - [ 0.0002335100000000, -0.0002640200000000, -0.0006300700000000 ] - [ -0.0018151200000000, 0.0039849800000000, -0.0009592000000000 ] - [ 0.0001807700000000, -0.0002655100000000, -0.0003383900000000 ] - [ -0.0016687200000000, -0.0006732300000000, -0.0003275600000000 ] - [ 0.0006322400000000, -0.0004328900000000, -0.0001643100000000 ] - [ 0.0008492000000000, 0.0003029400000000, -0.0001281700000000 ] - [ -0.0003645000000000, 0.0005419100000000, 0.0001580800000000 ] - [ -0.0004792500000000, -0.0011042700000000, 0.0000335800000000 ] - [ -0.0017196400000000, 0.0007967200000000, -0.0005152200000000 ] - [ 0.0000180200000000, -0.0000580700000000, 0.0005551400000000 ] - [ -0.0000827200000000, -0.0011550100000000, 0.0018607000000000 ] - [ -0.0005870200000000, 0.0004826700000000, -0.0001830400000000 ] - [ 0.0002611000000000, 0.0008341700000000, -0.0001169200000000 ] - [ -0.0032520200000000, -0.0096117300000000, 0.0015002000000000 ] - [ -0.0002641100000000, 0.0009337900000000, 0.0010546700000000 ] - [ -0.0003560400000000, 0.0004445500000000, 0.0000362100000000 ] - [ 0.0000428200000000, -0.0000686700000000, 0.0002548900000000 ] - [ -0.0069179100000000, 0.0188750300000000, 0.0025697000000000 ] - [ -0.0006724200000000, -0.0006428600000000, -0.0000636700000000 ] - [ 0.0013341500000000, -0.0008599500000000, -0.0006476600000000 ] - [ 0.0089983100000000, -0.0035549700000000, -0.0117332500000000 ] - [ 0.0007446400000000, 0.0006436800000000, 0.0001582800000000 ] - [ 0.0001698600000000, -0.0000021500000000, -0.0001236200000000 ] - [ 0.0006312600000000, 0.0053438900000000, 0.0482567700000000 ] - [ -0.0001882300000000, -0.0001399500000000, -0.0000946000000000 ] - [ 0.0018195200000000, 0.0000337700000000, -0.0003923100000000 ] - [ 0.0003067200000000, -0.0007835800000000, -0.0004286600000000 ] - [ 0.0017260400000000, 0.0026647900000000, -0.0017371700000000 ] - [ 0.0014754400000000, -0.0043983500000000, -0.4334025200000000 ] - [ 0.0010217900000000, -0.0008993900000000, 0.0012799800000000 ] - [ 0.0001171400000000, -0.0002788300000000, 0.0003600000000000 ] - [ 0.0000732200000000, -0.0003815500000000, 0.0000545300000000 ] - [ -0.0007568400000000, 0.0007542100000000, 0.0002401800000000 ] - [ -0.0004329500000000, -0.0004626300000000, -0.0023443200000000 ] - [ 0.0000760600000000, 0.0007069400000000, -0.0006715200000000 ] - [ -0.0001692700000000, 0.0007475700000000, 0.0008798900000000 ] - [ -0.0000972500000000, -0.0003028100000000, 0.0004277900000000 ] - [ -0.0002080200000000, -0.0006816200000000, 0.0001615700000000 ] - [ -0.0006309500000000, 0.0000592300000000, -0.0004247300000000 ] - [ -0.0098795800000000, -0.0004377100000000, 0.0011942000000000 ] - [ 0.0005937600000000, -0.0002423100000000, -0.0008508700000000 ] - [ -0.0036597100000000, -0.0008644900000000, -0.0023498700000000 ] - [ -0.0005994900000000, -0.0005686200000000, 0.0007475500000000 ] - [ -0.0004111200000000, 0.0004883900000000, 0.0000342300000000 ] - [ -0.0003563600000000, 0.0003517700000000, -0.0004705500000000 ] - [ 0.0005557300000000, 0.0080851300000000, 0.0087459400000000 ] - [ 0.0015296200000000, 0.0029160900000000, 0.0004841100000000 ] - [ -0.0001172900000000, 0.0002201000000000, -0.0004728900000000 ] - [ 0.0044518100000000, -0.0054488100000000, 0.0085533800000000 ] - [ 0.0020840900000000, -0.0011259000000000, -0.0013527700000000 ] - [ 0.0003415000000000, 0.0000805000000000, 0.0002364300000000 ] - [ 0.0002968300000000, 0.0001954500000000, 0.0001318800000000 ] - [ 0.0025086500000000, 0.0017008400000000, -0.0009482300000000 ] - [ -0.0004350300000000, 0.0002732900000000, 0.0000434100000000 ] - [ -0.0000201100000000, -0.0000059200000000, 0.0000213700000000 ] - [ 0.0000867300000000, 0.0001595200000000, -0.0005407300000000 ] - [ 0.0001173000000000, 0.0000986700000000, -0.0001770500000000 ] - [ -0.0005242600000000, -0.0000816600000000, 0.0000046300000000 ] - [ 0.0691183900000000, 0.0142231700000000, 0.0694417900000000 ] - [ -0.0003409300000000, 0.0001890600000000, 0.0001828400000000 ] - [ 0.0006718800000000, -0.0001322700000000, -0.0002387400000000 ] - [ -0.0014861100000000, 0.0006184300000000, -0.0010161000000000 ] - [ 0.0002868800000000, 0.0000247300000000, -0.0003195100000000 ] - [ -0.0001438500000000, 0.0004165300000000, 0.0000275700000000 ] - [ 0.0018438400000000, 0.0012265500000000, 0.0007964000000000 ] - [ -0.0000157500000000, 0.0000876700000000, 0.0002467100000000 ] - [ -0.0001681300000000, -0.0001835200000000, 0.0000857900000000 ] - [ 0.0001007400000000, 0.0001403600000000, -0.0001197300000000 ] - [ -0.0001058400000000, 0.0007793600000000, 0.0001551100000000 ] - [ -0.0000772800000000, -0.0002073100000000, -0.0000510300000000 ] - [ 0.0003360700000000, -0.0001876200000000, -0.0000038600000000 ] - [ 0.0004350300000000, -0.0001436600000000, -0.0000772500000000 ] - [ 0.0001190900000000, 0.0005611600000000, 0.0023088600000000 ] - [ -0.0001004800000000, -0.0000872300000000, -0.0000619700000000 ] - [ 0.0048244900000000, -0.0036866800000000, 0.0021795500000000 ] - [ 0.0005049100000000, -0.0004716400000000, -0.0002397000000000 ] - [ -0.0011404200000000, -0.0009221600000000, -0.0002792700000000 ] - [ -0.0038307200000000, 0.0032633000000000, 0.0013625100000000 ] - [ 0.0000375500000000, 0.0003604900000000, -0.0000241600000000 ] - [ -0.0002080700000000, 0.0009479500000000, -0.0002098100000000 ] - [ -0.0000414300000000, -0.0005371000000000, 0.0013405100000000 ] - [ -0.0003287400000000, -0.0001303100000000, -0.0001070100000000 ] - [ -0.0003634700000000, -0.0006605100000000, -0.0000924900000000 ] - [ 0.0006155000000000, -0.0001666900000000, 0.0001305000000000 ] - [ -0.0000605300000000, 0.0006477600000000, -0.0003115400000000 ] - [ -0.0001871800000000, -0.0002393900000000, 0.0000858500000000 ] - [ 0.0016588600000000, -0.0014064500000000, -0.0003838900000000 ] - [ -0.0000643400000000, 0.0000897100000000, -0.0003541600000000 ] - [ -0.0019527400000000, -0.0080118400000000, 0.0374989200000000 ] - [ 0.0004937900000000, -0.0020126500000000, -0.0012088200000000 ] - [ 0.0001095500000000, -0.0004356500000000, 0.0002827900000000 ] - [ -0.0042343500000000, -0.0017403700000000, 0.0011105600000000 ] - [ -0.0003220700000000, 0.0002448600000000, 0.0001144700000000 ] - [ -0.0007238700000000, 0.0001899300000000, 0.0000863100000000 ] - [ -0.0001511000000000, -0.0004889600000000, 0.0001459400000000 ] - [ 0.0000520900000000, -0.0001102200000000, -0.0000900800000000 ] - [ 0.0003655500000000, 0.0005208600000000, 0.0000154200000000 ] - [ 0.0000595200000000, -0.0001304600000000, 0.0006921500000000 ] - [ -0.0006305200000000, 0.0002253100000000, -0.0001719000000000 ] - [ -0.0000358200000000, -0.0001323000000000, 0.0000397200000000 ] - [ 0.0000549900000000, 0.0001028700000000, -0.0001744100000000 ] - [ -0.0019304800000000, 0.0019843200000000, -0.0022336400000000 ] - [ 0.0018309800000000, -0.0526057600000000, 0.2138574700000000 ] - [ 0.0003964000000000, -0.0002483600000000, 0.0000578300000000 ] - [ 0.0013084900000000, -0.0000320800000000, 0.0004258300000000 ] - [ 0.0010775800000000, -0.0007836500000000, -0.0000218300000000 ] - [ -0.0003177800000000, 0.0002971000000000, 0.0001527500000000 ] - [ 0.0005225500000000, -0.0008122500000000, -0.0000479900000000 ] - [ 0.0004185000000000, -0.0001373700000000, 0.0011208300000000 ] - [ 0.0011785100000000, 0.0017997900000000, -0.0049431700000000 ] - [ -0.0001410800000000, -0.0004267000000000, 0.0000952000000000 ] - [ -0.0000570000000000, -0.0001283700000000, -0.0000039700000000 ] - [ -0.0003485400000000, 0.0000581500000000, -0.0002681300000000 ] - [ 0.0000981100000000, -0.0001316900000000, -0.0002292200000000 ] - [ -0.0001792200000000, -0.0000552300000000, -0.0000805200000000 ] - [ -0.0030761600000000, 0.0056108800000000, -0.0127707900000000 ] - [ -0.0000144900000000, -0.0000077600000000, 0.0006006800000000 ] - [ 0.0000909200000000, 0.0001231300000000, 0.0000796100000000 ] - [ 0.0000934700000000, -0.0014373700000000, -0.0072706600000000 ] - [ 0.0000600200000000, -0.0000609400000000, 0.0000489600000000 ] - [ -0.0003204600000000, -0.0004038400000000, -0.0013007400000000 ] - [ -0.0002563400000000, 0.0000366100000000, -0.0001041900000000 ] - [ 0.0001816100000000, 0.0000077400000000, -0.0007916400000000 ] - [ 0.0000084100000000, -0.0004079300000000, 0.0001258800000000 ] - [ -0.0000313200000000, 0.0002612700000000, -0.0001787200000000 ] - [ 0.0003651900000000, -0.0004020900000000, -0.0003477100000000 ] - [ -0.0010571000000000, 0.0017520000000000, -0.0014458500000000 ] - [ 0.0048111200000000, 0.0001336100000000, 0.0067439600000000 ] - [ -0.0001927200000000, -0.0000726700000000, -0.0001079800000000 ] - [ 0.0000143900000000, 0.0000155500000000, 0.0002826000000000 ] - [ 0.0004999800000000, 0.0005163000000000, 0.0001669100000000 ] - [ 0.0000702300000000, -0.0001534300000000, -0.0001382100000000 ] - [ 0.0001897400000000, -0.0008251200000000, 0.0010157700000000 ] - [ -0.0000900300000000, 0.0006916300000000, -0.0002178300000000 ] - [ -0.0012982800000000, -0.0015590500000000, -0.0011681900000000 ] - [ 0.0007533700000000, -0.0000389900000000, -0.0003350600000000 ] - [ -0.0002971700000000, 0.0001953600000000, -0.0000346500000000 ] - [ 0.0007959300000000, 0.0007580400000000, -0.0011929300000000 ] - [ -0.0001980900000000, -0.0002832500000000, -0.0001367200000000 ] - [ -0.0007905200000000, -0.0007955500000000, 0.0004725700000000 ] - [ -0.0716593000000000, 0.0527880500000000, 0.0852760400000000 ] - [ -0.0004158200000000, -0.0002692800000000, 0.0017864500000000 ] - [ -0.0058040700000000, -0.0107737900000000, -0.0112798400000000 ] - [ 0.0007730100000000, -0.0005560700000000, -0.0003812900000000 ] - [ 0.0080459800000000, -0.0019948400000000, -0.0093933200000000 ] - [ -0.0024770800000000, -0.0062829900000000, 0.0022014500000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000735000000000, -0.0001076100000000, 0.0003371300000000 ] - [ -0.0000092300000000, 0.0000002200000000, -0.0000418200000000 ] - [ -0.0000113500000000, 0.0001836800000000, 0.0003832700000000 ] - [ -0.0012652700000000, 0.0022247700000000, -0.0029310800000000 ] - [ -0.0000938300000000, -0.0001556500000000, -0.0000482900000000 ] - [ 0.0001597700000000, -0.0002531100000000, -0.0001501600000000 ] - [ 0.0026034800000000, 0.0010038700000000, -0.0039990400000000 ] - [ 0.0000295300000000, -0.0000238200000000, -0.0000903400000000 ] - [ 0.0000590900000000, -0.0000250600000000, 0.0001727100000000 ] - [ 0.0000894300000000, -0.0001923600000000, 0.0003031400000000 ] - [ 0.0000858700000000, 0.0001235000000000, 0.0000990600000000 ] - [ 0.0000171900000000, -0.0000472600000000, -0.0000839100000000 ] - [ 0.0000091000000000, -0.0000275500000000, 0.0001602900000000 ] - [ 0.0000831900000000, -0.0000302400000000, -0.0000507100000000 ] - [ 0.0000860500000000, 0.0000606100000000, 0.0005432400000000 ] - [ -0.0000798200000000, 0.0001330300000000, 0.0001554200000000 ] - [ 0.0037471500000000, 0.0058113100000000, 0.0020862400000000 ] - [ 0.0000888300000000, 0.0000358400000000, 0.0002279900000000 ] - [ -0.0001516300000000, 0.0002180000000000, -0.0006358700000000 ] - [ -0.0026942200000000, -0.0034435200000000, -0.0055883300000000 ] - [ 0.0000983600000000, -0.0001017200000000, -0.0000775500000000 ] - [ -0.0082520000000000, -0.0002731400000000, 0.0024283500000000 ] - [ -0.0002184700000000, -0.0000975400000000, 0.0006670400000000 ] - [ 0.0015057100000000, -0.0038338600000000, 0.0010119800000000 ] - [ -0.0003447500000000, -0.0010227000000000, -0.0001679300000000 ] - [ 0.0014004800000000, 0.0010174500000000, 0.0002821700000000 ] - [ 0.0006545600000000, -0.0006993000000000, 0.0000555800000000 ] - [ 0.0003359300000000, 0.0002121400000000, -0.0003710000000000 ] - [ 0.0003434200000000, -0.0005096900000000, 0.0006453500000000 ] - [ 0.0001346600000000, -0.0005608300000000, -0.0001479700000000 ] - [ 0.0001059800000000, -0.0013447900000000, 0.0004154200000000 ] - [ 0.0000062700000000, 0.0000233100000000, 0.0002479700000000 ] - [ 0.0000383300000000, 0.0011577500000000, -0.0010584500000000 ] - [ -0.0004555600000000, 0.0002961700000000, -0.0003164200000000 ] - [ 0.0000831000000000, 0.0008293900000000, 0.0000092300000000 ] - [ 0.0027868100000000, 0.0095137400000000, -0.0016303800000000 ] - [ 0.0002764400000000, -0.0009064600000000, -0.0002580100000000 ] - [ -0.0009291500000000, 0.0006852500000000, -0.0001472700000000 ] - [ -0.0000511100000000, 0.0000248400000000, 0.0005456200000000 ] - [ 0.0071453900000000, -0.0191584300000000, -0.0026746600000000 ] - [ 0.0008311100000000, 0.0010610900000000, 0.0000202600000000 ] - [ -0.0025247900000000, 0.0003479300000000, 0.0001547500000000 ] - [ -0.0089755000000000, 0.0035592600000000, 0.0125671500000000 ] - [ 0.0008768900000000, -0.0001079900000000, -0.0002636800000000 ] - [ 0.0002491000000000, 0.0000832700000000, 0.0000797900000000 ] - [ -0.0004806500000000, -0.0039153100000000, -0.0490762400000000 ] - [ 0.0000354800000000, -0.0002749700000000, 0.0000548100000000 ] - [ -0.0007910400000000, -0.0008148300000000, -0.0000963500000000 ] - [ -0.0000512000000000, -0.0002469300000000, -0.0007193300000000 ] - [ -0.0000858100000000, -0.0023158700000000, 0.0024223100000000 ] - [ -0.0008076500000000, -0.0038037700000000, 0.4468975700000000 ] - [ 0.0001190300000000, -0.0003374100000000, -0.0006120600000000 ] - [ 0.0005697000000000, -0.0002464800000000, 0.0000041700000000 ] - [ -0.0001954000000000, -0.0004518800000000, 0.0003003900000000 ] - [ -0.0003878000000000, 0.0004851200000000, 0.0004314300000000 ] - [ 0.0011448300000000, 0.0003280900000000, 0.0010877500000000 ] - [ -0.0003367700000000, 0.0003244600000000, -0.0004644000000000 ] - [ 0.0002944700000000, 0.0000790300000000, -0.0005250400000000 ] - [ -0.0006644200000000, -0.0000236700000000, -0.0000754100000000 ] - [ -0.0003028700000000, -0.0009235400000000, 0.0005116300000000 ] - [ -0.0004187700000000, 0.0002325700000000, -0.0007166900000000 ] - [ 0.0091769400000000, -0.0003051400000000, -0.0023390700000000 ] - [ 0.0004567800000000, -0.0000488200000000, -0.0002863500000000 ] - [ 0.0032515800000000, 0.0003198300000000, 0.0010821300000000 ] - [ 0.0007896400000000, -0.0000595300000000, -0.0020231500000000 ] - [ -0.0002711300000000, 0.0000342500000000, 0.0003310000000000 ] - [ -0.0003485800000000, -0.0002157000000000, -0.0007976600000000 ] - [ -0.0000635700000000, -0.0065393200000000, -0.0080568200000000 ] - [ -0.0007830800000000, -0.0021666400000000, -0.0016288800000000 ] - [ 0.0005495800000000, 0.0003285900000000, -0.0008000100000000 ] - [ -0.0061158200000000, 0.0051128500000000, -0.0078796900000000 ] - [ -0.0013283700000000, 0.0014534300000000, 0.0017129100000000 ] - [ 0.0002673700000000, 0.0002316900000000, -0.0000675500000000 ] - [ 0.0004186700000000, 0.0001598800000000, 0.0001182400000000 ] - [ -0.0016583800000000, -0.0014430100000000, 0.0011962900000000 ] - [ -0.0003543100000000, 0.0001622000000000, 0.0000181200000000 ] - [ 0.0001675300000000, -0.0001465100000000, -0.0000656700000000 ] - [ 0.0001023100000000, 0.0001252600000000, 0.0004329900000000 ] - [ -0.0000503800000000, 0.0003873000000000, -0.0001610200000000 ] - [ -0.0005722200000000, 0.0000302100000000, 0.0000045700000000 ] - [ -0.0682886000000000, -0.0136228400000000, -0.0696068600000000 ] - [ -0.0002334500000000, 0.0001843400000000, -0.0000182600000000 ] - [ -0.0000417100000000, -0.0008450900000000, 0.0002689400000000 ] - [ 0.0001027400000000, 0.0002771600000000, 0.0003109300000000 ] - [ 0.0002861900000000, -0.0003921000000000, 0.0004882300000000 ] - [ 0.0001120500000000, 0.0004884100000000, 0.0000333000000000 ] - [ -0.0007700600000000, -0.0011825900000000, -0.0007696200000000 ] - [ -0.0001376800000000, 0.0002187500000000, -0.0003683200000000 ] - [ -0.0000206800000000, -0.0000958200000000, -0.0002060200000000 ] - [ -0.0000184900000000, 0.0002437500000000, -0.0003186200000000 ] - [ 0.0001677100000000, -0.0005814300000000, -0.0001986700000000 ] - [ 0.0003023800000000, -0.0003003200000000, 0.0001613700000000 ] - [ 0.0002123400000000, 0.0003825300000000, -0.0001197800000000 ] - [ -0.0002291500000000, 0.0001887300000000, 0.0000321100000000 ] - [ 0.0000243500000000, -0.0005478500000000, -0.0007072200000000 ] - [ 0.0000405400000000, -0.0001149000000000, 0.0000196200000000 ] - [ -0.0052343600000000, 0.0040068900000000, -0.0025210600000000 ] - [ -0.0000638600000000, 0.0000886600000000, 0.0001197700000000 ] - [ -0.0003246900000000, 0.0001789700000000, -0.0004224600000000 ] - [ 0.0037346400000000, -0.0038519700000000, -0.0014880700000000 ] - [ -0.0001534200000000, 0.0003633600000000, -0.0000002200000000 ] - [ 0.0004042600000000, -0.0000934500000000, 0.0004736700000000 ] - [ 0.0000071500000000, -0.0001439400000000, -0.0011819200000000 ] - [ -0.0002795700000000, -0.0001811500000000, 0.0002780100000000 ] - [ -0.0002076700000000, 0.0001768500000000, 0.0000608500000000 ] - [ 0.0000474100000000, -0.0004434000000000, 0.0001160100000000 ] - [ 0.0001535200000000, 0.0009993900000000, -0.0003888500000000 ] - [ -0.0001308100000000, -0.0002194400000000, 0.0000215000000000 ] - [ -0.0024521500000000, 0.0009502300000000, 0.0004504000000000 ] - [ -0.0003868900000000, -0.0002774800000000, 0.0000171900000000 ] - [ 0.0027778600000000, 0.0096753200000000, -0.0381179100000000 ] - [ -0.0001825100000000, 0.0024926300000000, 0.0013078200000000 ] - [ -0.0000747500000000, -0.0004705600000000, -0.0002205800000000 ] - [ 0.0048279900000000, 0.0016979700000000, -0.0010075100000000 ] - [ -0.0003390500000000, 0.0001784700000000, 0.0001289800000000 ] - [ 0.0000117700000000, -0.0005459800000000, 0.0001600900000000 ] - [ -0.0000473400000000, -0.0003874400000000, 0.0001024800000000 ] - [ -0.0002011300000000, 0.0002661900000000, 0.0000465400000000 ] - [ 0.0001572000000000, 0.0004698800000000, -0.0000005700000000 ] - [ 0.0000341600000000, 0.0000059000000000, 0.0009238200000000 ] - [ 0.0009800100000000, -0.0002983100000000, -0.0000910700000000 ] - [ -0.0000383900000000, 0.0000189700000000, -0.0000226600000000 ] - [ -0.0001451500000000, 0.0001978800000000, -0.0001045300000000 ] - [ 0.0034043800000000, -0.0012446900000000, 0.0015302700000000 ] - [ -0.0021264200000000, 0.0574662500000000, -0.2268387900000000 ] - [ 0.0003938700000000, -0.0001859000000000, 0.0000027700000000 ] - [ -0.0018391100000000, -0.0009642100000000, -0.0004087100000000 ] - [ -0.0009667300000000, 0.0000612600000000, -0.0000022700000000 ] - [ -0.0003484000000000, 0.0003111500000000, 0.0000937600000000 ] - [ 0.0002553800000000, 0.0012821600000000, 0.0001124100000000 ] - [ -0.0001231500000000, -0.0001290600000000, -0.0015693500000000 ] - [ -0.0007838200000000, -0.0016342000000000, 0.0045177200000000 ] - [ 0.0002024600000000, 0.0005599100000000, 0.0015126600000000 ] - [ -0.0001559500000000, 0.0000847700000000, -0.0000415000000000 ] - [ 0.0004217900000000, 0.0000558000000000, 0.0002838800000000 ] - [ 0.0000541700000000, -0.0001740800000000, 0.0001091600000000 ] - [ -0.0001945500000000, -0.0000662900000000, -0.0003579300000000 ] - [ 0.0031532100000000, -0.0057546500000000, 0.0127179900000000 ] - [ -0.0001318600000000, -0.0000083900000000, 0.0010081400000000 ] - [ -0.0003189600000000, 0.0003852100000000, 0.0000295500000000 ] - [ -0.0003854700000000, 0.0017009500000000, 0.0068511000000000 ] - [ 0.0000768900000000, 0.0000527600000000, -0.0000313900000000 ] - [ -0.0000174800000000, 0.0004250000000000, 0.0011836000000000 ] - [ -0.0000910200000000, 0.0000364000000000, -0.0001592500000000 ] - [ -0.0002648100000000, -0.0003932600000000, 0.0003533000000000 ] - [ 0.0006604400000000, -0.0000150400000000, 0.0001171000000000 ] - [ 0.0000649900000000, 0.0004229100000000, 0.0003455700000000 ] - [ -0.0001464100000000, 0.0006575000000000, 0.0000800300000000 ] - [ 0.0005027400000000, -0.0017085200000000, 0.0015528300000000 ] - [ -0.0045060600000000, -0.0001603800000000, -0.0068952600000000 ] - [ -0.0003573600000000, -0.0001174700000000, -0.0000132500000000 ] - [ -0.0000842200000000, -0.0004999800000000, -0.0006209100000000 ] - [ 0.0000710900000000, -0.0000286100000000, -0.0001999000000000 ] - [ 0.0000199600000000, -0.0001451500000000, -0.0001417000000000 ] - [ -0.0002579900000000, 0.0009613500000000, -0.0009974400000000 ] - [ 0.0002019100000000, -0.0001181500000000, 0.0000923200000000 ] - [ 0.0011814700000000, 0.0015756900000000, 0.0011788200000000 ] - [ -0.0003809300000000, -0.0002605700000000, 0.0000032000000000 ] - [ -0.0001460000000000, 0.0001922400000000, -0.0000846700000000 ] - [ -0.0000764000000000, -0.0010132800000000, 0.0011561200000000 ] - [ -0.0000214100000000, 0.0000344000000000, -0.0001307400000000 ] - [ 0.0007740600000000, 0.0000045700000000, -0.0002251900000000 ] - [ 0.0685899900000000, -0.0500213800000000, -0.0846431100000000 ] - [ 0.0003234300000000, 0.0003945800000000, -0.0001817700000000 ] - [ 0.0057353400000000, 0.0091651800000000, 0.0106196100000000 ] - [ 0.0006086000000000, -0.0003458000000000, -0.0003205800000000 ] - [ -0.0080560800000000, 0.0027708800000000, 0.0096357800000000 ] - [ 0.0016250300000000, 0.0060337600000000, -0.0019460300000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0011513600000000, -0.0001154700000000, 0.0001500200000000 ] - [ -0.0030415900000000, 0.0063184500000000, 0.0056433200000000 ] - [ 0.0001647700000000, -0.0012590500000000, 0.0004337700000000 ] - [ 0.0021090600000000, -0.0004157500000000, 0.0009448000000000 ] - [ 0.0003640500000000, 0.0007943900000000, 0.0001439900000000 ] - [ -0.0000861000000000, 0.0002978500000000, 0.0002080000000000 ] - [ 0.0010388900000000, 0.0001652300000000, 0.0000178700000000 ] - [ 0.0012843300000000, -0.0002445400000000, -0.0000316500000000 ] - [ 0.0000310400000000, -0.0003334000000000, 0.0000657500000000 ] - [ 0.0006650100000000, 0.0007419500000000, 0.0000170300000000 ] - [ 0.0040315400000000, 0.0022611700000000, 0.0048009200000000 ] - [ 0.0000325800000000, -0.0001863300000000, 0.0000258900000000 ] - [ -0.0042100000000000, 0.0040124000000000, -0.0035763100000000 ] - [ 0.0000046300000000, 0.0008597200000000, 0.0000244100000000 ] - [ -0.0031242000000000, -0.0025533800000000, -0.0010397700000000 ] - [ 0.0069009600000000, -0.0001277300000000, -0.0047218500000000 ] - [ 0.0003012800000000, -0.0008369500000000, 0.0000300100000000 ] - [ -0.0000666000000000, 0.0009658100000000, 0.0002924000000000 ] - [ -0.0016298800000000, -0.0045954300000000, 0.0025424700000000 ] - [ 0.0004035700000000, -0.0008521100000000, 0.0002971100000000 ] - [ 0.0003140500000000, -0.0014540700000000, -0.0003707200000000 ] - [ 0.0010079600000000, 0.0002662300000000, 0.0000751000000000 ] - [ -0.0002074500000000, -0.0000084100000000, 0.0000479700000000 ] - [ 0.0017822300000000, -0.0000895700000000, -0.0006303200000000 ] - [ 0.0000863600000000, -0.0021158400000000, -0.0003404400000000 ] - [ -0.0020467000000000, -0.0023278600000000, -0.0000886800000000 ] - [ -0.0010430000000000, 0.0039212200000000, -0.0010336000000000 ] - [ -0.0008147400000000, 0.0013660600000000, -0.0004000600000000 ] - [ 0.0002378200000000, 0.0014411100000000, 0.0003668800000000 ] - [ 0.0017955700000000, 0.0017600400000000, 0.0019216500000000 ] - [ 0.0384943800000000, -0.0098378100000000, -0.0190301300000000 ] - [ 0.0020352700000000, 0.0157102100000000, 0.0010128900000000 ] - [ 0.0000355400000000, -0.0011048300000000, 0.0003028700000000 ] - [ 0.0009487300000000, 0.0008392400000000, -0.0001528700000000 ] - [ 0.0041476400000000, -0.0247513200000000, 0.0038687000000000 ] - [ 0.0024977800000000, -0.0001886100000000, 0.0000384800000000 ] - [ 0.0034221700000000, 0.0003706100000000, 0.0006194300000000 ] - [ -0.0097022000000000, 0.0026828500000000, -0.0050731700000000 ] - [ 0.0022516600000000, -0.0013313600000000, 0.0014458500000000 ] - [ 0.0009036000000000, -0.0007976500000000, 0.0000166300000000 ] - [ 0.0014019200000000, 0.0019690800000000, -0.0006837500000000 ] - [ 0.0006418100000000, 0.0013409600000000, 0.0001337500000000 ] - [ 0.0011109500000000, -0.0030663000000000, -0.0008468500000000 ] - [ -0.0025556900000000, -0.0004813300000000, -0.0001846300000000 ] - [ 0.0015175200000000, -0.0021505800000000, 0.0000086900000000 ] - [ 0.0030868700000000, -0.0002358300000000, -0.0004614200000000 ] - [ 0.0001486200000000, 0.0004797000000000, 0.0000042400000000 ] - [ 0.0043405200000000, 0.0003218100000000, -0.0001489400000000 ] - [ 0.0031245000000000, 0.0001125100000000, -0.0002236600000000 ] - [ -0.0002032700000000, -0.0024009500000000, 0.0002364000000000 ] - [ 0.0022709700000000, -0.0001623700000000, -0.0008636800000000 ] - [ 0.0054393700000000, 0.0018360700000000, -0.0005589700000000 ] - [ -0.4633614600000000, 0.0061481100000000, -0.0047301000000000 ] - [ -0.0026130000000000, -0.0018842500000000, 0.0050833600000000 ] - [ -0.0001177400000000, 0.0014498500000000, 0.0002699400000000 ] - [ 0.0035203600000000, 0.0003144200000000, -0.0002276800000000 ] - [ 0.0060679200000000, -0.0010154500000000, 0.0006493500000000 ] - [ 0.0061646200000000, 0.0090376500000000, 0.0026488900000000 ] - [ -0.0039219500000000, -0.0032090400000000, -0.0003195400000000 ] - [ 0.0014868200000000, -0.0024408200000000, 0.0005550700000000 ] - [ -0.0019136700000000, 0.0034034900000000, -0.0032830800000000 ] - [ 0.0054790100000000, -0.0080541900000000, -0.0028925900000000 ] - [ 0.0007459000000000, 0.0017818800000000, -0.0006331700000000 ] - [ 0.0004526600000000, 0.0013014800000000, -0.0006567200000000 ] - [ 0.0003863500000000, -0.0022911900000000, -0.0005682700000000 ] - [ -0.0019127600000000, 0.0026026900000000, -0.0000019900000000 ] - [ 0.0011789900000000, 0.0008755300000000, -0.0005972600000000 ] - [ 0.0038456700000000, 0.0007442000000000, 0.0004772100000000 ] - [ 0.0001750700000000, -0.0005536400000000, -0.0006149500000000 ] - [ -0.0026738700000000, 0.0018765900000000, -0.0008982700000000 ] - [ 0.0005824000000000, -0.0008624500000000, 0.0001690400000000 ] - [ -0.0003820000000000, 0.0006037700000000, -0.0079671000000000 ] - [ 0.0006989800000000, -0.0012562200000000, 0.0006483400000000 ] - [ 0.0022546400000000, -0.0014923600000000, 0.0009374000000000 ] - [ 0.0006207900000000, 0.0041259900000000, 0.0001140000000000 ] - [ 0.0012817600000000, -0.0014317600000000, 0.0009998700000000 ] - [ 0.0034492300000000, 0.0005994100000000, 0.0007137500000000 ] - [ -0.0013415200000000, -0.0001200800000000, -0.0004196600000000 ] - [ -0.0004869700000000, -0.0001296300000000, -0.0001178000000000 ] - [ -0.0017383100000000, 0.0001869900000000, 0.0002664100000000 ] - [ -0.0020389200000000, 0.0008623900000000, 0.0000902700000000 ] - [ -0.0004793800000000, 0.0057667700000000, -0.0059427100000000 ] - [ 0.0001898600000000, 0.0008905400000000, -0.0002487300000000 ] - [ -0.0025973500000000, 0.0001274500000000, -0.0005090200000000 ] - [ -0.0020086600000000, -0.0023344300000000, -0.0022380700000000 ] - [ -0.0057724000000000, 0.0049691800000000, -0.0001805100000000 ] - [ -0.0018906900000000, -0.0001718700000000, -0.0005758800000000 ] - [ -0.0001696300000000, -0.0006002500000000, -0.0000141200000000 ] - [ -0.0018758400000000, 0.0005830200000000, -0.0013808100000000 ] - [ -0.0001675300000000, -0.0002256700000000, -0.0001910400000000 ] - [ -0.0003931000000000, -0.0015685000000000, 0.0011943500000000 ] - [ -0.0020578700000000, -0.0041107300000000, 0.0003201500000000 ] - [ 0.0003354400000000, -0.0013066400000000, 0.0001207700000000 ] - [ 0.2213287300000000, 0.0473636900000000, -0.0249774500000000 ] - [ -0.0003353500000000, -0.0006799100000000, 0.0006315500000000 ] - [ 0.0066975500000000, 0.0073785200000000, 0.0024576800000000 ] - [ -0.0009059200000000, -0.0001385600000000, -0.0002895200000000 ] - [ -0.0033688100000000, -0.0022041700000000, -0.0000302300000000 ] - [ 0.0004192700000000, 0.0000949200000000, -0.0000456300000000 ] - [ -0.0014386500000000, 0.0013564800000000, 0.0015434100000000 ] - [ 0.0010454600000000, -0.0020911300000000, -0.0002593200000000 ] - [ -0.0014769500000000, 0.0008248500000000, -0.0000422200000000 ] - [ -0.0036703300000000, 0.0027143000000000, 0.0149714900000000 ] - [ 0.0497532500000000, -0.0071783400000000, -0.0466454500000000 ] - [ -0.0017796900000000, -0.0010656900000000, 0.0000387100000000 ] - [ 0.0001694100000000, -0.0013851800000000, 0.0004340900000000 ] - [ -0.0001138900000000, 0.0018683600000000, -0.0005817900000000 ] - [ -0.0013639500000000, 0.0013162700000000, -0.0000105900000000 ] - [ -0.0100998000000000, 0.0106771000000000, 0.0013819200000000 ] - [ -0.0003697900000000, 0.0014459500000000, -0.0000335900000000 ] - [ -0.0011700200000000, 0.0000908300000000, 0.0001008200000000 ] - [ -0.0019438200000000, 0.0007698900000000, -0.0002403500000000 ] - [ -0.0022226000000000, -0.0011586900000000, -0.0000745700000000 ] - [ 0.0010009600000000, 0.0021350700000000, -0.0001276800000000 ] - [ -0.0015644600000000, -0.0006881100000000, 0.0000276000000000 ] - [ -0.0002686700000000, -0.0013783900000000, 0.0000589700000000 ] - [ -0.0026049100000000, 0.0015902600000000, 0.0002909600000000 ] - [ -0.0003865800000000, -0.0051652700000000, 0.0004858900000000 ] - [ 0.0006283200000000, -0.0000140800000000, -0.0000798300000000 ] - [ -0.0006817700000000, -0.0001866600000000, 0.0007520600000000 ] - [ 0.0086079100000000, -0.0006472800000000, 0.0018978900000000 ] - [ 0.0000552600000000, -0.0008225900000000, 0.0000690800000000 ] - [ 0.0003519000000000, -0.0019551700000000, -0.0009212200000000 ] - [ -0.0003799100000000, 0.0001502500000000, -0.0001920200000000 ] - [ -0.0011423000000000, 0.0003107000000000, 0.0010345500000000 ] - [ 0.0001982600000000, -0.0022119200000000, 0.0001669700000000 ] - [ -0.0011653600000000, -0.0017883100000000, 0.0004133700000000 ] - [ 0.0000643300000000, -0.0013896600000000, 0.0000289000000000 ] - [ -0.0005838300000000, -0.0003885500000000, 0.0000419100000000 ] - [ 0.0008724000000000, 0.0007697800000000, -0.0000185000000000 ] - [ 0.0008424500000000, 0.0008100700000000, -0.0000596100000000 ] - [ -0.0013387600000000, 0.0000955700000000, -0.0002607500000000 ] - [ -0.0000183500000000, 0.0008706500000000, 0.0008621800000000 ] - [ 0.0019700700000000, -0.0010818600000000, 0.0003264500000000 ] - [ -0.0015169100000000, -0.0022300300000000, -0.0002074300000000 ] - [ 0.0006259300000000, -0.0030023000000000, 0.0021916100000000 ] - [ -0.0008167700000000, 0.0007739700000000, -0.0003970900000000 ] - [ -0.0012640600000000, 0.0009762800000000, -0.0002143000000000 ] - [ 0.0007371900000000, -0.0006467100000000, 0.0008818300000000 ] - [ -0.0004270200000000, -0.0003374200000000, -0.0000265000000000 ] - [ -0.0005666800000000, 0.0002836200000000, -0.0002499400000000 ] - [ -0.0012436900000000, 0.0001924600000000, -0.0002262800000000 ] - [ -0.0001097800000000, 0.0004632100000000, 0.0000180000000000 ] - [ 0.0025777200000000, -0.0001073700000000, -0.0006812300000000 ] - [ -0.0014323600000000, -0.0013830600000000, 0.0004994700000000 ] - [ -0.0028521100000000, -0.0003414200000000, -0.0003197900000000 ] - [ 0.0016265600000000, 0.0007350000000000, 0.0008766000000000 ] - [ -0.0097023100000000, -0.0047917000000000, 0.0004363600000000 ] - [ -0.0003594500000000, 0.0005175500000000, 0.0000502500000000 ] - [ -0.0012925300000000, 0.0021974900000000, 0.0020361500000000 ] - [ 0.0447739200000000, 0.0243828800000000, 0.0061627200000000 ] - [ -0.0018399700000000, -0.0005853500000000, -0.0004531100000000 ] - [ -0.0012525200000000, 0.0000066600000000, -0.0000226100000000 ] - [ 0.1163173000000000, -0.0751236400000000, 0.0716477600000000 ] - [ -0.0002580100000000, 0.0013695200000000, 0.0002278800000000 ] - [ 0.0006171500000000, 0.0016014500000000, 0.0001703100000000 ] - [ -0.0030913100000000, -0.0002772500000000, 0.0004683400000000 ] - [ 0.0023594500000000, 0.0004474100000000, -0.0001920700000000 ] - [ -0.0003531400000000, 0.0012002800000000, -0.0001869600000000 ] - [ 0.0001799100000000, 0.0006515800000000, -0.0000416900000000 ] - [ 0.0019644200000000, 0.0019990900000000, -0.0015583500000000 ] - [ -0.0000295500000000, 0.0003369000000000, -0.0000087600000000 ] - [ -0.0014916100000000, 0.0011353800000000, 0.0003812900000000 ] - [ -0.0015225100000000, -0.0001056900000000, 0.0005807600000000 ] - [ -0.0016724800000000, -0.0010905000000000, -0.0004686000000000 ] - [ 0.0004109300000000, -0.0006795000000000, -0.0003731400000000 ] - [ -0.0039740100000000, 0.0019114700000000, 0.0003014700000000 ] - [ -0.0005300900000000, 0.0005036800000000, 0.0002460900000000 ]- atom: 53 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0012047200000000, 0.0001455100000000, 0.0000756700000000 ] - [ 0.0030650500000000, -0.0063338800000000, -0.0055263200000000 ] - [ -0.0000518800000000, 0.0014122900000000, 0.0000255300000000 ] - [ -0.0022262700000000, 0.0002615800000000, -0.0004880200000000 ] - [ -0.0006609000000000, -0.0009937000000000, -0.0001092800000000 ] - [ 0.0002761000000000, -0.0003187100000000, 0.0002507400000000 ] - [ -0.0010364700000000, -0.0001628800000000, 0.0000936900000000 ] - [ -0.0012289700000000, 0.0002097900000000, 0.0002560500000000 ] - [ -0.0000310400000000, 0.0003320800000000, 0.0000466700000000 ] - [ -0.0005896400000000, -0.0009156400000000, 0.0004411500000000 ] - [ -0.0037267800000000, -0.0020586400000000, -0.0047230500000000 ] - [ -0.0000299200000000, 0.0001868400000000, 0.0000320900000000 ] - [ 0.0042207100000000, -0.0040166500000000, 0.0037019200000000 ] - [ -0.0000616300000000, -0.0008881800000000, 0.0001999200000000 ] - [ 0.0029469900000000, 0.0025749100000000, 0.0015018000000000 ] - [ -0.0068977800000000, 0.0002864600000000, 0.0051148300000000 ] - [ -0.0003016400000000, 0.0007770800000000, 0.0001946600000000 ] - [ 0.0001164400000000, -0.0009348600000000, -0.0000657500000000 ] - [ 0.0016166200000000, 0.0049729000000000, -0.0025213000000000 ] - [ -0.0004024100000000, 0.0009158500000000, -0.0000729800000000 ] - [ 0.0000068700000000, 0.0012941500000000, 0.0004047600000000 ] - [ -0.0010077800000000, -0.0002656500000000, -0.0000151900000000 ] - [ 0.0002315900000000, -0.0003472500000000, -0.0000137700000000 ] - [ -0.0021050300000000, 0.0002463700000000, 0.0006655900000000 ] - [ -0.0002369000000000, 0.0008344800000000, -0.0001606200000000 ] - [ 0.0017854100000000, 0.0026785000000000, 0.0000414400000000 ] - [ 0.0023421400000000, -0.0050326100000000, 0.0009254300000000 ] - [ 0.0019960100000000, -0.0008471400000000, -0.0000977500000000 ] - [ -0.0002580200000000, -0.0013976100000000, 0.0004359500000000 ] - [ -0.0021195800000000, -0.0034284400000000, -0.0020310800000000 ] - [ -0.0404405900000000, 0.0091794000000000, 0.0190469800000000 ] - [ -0.0020975100000000, -0.0156589200000000, -0.0002429600000000 ] - [ -0.0000835700000000, 0.0011170400000000, 0.0005016200000000 ] - [ -0.0019946000000000, -0.0000727400000000, -0.0003455400000000 ] - [ -0.0038612800000000, 0.0263057500000000, -0.0038983600000000 ] - [ -0.0029222200000000, 0.0001142500000000, -0.0000822100000000 ] - [ -0.0034042000000000, -0.0003319200000000, 0.0001809000000000 ] - [ 0.0084103400000000, -0.0015732200000000, 0.0049410600000000 ] - [ -0.0022754100000000, 0.0012831000000000, -0.0006446100000000 ] - [ -0.0006316600000000, 0.0004561700000000, -0.0000649500000000 ] - [ -0.0012430400000000, -0.0015462700000000, 0.0006368700000000 ] - [ -0.0018177100000000, -0.0018558300000000, -0.0006285400000000 ] - [ -0.0010610900000000, 0.0030647700000000, 0.0016561500000000 ] - [ 0.0041696000000000, 0.0010445700000000, 0.0000816600000000 ] - [ -0.0010913700000000, 0.0022189000000000, -0.0000505900000000 ] - [ -0.0029435300000000, 0.0015216200000000, -0.0000380700000000 ] - [ -0.0003153000000000, -0.0008971200000000, -0.0000428900000000 ] - [ -0.0032847600000000, -0.0010916900000000, -0.0003447000000000 ] - [ -0.0028577400000000, -0.0011503700000000, -0.0009122000000000 ] - [ 0.0018642600000000, 0.0027717100000000, 0.0004369900000000 ] - [ -0.0024775400000000, 0.0007935900000000, -0.0004104100000000 ] - [ -0.0042451900000000, -0.0030658900000000, 0.0012116500000000 ] - [ 0.4777967800000000, 0.0026247400000000, -0.0007647900000000 ] - [ 0.0024445500000000, 0.0010616100000000, -0.0047485000000000 ] - [ -0.0010401600000000, -0.0002101900000000, 0.0003997700000000 ] - [ -0.0028088400000000, -0.0004464700000000, -0.0010380800000000 ] - [ -0.0063262800000000, 0.0020333200000000, -0.0017722600000000 ] - [ -0.0060117900000000, -0.0082006300000000, -0.0022868500000000 ] - [ 0.0031541100000000, 0.0029139800000000, 0.0006702000000000 ] - [ -0.0019932800000000, 0.0008250200000000, 0.0001167000000000 ] - [ 0.0008466600000000, -0.0031339100000000, 0.0021437100000000 ] - [ -0.0062476400000000, 0.0073227900000000, 0.0017709300000000 ] - [ 0.0003046200000000, -0.0020627000000000, -0.0005045400000000 ] - [ -0.0008768900000000, -0.0018552500000000, -0.0006140100000000 ] - [ -0.0001830500000000, 0.0016620300000000, -0.0007074500000000 ] - [ 0.0012471900000000, -0.0020592300000000, 0.0003618800000000 ] - [ -0.0018880000000000, -0.0007486300000000, -0.0006699100000000 ] - [ -0.0033367500000000, 0.0008693200000000, 0.0001942000000000 ] - [ 0.0005697400000000, 0.0013252400000000, -0.0005218500000000 ] - [ 0.0031060000000000, -0.0013289000000000, -0.0003704000000000 ] - [ -0.0022378800000000, 0.0005021700000000, 0.0005046200000000 ] - [ 0.0011553000000000, -0.0003099000000000, 0.0083442100000000 ] - [ -0.0000896700000000, 0.0015586400000000, -0.0004738800000000 ] - [ -0.0015332400000000, 0.0018520300000000, -0.0006798700000000 ] - [ 0.0002392400000000, -0.0038720800000000, 0.0001419100000000 ] - [ -0.0020515700000000, 0.0018981400000000, -0.0009440000000000 ] - [ -0.0032877700000000, -0.0007714500000000, -0.0007802600000000 ] - [ 0.0015276900000000, 0.0004029200000000, 0.0003002600000000 ] - [ 0.0005513500000000, 0.0006189500000000, -0.0002198300000000 ] - [ 0.0006416000000000, -0.0002315300000000, -0.0002612900000000 ] - [ 0.0013258500000000, -0.0006102000000000, -0.0001345600000000 ] - [ -0.0000746500000000, -0.0054237300000000, 0.0061401200000000 ] - [ 0.0004335000000000, -0.0018682500000000, 0.0002755400000000 ] - [ 0.0011964600000000, 0.0007706800000000, -0.0002001300000000 ] - [ 0.0025784600000000, 0.0019598300000000, 0.0024047100000000 ] - [ 0.0057564100000000, -0.0040427400000000, 0.0002355600000000 ] - [ 0.0029851000000000, 0.0002202900000000, 0.0005818500000000 ] - [ 0.0000154100000000, 0.0009025900000000, -0.0001068000000000 ] - [ 0.0016918500000000, -0.0008602100000000, 0.0012527200000000 ] - [ 0.0002540700000000, 0.0006029700000000, -0.0002434400000000 ] - [ 0.0004458100000000, 0.0017853100000000, -0.0012400900000000 ] - [ 0.0022703200000000, 0.0035685700000000, -0.0002173500000000 ] - [ 0.0002044700000000, 0.0014876400000000, -0.0002489600000000 ] - [ -0.2358160300000000, -0.0518204200000000, 0.0272458200000000 ] - [ 0.0004868000000000, 0.0006981700000000, 0.0009798900000000 ] - [ -0.0067509600000000, -0.0076035900000000, -0.0025048900000000 ] - [ 0.0005227300000000, 0.0004317300000000, -0.0000410800000000 ] - [ 0.0037977200000000, 0.0018185700000000, -0.0000973400000000 ] - [ -0.0018920600000000, -0.0008463900000000, -0.0006609100000000 ] - [ 0.0013228500000000, -0.0019181400000000, -0.0016791000000000 ] - [ -0.0011462600000000, 0.0028382900000000, 0.0002256900000000 ] - [ 0.0016813900000000, 0.0000541400000000, 0.0003004500000000 ] - [ 0.0036481900000000, -0.0033905500000000, -0.0148560200000000 ] - [ -0.0509836100000000, 0.0068584200000000, 0.0471869200000000 ] - [ 0.0012097700000000, 0.0005804300000000, -0.0000784400000000 ] - [ 0.0005024500000000, 0.0007731700000000, -0.0001813800000000 ] - [ 0.0002009800000000, -0.0002187400000000, -0.0001247600000000 ] - [ 0.0010505500000000, -0.0017684100000000, 0.0001072400000000 ] - [ 0.0093605200000000, -0.0111654900000000, -0.0013273500000000 ] - [ -0.0000837800000000, -0.0016349100000000, -0.0003030700000000 ] - [ 0.0016236200000000, 0.0000998600000000, -0.0004375300000000 ] - [ 0.0022560600000000, -0.0003130200000000, 0.0003355800000000 ] - [ 0.0022421500000000, 0.0002525700000000, 0.0001437500000000 ] - [ -0.0004544100000000, -0.0021898100000000, 0.0002252000000000 ] - [ 0.0008995700000000, 0.0011218000000000, 0.0002222200000000 ] - [ -0.0004499800000000, 0.0010198000000000, 0.0001946000000000 ] - [ 0.0023967500000000, -0.0024581000000000, -0.0000345200000000 ] - [ 0.0002251200000000, 0.0053168000000000, -0.0005306300000000 ] - [ -0.0001010200000000, 0.0010048200000000, 0.0000902300000000 ] - [ 0.0007820800000000, 0.0000611500000000, 0.0008673600000000 ] - [ -0.0082949400000000, 0.0005879800000000, -0.0021652000000000 ] - [ -0.0001249600000000, 0.0007115000000000, -0.0000533200000000 ] - [ -0.0004482200000000, 0.0022529700000000, 0.0006404100000000 ] - [ 0.0018461500000000, 0.0005981500000000, -0.0005136500000000 ] - [ 0.0010838200000000, -0.0004556000000000, 0.0005750600000000 ] - [ 0.0005882500000000, 0.0017613900000000, -0.0000978700000000 ] - [ 0.0006381100000000, 0.0007972400000000, -0.0004018000000000 ] - [ 0.0000538500000000, 0.0006664900000000, -0.0000623500000000 ] - [ -0.0000744900000000, 0.0009996700000000, 0.0002123800000000 ] - [ -0.0000827100000000, -0.0003195600000000, 0.0000909900000000 ] - [ -0.0005589800000000, -0.0010741000000000, -0.0003772000000000 ] - [ 0.0017073000000000, 0.0000212200000000, -0.0001720300000000 ] - [ 0.0000776600000000, -0.0007285300000000, 0.0007480400000000 ] - [ -0.0021909500000000, 0.0010244400000000, -0.0003704500000000 ] - [ 0.0015774500000000, 0.0023302300000000, 0.0002238400000000 ] - [ -0.0004423100000000, 0.0027082500000000, -0.0023223200000000 ] - [ 0.0004475700000000, -0.0008882900000000, -0.0000371500000000 ] - [ 0.0013393900000000, -0.0011078600000000, 0.0002318800000000 ] - [ -0.0008884400000000, 0.0006285100000000, 0.0007289300000000 ] - [ 0.0002043700000000, 0.0008390400000000, 0.0001251200000000 ] - [ 0.0002786900000000, -0.0000221400000000, -0.0001865000000000 ] - [ 0.0013783500000000, -0.0001967300000000, 0.0002428800000000 ] - [ -0.0002289400000000, -0.0004483600000000, -0.0001415400000000 ] - [ -0.0029267100000000, 0.0001698600000000, 0.0004177400000000 ] - [ 0.0013410700000000, 0.0009991000000000, -0.0009250600000000 ] - [ 0.0035071000000000, -0.0000811300000000, 0.0005636400000000 ] - [ -0.0015864900000000, -0.0000577400000000, -0.0007082300000000 ] - [ 0.0098655700000000, 0.0050494600000000, -0.0006920500000000 ] - [ -0.0001919000000000, -0.0004717300000000, 0.0000460900000000 ] - [ 0.0016340400000000, -0.0022206900000000, -0.0021692400000000 ] - [ -0.0458464700000000, -0.0256230300000000, -0.0064997700000000 ] - [ 0.0017735500000000, 0.0000967100000000, 0.0001165600000000 ] - [ 0.0018226700000000, 0.0004851900000000, -0.0000157700000000 ] - [ -0.1138631600000000, 0.0712730000000000, -0.0685715600000000 ] - [ 0.0001837500000000, -0.0012428000000000, -0.0002105600000000 ] - [ -0.0005000700000000, -0.0010456700000000, -0.0003028400000000 ] - [ 0.0029512200000000, 0.0002821900000000, -0.0004514400000000 ] - [ -0.0019859400000000, -0.0007428400000000, -0.0001395000000000 ] - [ -0.0000625100000000, -0.0008092000000000, 0.0000698600000000 ] - [ 0.0005352900000000, -0.0009056600000000, -0.0000017200000000 ] - [ -0.0021765100000000, -0.0022585100000000, 0.0012954700000000 ] - [ 0.0000051800000000, -0.0011378400000000, 0.0002613100000000 ] - [ 0.0008660600000000, -0.0001612500000000, -0.0003539600000000 ] - [ 0.0014198400000000, 0.0002340300000000, 0.0010354900000000 ] - [ 0.0015841000000000, -0.0005583400000000, -0.0002372400000000 ] - [ 0.0009764700000000, -0.0002191500000000, -0.0003328700000000 ] - [ 0.0040100600000000, -0.0011169400000000, -0.0000505200000000 ] - [ -0.0003309700000000, -0.0007716800000000, 0.0000096700000000 ]- atom: 53 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0009327100000000, 0.0000504500000000, 0.0000470000000000 ] - [ 0.0059207100000000, 0.0005527100000000, 0.0020806100000000 ] - [ -0.0008339200000000, 0.0019360100000000, -0.0002328900000000 ] - [ -0.0010190900000000, -0.0005249000000000, -0.0001100800000000 ] - [ 0.0000970800000000, 0.0000438300000000, -0.0000380300000000 ] - [ 0.0007041200000000, 0.0007587100000000, 0.0002699800000000 ] - [ 0.0000088700000000, -0.0002090800000000, -0.0000125700000000 ] - [ -0.0010266700000000, 0.0000181000000000, 0.0002968600000000 ] - [ -0.0004640600000000, 0.0011181100000000, 0.0001691500000000 ] - [ 0.0002071700000000, -0.0000231300000000, 0.0002731800000000 ] - [ -0.0009899100000000, -0.0062149100000000, -0.0017383900000000 ] - [ -0.0005589100000000, 0.0011431900000000, -0.0000821700000000 ] - [ 0.0050999700000000, -0.0005302700000000, -0.0011065000000000 ] - [ 0.0010473800000000, 0.0006261700000000, -0.0001986200000000 ] - [ -0.0023174100000000, 0.0031529300000000, 0.0060609100000000 ] - [ -0.0048735100000000, -0.0034485500000000, 0.0036736400000000 ] - [ -0.0006060300000000, 0.0007698200000000, 0.0001512200000000 ] - [ 0.0013541800000000, 0.0008409600000000, 0.0007987100000000 ] - [ -0.0037289400000000, 0.0037307400000000, -0.0049354500000000 ] - [ -0.0007041200000000, 0.0007775500000000, 0.0000144800000000 ] - [ -0.0008800000000000, 0.0016542200000000, 0.0007030200000000 ] - [ -0.0001494500000000, -0.0003037100000000, 0.0001121400000000 ] - [ 0.0004888900000000, 0.0006565000000000, -0.0001433700000000 ] - [ -0.0009341700000000, -0.0002929200000000, 0.0002554000000000 ] - [ -0.0013843700000000, 0.0017626000000000, -0.0000643500000000 ] - [ -0.0027184700000000, 0.0032626600000000, 0.0005108600000000 ] - [ 0.0039024300000000, -0.0011528300000000, 0.0003019500000000 ] - [ 0.0005985000000000, 0.0024252900000000, -0.0013591400000000 ] - [ 0.0011515600000000, 0.0009424500000000, 0.0004606800000000 ] - [ 0.0000172000000000, -0.0023881200000000, -0.0003886000000000 ] - [ -0.0184289200000000, -0.0027678600000000, 0.0064034300000000 ] - [ 0.0243171800000000, 0.0210961800000000, -0.0087776300000000 ] - [ -0.0008925000000000, 0.0031527600000000, 0.0006852900000000 ] - [ -0.0017047700000000, 0.0013890600000000, -0.0003966500000000 ] - [ -0.0143285800000000, 0.0378658700000000, -0.0097949900000000 ] - [ -0.0015049100000000, -0.0004921600000000, -0.0000273200000000 ] - [ -0.0008342400000000, -0.0002337100000000, 0.0003395600000000 ] - [ 0.0039645300000000, -0.0065415200000000, 0.0041294500000000 ] - [ -0.0034237700000000, 0.0004319500000000, -0.0010787000000000 ] - [ 0.0003922800000000, 0.0008589000000000, 0.0000445000000000 ] - [ 0.0020402300000000, -0.0020007500000000, -0.0006807200000000 ] - [ 0.0004991500000000, 0.0004614100000000, 0.0000009000000000 ] - [ -0.0018955900000000, -0.0000771100000000, 0.0011171600000000 ] - [ 0.0028836000000000, 0.0026928300000000, 0.0011031800000000 ] - [ -0.0016957300000000, 0.0028388300000000, -0.0000909600000000 ] - [ -0.0018331900000000, 0.0010513200000000, -0.0001819400000000 ] - [ 0.0010185200000000, 0.0020318000000000, 0.0000583700000000 ] - [ -0.0019154100000000, -0.0039504700000000, -0.0003429500000000 ] - [ -0.0006835500000000, -0.0006058800000000, -0.0006448800000000 ] - [ -0.0009808500000000, 0.0028840800000000, 0.0011492700000000 ] - [ -0.0017405500000000, 0.0002209900000000, -0.0005382300000000 ] - [ 0.0058645800000000, -0.0020131500000000, -0.0014947600000000 ] - [ 0.2326877900000000, -0.3934304300000000, -0.0053585400000000 ] - [ 0.0004585700000000, -0.0009847900000000, -0.0068833900000000 ] - [ -0.0000974300000000, 0.0026594000000000, 0.0006258000000000 ] - [ -0.0010791500000000, -0.0024533200000000, -0.0008081800000000 ] - [ -0.0099688600000000, 0.0000890900000000, -0.0021021200000000 ] - [ -0.0004851600000000, -0.0039822200000000, -0.0009594900000000 ] - [ 0.0036968200000000, 0.0095782900000000, 0.0012975000000000 ] - [ -0.0025121600000000, 0.0015420600000000, -0.0000260700000000 ] - [ 0.0011425300000000, -0.0053400500000000, -0.0073313800000000 ] - [ -0.0048834300000000, 0.0025411600000000, 0.0006519600000000 ] - [ 0.0020771600000000, 0.0010819600000000, -0.0004656900000000 ] - [ 0.0007678200000000, -0.0000332100000000, -0.0003526000000000 ] - [ -0.0018852500000000, 0.0027102700000000, -0.0008707600000000 ] - [ 0.0024674900000000, 0.0007533500000000, -0.0000508000000000 ] - [ -0.0018127300000000, 0.0008957000000000, -0.0005365900000000 ] - [ -0.0014316900000000, 0.0000855700000000, 0.0002675000000000 ] - [ -0.0004088300000000, 0.0026891100000000, -0.0003309500000000 ] - [ -0.0013210000000000, 0.0068722800000000, -0.0023404300000000 ] - [ -0.0007592300000000, 0.0015740000000000, 0.0003422500000000 ] - [ 0.0006263300000000, -0.0029142400000000, 0.0041986900000000 ] - [ -0.0008826600000000, 0.0001194900000000, 0.0000616500000000 ] - [ -0.0005414100000000, 0.0001993800000000, 0.0004213200000000 ] - [ 0.0017710400000000, -0.0012878300000000, 0.0000189700000000 ] - [ -0.0002366300000000, 0.0070707300000000, -0.0017646900000000 ] - [ -0.0019463100000000, 0.0021058300000000, 0.0018742700000000 ] - [ 0.0004684000000000, 0.0002254500000000, 0.0000320100000000 ] - [ 0.0005007900000000, -0.0009055600000000, 0.0000463200000000 ] - [ 0.0008017200000000, -0.0008918000000000, -0.0002122400000000 ] - [ 0.0011182100000000, -0.0000002800000000, -0.0000983100000000 ] - [ 0.0011932800000000, -0.0055523700000000, 0.0083573700000000 ] - [ 0.0019953300000000, -0.0029747400000000, 0.0005648800000000 ] - [ -0.0023521500000000, 0.0027134600000000, -0.0008761500000000 ] - [ 0.0003736600000000, 0.0010684900000000, 0.0007928800000000 ] - [ 0.0098166800000000, -0.0047986900000000, -0.0000537100000000 ] - [ 0.0017052800000000, 0.0006946100000000, 0.0003870400000000 ] - [ -0.0006778000000000, -0.0003242200000000, -0.0001639000000000 ] - [ 0.0026663100000000, -0.0002536000000000, 0.0017657300000000 ] - [ -0.0001901900000000, -0.0006266900000000, -0.0003883400000000 ] - [ -0.0002064600000000, 0.0025200400000000, -0.0008488500000000 ] - [ -0.0121059300000000, 0.0007322300000000, 0.0005398600000000 ] - [ -0.0007866800000000, -0.0007540000000000, -0.0000814100000000 ] - [ -0.0698505400000000, 0.0209121700000000, 0.0072967200000000 ] - [ -0.0005681900000000, -0.0001738200000000, 0.0005638100000000 ] - [ -0.0050498600000000, -0.0138722700000000, -0.0021148100000000 ] - [ -0.0007691100000000, -0.0002914800000000, -0.0002377900000000 ] - [ 0.0007031500000000, 0.0006137600000000, 0.0000377600000000 ] - [ -0.0000943200000000, -0.0014819200000000, -0.0001848400000000 ] - [ 0.0003105400000000, 0.0004380600000000, -0.0006183000000000 ] - [ -0.0010868100000000, -0.0079909800000000, 0.0008044800000000 ] - [ 0.0007313600000000, 0.0004954400000000, 0.0002049100000000 ] - [ 0.0019054000000000, 0.0014631100000000, -0.0053438200000000 ] - [ -0.0308790000000000, 0.0390721500000000, 0.0439895400000000 ] - [ 0.0003476600000000, -0.0003617300000000, -0.0001317700000000 ] - [ -0.0021678200000000, 0.0008996900000000, 0.0015817000000000 ] - [ 0.0005720700000000, -0.0008019000000000, -0.0000077800000000 ] - [ 0.0015874900000000, -0.0018963100000000, 0.0000457400000000 ] - [ 0.0046312100000000, -0.0014825300000000, -0.0008517100000000 ] - [ 0.0004329400000000, -0.0022555100000000, -0.0002881900000000 ] - [ 0.0010315600000000, 0.0005133400000000, -0.0003387700000000 ] - [ 0.0009072900000000, 0.0003637700000000, 0.0001544500000000 ] - [ 0.0004268000000000, -0.0000281400000000, -0.0000403500000000 ] - [ 0.0014516800000000, -0.0010223300000000, 0.0004440500000000 ] - [ 0.0000702300000000, 0.0001595100000000, 0.0001768700000000 ] - [ -0.0009616900000000, -0.0007574000000000, 0.0001533100000000 ] - [ 0.0032658600000000, -0.0024401200000000, -0.0000245100000000 ] - [ -0.0017051600000000, 0.0023355400000000, -0.0001912800000000 ] - [ -0.0000543800000000, -0.0027590100000000, -0.0006431700000000 ] - [ 0.0006568100000000, -0.0005348500000000, 0.0008403100000000 ] - [ -0.0045684500000000, 0.0032608300000000, -0.0016770200000000 ] - [ -0.0006043100000000, -0.0017467700000000, 0.0003125800000000 ] - [ -0.0010787600000000, 0.0009409200000000, 0.0002057900000000 ] - [ 0.0002288200000000, -0.0000142800000000, -0.0002808400000000 ] - [ 0.0006899300000000, -0.0002377600000000, 0.0006748300000000 ] - [ -0.0008092800000000, -0.0010044900000000, -0.0000197800000000 ] - [ -0.0007679200000000, -0.0002795000000000, 0.0000984300000000 ] - [ -0.0005406900000000, -0.0007160300000000, 0.0000601000000000 ] - [ -0.0015481000000000, -0.0005678900000000, -0.0000334000000000 ] - [ 0.0006436600000000, -0.0015990900000000, -0.0000554500000000 ] - [ 0.0013167900000000, -0.0017971600000000, -0.0008744600000000 ] - [ 0.0009052100000000, 0.0003249100000000, -0.0002357700000000 ] - [ 0.0007422200000000, -0.0010983500000000, 0.0006988000000000 ] - [ -0.0024803100000000, -0.0005171500000000, -0.0003971500000000 ] - [ -0.0016516900000000, -0.0004933300000000, 0.0001882900000000 ] - [ -0.0044848800000000, -0.0011999700000000, 0.0110664900000000 ] - [ 0.0008244200000000, -0.0011918400000000, 0.0000234600000000 ] - [ 0.0007954300000000, -0.0009933100000000, 0.0001581900000000 ] - [ -0.0001058500000000, -0.0017507600000000, 0.0024059600000000 ] - [ -0.0009001300000000, -0.0003076500000000, -0.0000106400000000 ] - [ -0.0002273000000000, -0.0004570600000000, -0.0002240300000000 ] - [ 0.0015023200000000, -0.0005332100000000, 0.0002800700000000 ] - [ 0.0001884600000000, -0.0011922200000000, -0.0003703500000000 ] - [ -0.0037936000000000, -0.0019195900000000, 0.0007435500000000 ] - [ -0.0012785300000000, 0.0014163400000000, 0.0011153300000000 ] - [ 0.0041579500000000, 0.0021398700000000, 0.0002835700000000 ] - [ -0.0014633600000000, -0.0019723600000000, -0.0018038700000000 ] - [ 0.0032354500000000, 0.0028783600000000, 0.0000964600000000 ] - [ -0.0006366400000000, -0.0016668700000000, -0.0000194700000000 ] - [ 0.0015182000000000, -0.0004820900000000, -0.0011573700000000 ] - [ -0.0001456800000000, 0.1748549900000000, 0.0446521300000000 ] - [ 0.0001607800000000, 0.0017026000000000, 0.0005037600000000 ] - [ 0.0019531800000000, 0.0016448500000000, 0.0000177200000000 ] - [ -0.1167744900000000, 0.1281849600000000, -0.0888452600000000 ] - [ 0.0014784900000000, -0.0020055000000000, -0.0005438000000000 ] - [ 0.0008766200000000, -0.0039796700000000, -0.0001145400000000 ] - [ 0.0015947300000000, 0.0008357400000000, -0.0002234600000000 ] - [ 0.0016713600000000, -0.0030959800000000, -0.0002510500000000 ] - [ 0.0015988900000000, 0.0005195300000000, 0.0007984900000000 ] - [ 0.0016604700000000, -0.0014282200000000, -0.0000473500000000 ] - [ -0.0011726400000000, -0.0020832100000000, 0.0009789300000000 ] - [ 0.0009094900000000, -0.0016476000000000, 0.0002919500000000 ] - [ 0.0002296000000000, 0.0000213700000000, -0.0001917400000000 ] - [ 0.0008166700000000, 0.0011137100000000, 0.0009621700000000 ] - [ 0.0007891900000000, -0.0002656500000000, -0.0001819000000000 ] - [ 0.0011420100000000, -0.0016198100000000, -0.0005346000000000 ] - [ 0.0027176600000000, -0.0000220600000000, 0.0001867200000000 ] - [ -0.0005184400000000, -0.0015106500000000, -0.0000794000000000 ]- atom: 53 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0008785600000000, -0.0000182000000000, 0.0001789700000000 ] - [ -0.0059501200000000, -0.0005373500000000, -0.0019771900000000 ] - [ 0.0009524200000000, -0.0017832500000000, 0.0006949500000000 ] - [ 0.0009026400000000, 0.0003689500000000, 0.0005673100000000 ] - [ -0.0003952700000000, -0.0002395400000000, 0.0000723600000000 ] - [ -0.0005162300000000, -0.0007841900000000, 0.0001884200000000 ] - [ -0.0000097300000000, 0.0002094700000000, 0.0001238600000000 ] - [ 0.0010821400000000, -0.0000488300000000, -0.0000715700000000 ] - [ 0.0004656400000000, -0.0011180800000000, -0.0000568500000000 ] - [ -0.0001323400000000, -0.0001495300000000, 0.0001864700000000 ] - [ 0.0012726000000000, 0.0064210800000000, 0.0017686000000000 ] - [ 0.0005620200000000, -0.0011418400000000, 0.0001406200000000 ] - [ -0.0051065600000000, 0.0005448400000000, 0.0012324900000000 ] - [ -0.0011019100000000, -0.0006579600000000, 0.0004248800000000 ] - [ 0.0021337200000000, -0.0031187800000000, -0.0055714000000000 ] - [ 0.0048185400000000, 0.0036489700000000, -0.0032292100000000 ] - [ 0.0006056600000000, -0.0008330100000000, 0.0000746800000000 ] - [ -0.0013016400000000, -0.0008159800000000, -0.0005747000000000 ] - [ 0.0036733600000000, -0.0033323000000000, 0.0049218000000000 ] - [ 0.0007034000000000, -0.0007155100000000, 0.0002097500000000 ] - [ 0.0012058500000000, -0.0018175800000000, -0.0006715600000000 ] - [ 0.0001471100000000, 0.0003018000000000, -0.0000534100000000 ] - [ -0.0004671800000000, -0.0010162500000000, 0.0001793500000000 ] - [ 0.0006135400000000, 0.0004504600000000, -0.0002199500000000 ] - [ 0.0012365700000000, -0.0030462300000000, -0.0004372900000000 ] - [ 0.0024468300000000, -0.0029132800000000, -0.0005555000000000 ] - [ -0.0026236400000000, 0.0000480400000000, -0.0004105900000000 ] - [ 0.0005865100000000, -0.0019043800000000, 0.0008583100000000 ] - [ -0.0011735400000000, -0.0009033200000000, 0.0003433100000000 ] - [ -0.0003414500000000, 0.0007290400000000, 0.0002820200000000 ] - [ 0.0167622000000000, 0.0021120500000000, -0.0064463400000000 ] - [ -0.0241733300000000, -0.0210544800000000, 0.0096344600000000 ] - [ 0.0008475900000000, -0.0031575500000000, 0.0001173800000000 ] - [ 0.0006622400000000, -0.0006193100000000, -0.0001014700000000 ] - [ 0.0148455800000000, -0.0363949800000000, 0.0099427400000000 ] - [ 0.0010795500000000, 0.0004180000000000, -0.0000161900000000 ] - [ 0.0008536600000000, 0.0002759500000000, 0.0004612700000000 ] - [ -0.0052661200000000, 0.0076642700000000, -0.0042790400000000 ] - [ 0.0034068800000000, -0.0004691400000000, 0.0018799700000000 ] - [ -0.0001236600000000, -0.0012070400000000, -0.0000933600000000 ] - [ -0.0018802700000000, 0.0024130700000000, 0.0006411200000000 ] - [ -0.0016830100000000, -0.0009872100000000, -0.0004998700000000 ] - [ 0.0019424400000000, 0.0000625700000000, -0.0003098600000000 ] - [ -0.0012753500000000, -0.0021349000000000, -0.0012183700000000 ] - [ 0.0021258800000000, -0.0027674700000000, 0.0000489600000000 ] - [ 0.0019783300000000, 0.0002294700000000, -0.0003175100000000 ] - [ -0.0011823900000000, -0.0024479600000000, -0.0000972100000000 ] - [ 0.0029606400000000, 0.0031871000000000, -0.0001530800000000 ] - [ 0.0009524200000000, -0.0004276500000000, -0.0004922100000000 ] - [ 0.0026405000000000, -0.0025139900000000, -0.0004735300000000 ] - [ 0.0015351000000000, 0.0004056800000000, -0.0007359700000000 ] - [ -0.0047183500000000, 0.0007675400000000, 0.0021670200000000 ] - [ -0.2408817300000000, 0.3902785000000000, -0.0044102200000000 ] - [ -0.0006092900000000, 0.0001787800000000, 0.0072227200000000 ] - [ -0.0010590600000000, -0.0014204500000000, 0.0000443400000000 ] - [ 0.0017835900000000, 0.0023295400000000, -0.0004596300000000 ] - [ 0.0097277500000000, 0.0009632400000000, 0.0009812900000000 ] - [ 0.0006361900000000, 0.0048317100000000, 0.0013166000000000 ] - [ -0.0044969000000000, -0.0099546300000000, -0.0009626800000000 ] - [ 0.0020110700000000, -0.0031548700000000, 0.0006985500000000 ] - [ -0.0021964900000000, 0.0055993500000000, 0.0061619200000000 ] - [ 0.0041192900000000, -0.0032915800000000, -0.0017770900000000 ] - [ -0.0010276300000000, -0.0013688600000000, -0.0006734900000000 ] - [ -0.0011954800000000, -0.0005279000000000, -0.0009191500000000 ] - [ 0.0020920700000000, -0.0033410600000000, -0.0004059900000000 ] - [ -0.0031457500000000, -0.0002085900000000, 0.0004137700000000 ] - [ 0.0011077500000000, -0.0007642300000000, -0.0007308200000000 ] - [ 0.0019379400000000, 0.0015268500000000, 0.0004040900000000 ] - [ 0.0011559900000000, -0.0019269300000000, -0.0008102100000000 ] - [ 0.0017697300000000, -0.0063158000000000, 0.0010732600000000 ] - [ -0.0009005900000000, -0.0019456100000000, 0.0003321500000000 ] - [ 0.0001532900000000, 0.0032194800000000, -0.0038512300000000 ] - [ 0.0014941900000000, 0.0001788100000000, 0.0001096600000000 ] - [ 0.0012546500000000, 0.0001625300000000, -0.0001645700000000 ] - [ -0.0009055300000000, 0.0015506800000000, 0.0002329700000000 ] - [ -0.0005455400000000, -0.0065984800000000, 0.0018212800000000 ] - [ 0.0021137900000000, -0.0022836800000000, -0.0019237400000000 ] - [ -0.0002833400000000, 0.0000551900000000, -0.0001460700000000 ] - [ -0.0004336900000000, 0.0013931600000000, -0.0003834300000000 ] - [ -0.0019024100000000, 0.0008487400000000, 0.0002174400000000 ] - [ -0.0018282700000000, 0.0002564300000000, 0.0000564100000000 ] - [ -0.0017659000000000, 0.0058879000000000, -0.0081876300000000 ] - [ -0.0013740600000000, 0.0019944400000000, -0.0005389800000000 ] - [ 0.0009629500000000, -0.0018199400000000, 0.0001677100000000 ] - [ 0.0001892900000000, -0.0014484700000000, -0.0006275000000000 ] - [ -0.0098749700000000, 0.0057054100000000, 0.0000933000000000 ] - [ -0.0006055300000000, -0.0006493800000000, -0.0003800300000000 ] - [ 0.0005243700000000, 0.0006281500000000, 0.0000478700000000 ] - [ -0.0028529100000000, -0.0000330100000000, -0.0018888500000000 ] - [ 0.0002784600000000, 0.0010049200000000, -0.0000480200000000 ] - [ 0.0002562300000000, -0.0023114200000000, 0.0008072800000000 ] - [ 0.0123343100000000, -0.0012316300000000, -0.0004419100000000 ] - [ 0.0013288600000000, 0.0009347500000000, -0.0000459000000000 ] - [ 0.0705534600000000, -0.0213153300000000, -0.0073708200000000 ] - [ 0.0007186100000000, 0.0001980400000000, 0.0010479200000000 ] - [ 0.0050186700000000, 0.0137600700000000, 0.0020646900000000 ] - [ 0.0003906700000000, 0.0005901700000000, -0.0000915600000000 ] - [ -0.0002762100000000, -0.0010010400000000, -0.0001629400000000 ] - [ -0.0013793000000000, 0.0007265300000000, -0.0005212300000000 ] - [ -0.0004324700000000, -0.0009906500000000, 0.0004908200000000 ] - [ 0.0009655900000000, 0.0087492900000000, -0.0008491200000000 ] - [ -0.0005266300000000, 0.0003819200000000, 0.0000514300000000 ] - [ -0.0019590600000000, -0.0021210400000000, 0.0055230300000000 ] - [ 0.0299856000000000, -0.0389293400000000, -0.0432643000000000 ] - [ -0.0009176800000000, -0.0001240100000000, 0.0000933600000000 ] - [ 0.0028307600000000, -0.0015063900000000, -0.0013239400000000 ] - [ -0.0004893700000000, 0.0024511000000000, -0.0006983000000000 ] - [ -0.0019049400000000, 0.0014422600000000, 0.0000544400000000 ] - [ -0.0053918900000000, 0.0010358400000000, 0.0009095500000000 ] - [ -0.0008899000000000, 0.0020674200000000, -0.0000476600000000 ] - [ -0.0005761300000000, -0.0003222700000000, 0.0000027100000000 ] - [ -0.0005925300000000, 0.0000895800000000, -0.0000566400000000 ] - [ -0.0004076800000000, -0.0008792700000000, 0.0001075000000000 ] - [ -0.0008990600000000, 0.0009673400000000, -0.0003387500000000 ] - [ -0.0007365600000000, 0.0002706200000000, 0.0000711900000000 ] - [ 0.0002444800000000, 0.0004048900000000, 0.0000984600000000 ] - [ -0.0034768200000000, 0.0015644900000000, 0.0002774800000000 ] - [ 0.0015486500000000, -0.0021973400000000, 0.0001505600000000 ] - [ 0.0005811300000000, 0.0037467900000000, 0.0006515500000000 ] - [ -0.0005577500000000, 0.0004112300000000, 0.0007761400000000 ] - [ 0.0048945900000000, -0.0033091000000000, 0.0014073700000000 ] - [ 0.0005339200000000, 0.0016339700000000, -0.0002946500000000 ] - [ 0.0009856800000000, -0.0006493200000000, -0.0004897700000000 ] - [ 0.0012433600000000, 0.0007703200000000, -0.0004259300000000 ] - [ -0.0007450100000000, 0.0000968300000000, 0.0009331800000000 ] - [ 0.0016005400000000, 0.0005571600000000, 0.0000879000000000 ] - [ 0.0002404400000000, -0.0007044600000000, -0.0000899300000000 ] - [ 0.0006571400000000, -0.0000010200000000, -0.0000917700000000 ] - [ 0.0008882000000000, 0.0011796700000000, 0.0002856200000000 ] - [ 0.0001442900000000, 0.0020550600000000, 0.0001276400000000 ] - [ -0.0010301800000000, 0.0015287400000000, 0.0004334900000000 ] - [ -0.0005330900000000, -0.0002095200000000, -0.0001992500000000 ] - [ -0.0006870900000000, 0.0012388300000000, 0.0009092100000000 ] - [ 0.0022687800000000, 0.0004558100000000, 0.0003563100000000 ] - [ 0.0017247200000000, 0.0006143600000000, -0.0001718900000000 ] - [ 0.0046190300000000, 0.0009019200000000, -0.0111539500000000 ] - [ -0.0011982500000000, 0.0010769100000000, -0.0004607700000000 ] - [ -0.0007181200000000, 0.0008670200000000, -0.0001403800000000 ] - [ -0.0000466500000000, 0.0017287400000000, -0.0007979500000000 ] - [ 0.0006800700000000, 0.0008103100000000, 0.0001116800000000 ] - [ -0.0000587500000000, 0.0007250800000000, -0.0002145900000000 ] - [ -0.0013700800000000, 0.0005285300000000, -0.0002626800000000 ] - [ -0.0005274400000000, 0.0012117600000000, 0.0002551800000000 ] - [ 0.0034674800000000, 0.0019933100000000, -0.0010134800000000 ] - [ 0.0011923900000000, -0.0017950300000000, -0.0015574100000000 ] - [ -0.0034963900000000, -0.0025816000000000, -0.0000370700000000 ] - [ 0.0015121900000000, 0.0026586500000000, 0.0019875900000000 ] - [ -0.0030567700000000, -0.0026260600000000, -0.0003610800000000 ] - [ 0.0000900300000000, 0.0017251300000000, 0.0001184700000000 ] - [ -0.0011773200000000, 0.0004656600000000, 0.0010314900000000 ] - [ 0.0017107600000000, -0.1670419700000000, -0.0418989100000000 ] - [ -0.0002223200000000, -0.0021907700000000, -0.0008374600000000 ] - [ -0.0013845400000000, -0.0011627100000000, -0.0000563000000000 ] - [ 0.1232955600000000, -0.1338609100000000, 0.0950721200000000 ] - [ -0.0015539300000000, 0.0021325300000000, 0.0005626600000000 ] - [ -0.0007664400000000, 0.0045623400000000, -0.0000167800000000 ] - [ -0.0017306100000000, -0.0008341300000000, 0.0002409800000000 ] - [ -0.0013015000000000, 0.0027845200000000, -0.0000822400000000 ] - [ -0.0020261300000000, -0.0001428100000000, -0.0009188600000000 ] - [ -0.0009516700000000, 0.0011771800000000, 0.0000057200000000 ] - [ 0.0009584700000000, 0.0018226600000000, -0.0012375200000000 ] - [ -0.0009354800000000, 0.0008488700000000, -0.0000405800000000 ] - [ -0.0008531000000000, 0.0009585500000000, 0.0002200000000000 ] - [ -0.0009160200000000, -0.0009920500000000, 0.0006533900000000 ] - [ -0.0008727200000000, -0.0013827800000000, -0.0005242500000000 ] - [ 0.0002466500000000, 0.0007217200000000, -0.0001708900000000 ] - [ -0.0026829500000000, 0.0008198300000000, 0.0000635400000000 ] - [ -0.0003401000000000, 0.0012480700000000, 0.0003339200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000833100000000, 0.0000613200000000, 0.0002160300000000 ] - [ 0.0050199900000000, 0.0063880400000000, -0.0005189600000000 ] - [ 0.0001420600000000, -0.0002630600000000, 0.0006068400000000 ] - [ 0.0000653400000000, -0.0000972500000000, -0.0001072500000000 ] - [ -0.0000939600000000, -0.0000770300000000, -0.0000669400000000 ] - [ 0.0000387200000000, -0.0000196600000000, 0.0001450200000000 ] - [ -0.0000984200000000, -0.0000121900000000, -0.0000289900000000 ] - [ 0.0000167300000000, 0.0001063000000000, -0.0000756900000000 ] - [ 0.0000535100000000, -0.0000381100000000, 0.0001457400000000 ] - [ 0.0000580400000000, -0.0000771200000000, 0.0003056800000000 ] - [ 0.0045729000000000, 0.0018501800000000, 0.0052035900000000 ] - [ 0.0000597400000000, -0.0000507000000000, -0.0000674700000000 ] - [ -0.0024615100000000, -0.0026084000000000, 0.0033424300000000 ] - [ -0.0001244100000000, -0.0002677100000000, -0.0001343600000000 ] - [ -0.0013949100000000, 0.0031142900000000, 0.0041012800000000 ] - [ -0.0069610800000000, 0.0008709500000000, -0.0020154400000000 ] - [ -0.0000131700000000, -0.0000805400000000, 0.0001817900000000 ] - [ 0.0001041800000000, 0.0000469000000000, 0.0006067900000000 ] - [ 0.0021607600000000, -0.0034255400000000, -0.0015088400000000 ] - [ 0.0000274200000000, -0.0000366300000000, 0.0000168300000000 ] - [ -0.0000161800000000, 0.0000552600000000, -0.0006481300000000 ] - [ -0.0000115900000000, 0.0000232100000000, 0.0001102800000000 ] - [ -0.0000478400000000, -0.0002485200000000, 0.0001386000000000 ] - [ -0.0001995900000000, 0.0000798100000000, 0.0002588200000000 ] - [ -0.0000015600000000, -0.0007765800000000, -0.0003566400000000 ] - [ -0.0003062200000000, 0.0003262900000000, 0.0000488000000000 ] - [ 0.0000881100000000, -0.0005992800000000, -0.0000553800000000 ] - [ 0.0009265500000000, -0.0011242900000000, -0.0004969100000000 ] - [ 0.0000084500000000, -0.0000155000000000, 0.0005303400000000 ] - [ 0.0010109900000000, -0.0002932600000000, -0.0004542700000000 ] - [ -0.0114636400000000, 0.0001487000000000, 0.0035472700000000 ] - [ 0.0052142900000000, 0.0015698600000000, -0.0100400000000000 ] - [ -0.0000213000000000, -0.0004316100000000, 0.0001501100000000 ] - [ -0.0003794200000000, 0.0003467000000000, -0.0003079100000000 ] - [ 0.0059766000000000, -0.0201066000000000, 0.0015529500000000 ] - [ -0.0002562800000000, -0.0000029800000000, -0.0000765000000000 ] - [ 0.0000365900000000, 0.0000629200000000, 0.0002648100000000 ] - [ 0.0042405800000000, -0.0022935600000000, 0.0482855400000000 ] - [ -0.0013126500000000, 0.0006477300000000, 0.0024185300000000 ] - [ 0.0000429800000000, -0.0002582000000000, -0.0000811500000000 ] - [ -0.0014454900000000, 0.0002090200000000, 0.0004408600000000 ] - [ -0.0005945100000000, -0.0002125300000000, -0.0001056500000000 ] - [ 0.0005238900000000, -0.0008084100000000, 0.0012849900000000 ] - [ 0.0012071400000000, 0.0017001700000000, -0.0001982100000000 ] - [ 0.0005630300000000, -0.0005504000000000, 0.0001280000000000 ] - [ -0.0000603200000000, 0.0006606500000000, -0.0001563100000000 ] - [ 0.0000778500000000, -0.0000872500000000, 0.0000703900000000 ] - [ 0.0010724200000000, -0.0001113800000000, -0.0002698400000000 ] - [ 0.0004243800000000, -0.0004275400000000, -0.0006834400000000 ] - [ 0.0009131400000000, -0.0002593200000000, 0.0011297000000000 ] - [ 0.0000601600000000, 0.0002683000000000, -0.0004600400000000 ] - [ 0.0018764400000000, -0.0006631900000000, -0.0021873000000000 ] - [ -0.0058319300000000, 0.0002337600000000, -0.4362187900000000 ] - [ -0.0041999300000000, 0.0066060900000000, 0.0092840600000000 ] - [ -0.0005446900000000, 0.0003150300000000, 0.0004530400000000 ] - [ 0.0000542000000000, -0.0001452100000000, 0.0000687300000000 ] - [ 0.0041171500000000, 0.0013133200000000, 0.0002584200000000 ] - [ -0.0005475600000000, -0.0005209000000000, -0.0010460600000000 ] - [ -0.0015258800000000, -0.0023298200000000, -0.0010485300000000 ] - [ -0.0002137400000000, -0.0006942600000000, 0.0007358400000000 ] - [ -0.0033485200000000, -0.0076833500000000, 0.0014885900000000 ] - [ -0.0011833200000000, 0.0003545300000000, -0.0000933700000000 ] - [ 0.0005095700000000, -0.0002158000000000, -0.0004800800000000 ] - [ -0.0004073400000000, -0.0005655100000000, -0.0003842800000000 ] - [ 0.0001224900000000, -0.0005518200000000, -0.0007854000000000 ] - [ -0.0001481200000000, 0.0006520900000000, 0.0008781200000000 ] - [ -0.0001318800000000, 0.0000830400000000, -0.0007557200000000 ] - [ 0.0003552200000000, 0.0008590700000000, 0.0002146000000000 ] - [ 0.0001617600000000, 0.0004581400000000, -0.0007238500000000 ] - [ -0.0003409900000000, 0.0016054500000000, -0.0021639600000000 ] - [ -0.0009314700000000, -0.0003233300000000, 0.0002333800000000 ] - [ 0.0074102000000000, 0.0017364100000000, 0.0092865000000000 ] - [ 0.0004364500000000, 0.0002366300000000, -0.0003341300000000 ] - [ -0.0004031900000000, 0.0024798400000000, -0.0007193500000000 ] - [ 0.0005329800000000, -0.0000994600000000, 0.0001969900000000 ] - [ 0.0029755500000000, 0.0070877300000000, -0.0099961100000000 ] - [ 0.0019807600000000, -0.0073471200000000, -0.0129691100000000 ] - [ 0.0000115200000000, 0.0001085300000000, 0.0000803100000000 ] - [ -0.0000662400000000, 0.0002451900000000, -0.0001470300000000 ] - [ -0.0007809800000000, 0.0000744400000000, 0.0000359000000000 ] - [ -0.0006328200000000, 0.0003023100000000, -0.0001065900000000 ] - [ -0.0006123600000000, 0.0021074900000000, -0.0077241500000000 ] - [ 0.0002973600000000, -0.0004604700000000, -0.0000103200000000 ] - [ -0.0011195500000000, 0.0003348400000000, 0.0000141600000000 ] - [ -0.0000454300000000, -0.0001151900000000, 0.0010376900000000 ] - [ -0.0060363200000000, 0.0046807700000000, 0.0016585100000000 ] - [ 0.0006617700000000, 0.0000329200000000, -0.0000588700000000 ] - [ -0.0000701000000000, 0.0001790500000000, -0.0001805300000000 ] - [ -0.0008330500000000, -0.0001045300000000, -0.0016476600000000 ] - [ 0.0000060500000000, 0.0002316900000000, -0.0003715500000000 ] - [ -0.0017501000000000, -0.0010613600000000, -0.0015480800000000 ] - [ -0.0033241100000000, -0.0015645200000000, 0.0021629000000000 ] - [ 0.0002220600000000, -0.0000628900000000, -0.0001274500000000 ] - [ -0.0240808200000000, -0.0064655400000000, 0.0399666500000000 ] - [ 0.0001056300000000, 0.0000441300000000, 0.0006172300000000 ] - [ 0.0025195300000000, 0.0059849400000000, 0.0034483400000000 ] - [ -0.0000648700000000, 0.0002297300000000, -0.0001943300000000 ] - [ 0.0003262100000000, -0.0000766200000000, 0.0000994200000000 ] - [ -0.0010150500000000, -0.0000559200000000, -0.0004822400000000 ] - [ -0.0022032800000000, 0.0003464100000000, -0.0012747600000000 ] - [ -0.0007823200000000, -0.0026864000000000, 0.0006446500000000 ] - [ 0.0000329100000000, 0.0004244800000000, 0.0001260800000000 ] - [ 0.0017764200000000, -0.0001401000000000, -0.0059112000000000 ] - [ -0.0444615900000000, 0.0213396800000000, 0.2166433400000000 ] - [ -0.0003668900000000, -0.0002818300000000, -0.0000004100000000 ] - [ 0.0021057900000000, 0.0007235300000000, -0.0004572700000000 ] - [ 0.0000239500000000, 0.0008508900000000, -0.0003950500000000 ] - [ 0.0001604800000000, -0.0006222800000000, -0.0001883800000000 ] - [ 0.0012671500000000, -0.0017204600000000, 0.0003133500000000 ] - [ -0.0002756700000000, 0.0001743500000000, -0.0000846000000000 ] - [ 0.0001760700000000, 0.0001016200000000, -0.0002064700000000 ] - [ 0.0001409400000000, 0.0002123600000000, 0.0000713600000000 ] - [ -0.0004379000000000, -0.0005503100000000, 0.0000576500000000 ] - [ 0.0000678800000000, 0.0005518300000000, -0.0004293600000000 ] - [ -0.0004508700000000, 0.0001472000000000, 0.0001351200000000 ] - [ -0.0003390600000000, -0.0001579900000000, 0.0001204200000000 ] - [ -0.0013336800000000, -0.0000893200000000, 0.0001258800000000 ] - [ -0.0000196200000000, 0.0002867600000000, 0.0006400700000000 ] - [ 0.0003196000000000, 0.0000792800000000, 0.0000709500000000 ] - [ -0.0000221300000000, -0.0000646600000000, 0.0009086400000000 ] - [ -0.0118264100000000, 0.0019292200000000, -0.0109713100000000 ] - [ 0.0000361900000000, 0.0004208900000000, -0.0001155000000000 ] - [ -0.0002727600000000, -0.0002543200000000, -0.0003129300000000 ] - [ 0.0007765200000000, 0.0004036400000000, -0.0003794300000000 ] - [ -0.0000163600000000, -0.0000572100000000, 0.0006596100000000 ] - [ 0.0005171900000000, -0.0001600700000000, 0.0000550200000000 ] - [ 0.0001206300000000, -0.0002684400000000, -0.0001362000000000 ] - [ 0.0001168000000000, -0.0002562800000000, -0.0000763500000000 ] - [ -0.0003897800000000, 0.0003061300000000, 0.0001538300000000 ] - [ 0.0004545400000000, -0.0001266800000000, -0.0000042100000000 ] - [ 0.0003090800000000, -0.0003138300000000, -0.0006687100000000 ] - [ 0.0001512900000000, 0.0000370500000000, -0.0001021500000000 ] - [ 0.0000114000000000, 0.0001651700000000, 0.0009582200000000 ] - [ -0.0003742200000000, -0.0004838000000000, -0.0006038800000000 ] - [ -0.0003316400000000, -0.0002083700000000, 0.0003943200000000 ] - [ 0.0006322800000000, 0.0047034000000000, 0.0047084000000000 ] - [ -0.0003047400000000, 0.0000496800000000, -0.0005257000000000 ] - [ 0.0000801700000000, -0.0000423400000000, 0.0000302900000000 ] - [ -0.0002353700000000, 0.0003103200000000, 0.0017860400000000 ] - [ -0.0001268100000000, 0.0003103900000000, 0.0000131300000000 ] - [ -0.0000903200000000, 0.0001752200000000, -0.0001254800000000 ] - [ -0.0000008400000000, -0.0000316200000000, -0.0000783800000000 ] - [ -0.0001221900000000, 0.0000606400000000, 0.0001620800000000 ] - [ 0.0005317700000000, 0.0006063200000000, -0.0001731700000000 ] - [ 0.0005935500000000, 0.0006296700000000, 0.0009780900000000 ] - [ -0.0005386600000000, -0.0011017700000000, 0.0012018900000000 ] - [ 0.0004662500000000, 0.0003316900000000, 0.0014314200000000 ] - [ 0.0012711300000000, 0.0008773000000000, -0.0006125200000000 ] - [ -0.0001768200000000, 0.0002352000000000, 0.0000798600000000 ] - [ 0.0003619300000000, -0.0000682300000000, -0.0007927500000000 ] - [ 0.0063495500000000, 0.0525632900000000, 0.0539775000000000 ] - [ 0.0001358500000000, -0.0005408300000000, -0.0010459500000000 ] - [ 0.0008132900000000, 0.0001514700000000, -0.0006053500000000 ] - [ 0.0708186000000000, -0.0657983300000000, 0.0974991400000000 ] - [ -0.0001446300000000, 0.0002770300000000, -0.0000823900000000 ] - [ -0.0000113300000000, 0.0012287200000000, 0.0000544700000000 ] - [ -0.0002671800000000, -0.0000720200000000, 0.0000934200000000 ] - [ 0.0005177900000000, -0.0004936500000000, 0.0003194300000000 ] - [ 0.0019088900000000, -0.0017172400000000, -0.0028453300000000 ] - [ 0.0003179200000000, 0.0000181600000000, 0.0000155600000000 ] - [ 0.0003460800000000, -0.0022634100000000, -0.0013350900000000 ] - [ 0.0000379400000000, -0.0003531900000000, 0.0000927900000000 ] - [ -0.0003295500000000, 0.0005317300000000, 0.0000080400000000 ] - [ -0.0001455600000000, -0.0000317200000000, 0.0003905600000000 ] - [ -0.0000307900000000, -0.0008396700000000, -0.0003562400000000 ] - [ 0.0006079600000000, -0.0003224000000000, -0.0003274500000000 ] - [ 0.0004146500000000, 0.0003023100000000, 0.0001164100000000 ] - [ -0.0003597800000000, -0.0000900000000000, 0.0001547200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001310000000000, -0.0000284900000000, 0.0000104700000000 ] - [ -0.0050342600000000, -0.0064229700000000, 0.0006599900000000 ] - [ -0.0000293400000000, 0.0004120300000000, -0.0001498200000000 ] - [ -0.0001784500000000, -0.0000512000000000, 0.0005698000000000 ] - [ -0.0001992000000000, -0.0001285500000000, 0.0001017500000000 ] - [ 0.0001469700000000, -0.0000021400000000, 0.0003154800000000 ] - [ 0.0000982600000000, 0.0000128100000000, 0.0001370000000000 ] - [ 0.0000285500000000, -0.0001392200000000, 0.0003037500000000 ] - [ -0.0000539300000000, 0.0000380400000000, -0.0000391600000000 ] - [ 0.0000146600000000, -0.0000923300000000, 0.0001535800000000 ] - [ -0.0042369900000000, -0.0016424200000000, -0.0051669800000000 ] - [ -0.0000588400000000, 0.0000522500000000, 0.0001215600000000 ] - [ 0.0024467200000000, 0.0025765800000000, -0.0032204700000000 ] - [ 0.0000739400000000, 0.0002454000000000, 0.0003628900000000 ] - [ 0.0011964800000000, -0.0030519100000000, -0.0036408600000000 ] - [ 0.0068950000000000, -0.0007043000000000, 0.0024894800000000 ] - [ 0.0000077800000000, 0.0000253400000000, 0.0000438200000000 ] - [ -0.0000528700000000, -0.0000237900000000, -0.0003836600000000 ] - [ -0.0022015800000000, 0.0037973400000000, 0.0015628500000000 ] - [ -0.0000228900000000, 0.0000936200000000, 0.0002103700000000 ] - [ 0.0003423900000000, -0.0002054600000000, 0.0006864500000000 ] - [ 0.0000100600000000, -0.0000245500000000, -0.0000575900000000 ] - [ 0.0000812600000000, -0.0001088500000000, -0.0001049000000000 ] - [ -0.0001297200000000, 0.0000720100000000, -0.0002262400000000 ] - [ -0.0001352300000000, -0.0004998900000000, -0.0001425500000000 ] - [ 0.0000410800000000, 0.0000310500000000, -0.0000998800000000 ] - [ 0.0012155100000000, -0.0004968000000000, -0.0000571100000000 ] - [ 0.0002424600000000, 0.0016655200000000, 0.0000023000000000 ] - [ -0.0000255400000000, 0.0000602000000000, 0.0002713600000000 ] - [ -0.0013294000000000, -0.0013788200000000, 0.0003558400000000 ] - [ 0.0098241800000000, -0.0006939800000000, -0.0037390900000000 ] - [ -0.0051921000000000, -0.0016473300000000, 0.0108653900000000 ] - [ -0.0000281800000000, 0.0004461500000000, 0.0006546400000000 ] - [ -0.0006711400000000, 0.0004106500000000, -0.0001896200000000 ] - [ -0.0056118400000000, 0.0217124600000000, -0.0017071700000000 ] - [ -0.0001778300000000, -0.0000607100000000, 0.0000357700000000 ] - [ -0.0000159900000000, -0.0000218600000000, 0.0005356400000000 ] - [ -0.0054162900000000, 0.0033298800000000, -0.0487099700000000 ] - [ 0.0012949800000000, -0.0006910200000000, -0.0016236200000000 ] - [ 0.0002233000000000, -0.0000974400000000, 0.0000357600000000 ] - [ 0.0016311400000000, 0.0002050000000000, -0.0004726400000000 ] - [ -0.0005763400000000, -0.0003206000000000, -0.0003947500000000 ] - [ -0.0004826800000000, 0.0008105800000000, -0.0004850100000000 ] - [ 0.0003935800000000, -0.0011334100000000, 0.0000985300000000 ] - [ -0.0001323100000000, 0.0006176100000000, -0.0001707300000000 ] - [ 0.0001961900000000, 0.0006182400000000, -0.0003456700000000 ] - [ -0.0002568100000000, -0.0003302300000000, -0.0001077800000000 ] - [ -0.0000283400000000, -0.0006476800000000, -0.0002311300000000 ] - [ -0.0001573700000000, -0.0006075300000000, -0.0004505400000000 ] - [ 0.0007504300000000, 0.0006439400000000, -0.0004567700000000 ] - [ -0.0002825700000000, 0.0003619400000000, -0.0008155800000000 ] - [ -0.0007160800000000, -0.0005840300000000, 0.0028659400000000 ] - [ -0.0019229400000000, 0.0037306200000000, 0.4517432600000000 ] - [ 0.0040661900000000, -0.0074589000000000, -0.0089321100000000 ] - [ -0.0006264900000000, 0.0009303200000000, 0.0002160400000000 ] - [ 0.0006642000000000, 0.0000228400000000, -0.0013359500000000 ] - [ -0.0044082100000000, -0.0002786200000000, -0.0014024200000000 ] - [ 0.0007183900000000, 0.0013549000000000, 0.0014032000000000 ] - [ 0.0007528000000000, 0.0020515000000000, 0.0014006400000000 ] - [ -0.0002874800000000, -0.0009318800000000, -0.0000658500000000 ] - [ 0.0023075100000000, 0.0079979100000000, -0.0026338600000000 ] - [ 0.0004461800000000, -0.0011310700000000, -0.0010555200000000 ] - [ 0.0005457800000000, -0.0000636300000000, -0.0006586700000000 ] - [ -0.0000082800000000, -0.0000040900000000, -0.0008875200000000 ] - [ 0.0000957700000000, -0.0000753800000000, -0.0004883900000000 ] - [ -0.0005137800000000, -0.0000982700000000, -0.0005195100000000 ] - [ -0.0005867600000000, 0.0000346800000000, -0.0005096300000000 ] - [ 0.0001420500000000, 0.0007679700000000, 0.0004574400000000 ] - [ 0.0005825400000000, 0.0003125100000000, -0.0004106900000000 ] - [ 0.0007625300000000, -0.0010452900000000, 0.0009020600000000 ] - [ -0.0007330200000000, -0.0000534100000000, 0.0004412700000000 ] - [ -0.0066977500000000, -0.0014697000000000, -0.0089300900000000 ] - [ 0.0001793600000000, 0.0000607800000000, 0.0005157600000000 ] - [ 0.0011305000000000, -0.0021389600000000, 0.0009819900000000 ] - [ 0.0003285900000000, 0.0003594100000000, 0.0000700300000000 ] - [ -0.0037788100000000, -0.0066292400000000, 0.0100477900000000 ] - [ -0.0018504100000000, 0.0071999000000000, 0.0128850500000000 ] - [ 0.0001734500000000, 0.0001740700000000, -0.0002016900000000 ] - [ 0.0001293000000000, 0.0002458100000000, -0.0001893500000000 ] - [ -0.0003115700000000, -0.0001131100000000, -0.0000376900000000 ] - [ -0.0000733600000000, -0.0000535900000000, 0.0000545800000000 ] - [ 0.0000362900000000, -0.0017199200000000, 0.0079216100000000 ] - [ 0.0003198200000000, -0.0005197500000000, 0.0000318900000000 ] - [ -0.0002740500000000, 0.0005622500000000, -0.0007280100000000 ] - [ 0.0006104100000000, -0.0002706800000000, -0.0008694800000000 ] - [ 0.0060552000000000, -0.0037979600000000, -0.0015875900000000 ] - [ 0.0004322900000000, 0.0000062400000000, 0.0000572400000000 ] - [ -0.0000865700000000, 0.0001229100000000, 0.0000615700000000 ] - [ 0.0006515900000000, -0.0001771100000000, 0.0015359100000000 ] - [ 0.0000843100000000, 0.0001364100000000, -0.0000573200000000 ] - [ 0.0018170600000000, 0.0013004700000000, 0.0015015100000000 ] - [ 0.0035702900000000, 0.0010797600000000, -0.0020731500000000 ] - [ 0.0003126200000000, 0.0002419500000000, -0.0000072000000000 ] - [ 0.0254787100000000, 0.0067475100000000, -0.0405377400000000 ] - [ 0.0000495200000000, -0.0000156600000000, 0.0010023200000000 ] - [ -0.0025780000000000, -0.0062237500000000, -0.0034882800000000 ] - [ -0.0003213400000000, 0.0000661400000000, -0.0001358900000000 ] - [ 0.0000981400000000, -0.0003028000000000, -0.0002338000000000 ] - [ -0.0004558300000000, -0.0007052500000000, -0.0002303600000000 ] - [ 0.0021094200000000, -0.0009101900000000, 0.0011293000000000 ] - [ 0.0006734000000000, 0.0034361900000000, -0.0006884300000000 ] - [ 0.0001818300000000, 0.0004493100000000, 0.0001414100000000 ] - [ -0.0017814300000000, -0.0005382800000000, 0.0061033700000000 ] - [ 0.0480848400000000, -0.0237372000000000, -0.2314691800000000 ] - [ -0.0001975600000000, -0.0002044000000000, -0.0000494800000000 ] - [ -0.0014630800000000, -0.0013463700000000, 0.0007222900000000 ] - [ 0.0000571600000000, 0.0008023300000000, -0.0003192600000000 ] - [ -0.0004710400000000, 0.0001724300000000, 0.0002729300000000 ] - [ -0.0020889900000000, 0.0012931800000000, -0.0002194500000000 ] - [ -0.0001797200000000, -0.0003711900000000, -0.0002515200000000 ] - [ 0.0002814300000000, 0.0000928100000000, -0.0001297300000000 ] - [ 0.0001705000000000, 0.0002377100000000, 0.0000127900000000 ] - [ 0.0004528200000000, -0.0003590400000000, 0.0000201100000000 ] - [ 0.0004778900000000, -0.0006086500000000, 0.0005153100000000 ] - [ -0.0002150100000000, 0.0002936200000000, 0.0001237300000000 ] - [ -0.0003885200000000, -0.0001932700000000, 0.0001427600000000 ] - [ 0.0011279400000000, -0.0007858000000000, 0.0001418100000000 ] - [ -0.0001516800000000, -0.0001366700000000, -0.0006820200000000 ] - [ 0.0002147200000000, 0.0009043200000000, -0.0000700300000000 ] - [ 0.0001325400000000, -0.0000626700000000, 0.0007149000000000 ] - [ 0.0122262900000000, -0.0019919000000000, 0.0107573800000000 ] - [ -0.0001048000000000, -0.0005360800000000, 0.0001317100000000 ] - [ 0.0001787500000000, 0.0005518000000000, 0.0000281200000000 ] - [ 0.0006941900000000, 0.0003543300000000, -0.0003323300000000 ] - [ -0.0000374600000000, -0.0000933900000000, 0.0009568900000000 ] - [ 0.0002676700000000, -0.0003002100000000, 0.0000248700000000 ] - [ -0.0006570900000000, -0.0007130300000000, 0.0001372200000000 ] - [ 0.0000006500000000, -0.0004601100000000, 0.0000338900000000 ] - [ -0.0002632100000000, 0.0003101900000000, 0.0001097300000000 ] - [ 0.0003428100000000, 0.0005753600000000, 0.0000871600000000 ] - [ -0.0000293500000000, 0.0000469500000000, 0.0002400300000000 ] - [ 0.0002140500000000, 0.0000722400000000, -0.0003269300000000 ] - [ 0.0000433500000000, -0.0000162900000000, 0.0006553900000000 ] - [ 0.0001513600000000, 0.0004243800000000, 0.0005602100000000 ] - [ 0.0004031000000000, 0.0003239300000000, -0.0003800000000000 ] - [ -0.0004825100000000, -0.0050260700000000, -0.0048584400000000 ] - [ -0.0000589500000000, -0.0001596200000000, 0.0000991500000000 ] - [ -0.0000061800000000, -0.0000829100000000, -0.0000140600000000 ] - [ 0.0000807100000000, -0.0003394500000000, -0.0001749800000000 ] - [ -0.0000941300000000, 0.0001851800000000, 0.0000740700000000 ] - [ -0.0001883700000000, 0.0000873700000000, -0.0003073800000000 ] - [ 0.0001342500000000, 0.0000278600000000, 0.0000943900000000 ] - [ -0.0002171100000000, -0.0000472800000000, -0.0002850900000000 ] - [ -0.0008795700000000, -0.0005458700000000, -0.0000907300000000 ] - [ -0.0006840300000000, -0.0009968700000000, -0.0014158500000000 ] - [ 0.0012141300000000, 0.0006647000000000, -0.0009418900000000 ] - [ -0.0004167400000000, 0.0003486800000000, -0.0012610700000000 ] - [ -0.0010824200000000, -0.0006282500000000, 0.0003587500000000 ] - [ -0.0003684000000000, -0.0001871100000000, 0.0000056100000000 ] - [ -0.0000209500000000, 0.0000502300000000, 0.0006811600000000 ] - [ -0.0068837100000000, -0.0525783100000000, -0.0546668100000000 ] - [ -0.0002029200000000, 0.0000518400000000, 0.0007085300000000 ] - [ -0.0002474800000000, 0.0003377500000000, 0.0005550600000000 ] - [ -0.0678872000000000, 0.0628419100000000, -0.0964977500000000 ] - [ 0.0000722200000000, -0.0001551200000000, 0.0000985900000000 ] - [ 0.0001251500000000, -0.0006804200000000, -0.0001948200000000 ] - [ 0.0001379600000000, 0.0000759100000000, -0.0000778600000000 ] - [ -0.0001359400000000, 0.0002008300000000, -0.0006505600000000 ] - [ -0.0023438200000000, 0.0020986800000000, 0.0027093200000000 ] - [ 0.0003932600000000, -0.0002689000000000, -0.0000684800000000 ] - [ -0.0005611800000000, 0.0020190000000000, 0.0010626900000000 ] - [ -0.0000691100000000, -0.0004513800000000, 0.0001669500000000 ] - [ -0.0002866500000000, 0.0004465000000000, 0.0000127600000000 ] - [ 0.0000364800000000, 0.0001605200000000, 0.0012361000000000 ] - [ -0.0000508300000000, -0.0008147900000000, -0.0003571800000000 ] - [ 0.0007884700000000, -0.0005765100000000, -0.0003854700000000 ] - [ -0.0003866100000000, 0.0005029500000000, 0.0001456900000000 ] - [ -0.0005021300000000, -0.0001673200000000, 0.0001101000000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0006680700000000, 0.0002593400000000, 0.0000963900000000 ] - [ 0.0010712700000000, -0.0010587100000000, -0.0004014700000000 ] - [ -0.0008030500000000, 0.0001899000000000, 0.0002006100000000 ] - [ 0.0000573900000000, 0.0003299900000000, 0.0002365400000000 ] - [ -0.0001359700000000, -0.0003557300000000, 0.0000605100000000 ] - [ 0.0011303800000000, 0.0008696800000000, 0.0001529200000000 ] - [ 0.0000040600000000, 0.0001710300000000, 0.0000528000000000 ] - [ -0.0004665800000000, 0.0001116500000000, 0.0001138800000000 ] - [ -0.0005190500000000, -0.0001492600000000, 0.0000544400000000 ] - [ 0.0044970000000000, -0.0004951400000000, 0.0006634700000000 ] - [ -0.0000850400000000, -0.0002327600000000, 0.0000248100000000 ] - [ -0.0004472800000000, -0.0001693500000000, 0.0000370200000000 ] - [ 0.0008092300000000, -0.0028120400000000, 0.0005638900000000 ] - [ 0.0000801400000000, -0.0003941800000000, 0.0000795900000000 ] - [ -0.0000788600000000, -0.0002055300000000, 0.0002200500000000 ] - [ -0.0003109000000000, -0.0002072900000000, 0.0001947300000000 ] - [ -0.0001881600000000, 0.0002723500000000, 0.0001223200000000 ] - [ 0.0000354700000000, -0.0004319400000000, 0.0001291500000000 ] - [ 0.0000349700000000, 0.0000220000000000, 0.0000170300000000 ] - [ -0.0001337100000000, 0.0002982300000000, 0.0001074300000000 ] - [ -0.0006164100000000, -0.0000476800000000, -0.0000171800000000 ] - [ 0.0000066200000000, 0.0001136600000000, 0.0000377300000000 ] - [ 0.0000259200000000, 0.0022848200000000, -0.0001024600000000 ] - [ -0.0001195300000000, 0.0007873300000000, -0.0000044000000000 ] - [ -0.0011771200000000, -0.0004539900000000, -0.0002545200000000 ] - [ -0.0005401900000000, 0.0002941300000000, -0.0000082800000000 ] - [ 0.0271676100000000, -0.0043309800000000, -0.0268275900000000 ] - [ 0.0000545100000000, -0.0005066700000000, -0.0001085900000000 ] - [ 0.0025583700000000, -0.0021339400000000, 0.0034255800000000 ] - [ 0.0012014600000000, 0.0027164300000000, 0.0008704900000000 ] - [ 0.0006012900000000, -0.0001572600000000, 0.0000942100000000 ] - [ -0.0001472200000000, -0.0007148600000000, 0.0003920100000000 ] - [ -0.0009783200000000, 0.0018880100000000, 0.0004913100000000 ] - [ -0.0021879600000000, -0.0000433900000000, -0.0000265000000000 ] - [ -0.0013856700000000, -0.0005316600000000, 0.0001073200000000 ] - [ -0.0006256100000000, 0.0008864200000000, -0.0000192500000000 ] - [ -0.0011625900000000, 0.0011121900000000, 0.0000379800000000 ] - [ -0.0003224600000000, -0.0008504400000000, -0.0002950100000000 ] - [ -0.0012550900000000, -0.0000858700000000, 0.0004159700000000 ] - [ 0.0005904800000000, 0.0007094700000000, -0.0000185500000000 ] - [ 0.0000354800000000, 0.0000230100000000, -0.0000105800000000 ] - [ 0.0001799900000000, -0.0008385700000000, -0.0002847600000000 ] - [ 0.0000536000000000, 0.0001532000000000, 0.0003998500000000 ] - [ -0.0056466500000000, 0.0034438100000000, -0.0019794400000000 ] - [ -0.0010980100000000, 0.0001067000000000, -0.0000452600000000 ] - [ 0.0000891500000000, 0.0012951000000000, -0.0003116900000000 ] - [ -0.0009085500000000, -0.0014310400000000, -0.0008314500000000 ] - [ -0.0000867200000000, -0.0005024600000000, -0.0002192800000000 ] - [ -0.0009952600000000, 0.0009418200000000, 0.0000728000000000 ] - [ 0.0002124300000000, 0.0002350900000000, 0.0002783500000000 ] - [ -0.0001390500000000, 0.0010947300000000, -0.0006009700000000 ] - [ 0.0003801500000000, -0.0009484300000000, 0.0002966600000000 ] - [ 0.0007390000000000, -0.0014027900000000, 0.0003110700000000 ] - [ -0.0016580600000000, -0.0026654200000000, 0.0003900200000000 ] - [ -0.0017929000000000, -0.0008471900000000, 0.0013372200000000 ] - [ -0.0002221200000000, -0.0002569300000000, -0.0006052600000000 ] - [ -0.0015290100000000, 0.0003239700000000, -0.0005336100000000 ] - [ 0.0033635700000000, 0.0014076700000000, -0.0008747100000000 ] - [ -0.0060735800000000, -0.0025941200000000, 0.0019962500000000 ] - [ -0.0018083100000000, -0.0008254300000000, 0.0003685500000000 ] - [ -0.0006175200000000, -0.0006757700000000, -0.0005827900000000 ] - [ -0.0002404800000000, -0.0001902500000000, -0.0005653700000000 ] - [ 0.0013946500000000, -0.0032866200000000, -0.0020446200000000 ] - [ 0.0009662500000000, -0.0005249200000000, -0.0004551100000000 ] - [ -0.0010740800000000, -0.0002116600000000, -0.0006136000000000 ] - [ 0.0497100400000000, -0.0057897000000000, 0.0464045900000000 ] - [ -0.0019549800000000, -0.0002865000000000, -0.0008115100000000 ] - [ -0.0004414300000000, 0.0016769100000000, 0.0003131600000000 ] - [ -0.0011843900000000, 0.0022685100000000, -0.0007387500000000 ] - [ -0.0001234400000000, -0.0006343000000000, -0.0007300400000000 ] - [ -0.0003105700000000, 0.0011757100000000, 0.0004147000000000 ] - [ 0.0014217600000000, 0.0003906500000000, -0.0000562400000000 ] - [ -0.0785882700000000, 0.0116275500000000, -0.0255275700000000 ] - [ 0.0003369800000000, 0.0007290100000000, 0.0001089800000000 ] - [ 0.0005170600000000, 0.0000014400000000, 0.0001628600000000 ] - [ -0.0002468500000000, 0.0009645900000000, 0.0000722200000000 ] - [ 0.0002364200000000, 0.0012965400000000, 0.0003601800000000 ] - [ 0.0004645000000000, -0.0002759000000000, -0.0002657200000000 ] - [ 0.0008308400000000, 0.0004664900000000, 0.0001762800000000 ] - [ 0.0006432500000000, 0.0001114800000000, -0.0002228100000000 ] - [ -0.0003585100000000, -0.0001138900000000, -0.0000364700000000 ] - [ 0.0006223400000000, 0.0008560300000000, -0.0000679900000000 ] - [ 0.0008606300000000, -0.0006871000000000, 0.0001575600000000 ] - [ -0.0005781800000000, 0.0005081900000000, -0.0003555100000000 ] - [ -0.0005008800000000, -0.0009191000000000, -0.0004217300000000 ] - [ 0.0011916200000000, 0.0007769400000000, 0.0000427100000000 ] - [ 0.0009718600000000, -0.0001020500000000, 0.0000962900000000 ] - [ -0.0010950100000000, 0.0036783900000000, 0.0003545100000000 ] - [ 0.0004973800000000, -0.0000652600000000, -0.0001010700000000 ] - [ 0.0009384900000000, 0.0016275200000000, -0.0003888800000000 ] - [ -0.0016536200000000, -0.0006410600000000, 0.0003879400000000 ] - [ 0.0002631800000000, 0.0000028800000000, 0.0000275500000000 ] - [ -0.0088049000000000, -0.0005421500000000, -0.0002373400000000 ] - [ -0.0005780200000000, 0.0005489900000000, -0.0000537800000000 ] - [ -0.0003568500000000, 0.0003207200000000, 0.0006478500000000 ] - [ 0.0014440300000000, 0.0016631100000000, -0.0001313800000000 ] - [ -0.0009639500000000, -0.0002894700000000, -0.0001449400000000 ] - [ -0.0003480100000000, -0.0017458800000000, 0.0016834300000000 ] - [ -0.0002422000000000, -0.0002001400000000, -0.0002723900000000 ] - [ -0.0004051100000000, -0.0003763500000000, 0.0000407900000000 ] - [ -0.0000646000000000, 0.0009053000000000, 0.0000090800000000 ] - [ 0.0008208100000000, -0.0005363900000000, 0.0001574600000000 ] - [ -0.0005910200000000, -0.0001551400000000, 0.0001687700000000 ] - [ -0.0003660300000000, 0.0003666700000000, 0.0001439300000000 ] - [ 0.0006513400000000, -0.0002768100000000, 0.0004200600000000 ] - [ 0.0004132100000000, -0.0000293000000000, 0.0000764500000000 ] - [ 0.0007112500000000, 0.0009923200000000, -0.0004195000000000 ] - [ 0.0006771500000000, -0.0004694300000000, -0.0000593000000000 ] - [ -0.0006303800000000, -0.0003134400000000, -0.0000039800000000 ] - [ 0.0004583900000000, -0.0000124900000000, -0.0000620000000000 ] - [ 0.0002133600000000, -0.0005459200000000, -0.0001125800000000 ] - [ 0.0007158000000000, -0.0006913100000000, 0.0001044600000000 ] - [ 0.0003125400000000, -0.0016281000000000, -0.0008088700000000 ] - [ 0.0003679100000000, -0.0000327900000000, 0.0000371100000000 ] - [ 0.0010063000000000, -0.0003011800000000, -0.0010619100000000 ] - [ -0.0016104100000000, 0.0009789300000000, 0.0005708100000000 ] - [ 0.0006526600000000, -0.0006627800000000, 0.0000683000000000 ] - [ -0.0059574500000000, 0.0006132100000000, 0.0002395100000000 ] - [ 0.0007617500000000, 0.0012709200000000, 0.0003000100000000 ] - [ 0.0006995500000000, 0.0000218700000000, 0.0008217000000000 ] - [ -0.0004731100000000, 0.0001837700000000, -0.0002259700000000 ] - [ 0.0004401100000000, 0.0009868200000000, -0.0003102300000000 ] - [ -0.0062442000000000, -0.0035061500000000, -0.0110866000000000 ] - [ 0.0001408700000000, 0.0001285400000000, -0.0002312400000000 ] - [ -0.0000325400000000, -0.0003907300000000, 0.0008329300000000 ] - [ -0.0027285000000000, 0.0031724300000000, 0.0045108900000000 ] - [ -0.0004378000000000, -0.0004329700000000, -0.0000279100000000 ] - [ -0.0006804100000000, 0.0000712800000000, -0.0003276500000000 ] - [ -0.0002272600000000, 0.0009732500000000, 0.0004849500000000 ] - [ 0.0021918800000000, -0.0019446800000000, 0.0002098500000000 ] - [ 0.0003450400000000, -0.0001072700000000, -0.0002312800000000 ] - [ 0.0003752000000000, -0.0003260100000000, -0.0002209000000000 ] - [ 0.0004986300000000, -0.0000291000000000, 0.0007902200000000 ] - [ 0.0138041600000000, 0.0007669100000000, 0.0222077400000000 ] - [ -0.0000264700000000, 0.0004000100000000, 0.0000417800000000 ] - [ 0.0001292700000000, 0.0001837700000000, -0.0000518700000000 ] - [ 0.0004887100000000, -0.0000651500000000, -0.0001994900000000 ] - [ 0.0001466300000000, -0.0006970900000000, 0.0000884800000000 ] - [ 0.0000937000000000, 0.0003438300000000, 0.0007725100000000 ] - [ -0.0002582600000000, 0.0013536000000000, -0.0006436200000000 ] - [ -0.0003756100000000, -0.0003014100000000, -0.0002523000000000 ] - [ 0.0014055200000000, 0.0001241400000000, 0.0001901400000000 ] - [ 0.0003480400000000, -0.0007545600000000, -0.0000084100000000 ] - [ 0.0082318200000000, -0.0028442500000000, -0.0119250700000000 ] - [ 0.0000354900000000, -0.0000446100000000, -0.0001948900000000 ] - [ 0.0008721200000000, 0.0001221300000000, 0.0000969300000000 ] - [ 0.0014708800000000, -0.0002310700000000, 0.0002537300000000 ] - [ -0.0011331300000000, -0.0007322500000000, -0.0003154200000000 ] - [ -0.0004336700000000, -0.0012160500000000, -0.0001592400000000 ] - [ 0.0001143500000000, -0.0000936300000000, -0.0000655500000000 ] - [ -0.0002089900000000, 0.0005902200000000, -0.0000131600000000 ] - [ 0.0001802600000000, -0.0001632600000000, -0.0001582700000000 ] - [ 0.0008388000000000, 0.0004781900000000, 0.0000162500000000 ] - [ 0.0000738600000000, 0.0008348400000000, -0.0004169200000000 ] - [ 0.0004397700000000, -0.0002083000000000, -0.0000603100000000 ] - [ 0.0024732000000000, -0.0008558000000000, 0.0000208800000000 ] - [ 0.0004550700000000, -0.0001542400000000, -0.0000645700000000 ] - [ 0.0005627800000000, 0.0000643500000000, -0.0002113100000000 ] - [ 0.0009990500000000, 0.0007874500000000, 0.0000261700000000 ] - [ 0.0013023600000000, -0.0005125500000000, -0.0000379300000000 ] - [ 0.0022767100000000, 0.0011557400000000, -0.0003251200000000 ] - [ 0.0011381700000000, -0.0007859600000000, 0.0001325900000000 ] - [ -0.0002421700000000, -0.0000426300000000, -0.0000892100000000 ] - [ 0.0002492100000000, 0.0000524600000000, 0.0007821200000000 ] - [ -0.0000215800000000, -0.0013548300000000, -0.0004535200000000 ] - [ 0.0013398600000000, -0.0001961900000000, -0.0006238300000000 ] - [ -0.0000367400000000, 0.0001405400000000, 0.0000911900000000 ] - [ -0.0004537700000000, -0.0012119600000000, 0.0000968400000000 ]- atom: 73 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0006180200000000, -0.0002298000000000, 0.0001289300000000 ] - [ -0.0010647500000000, 0.0010586500000000, 0.0005220200000000 ] - [ 0.0009194800000000, -0.0000375700000000, 0.0002578900000000 ] - [ -0.0001756600000000, -0.0004824400000000, 0.0002219600000000 ] - [ -0.0001753300000000, 0.0001567600000000, -0.0000230400000000 ] - [ -0.0009315700000000, -0.0008954900000000, 0.0003125300000000 ] - [ -0.0000029200000000, -0.0001715900000000, 0.0000582600000000 ] - [ 0.0005222200000000, -0.0001452900000000, 0.0001118500000000 ] - [ 0.0005205300000000, 0.0001502400000000, 0.0000573800000000 ] - [ -0.0048692900000000, 0.0003488200000000, -0.0002296800000000 ] - [ 0.0003829600000000, 0.0004307600000000, 0.0000089500000000 ] - [ 0.0004495200000000, 0.0001719400000000, 0.0000214800000000 ] - [ -0.0007688600000000, 0.0028488700000000, -0.0004449500000000 ] - [ -0.0001367300000000, 0.0003638100000000, 0.0001464200000000 ] - [ -0.0001104700000000, 0.0002290500000000, 0.0002392300000000 ] - [ 0.0002371000000000, 0.0003809500000000, 0.0002647000000000 ] - [ 0.0001875100000000, -0.0003328600000000, 0.0001031600000000 ] - [ 0.0000162800000000, 0.0004613000000000, 0.0000960200000000 ] - [ -0.0000581700000000, 0.0003373300000000, 0.0000174100000000 ] - [ 0.0001351700000000, -0.0002362600000000, 0.0001176800000000 ] - [ 0.0009397100000000, -0.0001124200000000, 0.0000527500000000 ] - [ -0.0000066300000000, -0.0001163900000000, 0.0000209700000000 ] - [ 0.0000065500000000, -0.0026388300000000, 0.0001340600000000 ] - [ -0.0002054600000000, -0.0006312800000000, 0.0000398600000000 ] - [ 0.0010308700000000, -0.0008270400000000, -0.0002459600000000 ] - [ 0.0002698600000000, 0.0000538500000000, -0.0000397300000000 ] - [ -0.0263046800000000, 0.0032462900000000, 0.0268378300000000 ] - [ 0.0011241900000000, 0.0010329200000000, -0.0003905600000000 ] - [ -0.0026348000000000, 0.0021593200000000, -0.0026492000000000 ] - [ -0.0015517300000000, -0.0043307200000000, -0.0009931500000000 ] - [ -0.0022093600000000, -0.0003951000000000, -0.0001975400000000 ] - [ 0.0001673400000000, 0.0006750100000000, 0.0004114900000000 ] - [ 0.0009331600000000, -0.0018786800000000, 0.0003136800000000 ] - [ 0.0011487700000000, 0.0008168900000000, -0.0004754600000000 ] - [ 0.0017116800000000, 0.0021940800000000, -0.0002147400000000 ] - [ 0.0002005900000000, -0.0009632400000000, -0.0000241500000000 ] - [ 0.0011751400000000, -0.0010782200000000, 0.0007682700000000 ] - [ -0.0009690800000000, 0.0019620600000000, 0.0001846400000000 ] - [ 0.0012418000000000, 0.0000415800000000, 0.0003834100000000 ] - [ -0.0003147300000000, -0.0010576700000000, -0.0000290800000000 ] - [ 0.0001294200000000, 0.0003882600000000, -0.0000278500000000 ] - [ -0.0013573500000000, 0.0003108100000000, -0.0002145200000000 ] - [ -0.0000064000000000, -0.0001576200000000, 0.0004039500000000 ] - [ 0.0072586700000000, -0.0028807400000000, 0.0018792300000000 ] - [ 0.0015285200000000, -0.0000341800000000, 0.0000023500000000 ] - [ 0.0000585700000000, -0.0000149500000000, -0.0001889400000000 ] - [ 0.0007371800000000, 0.0010282800000000, 0.0008021800000000 ] - [ 0.0011343100000000, -0.0002692000000000, -0.0002786400000000 ] - [ 0.0012525900000000, -0.0019913000000000, -0.0012164100000000 ] - [ 0.0014453800000000, 0.0001347900000000, 0.0003963500000000 ] - [ -0.0000654400000000, -0.0004675400000000, -0.0006745100000000 ] - [ 0.0007775700000000, -0.0002966700000000, 0.0003737700000000 ] - [ -0.0000640000000000, 0.0008605000000000, 0.0000521900000000 ] - [ 0.0015164300000000, 0.0018327600000000, -0.0000382500000000 ] - [ 0.0006281100000000, 0.0021003200000000, -0.0006800000000000 ] - [ 0.0009339100000000, 0.0001245400000000, -0.0006619300000000 ] - [ 0.0012663300000000, 0.0007078900000000, -0.0006030800000000 ] - [ -0.0032699700000000, -0.0005594200000000, 0.0012470900000000 ] - [ 0.0052997200000000, 0.0022818600000000, -0.0016447700000000 ] - [ 0.0013089400000000, -0.0007889300000000, 0.0003026200000000 ] - [ -0.0004371200000000, 0.0009614200000000, -0.0005564600000000 ] - [ -0.0005066900000000, -0.0005734500000000, -0.0005716300000000 ] - [ -0.0003573300000000, 0.0029852000000000, 0.0009095300000000 ] - [ -0.0013842000000000, -0.0000436300000000, -0.0008192500000000 ] - [ 0.0012814500000000, -0.0004164000000000, -0.0006619100000000 ] - [ -0.0510117400000000, 0.0063570100000000, -0.0460385700000000 ] - [ 0.0012498400000000, 0.0004208900000000, -0.0004510500000000 ] - [ 0.0009478600000000, -0.0000651400000000, 0.0003591500000000 ] - [ 0.0019342500000000, -0.0015013300000000, -0.0003982400000000 ] - [ 0.0005460400000000, 0.0011967900000000, -0.0005409500000000 ] - [ -0.0013424900000000, -0.0015439900000000, 0.0002616100000000 ] - [ -0.0006493700000000, -0.0000765000000000, 0.0004047200000000 ] - [ 0.0803731900000000, -0.0114632800000000, 0.0255242500000000 ] - [ 0.0003850000000000, -0.0003761900000000, 0.0001471000000000 ] - [ 0.0003455900000000, 0.0002621000000000, 0.0000939000000000 ] - [ -0.0005396800000000, -0.0005164200000000, -0.0000019400000000 ] - [ -0.0000778800000000, -0.0014479800000000, -0.0004023600000000 ] - [ -0.0002737700000000, 0.0005598500000000, 0.0001489100000000 ] - [ -0.0007641400000000, 0.0000161300000000, -0.0005183000000000 ] - [ -0.0017427900000000, -0.0001575200000000, 0.0002271500000000 ] - [ -0.0003554900000000, 0.0003673800000000, -0.0000073800000000 ] - [ -0.0011913300000000, -0.0004754900000000, 0.0002389900000000 ] - [ -0.0002378100000000, -0.0002917500000000, -0.0001320100000000 ] - [ -0.0008157000000000, 0.0003915800000000, -0.0003540900000000 ] - [ 0.0010827200000000, 0.0005260400000000, 0.0005879200000000 ] - [ -0.0012137300000000, 0.0001314300000000, 0.0000270900000000 ] - [ 0.0001234600000000, 0.0001502500000000, -0.0000912900000000 ] - [ 0.0009618600000000, -0.0033820900000000, -0.0004722900000000 ] - [ -0.0006847000000000, -0.0002150500000000, -0.0000183400000000 ] - [ -0.0008540200000000, -0.0012674900000000, -0.0000427500000000 ] - [ 0.0017060800000000, 0.0008386700000000, -0.0004272100000000 ] - [ -0.0000402300000000, -0.0005033900000000, 0.0000707500000000 ] - [ 0.0093462400000000, 0.0007843800000000, 0.0000280600000000 ] - [ 0.0007911500000000, -0.0004956000000000, 0.0000085500000000 ] - [ 0.0005078300000000, -0.0002965900000000, 0.0009675900000000 ] - [ -0.0014983100000000, -0.0018742200000000, 0.0000887200000000 ] - [ 0.0005780200000000, 0.0005871700000000, -0.0001848400000000 ] - [ 0.0007984600000000, 0.0013727100000000, -0.0018268100000000 ] - [ -0.0012283100000000, -0.0005536900000000, -0.0004347400000000 ] - [ 0.0002938100000000, -0.0001898700000000, -0.0001732800000000 ] - [ -0.0000497100000000, -0.0001865200000000, -0.0000421000000000 ] - [ -0.0006144000000000, 0.0014185400000000, 0.0001020700000000 ] - [ 0.0005469200000000, -0.0005283400000000, 0.0000030800000000 ] - [ -0.0002468200000000, -0.0006698400000000, 0.0000307100000000 ] - [ -0.0012243300000000, -0.0002089200000000, -0.0004668700000000 ] - [ 0.0002474300000000, -0.0005832200000000, 0.0001781200000000 ] - [ -0.0006271600000000, 0.0006559500000000, -0.0002875700000000 ] - [ -0.0009935400000000, 0.0000163200000000, 0.0001554800000000 ] - [ -0.0001583200000000, -0.0001431400000000, 0.0000775600000000 ] - [ -0.0009136400000000, -0.0001795600000000, -0.0002746000000000 ] - [ 0.0002407800000000, 0.0007386800000000, -0.0002240900000000 ] - [ -0.0004017700000000, 0.0011496800000000, -0.0000100300000000 ] - [ -0.0002766900000000, 0.0007221700000000, 0.0008878900000000 ] - [ 0.0001823300000000, -0.0000196500000000, 0.0000601100000000 ] - [ -0.0016766800000000, 0.0007403500000000, 0.0013266900000000 ] - [ 0.0008911800000000, -0.0013274800000000, -0.0003175700000000 ] - [ -0.0008603000000000, -0.0002108500000000, 0.0001894400000000 ] - [ 0.0058189500000000, -0.0004822400000000, -0.0002465800000000 ] - [ -0.0002310900000000, -0.0002893500000000, -0.0002939000000000 ] - [ -0.0005995600000000, -0.0001494400000000, 0.0007969200000000 ] - [ 0.0008160200000000, -0.0002533400000000, -0.0000395000000000 ] - [ -0.0005095400000000, -0.0011040400000000, 0.0003294600000000 ] - [ 0.0061972800000000, 0.0037867100000000, 0.0107755200000000 ] - [ 0.0013260900000000, 0.0006245900000000, -0.0004751900000000 ] - [ -0.0000261900000000, 0.0002475200000000, 0.0007779000000000 ] - [ 0.0035380400000000, -0.0036226000000000, -0.0044509800000000 ] - [ -0.0000908500000000, -0.0005490300000000, 0.0000352200000000 ] - [ 0.0008010300000000, -0.0007777200000000, 0.0002963400000000 ] - [ -0.0004200300000000, -0.0003606300000000, -0.0002308800000000 ] - [ -0.0014042100000000, 0.0023970600000000, -0.0001368900000000 ] - [ -0.0000582800000000, -0.0001581000000000, -0.0002051100000000 ] - [ -0.0000060700000000, 0.0004432400000000, -0.0002121500000000 ] - [ -0.0004412500000000, 0.0001712200000000, 0.0008190200000000 ] - [ -0.0138533900000000, -0.0007688300000000, -0.0219482400000000 ] - [ 0.0000976900000000, -0.0002835200000000, -0.0000250100000000 ] - [ 0.0000259600000000, -0.0004879000000000, -0.0000689300000000 ] - [ -0.0008595200000000, -0.0000503400000000, -0.0002337800000000 ] - [ -0.0000741500000000, 0.0005700900000000, -0.0000718100000000 ] - [ -0.0002431600000000, -0.0003670200000000, 0.0008399200000000 ] - [ 0.0000519200000000, -0.0008583900000000, 0.0007505900000000 ] - [ 0.0000864600000000, 0.0005664800000000, -0.0001854400000000 ] - [ -0.0012756400000000, -0.0001308300000000, -0.0001733800000000 ] - [ -0.0006882600000000, 0.0007704700000000, -0.0001148600000000 ] - [ -0.0085090300000000, 0.0028595700000000, 0.0115345800000000 ] - [ -0.0001225200000000, -0.0003304200000000, -0.0002415100000000 ] - [ -0.0002059200000000, -0.0005531500000000, 0.0001541100000000 ] - [ -0.0014256500000000, 0.0009096800000000, -0.0000849000000000 ] - [ 0.0013540900000000, 0.0009793800000000, 0.0000424200000000 ] - [ -0.0001182400000000, 0.0012643300000000, 0.0002547400000000 ] - [ 0.0002251800000000, 0.0000755400000000, -0.0000567700000000 ] - [ -0.0003327100000000, -0.0007736600000000, -0.0001148600000000 ] - [ -0.0002463500000000, -0.0003210600000000, -0.0001773200000000 ] - [ -0.0002699300000000, 0.0000123700000000, -0.0000574900000000 ] - [ 0.0000184900000000, -0.0011295200000000, 0.0001337400000000 ] - [ -0.0005133900000000, 0.0003353000000000, 0.0000782400000000 ] - [ -0.0023566300000000, 0.0014178300000000, -0.0001531900000000 ] - [ -0.0005908100000000, 0.0001603600000000, 0.0000813600000000 ] - [ -0.0001825600000000, -0.0003631700000000, -0.0001200700000000 ] - [ -0.0014337800000000, -0.0004033600000000, -0.0001524800000000 ] - [ -0.0005896100000000, 0.0002597600000000, -0.0000062600000000 ] - [ -0.0024886600000000, -0.0014061500000000, 0.0000545900000000 ] - [ -0.0011657200000000, -0.0000143900000000, 0.0001204400000000 ] - [ -0.0003842500000000, 0.0010213900000000, 0.0001164600000000 ] - [ -0.0003515100000000, 0.0000759600000000, 0.0008368800000000 ] - [ -0.0000654900000000, -0.0002927500000000, -0.0002532700000000 ] - [ 0.0000505300000000, -0.0007081700000000, -0.0000815600000000 ] - [ 0.0000631600000000, 0.0006582000000000, 0.0001615100000000 ] - [ -0.0004089800000000, 0.0009469300000000, 0.0001593700000000 ]- atom: 73 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0004896400000000, -0.0000502900000000, 0.0001304600000000 ] - [ -0.0014158700000000, 0.0006800200000000, 0.0003448900000000 ] - [ 0.0005477300000000, 0.0002543300000000, 0.0002594400000000 ] - [ 0.0002589000000000, -0.0007587800000000, 0.0002079300000000 ] - [ -0.0003936200000000, 0.0016471300000000, -0.0001268100000000 ] - [ 0.0005667200000000, -0.0006273000000000, 0.0006522600000000 ] - [ 0.0001869100000000, -0.0004474500000000, 0.0000698000000000 ] - [ 0.0004061700000000, -0.0000439200000000, 0.0001104000000000 ] - [ 0.0000515600000000, 0.0001073700000000, 0.0000463000000000 ] - [ -0.0021647800000000, 0.0023774100000000, -0.0000297500000000 ] - [ 0.0000413700000000, 0.0000506400000000, 0.0000050700000000 ] - [ 0.0000841500000000, 0.0001365800000000, 0.0000350400000000 ] - [ -0.0028487800000000, 0.0006420800000000, -0.0000264300000000 ] - [ -0.0005146400000000, -0.0003253800000000, 0.0001521200000000 ] - [ -0.0003364100000000, -0.0003014600000000, 0.0002287600000000 ] - [ -0.0000977500000000, 0.0000756900000000, 0.0002336200000000 ] - [ 0.0002904200000000, -0.0003526200000000, 0.0001135000000000 ] - [ -0.0004721300000000, -0.0003334000000000, 0.0000995300000000 ] - [ -0.0002056100000000, -0.0001430400000000, -0.0000069800000000 ] - [ 0.0002467400000000, -0.0003101400000000, 0.0001159000000000 ] - [ 0.0005579700000000, 0.0000874500000000, 0.0000131600000000 ] - [ 0.0002268800000000, -0.0004571500000000, 0.0000105200000000 ] - [ 0.0019455800000000, -0.0024784300000000, -0.0000807100000000 ] - [ 0.0003898000000000, -0.0008722900000000, 0.0000125800000000 ] - [ 0.0006931600000000, -0.0007872400000000, -0.0002737200000000 ] - [ -0.0002325200000000, -0.0002754200000000, 0.0000137500000000 ] - [ -0.0158236600000000, 0.0208909800000000, 0.0275295200000000 ] - [ 0.0002339200000000, 0.0000837700000000, -0.0002373000000000 ] - [ -0.0059659400000000, -0.0036199700000000, 0.0006259100000000 ] - [ 0.0008250600000000, -0.0049262300000000, -0.0022440400000000 ] - [ -0.0021583900000000, -0.0020678100000000, 0.0002992200000000 ] - [ -0.0004848900000000, -0.0004207800000000, 0.0004155100000000 ] - [ 0.0010645300000000, -0.0006719900000000, 0.0003042200000000 ] - [ 0.0004565300000000, 0.0016712200000000, -0.0003978900000000 ] - [ 0.0003485600000000, 0.0019449700000000, 0.0002750700000000 ] - [ 0.0004974900000000, -0.0010423300000000, -0.0000087200000000 ] - [ 0.0022844500000000, -0.0004764700000000, 0.0006719800000000 ] - [ -0.0017522200000000, 0.0006783100000000, 0.0000103900000000 ] - [ 0.0003429300000000, 0.0000910100000000, 0.0003906600000000 ] - [ 0.0009534400000000, -0.0012846200000000, 0.0000850400000000 ] - [ -0.0002824200000000, -0.0005882300000000, -0.0000199000000000 ] - [ -0.0004568400000000, -0.0017264900000000, -0.0005434300000000 ] - [ 0.0003279300000000, -0.0011250600000000, 0.0004037400000000 ] - [ 0.0038357700000000, 0.0001273100000000, 0.0005812900000000 ] - [ 0.0008754600000000, 0.0002242700000000, 0.0000014300000000 ] - [ 0.0006119600000000, -0.0004177600000000, -0.0001611500000000 ] - [ -0.0015032500000000, 0.0010405300000000, 0.0002258100000000 ] - [ 0.0010669400000000, -0.0007890000000000, -0.0003145100000000 ] - [ 0.0027347600000000, -0.0005907400000000, -0.0010157600000000 ] - [ 0.0008566900000000, -0.0004721800000000, 0.0003383300000000 ] - [ 0.0006136300000000, -0.0008670700000000, -0.0007208600000000 ] - [ 0.0003844800000000, -0.0015499200000000, 0.0004156400000000 ] - [ -0.0010901400000000, -0.0004470900000000, 0.0001924500000000 ] - [ -0.0002066100000000, 0.0013762000000000, -0.0002679200000000 ] - [ -0.0022311200000000, 0.0014484200000000, -0.0002993900000000 ] - [ 0.0009334200000000, -0.0003714000000000, -0.0006076600000000 ] - [ 0.0003441400000000, 0.0005902700000000, -0.0005463000000000 ] - [ 0.0018038800000000, -0.0028060600000000, 0.0019694100000000 ] - [ 0.0038241300000000, 0.0029118800000000, -0.0013190300000000 ] - [ 0.0005319700000000, -0.0005259700000000, 0.0003285200000000 ] - [ -0.0011298200000000, -0.0003099700000000, -0.0005477100000000 ] - [ 0.0000164900000000, -0.0014556200000000, -0.0005324600000000 ] - [ -0.0017334700000000, -0.0016585200000000, -0.0037934400000000 ] - [ 0.0002349500000000, -0.0022253100000000, -0.0006594300000000 ] - [ 0.0009600500000000, -0.0002983300000000, -0.0006708900000000 ] - [ -0.0317558900000000, 0.0390432300000000, -0.0425024600000000 ] - [ 0.0002867600000000, 0.0014299800000000, -0.0004515900000000 ] - [ 0.0012925800000000, -0.0003099400000000, 0.0003397700000000 ] - [ 0.0017553600000000, -0.0004149700000000, -0.0004863900000000 ] - [ -0.0002328100000000, 0.0001641600000000, -0.0005867700000000 ] - [ -0.0001349600000000, -0.0015069600000000, 0.0003320900000000 ] - [ -0.0007433200000000, -0.0026822200000000, 0.0000774300000000 ] - [ 0.0503950200000000, -0.0521534300000000, 0.0197935100000000 ] - [ 0.0005982200000000, 0.0003599100000000, 0.0001506600000000 ] - [ 0.0004586700000000, 0.0007424100000000, 0.0000528900000000 ] - [ 0.0000501500000000, 0.0005421300000000, 0.0000348900000000 ] - [ 0.0008463900000000, -0.0008320300000000, 0.0000680600000000 ] - [ -0.0008341100000000, 0.0001547300000000, 0.0000637200000000 ] - [ 0.0002074000000000, -0.0007495500000000, -0.0001667700000000 ] - [ -0.0010919200000000, -0.0003645200000000, 0.0001308700000000 ] - [ -0.0008184200000000, 0.0006136900000000, -0.0000245200000000 ] - [ -0.0002120100000000, -0.0004285500000000, 0.0001514900000000 ] - [ 0.0000265300000000, -0.0002722200000000, -0.0000868100000000 ] - [ -0.0009042100000000, 0.0009604500000000, -0.0004369700000000 ] - [ -0.0001385600000000, 0.0012325500000000, -0.0000836200000000 ] - [ -0.0003742200000000, 0.0001907700000000, -0.0000362700000000 ] - [ 0.0000232100000000, 0.0003403000000000, -0.0000908700000000 ] - [ 0.0031399200000000, 0.0037748200000000, 0.0015206100000000 ] - [ -0.0002718600000000, -0.0001865800000000, -0.0000684600000000 ] - [ 0.0004480900000000, -0.0010194600000000, -0.0000187300000000 ] - [ 0.0012674000000000, 0.0027772600000000, 0.0005980600000000 ] - [ 0.0004497300000000, 0.0000034600000000, 0.0000202200000000 ] - [ 0.0042488300000000, 0.0059609900000000, -0.0160521300000000 ] - [ 0.0013912800000000, 0.0003907600000000, -0.0003507800000000 ] - [ 0.0000106500000000, 0.0008172800000000, 0.0009843600000000 ] - [ -0.0008220700000000, -0.0023654100000000, -0.0001891300000000 ] - [ -0.0005997600000000, 0.0010374800000000, -0.0003669900000000 ] - [ -0.0015804300000000, 0.0004585300000000, -0.0013887800000000 ] - [ -0.0005904700000000, -0.0002522000000000, -0.0003228000000000 ] - [ -0.0002793500000000, 0.0009649300000000, -0.0000523900000000 ] - [ 0.0002109300000000, 0.0005224800000000, 0.0000240700000000 ] - [ -0.0009278600000000, 0.0012068500000000, 0.0000774700000000 ] - [ 0.0004772300000000, 0.0005635700000000, -0.0000368100000000 ] - [ 0.0001751600000000, -0.0001744600000000, 0.0000328700000000 ] - [ -0.0013123700000000, -0.0009383500000000, -0.0002979300000000 ] - [ 0.0007762100000000, 0.0000116500000000, 0.0000626000000000 ] - [ -0.0003207400000000, 0.0005986100000000, -0.0002814800000000 ] - [ -0.0004944700000000, -0.0002749700000000, 0.0000913400000000 ] - [ -0.0004844000000000, 0.0007568800000000, -0.0000078500000000 ] - [ -0.0006471600000000, -0.0002803900000000, -0.0002372900000000 ] - [ -0.0000231700000000, 0.0009349500000000, -0.0001932900000000 ] - [ -0.0008095700000000, 0.0011813700000000, -0.0000750700000000 ] - [ -0.0019859700000000, 0.0003268200000000, 0.0008410300000000 ] - [ 0.0003929400000000, 0.0005852300000000, 0.0000264300000000 ] - [ -0.0016566700000000, -0.0003852100000000, 0.0007502100000000 ] - [ -0.0002541700000000, 0.0007196800000000, 0.0005694800000000 ] - [ -0.0004383900000000, -0.0004484900000000, 0.0001599100000000 ] - [ 0.0024290700000000, 0.0007026200000000, -0.0087726700000000 ] - [ 0.0005822900000000, 0.0003811100000000, -0.0000183200000000 ] - [ -0.0002883700000000, -0.0005218600000000, 0.0008186600000000 ] - [ 0.0013260500000000, 0.0005250100000000, 0.0001974000000000 ] - [ 0.0004640300000000, -0.0001242600000000, 0.0000732500000000 ] - [ 0.0009775600000000, -0.0024867400000000, 0.0164174500000000 ] - [ 0.0004044400000000, 0.0009598900000000, -0.0002616200000000 ] - [ -0.0003064200000000, 0.0004054400000000, 0.0007653700000000 ] - [ 0.0035595100000000, -0.0015817800000000, 0.0039950100000000 ] - [ -0.0001295000000000, 0.0005679600000000, -0.0002717800000000 ] - [ 0.0003028200000000, 0.0015528400000000, -0.0000751900000000 ] - [ 0.0015849600000000, 0.0003238500000000, 0.0006866300000000 ] - [ -0.0008158100000000, 0.0006458200000000, -0.0002473200000000 ] - [ 0.0001591900000000, 0.0001027400000000, -0.0002193300000000 ] - [ -0.0002183900000000, 0.0005188000000000, -0.0002207500000000 ] - [ -0.0002934300000000, 0.0001506600000000, 0.0008233900000000 ] - [ -0.0034787100000000, -0.0072765800000000, -0.0083442600000000 ] - [ 0.0003018700000000, 0.0009245500000000, 0.0001753600000000 ] - [ 0.0003182200000000, 0.0000328600000000, -0.0000853700000000 ] - [ -0.0005255800000000, -0.0001633000000000, -0.0002409000000000 ] - [ -0.0006027800000000, 0.0008736100000000, -0.0001745600000000 ] - [ 0.0001771800000000, 0.0000453200000000, 0.0007870400000000 ] - [ 0.0025194900000000, -0.0004217800000000, 0.0000409400000000 ] - [ -0.0005098600000000, 0.0007353000000000, -0.0002577300000000 ] - [ -0.0006732600000000, -0.0003142400000000, -0.0000822900000000 ] - [ -0.0006831100000000, 0.0002825500000000, -0.0000686100000000 ] - [ -0.0080279200000000, -0.0022572800000000, 0.0086753700000000 ] - [ 0.0000402200000000, 0.0001493800000000, -0.0002248100000000 ] - [ 0.0001187500000000, -0.0002374300000000, 0.0001510600000000 ] - [ -0.0010041500000000, -0.0002496800000000, 0.0008969100000000 ] - [ 0.0005733600000000, 0.0020601800000000, -0.0003835200000000 ] - [ -0.0007576700000000, 0.0007685600000000, 0.0003216900000000 ] - [ 0.0000244800000000, 0.0004887700000000, -0.0000931800000000 ] - [ 0.0002260600000000, 0.0002907300000000, -0.0000773600000000 ] - [ -0.0002224800000000, 0.0001841500000000, -0.0000844800000000 ] - [ 0.0000205000000000, 0.0002818800000000, -0.0000723100000000 ] - [ 0.0005611500000000, -0.0006250400000000, -0.0000886900000000 ] - [ -0.0003464200000000, 0.0004188700000000, 0.0000692400000000 ] - [ -0.0015409500000000, 0.0004610700000000, 0.0000342900000000 ] - [ -0.0007298700000000, 0.0002473800000000, 0.0001000100000000 ] - [ 0.0004305400000000, 0.0000377000000000, -0.0001859600000000 ] - [ -0.0003849300000000, -0.0001549900000000, -0.0000311900000000 ] - [ -0.0004490300000000, 0.0000572200000000, -0.0000244100000000 ] - [ -0.0011863800000000, -0.0013355600000000, 0.0001894300000000 ] - [ -0.0009275600000000, -0.0002794000000000, 0.0001829100000000 ] - [ -0.0009177700000000, 0.0014226100000000, 0.0002321300000000 ] - [ -0.0003171300000000, 0.0002597000000000, 0.0008321800000000 ] - [ -0.0002700200000000, -0.0000876900000000, -0.0002242300000000 ] - [ 0.0011172500000000, -0.0012449100000000, -0.0004576300000000 ] - [ -0.0003824300000000, 0.0009518800000000, 0.0001849800000000 ] - [ -0.0008648100000000, 0.0003849100000000, 0.0001097300000000 ]- atom: 73 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0005353700000000, 0.0000826500000000, 0.0000964500000000 ] - [ 0.0014180400000000, -0.0006754200000000, -0.0002185500000000 ] - [ -0.0004345900000000, -0.0001075900000000, 0.0001987100000000 ] - [ -0.0003709000000000, 0.0006112300000000, 0.0002509700000000 ] - [ 0.0000953200000000, -0.0018555600000000, 0.0001628500000000 ] - [ -0.0003813900000000, 0.0006016000000000, -0.0001911400000000 ] - [ -0.0001862300000000, 0.0004479900000000, 0.0000375300000000 ] - [ -0.0003584900000000, 0.0000102300000000, 0.0001167000000000 ] - [ -0.0000513300000000, -0.0001083500000000, 0.0000609900000000 ] - [ 0.0021119600000000, -0.0025560100000000, 0.0004808400000000 ] - [ 0.0002521600000000, 0.0001548700000000, 0.0000286300000000 ] - [ -0.0000825900000000, -0.0001355700000000, 0.0000184400000000 ] - [ 0.0028565700000000, -0.0006191800000000, 0.0001456600000000 ] - [ 0.0004636600000000, 0.0003020800000000, 0.0000744800000000 ] - [ 0.0001515000000000, 0.0003231300000000, 0.0002311600000000 ] - [ 0.0000254600000000, 0.0000929900000000, 0.0002264300000000 ] - [ -0.0002953900000000, 0.0002957400000000, 0.0001126300000000 ] - [ 0.0005237600000000, 0.0003570300000000, 0.0001271100000000 ] - [ 0.0001726600000000, 0.0005005400000000, 0.0000413500000000 ] - [ -0.0002415300000000, 0.0003655700000000, 0.0001104400000000 ] - [ -0.0002299100000000, -0.0002405300000000, 0.0000228200000000 ] - [ -0.0002276000000000, 0.0004558100000000, 0.0000430000000000 ] - [ -0.0019270300000000, 0.0021339000000000, 0.0001142700000000 ] - [ -0.0007138600000000, 0.0010210600000000, 0.0000228000000000 ] - [ -0.0008278900000000, -0.0004927600000000, -0.0002266300000000 ] - [ -0.0000338200000000, 0.0006318100000000, -0.0000594400000000 ] - [ 0.0169042600000000, -0.0216667700000000, -0.0275541700000000 ] - [ 0.0009362600000000, 0.0004483500000000, -0.0002614400000000 ] - [ 0.0059472900000000, 0.0036567100000000, 0.0001732000000000 ] - [ -0.0011449000000000, 0.0033051800000000, 0.0021012000000000 ] - [ 0.0005542400000000, 0.0014951600000000, -0.0004006400000000 ] - [ 0.0005022100000000, 0.0003760900000000, 0.0003870900000000 ] - [ -0.0011137900000000, 0.0006803700000000, 0.0005010800000000 ] - [ -0.0015035000000000, -0.0009130800000000, -0.0001009100000000 ] - [ -0.0000398800000000, -0.0002803800000000, -0.0003840200000000 ] - [ -0.0009286600000000, 0.0009779000000000, -0.0000330100000000 ] - [ -0.0022608400000000, 0.0005161300000000, 0.0001304100000000 ] - [ 0.0004490900000000, 0.0004214700000000, -0.0001187600000000 ] - [ -0.0003612800000000, -0.0001329400000000, 0.0004083600000000 ] - [ -0.0006880200000000, 0.0009268800000000, -0.0001316800000000 ] - [ 0.0004605700000000, 0.0010044900000000, -0.0000165900000000 ] - [ -0.0007123700000000, 0.0011949300000000, 0.0000459500000000 ] - [ -0.0002784500000000, 0.0011122600000000, 0.0003996200000000 ] - [ -0.0022027200000000, 0.0004275300000000, -0.0006741400000000 ] - [ -0.0004407800000000, -0.0001616600000000, -0.0000429800000000 ] - [ -0.0004754200000000, 0.0016959400000000, -0.0003391400000000 ] - [ 0.0013246000000000, -0.0014549200000000, -0.0002598300000000 ] - [ -0.0000165600000000, 0.0000323100000000, -0.0001835100000000 ] - [ -0.0024621200000000, -0.0004436300000000, -0.0001226200000000 ] - [ 0.0008080700000000, 0.0008492900000000, 0.0003357600000000 ] - [ -0.0008317300000000, 0.0014955700000000, -0.0005535900000000 ] - [ 0.0007869100000000, 0.0003064800000000, 0.0002540300000000 ] - [ 0.0017511400000000, -0.0001097300000000, 0.0001683700000000 ] - [ 0.0000501200000000, -0.0021975500000000, 0.0006149500000000 ] - [ 0.0010581100000000, -0.0002038800000000, 0.0009650900000000 ] - [ -0.0002154400000000, 0.0002535600000000, -0.0006584800000000 ] - [ -0.0006129900000000, 0.0004433200000000, -0.0005895800000000 ] - [ -0.0016691800000000, 0.0036492400000000, -0.0015885100000000 ] - [ -0.0045957600000000, -0.0031954000000000, 0.0016709800000000 ] - [ -0.0010294300000000, -0.0011020200000000, 0.0003426000000000 ] - [ 0.0000743500000000, 0.0005904400000000, -0.0005902100000000 ] - [ -0.0007598800000000, 0.0006840800000000, -0.0006031200000000 ] - [ 0.0027877500000000, 0.0013610100000000, 0.0026727000000000 ] - [ -0.0006498100000000, 0.0016552900000000, -0.0006121600000000 ] - [ -0.0007405900000000, -0.0003321500000000, -0.0006034200000000 ] - [ 0.0307603900000000, -0.0380166100000000, 0.0427089300000000 ] - [ -0.0010017900000000, -0.0013102900000000, -0.0008129800000000 ] - [ -0.0007909700000000, 0.0019362900000000, 0.0003319600000000 ] - [ -0.0010091600000000, 0.0011802100000000, -0.0006487700000000 ] - [ 0.0006494000000000, 0.0004065900000000, -0.0006837400000000 ] - [ -0.0015288600000000, 0.0011290600000000, 0.0003429900000000 ] - [ 0.0015186000000000, 0.0029660700000000, 0.0002704500000000 ] - [ -0.0490745700000000, 0.0516888100000000, -0.0196396800000000 ] - [ 0.0001295000000000, -0.0000082400000000, 0.0001122300000000 ] - [ 0.0004046500000000, -0.0004843300000000, 0.0002119100000000 ] - [ -0.0008341900000000, -0.0000835600000000, 0.0000445300000000 ] - [ -0.0006770800000000, 0.0006736400000000, -0.0001102400000000 ] - [ 0.0010184100000000, 0.0001270000000000, -0.0001830900000000 ] - [ -0.0001444200000000, 0.0012390600000000, -0.0001710000000000 ] - [ -0.0000033800000000, 0.0003256600000000, -0.0001321400000000 ] - [ 0.0001076000000000, -0.0003622100000000, -0.0000274900000000 ] - [ -0.0003541500000000, 0.0008127100000000, 0.0000275100000000 ] - [ 0.0005903500000000, -0.0007067800000000, 0.0001074500000000 ] - [ -0.0004933300000000, -0.0000637800000000, -0.0002769900000000 ] - [ 0.0007108500000000, -0.0016309600000000, 0.0002541500000000 ] - [ 0.0003633400000000, 0.0007197200000000, 0.0001152600000000 ] - [ 0.0010696800000000, -0.0003019300000000, 0.0000892100000000 ] - [ -0.0033228200000000, -0.0035016200000000, -0.0016442300000000 ] - [ 0.0000868600000000, -0.0000959300000000, -0.0000512400000000 ] - [ -0.0003587800000000, 0.0013840000000000, -0.0004107400000000 ] - [ -0.0012129200000000, -0.0025560100000000, -0.0006267100000000 ] - [ -0.0002290200000000, -0.0004997400000000, 0.0000671800000000 ] - [ -0.0037608800000000, -0.0058437600000000, 0.0160997800000000 ] - [ -0.0011686600000000, -0.0003301700000000, 0.0003060100000000 ] - [ 0.0001445400000000, -0.0007899200000000, 0.0006337300000000 ] - [ 0.0007717100000000, 0.0021449300000000, 0.0001466400000000 ] - [ 0.0002138500000000, -0.0007424300000000, 0.0000379200000000 ] - [ 0.0020082100000000, -0.0008358200000000, 0.0012427100000000 ] - [ -0.0008809000000000, -0.0005062100000000, -0.0003890400000000 ] - [ 0.0001662600000000, -0.0015175500000000, -0.0000868200000000 ] - [ -0.0003271600000000, 0.0001937100000000, -0.0000663000000000 ] - [ 0.0011398000000000, -0.0003322700000000, 0.0001900100000000 ] - [ -0.0005264600000000, -0.0012444200000000, 0.0002124900000000 ] - [ -0.0007904200000000, -0.0001228100000000, 0.0001457100000000 ] - [ 0.0007451700000000, 0.0004509500000000, 0.0002471200000000 ] - [ -0.0001228300000000, -0.0006296500000000, 0.0002008900000000 ] - [ 0.0004012900000000, 0.0010556400000000, -0.0004326700000000 ] - [ 0.0001824900000000, -0.0001744700000000, -0.0000065300000000 ] - [ -0.0003133900000000, -0.0012031800000000, 0.0000906100000000 ] - [ 0.0001908400000000, 0.0000861700000000, -0.0000987800000000 ] - [ 0.0004787700000000, -0.0007404300000000, -0.0001427100000000 ] - [ 0.0011190500000000, -0.0007302800000000, 0.0001586300000000 ] - [ 0.0019968100000000, -0.0012405300000000, -0.0007519100000000 ] - [ 0.0001525100000000, -0.0006353600000000, 0.0000601800000000 ] - [ 0.0009879800000000, 0.0008246500000000, -0.0004884700000000 ] - [ -0.0004740800000000, -0.0010681200000000, -0.0003094500000000 ] - [ 0.0002245600000000, -0.0004233800000000, 0.0001070200000000 ] - [ -0.0025704800000000, -0.0005589300000000, 0.0086980800000000 ] - [ -0.0000471800000000, 0.0005978200000000, 0.0000188500000000 ] - [ 0.0003973800000000, 0.0003938600000000, 0.0008052800000000 ] - [ -0.0009794800000000, -0.0005886200000000, -0.0004623700000000 ] - [ -0.0005315100000000, 0.0000110400000000, -0.0000568300000000 ] - [ -0.0010572600000000, 0.0027302700000000, -0.0166621700000000 ] - [ 0.0010656100000000, -0.0002025900000000, -0.0004505400000000 ] - [ 0.0002515200000000, -0.0005556100000000, 0.0008497200000000 ] - [ -0.0027843300000000, 0.0011408700000000, -0.0039260900000000 ] - [ -0.0004055400000000, -0.0015493500000000, 0.0002735800000000 ] - [ -0.0001843800000000, -0.0022687700000000, 0.0000338500000000 ] - [ -0.0022361700000000, 0.0002940200000000, -0.0004261800000000 ] - [ 0.0016081100000000, -0.0001890500000000, 0.0003321700000000 ] - [ 0.0001193300000000, -0.0003659700000000, -0.0002125200000000 ] - [ 0.0005825300000000, -0.0004094600000000, -0.0002074200000000 ] - [ 0.0003478400000000, -0.0000007400000000, 0.0007912100000000 ] - [ 0.0032105800000000, 0.0072901600000000, 0.0082852800000000 ] - [ -0.0002339100000000, -0.0008132500000000, -0.0001598900000000 ] - [ -0.0001611500000000, -0.0003356000000000, -0.0000345700000000 ] - [ 0.0001605500000000, 0.0000542400000000, -0.0001869500000000 ] - [ 0.0006766900000000, -0.0009985500000000, 0.0001904500000000 ] - [ -0.0003319000000000, -0.0000738700000000, 0.0008310600000000 ] - [ -0.0027386500000000, 0.0009193900000000, 0.0000475100000000 ] - [ 0.0002310500000000, -0.0004721400000000, -0.0001747700000000 ] - [ 0.0008039500000000, 0.0003103300000000, 0.0000977100000000 ] - [ 0.0003432300000000, -0.0002668500000000, -0.0000541500000000 ] - [ 0.0077341100000000, 0.0023400500000000, -0.0090061700000000 ] - [ -0.0001305200000000, -0.0005186800000000, -0.0002058500000000 ] - [ 0.0005486000000000, -0.0002030600000000, 0.0001078000000000 ] - [ 0.0010513500000000, 0.0009335900000000, -0.0007382100000000 ] - [ -0.0003582600000000, -0.0018067300000000, 0.0001032800000000 ] - [ 0.0002140700000000, -0.0007192100000000, -0.0002377900000000 ] - [ 0.0003145500000000, -0.0005033600000000, -0.0000288600000000 ] - [ -0.0007600000000000, -0.0004690900000000, -0.0000571500000000 ] - [ 0.0001592300000000, -0.0006753200000000, -0.0002516300000000 ] - [ 0.0005443600000000, 0.0002049200000000, 0.0000223900000000 ] - [ -0.0004654700000000, 0.0003307600000000, -0.0001948300000000 ] - [ 0.0002719300000000, -0.0002933600000000, -0.0000526500000000 ] - [ 0.0016529300000000, 0.0000944700000000, -0.0001764200000000 ] - [ 0.0005963200000000, -0.0002444300000000, -0.0000839400000000 ] - [ -0.0000450000000000, -0.0003346000000000, -0.0001447000000000 ] - [ -0.0000434000000000, 0.0005319600000000, -0.0001019700000000 ] - [ 0.0011596900000000, -0.0003065500000000, -0.0000283200000000 ] - [ 0.0009661700000000, 0.0010787000000000, -0.0004602800000000 ] - [ 0.0008947800000000, -0.0005235500000000, 0.0000767600000000 ] - [ 0.0003002200000000, -0.0004434900000000, -0.0002105700000000 ] - [ 0.0002072000000000, -0.0001324100000000, 0.0007921000000000 ] - [ 0.0001872700000000, -0.0015669800000000, -0.0004891100000000 ] - [ 0.0002785600000000, 0.0003457500000000, -0.0002542200000000 ] - [ 0.0004139500000000, -0.0001478200000000, 0.0000753800000000 ] - [ 0.0000036400000000, -0.0006395000000000, 0.0001557600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000710600000000, 0.0000485000000000, 0.0002658600000000 ] - [ -0.0000356300000000, -0.0006697900000000, -0.0027933000000000 ] - [ 0.0000558000000000, 0.0000974000000000, 0.0006679200000000 ] - [ -0.0000602400000000, -0.0000679600000000, -0.0001043300000000 ] - [ 0.0006770600000000, 0.0006295900000000, -0.0036146000000000 ] - [ -0.0000994400000000, 0.0003916100000000, -0.0027024400000000 ] - [ 0.0000013200000000, 0.0000206500000000, -0.0000454900000000 ] - [ 0.0000063600000000, 0.0000013000000000, 0.0000246600000000 ] - [ -0.0000389100000000, -0.0000023200000000, 0.0001516300000000 ] - [ -0.0005663900000000, -0.0000785000000000, 0.0038166800000000 ] - [ 0.0001492000000000, 0.0000712500000000, 0.0001209300000000 ] - [ -0.0000338400000000, 0.0000001400000000, -0.0000762800000000 ] - [ 0.0008592300000000, 0.0004298200000000, 0.0039485100000000 ] - [ 0.0000442200000000, -0.0000515400000000, -0.0004829100000000 ] - [ -0.0000974200000000, 0.0000020100000000, 0.0003256500000000 ] - [ -0.0000467200000000, 0.0000509500000000, 0.0001262200000000 ] - [ -0.0000240700000000, -0.0000129600000000, 0.0002294000000000 ] - [ 0.0000184700000000, -0.0001153000000000, 0.0004078900000000 ] - [ -0.0000208100000000, 0.0001594500000000, -0.0001105200000000 ] - [ -0.0000226300000000, 0.0000482100000000, 0.0000328500000000 ] - [ 0.0001064200000000, -0.0000223200000000, -0.0003294700000000 ] - [ -0.0000029600000000, 0.0000236300000000, 0.0001271700000000 ] - [ 0.0001804500000000, -0.0007029000000000, 0.0024438100000000 ] - [ -0.0002676500000000, 0.0001844100000000, 0.0006052500000000 ] - [ -0.0003200800000000, -0.0005481500000000, -0.0003846500000000 ] - [ -0.0001707400000000, 0.0001888500000000, 0.0000537400000000 ] - [ -0.0259461300000000, 0.0149907100000000, 0.1324882100000000 ] - [ 0.0006820200000000, 0.0003894800000000, -0.0004859700000000 ] - [ 0.0075865200000000, 0.0087493500000000, 0.0076471300000000 ] - [ 0.0040967100000000, -0.0158104600000000, -0.0026734600000000 ] - [ 0.0002075700000000, 0.0012992600000000, 0.0005833400000000 ] - [ 0.0000544500000000, -0.0000582200000000, 0.0002729700000000 ] - [ 0.0004797800000000, -0.0010707000000000, -0.0004487700000000 ] - [ -0.0001868100000000, 0.0003711600000000, -0.0004884400000000 ] - [ 0.0011758600000000, 0.0014755900000000, 0.0009742400000000 ] - [ -0.0001393000000000, -0.0002697800000000, -0.0001810800000000 ] - [ -0.0019522600000000, 0.0005527400000000, -0.0009604900000000 ] - [ -0.0009019200000000, 0.0001774300000000, -0.0004393700000000 ] - [ -0.0002947900000000, -0.0000106800000000, 0.0005591600000000 ] - [ -0.0000817300000000, 0.0001853600000000, -0.0003087600000000 ] - [ 0.0002382300000000, 0.0004061300000000, -0.0001369300000000 ] - [ -0.0002425600000000, -0.0016863700000000, 0.0004035100000000 ] - [ 0.0000758700000000, -0.0002512800000000, 0.0006231200000000 ] - [ -0.0078829400000000, 0.0037161700000000, -0.0054704300000000 ] - [ 0.0000859900000000, 0.0000543600000000, 0.0000707700000000 ] - [ 0.0000584100000000, 0.0006923200000000, -0.0001342900000000 ] - [ -0.0017910300000000, -0.0000754600000000, 0.0004941400000000 ] - [ 0.0004895600000000, -0.0003952900000000, -0.0001594000000000 ] - [ 0.0023696100000000, -0.0003333300000000, -0.0015863700000000 ] - [ 0.0007684100000000, 0.0001934200000000, 0.0004418600000000 ] - [ -0.0001773200000000, 0.0003663500000000, -0.0004851700000000 ] - [ 0.0005666100000000, -0.0009090900000000, 0.0002069700000000 ] - [ 0.0008922500000000, 0.0000230500000000, -0.0002458400000000 ] - [ -0.0011763100000000, -0.0019656900000000, 0.0015232600000000 ] - [ 0.0012442000000000, 0.0008433000000000, 0.0020508300000000 ] - [ 0.0003444200000000, -0.0000669600000000, -0.0005323400000000 ] - [ -0.0000021500000000, 0.0005689900000000, -0.0003721200000000 ] - [ -0.0093850000000000, 0.0121366500000000, -0.0058474000000000 ] - [ 0.0078910400000000, 0.0020529700000000, -0.0076498700000000 ] - [ -0.0002980000000000, -0.0007598900000000, 0.0004682700000000 ] - [ -0.0005221200000000, 0.0000358300000000, -0.0007176100000000 ] - [ -0.0005446500000000, -0.0000956200000000, -0.0003612500000000 ] - [ -0.0030997000000000, -0.0125267700000000, 0.0048713100000000 ] - [ -0.0007955000000000, 0.0012065900000000, 0.0006273700000000 ] - [ 0.0002404300000000, -0.0003309200000000, -0.0008307000000000 ] - [ 0.0487486700000000, -0.0241015800000000, 0.2315690900000000 ] - [ -0.0009092000000000, 0.0000328100000000, -0.0010386000000000 ] - [ -0.0000028300000000, 0.0011305700000000, 0.0000272500000000 ] - [ -0.0008118900000000, 0.0015305800000000, -0.0015007700000000 ] - [ 0.0000406700000000, -0.0000113800000000, -0.0008983200000000 ] - [ -0.0007479200000000, -0.0004034000000000, -0.0002850400000000 ] - [ -0.0003261200000000, -0.0021185500000000, 0.0011288600000000 ] - [ -0.0286665100000000, 0.0099610900000000, -0.4717541200000000 ] - [ 0.0003488600000000, 0.0001801000000000, 0.0001586200000000 ] - [ 0.0004606800000000, 0.0000364500000000, 0.0001141000000000 ] - [ -0.0002971000000000, 0.0003977600000000, 0.0000685000000000 ] - [ 0.0002693900000000, 0.0005903600000000, -0.0002244600000000 ] - [ -0.0000250600000000, 0.0001307300000000, 0.0013489100000000 ] - [ 0.0005601500000000, 0.0000597200000000, 0.0001792300000000 ] - [ -0.0002957900000000, 0.0000148400000000, -0.0000392000000000 ] - [ -0.0003669800000000, 0.0001564500000000, -0.0000538900000000 ] - [ -0.0002448500000000, 0.0003143700000000, -0.0010724900000000 ] - [ 0.0003017600000000, -0.0004920300000000, 0.0000173400000000 ] - [ -0.0007265200000000, 0.0005337800000000, -0.0003840300000000 ] - [ 0.0012641000000000, 0.0001974200000000, 0.0076334700000000 ] - [ -0.0003840800000000, 0.0003546500000000, -0.0000363000000000 ] - [ 0.0005191800000000, 0.0000526500000000, 0.0000093500000000 ] - [ 0.0001963300000000, 0.0021785500000000, -0.0066781300000000 ] - [ -0.0000600500000000, -0.0001532400000000, -0.0002679400000000 ] - [ 0.0001797100000000, 0.0003590200000000, -0.0014612400000000 ] - [ 0.0008962900000000, 0.0041037600000000, -0.0007860600000000 ] - [ 0.0001113100000000, -0.0001768800000000, 0.0000574700000000 ] - [ 0.0005063400000000, -0.0205295800000000, 0.0156572800000000 ] - [ -0.0005414200000000, -0.0004948800000000, 0.0001726500000000 ] - [ 0.0000188900000000, 0.0001015100000000, -0.0002723300000000 ] - [ -0.0021473600000000, -0.0017464000000000, 0.0008125300000000 ] - [ 0.0001130300000000, -0.0003589300000000, -0.0004275700000000 ] - [ 0.0039280800000000, -0.0020351400000000, 0.0011582800000000 ] - [ -0.0007527100000000, -0.0003910600000000, -0.0003282100000000 ] - [ -0.0002615300000000, 0.0005093600000000, -0.0001149400000000 ] - [ -0.0000248300000000, 0.0004720200000000, 0.0000142200000000 ] - [ -0.0004630900000000, 0.0006333200000000, 0.0002194800000000 ] - [ 0.0000378900000000, -0.0002033700000000, -0.0010728200000000 ] - [ -0.0003657800000000, -0.0001161500000000, 0.0005566200000000 ] - [ 0.0003213500000000, -0.0001227900000000, 0.0001659500000000 ] - [ 0.0002597400000000, -0.0003294100000000, 0.0001397000000000 ] - [ 0.0001079400000000, 0.0008203300000000, -0.0003525100000000 ] - [ -0.0000419100000000, -0.0002726800000000, 0.0000090700000000 ] - [ -0.0004174600000000, -0.0007490700000000, 0.0000382800000000 ] - [ -0.0002451600000000, -0.0001017100000000, -0.0001235100000000 ] - [ 0.0002319700000000, 0.0001377600000000, -0.0002174300000000 ] - [ 0.0007123200000000, -0.0003322000000000, 0.0001958500000000 ] - [ -0.0027659800000000, 0.0013907700000000, -0.0001409000000000 ] - [ 0.0003094400000000, 0.0000629900000000, 0.0000145800000000 ] - [ -0.0008882000000000, -0.0000336000000000, -0.0001306300000000 ] - [ -0.0012685000000000, 0.0033111800000000, -0.0001175400000000 ] - [ -0.0001012000000000, -0.0004573700000000, 0.0001116100000000 ] - [ 0.0023677700000000, -0.0155126300000000, 0.0203855500000000 ] - [ 0.0006963800000000, 0.0007040800000000, 0.0000188400000000 ] - [ 0.0001058600000000, -0.0000913600000000, 0.0012183100000000 ] - [ 0.0005926000000000, 0.0004794000000000, -0.0000197200000000 ] - [ -0.0005000200000000, -0.0004473400000000, -0.0002299600000000 ] - [ -0.0091137800000000, 0.0156051000000000, 0.0332301800000000 ] - [ 0.0004427500000000, 0.0006601400000000, -0.0003264400000000 ] - [ -0.0000107900000000, -0.0000931000000000, 0.0006644800000000 ] - [ 0.0059673800000000, 0.0148959100000000, 0.0128482700000000 ] - [ -0.0002363800000000, -0.0010141600000000, 0.0000082600000000 ] - [ -0.0003535800000000, -0.0032173000000000, -0.0009028200000000 ] - [ 0.0021176600000000, 0.0022123900000000, -0.0002961700000000 ] - [ 0.0026076800000000, -0.0017475800000000, 0.0002967900000000 ] - [ 0.0001630400000000, -0.0001325500000000, -0.0003191700000000 ] - [ 0.0002030500000000, 0.0000350300000000, 0.0000427100000000 ] - [ 0.0000633200000000, 0.0000644900000000, 0.0009848200000000 ] - [ 0.0235397300000000, 0.0001347600000000, 0.0144741000000000 ] - [ 0.0001189200000000, 0.0005853900000000, 0.0000993900000000 ] - [ 0.0000710000000000, -0.0001220100000000, 0.0001001400000000 ] - [ -0.0001509400000000, -0.0000690700000000, -0.0003461700000000 ] - [ -0.0000066100000000, 0.0000032000000000, 0.0001032200000000 ] - [ -0.0000584900000000, 0.0000171800000000, 0.0010495500000000 ] - [ -0.0032696500000000, -0.0009680500000000, -0.0007886700000000 ] - [ -0.0000497600000000, -0.0000079100000000, 0.0002409400000000 ] - [ -0.0000075800000000, -0.0000064600000000, -0.0000280000000000 ] - [ 0.0000028700000000, -0.0000279800000000, 0.0009463400000000 ] - [ -0.0173881700000000, 0.0034967400000000, 0.0102217600000000 ] - [ -0.0000594800000000, -0.0001473100000000, -0.0000357100000000 ] - [ 0.0003091100000000, -0.0002435700000000, 0.0001080700000000 ] - [ 0.0001937600000000, -0.0003363700000000, 0.0076316300000000 ] - [ 0.0005796000000000, -0.0032232400000000, -0.0003307400000000 ] - [ -0.0003747600000000, 0.0004979700000000, 0.0002311500000000 ] - [ 0.0001849000000000, -0.0000277400000000, -0.0003076800000000 ] - [ -0.0004025300000000, -0.0002418400000000, -0.0000320800000000 ] - [ -0.0000388600000000, -0.0002866000000000, -0.0001914500000000 ] - [ 0.0003520100000000, 0.0002737300000000, -0.0000388700000000 ] - [ -0.0001941000000000, -0.0003760400000000, -0.0002496400000000 ] - [ 0.0000464800000000, 0.0000026100000000, -0.0000228100000000 ] - [ -0.0026070700000000, 0.0011645400000000, 0.0008733100000000 ] - [ 0.0000710800000000, -0.0000429800000000, 0.0000465400000000 ] - [ 0.0002744200000000, -0.0000914800000000, -0.0001318800000000 ] - [ 0.0002532900000000, 0.0005040400000000, -0.0002107900000000 ] - [ 0.0001038400000000, 0.0000683700000000, 0.0000472100000000 ] - [ 0.0024040900000000, 0.0008738200000000, 0.0002254200000000 ] - [ 0.0005967700000000, -0.0005910800000000, 0.0001909200000000 ] - [ -0.0002281000000000, 0.0003329400000000, 0.0000148900000000 ] - [ -0.0000418700000000, 0.0000638100000000, 0.0007102600000000 ] - [ -0.0000027300000000, -0.0009402600000000, -0.0003630700000000 ] - [ 0.0001923700000000, -0.0003733500000000, -0.0004473300000000 ] - [ 0.0000846300000000, 0.0003137900000000, 0.0001129400000000 ] - [ -0.0002529300000000, -0.0005802700000000, 0.0001992500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000238200000000, -0.0000144500000000, -0.0000394200000000 ] - [ 0.0000225100000000, 0.0006638900000000, 0.0029187100000000 ] - [ 0.0000566600000000, 0.0000503200000000, -0.0002097100000000 ] - [ -0.0000507400000000, -0.0000828200000000, 0.0005630800000000 ] - [ -0.0009538900000000, -0.0008281800000000, 0.0036494000000000 ] - [ 0.0002786800000000, -0.0004097100000000, 0.0031628000000000 ] - [ -0.0000007400000000, -0.0000196700000000, 0.0001524300000000 ] - [ 0.0000406800000000, -0.0000338400000000, 0.0002020400000000 ] - [ 0.0000377300000000, 0.0000010600000000, -0.0000449800000000 ] - [ 0.0006766700000000, -0.0000942800000000, -0.0033602800000000 ] - [ 0.0001438700000000, 0.0001348300000000, -0.0000875700000000 ] - [ 0.0000348800000000, 0.0000010400000000, 0.0001292700000000 ] - [ -0.0008488600000000, -0.0004170500000000, -0.0038334200000000 ] - [ -0.0000941600000000, 0.0000302400000000, 0.0007097800000000 ] - [ -0.0000881900000000, 0.0000199900000000, 0.0001336400000000 ] - [ -0.0000263600000000, 0.0001182200000000, 0.0003332600000000 ] - [ 0.0000188500000000, -0.0000433000000000, -0.0000037000000000 ] - [ 0.0000318600000000, 0.0001366800000000, -0.0001820100000000 ] - [ -0.0000126000000000, 0.0001979200000000, 0.0001446300000000 ] - [ 0.0000275100000000, 0.0000073900000000, 0.0001929000000000 ] - [ 0.0002200300000000, -0.0001302600000000, 0.0003645300000000 ] - [ 0.0000022000000000, -0.0000248500000000, -0.0000744200000000 ] - [ -0.0001388700000000, 0.0003330600000000, -0.0024107000000000 ] - [ -0.0000598000000000, -0.0000304100000000, -0.0005712400000000 ] - [ 0.0001837800000000, -0.0007313200000000, -0.0001162000000000 ] - [ -0.0000964700000000, 0.0001675900000000, -0.0001002600000000 ] - [ 0.0296506200000000, -0.0175381600000000, -0.1419036700000000 ] - [ 0.0004868000000000, 0.0001416100000000, -0.0000123100000000 ] - [ -0.0075931900000000, -0.0087195100000000, -0.0067942300000000 ] - [ -0.0043913200000000, 0.0140860100000000, 0.0026190300000000 ] - [ -0.0018135800000000, -0.0018721100000000, -0.0006933400000000 ] - [ -0.0000374900000000, 0.0000130600000000, 0.0005289900000000 ] - [ -0.0005296200000000, 0.0010817900000000, 0.0012515200000000 ] - [ -0.0008629700000000, 0.0003861400000000, -0.0000068700000000 ] - [ -0.0008661000000000, 0.0001872200000000, -0.0010868600000000 ] - [ -0.0002918400000000, 0.0002063800000000, 0.0001397800000000 ] - [ 0.0019833400000000, -0.0005098200000000, 0.0017559900000000 ] - [ -0.0004014100000000, 0.0009208400000000, 0.0003329800000000 ] - [ 0.0002748500000000, -0.0000307000000000, 0.0002397800000000 ] - [ 0.0003476600000000, -0.0005422100000000, 0.0002636300000000 ] - [ -0.0000601100000000, 0.0000104100000000, 0.0001002600000000 ] - [ -0.0009262800000000, 0.0011557000000000, -0.0009065400000000 ] - [ -0.0000271200000000, 0.0002388900000000, 0.0001799900000000 ] - [ 0.0095001100000000, -0.0031527500000000, 0.0053708400000000 ] - [ 0.0003468900000000, 0.0000087300000000, -0.0001132000000000 ] - [ 0.0000782900000000, 0.0005860300000000, -0.0003670300000000 ] - [ 0.0016155100000000, -0.0003427400000000, -0.0005406600000000 ] - [ 0.0005604800000000, -0.0003608900000000, -0.0003395000000000 ] - [ -0.0020915600000000, -0.0006964000000000, 0.0004588800000000 ] - [ 0.0008952700000000, 0.0001836800000000, 0.0002316700000000 ] - [ -0.0000408300000000, 0.0002627700000000, -0.0007895700000000 ] - [ 0.0006047100000000, -0.0003336300000000, 0.0004620600000000 ] - [ -0.0002344500000000, -0.0005803300000000, 0.0006030300000000 ] - [ 0.0010176200000000, 0.0011371000000000, -0.0011696500000000 ] - [ -0.0024180300000000, 0.0003967800000000, -0.0013731800000000 ] - [ 0.0003732600000000, -0.0000504600000000, -0.0007340600000000 ] - [ -0.0002680900000000, 0.0004650700000000, -0.0007645500000000 ] - [ 0.0095891600000000, -0.0113568900000000, 0.0061661900000000 ] - [ -0.0086614800000000, -0.0023361100000000, 0.0079958100000000 ] - [ -0.0002022800000000, -0.0008679100000000, 0.0002026500000000 ] - [ -0.0005333900000000, 0.0002440800000000, -0.0004203500000000 ] - [ -0.0001990400000000, -0.0006766600000000, -0.0007760100000000 ] - [ 0.0041676500000000, 0.0122911100000000, -0.0060870800000000 ] - [ 0.0003794400000000, -0.0017764400000000, -0.0018947200000000 ] - [ -0.0000221900000000, -0.0002992300000000, -0.0004443000000000 ] - [ -0.0451868200000000, 0.0225433200000000, -0.2165345600000000 ] - [ 0.0001938800000000, 0.0000840200000000, -0.0002300300000000 ] - [ 0.0005050800000000, 0.0004961300000000, 0.0006434700000000 ] - [ 0.0015557600000000, -0.0007620100000000, 0.0003655600000000 ] - [ 0.0003758100000000, 0.0005817500000000, -0.0003728800000000 ] - [ -0.0009170600000000, 0.0000251900000000, 0.0009571900000000 ] - [ 0.0011020200000000, 0.0024115900000000, -0.0007783000000000 ] - [ 0.0224275200000000, -0.0061312100000000, 0.4662498500000000 ] - [ 0.0003788100000000, 0.0001726100000000, 0.0001037500000000 ] - [ 0.0004026000000000, 0.0002223200000000, 0.0001505600000000 ] - [ -0.0004869800000000, 0.0000620000000000, 0.0000102100000000 ] - [ -0.0001014800000000, -0.0007461200000000, 0.0001768300000000 ] - [ 0.0002035900000000, 0.0001519900000000, -0.0014729100000000 ] - [ -0.0005013100000000, 0.0004311600000000, -0.0005118200000000 ] - [ -0.0007988900000000, -0.0000526300000000, 0.0000377600000000 ] - [ -0.0003439600000000, 0.0000954300000000, 0.0000008800000000 ] - [ -0.0003235100000000, 0.0000717400000000, 0.0012483400000000 ] - [ 0.0003152200000000, -0.0004866800000000, 0.0000028500000000 ] - [ -0.0006714800000000, 0.0003629900000000, -0.0003305200000000 ] - [ -0.0007145500000000, -0.0005484500000000, -0.0074550400000000 ] - [ 0.0003741700000000, 0.0005564900000000, 0.0001152800000000 ] - [ 0.0005734500000000, -0.0000142700000000, -0.0000118200000000 ] - [ -0.0003396800000000, -0.0018233400000000, 0.0065887800000000 ] - [ -0.0001246600000000, -0.0001288800000000, 0.0001477200000000 ] - [ -0.0000852100000000, 0.0000167700000000, 0.0010309100000000 ] - [ -0.0008394200000000, -0.0038819100000000, 0.0007239300000000 ] - [ 0.0001091500000000, -0.0003189900000000, 0.0000293800000000 ] - [ 0.0000840700000000, 0.0204924600000000, -0.0156790400000000 ] - [ 0.0007663500000000, 0.0005584700000000, -0.0002133200000000 ] - [ 0.0001346900000000, -0.0000712600000000, 0.0018898600000000 ] - [ 0.0020978400000000, 0.0015266000000000, -0.0008503500000000 ] - [ -0.0004991800000000, 0.0006549400000000, 0.0000950200000000 ] - [ -0.0035226500000000, 0.0016600900000000, -0.0012770900000000 ] - [ -0.0007181100000000, -0.0003667900000000, -0.0003843000000000 ] - [ 0.0001493300000000, -0.0010627000000000, -0.0000263200000000 ] - [ -0.0000917500000000, 0.0002449800000000, -0.0000569100000000 ] - [ 0.0006744100000000, 0.0002396200000000, 0.0000463200000000 ] - [ -0.0000860100000000, -0.0004800500000000, 0.0012479800000000 ] - [ -0.0002483500000000, -0.0001788100000000, -0.0003782000000000 ] - [ -0.0008878900000000, -0.0003659400000000, -0.0002123400000000 ] - [ 0.0003931300000000, -0.0002879000000000, 0.0001230800000000 ] - [ -0.0000268300000000, 0.0008347700000000, -0.0003625600000000 ] - [ -0.0002689500000000, -0.0001768600000000, 0.0000746800000000 ] - [ -0.0003803800000000, 0.0003044200000000, 0.0000449400000000 ] - [ -0.0002106800000000, -0.0000922600000000, -0.0002128000000000 ] - [ 0.0002234300000000, 0.0000568900000000, -0.0001194500000000 ] - [ -0.0004047800000000, 0.0007839600000000, -0.0001117200000000 ] - [ 0.0027668200000000, -0.0022978200000000, 0.0002032700000000 ] - [ 0.0002361500000000, -0.0001125500000000, 0.0000711800000000 ] - [ 0.0002217300000000, 0.0004692500000000, 0.0003800900000000 ] - [ 0.0005425700000000, -0.0036777300000000, 0.0003922300000000 ] - [ -0.0001121000000000, -0.0004143300000000, 0.0001550900000000 ] - [ -0.0025050800000000, 0.0158430100000000, -0.0206484300000000 ] - [ -0.0001617200000000, 0.0002762500000000, -0.0000172800000000 ] - [ 0.0000029900000000, -0.0000358300000000, 0.0004048200000000 ] - [ -0.0002482700000000, -0.0005431500000000, -0.0002479800000000 ] - [ 0.0004328500000000, 0.0003370600000000, 0.0002433300000000 ] - [ 0.0088736800000000, -0.0150806000000000, -0.0329520200000000 ] - [ 0.0010276900000000, 0.0000974000000000, -0.0003851600000000 ] - [ -0.0000442400000000, -0.0000567700000000, 0.0009502700000000 ] - [ -0.0052243000000000, -0.0155077400000000, -0.0128892100000000 ] - [ -0.0002984500000000, 0.0000329400000000, -0.0000077800000000 ] - [ 0.0004679200000000, 0.0024955300000000, 0.0008543600000000 ] - [ -0.0027805300000000, -0.0016064500000000, 0.0005706300000000 ] - [ -0.0018100400000000, 0.0021950000000000, -0.0002163200000000 ] - [ 0.0001156100000000, -0.0001303300000000, -0.0001130100000000 ] - [ 0.0001601000000000, 0.0000745700000000, -0.0004714000000000 ] - [ -0.0000086900000000, 0.0000858100000000, 0.0006294800000000 ] - [ -0.0236114000000000, -0.0001876200000000, -0.0145122600000000 ] - [ -0.0000517400000000, -0.0004753100000000, -0.0000838100000000 ] - [ 0.0000857800000000, -0.0001798500000000, -0.0002208400000000 ] - [ -0.0002134500000000, -0.0000395600000000, -0.0000819000000000 ] - [ 0.0000802500000000, -0.0001274500000000, -0.0000874700000000 ] - [ -0.0000965800000000, -0.0000451300000000, 0.0005677100000000 ] - [ 0.0030462200000000, 0.0014645200000000, 0.0008641900000000 ] - [ -0.0002282400000000, 0.0002700800000000, -0.0006734500000000 ] - [ 0.0001402700000000, 0.0000029900000000, 0.0000427700000000 ] - [ -0.0003417100000000, 0.0000427800000000, -0.0010690200000000 ] - [ 0.0171039500000000, -0.0034678000000000, -0.0104618600000000 ] - [ -0.0000311500000000, -0.0002216800000000, -0.0003954800000000 ] - [ 0.0003582700000000, -0.0001966700000000, 0.0001505600000000 ] - [ -0.0001442600000000, 0.0010183400000000, -0.0074567100000000 ] - [ -0.0003689200000000, 0.0034895100000000, 0.0000776500000000 ] - [ -0.0001699300000000, -0.0004479100000000, -0.0001446100000000 ] - [ 0.0001539600000000, 0.0000134300000000, 0.0001858100000000 ] - [ -0.0001308700000000, 0.0000649200000000, -0.0001026500000000 ] - [ -0.0000244400000000, -0.0002043100000000, -0.0001452500000000 ] - [ 0.0002130400000000, 0.0002134500000000, -0.0000119100000000 ] - [ 0.0002892400000000, 0.0000816300000000, -0.0000324900000000 ] - [ -0.0001204300000000, 0.0001229400000000, 0.0000388400000000 ] - [ 0.0027236600000000, -0.0006109000000000, -0.0010139400000000 ] - [ -0.0002051200000000, 0.0000460300000000, -0.0000308100000000 ] - [ 0.0001115400000000, -0.0002047100000000, -0.0001992900000000 ] - [ -0.0006803300000000, -0.0001253100000000, 0.0000760200000000 ] - [ 0.0006071800000000, -0.0003176700000000, -0.0001005200000000 ] - [ -0.0026133200000000, -0.0011248700000000, -0.0004975200000000 ] - [ -0.0006280900000000, -0.0002121600000000, 0.0000682500000000 ] - [ -0.0003896800000000, 0.0006464500000000, 0.0000057300000000 ] - [ -0.0000681800000000, 0.0000635200000000, 0.0009136400000000 ] - [ -0.0000802300000000, -0.0007141600000000, -0.0003507200000000 ] - [ 0.0012039800000000, -0.0005250300000000, -0.0002682500000000 ] - [ -0.0000533100000000, 0.0004912500000000, 0.0001478900000000 ] - [ -0.0006087500000000, 0.0003245700000000, 0.0000646800000000 ]- atom: 74 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0002258000000000, 0.0003925700000000, 0.0001372800000000 ] - [ 0.0002739900000000, -0.0001038200000000, 0.0000826400000000 ] - [ -0.0001627700000000, 0.0004641300000000, 0.0002031800000000 ] - [ -0.0004741600000000, -0.0003887100000000, 0.0002773100000000 ] - [ 0.0000073500000000, -0.0002482300000000, 0.0000200500000000 ] - [ -0.0001747000000000, -0.0002736400000000, 0.0001837900000000 ] - [ -0.0008928200000000, -0.0000027300000000, -0.0001175600000000 ] - [ -0.0001945200000000, 0.0003999100000000, 0.0000718900000000 ] - [ 0.0004546600000000, 0.0012334400000000, -0.0005614500000000 ] - [ 0.0001445500000000, -0.0001945000000000, 0.0002278000000000 ] - [ 0.0004144600000000, 0.0015172400000000, 0.0009889200000000 ] - [ 0.0003384800000000, 0.0011426400000000, 0.0007335900000000 ] - [ 0.0002956400000000, -0.0001962500000000, 0.0000597700000000 ] - [ 0.0000733400000000, -0.0016943400000000, -0.0011137100000000 ] - [ 0.0047276400000000, 0.0004249300000000, 0.0027928700000000 ] - [ -0.0000183500000000, 0.0011754900000000, -0.0001316300000000 ] - [ -0.0008598000000000, 0.0000359700000000, -0.0000584200000000 ] - [ 0.0002718300000000, -0.0023652500000000, 0.0029565700000000 ] - [ -0.0006218600000000, -0.0018404300000000, 0.0027743200000000 ] - [ -0.0008727800000000, 0.0000540100000000, 0.0003437900000000 ] - [ -0.0000196400000000, 0.0003543400000000, 0.0000156300000000 ] - [ -0.0008756100000000, 0.0000027300000000, 0.0002012500000000 ] - [ -0.0002890000000000, -0.0003997800000000, 0.0000511100000000 ] - [ -0.0005207000000000, -0.0001610500000000, -0.0000093200000000 ] - [ -0.0017410900000000, 0.0018047200000000, 0.0004039200000000 ] - [ -0.0009165600000000, 0.0009520500000000, -0.0023593900000000 ] - [ 0.0005771900000000, -0.0010325800000000, -0.0000267500000000 ] - [ 0.0276878800000000, -0.0220543100000000, -0.0082503700000000 ] - [ 0.0004476700000000, -0.0015011700000000, 0.0004628100000000 ] - [ -0.0003828400000000, -0.0014744200000000, 0.0000474900000000 ] - [ -0.0003526400000000, -0.0019021800000000, -0.0006584200000000 ] - [ 0.0027831000000000, -0.0012239000000000, -0.0045917500000000 ] - [ -0.0010683800000000, 0.0001928000000000, 0.0004385000000000 ] - [ -0.0002389200000000, 0.0008729100000000, -0.0002785600000000 ] - [ 0.0003971700000000, 0.0013669500000000, 0.0000203300000000 ] - [ -0.0016028400000000, 0.0000822500000000, 0.0000426900000000 ] - [ -0.0001443800000000, 0.0002118900000000, 0.0003951800000000 ] - [ 0.0043084500000000, 0.0019348000000000, -0.0009349100000000 ] - [ -0.0000844900000000, 0.0013930100000000, 0.0004556600000000 ] - [ -0.0015114400000000, -0.0002992600000000, -0.0001903500000000 ] - [ -0.0096382900000000, 0.0030852500000000, -0.0033037500000000 ] - [ -0.0018571300000000, -0.0012639100000000, 0.0002496700000000 ] - [ -0.0028918700000000, -0.0023390200000000, -0.0001290300000000 ] - [ 0.0007790100000000, 0.0006411100000000, -0.0000249700000000 ] - [ 0.0001768400000000, 0.0012034700000000, -0.0000562800000000 ] - [ -0.0013681600000000, 0.0005526800000000, -0.0003266400000000 ] - [ 0.0014299700000000, -0.0000162000000000, 0.0002114900000000 ] - [ -0.0002936900000000, 0.0007589000000000, 0.0000932400000000 ] - [ -0.0002756200000000, -0.0002408300000000, -0.0005769500000000 ] - [ -0.0088175800000000, 0.0000974800000000, -0.0038802500000000 ] - [ -0.0022291600000000, 0.0000567400000000, -0.0006975500000000 ] - [ -0.0004786900000000, -0.0011071600000000, -0.0017787800000000 ] - [ 0.0022256100000000, -0.0002189800000000, -0.0005838800000000 ] - [ 0.0002305100000000, 0.0005481600000000, 0.0002886000000000 ] - [ 0.0002715600000000, 0.0001123500000000, 0.0000589500000000 ] - [ -0.0021081200000000, 0.0023257500000000, -0.0006083600000000 ] - [ -0.0003009000000000, 0.0018653500000000, -0.0004641900000000 ] - [ 0.0000843900000000, -0.0003062500000000, 0.0001062700000000 ] - [ -0.0006338800000000, 0.0001860700000000, 0.0001700300000000 ] - [ -0.0004249100000000, 0.0010671500000000, 0.0000744100000000 ] - [ 0.1209519200000000, -0.0882965300000000, 0.0447952800000000 ] - [ -0.0018051900000000, -0.0012809100000000, -0.0012272800000000 ] - [ 0.0009370400000000, -0.0010851300000000, -0.0003376300000000 ] - [ -0.0021429100000000, -0.0031411500000000, 0.0001056000000000 ] - [ -0.0010264000000000, 0.0010095200000000, -0.0002699300000000 ] - [ -0.0002426700000000, -0.0003720200000000, 0.0001555600000000 ] - [ 0.0001269600000000, 0.0005479700000000, -0.0006255000000000 ] - [ -0.0008521900000000, 0.0007989300000000, 0.0002470000000000 ] - [ -0.0009162300000000, 0.0004262200000000, -0.0005011900000000 ] - [ 0.0036084500000000, -0.0008895600000000, 0.0013525100000000 ] - [ -0.0023731800000000, -0.0004271700000000, 0.0003498400000000 ] - [ 0.0005150900000000, -0.0016270700000000, 0.0005011800000000 ] - [ 0.0002865500000000, 0.0004061300000000, 0.0000746900000000 ] - [ -0.1693473600000000, 0.1495226800000000, -0.0547586000000000 ] - [ 0.0012830600000000, 0.0006107200000000, 0.0004680100000000 ] - [ -0.0072802500000000, -0.0077010900000000, 0.0012962100000000 ] - [ -0.0006444300000000, -0.0009365700000000, -0.0000817700000000 ] - [ 0.0002044700000000, 0.0000467200000000, -0.0000484600000000 ] - [ -0.0003638100000000, 0.0001440400000000, -0.0002438700000000 ] - [ -0.0007704300000000, -0.0005497900000000, 0.0000909500000000 ] - [ 0.0016294200000000, 0.0005157700000000, 0.0000903900000000 ] - [ -0.0003938400000000, -0.0001464500000000, -0.0000531300000000 ] - [ 0.0009745500000000, -0.0015565500000000, 0.0005743500000000 ] - [ 0.0002474000000000, -0.0002032700000000, 0.0002021700000000 ] - [ 0.0003141000000000, 0.0001076000000000, 0.0000464300000000 ] - [ -0.0000602700000000, 0.0000090600000000, 0.0000224000000000 ] - [ 0.0021381800000000, -0.0003698500000000, 0.0002897700000000 ] - [ -0.0002133500000000, 0.0007261900000000, -0.0002385000000000 ] - [ -0.0000158700000000, -0.0007649000000000, -0.0001546800000000 ] - [ -0.0004603900000000, 0.0003695600000000, -0.0004421100000000 ] - [ 0.0001689100000000, 0.0010367800000000, -0.0002229800000000 ] - [ -0.0000364500000000, -0.0002729100000000, 0.0006448000000000 ] - [ 0.0003541300000000, 0.0007402300000000, -0.0000761600000000 ] - [ -0.0011759600000000, 0.0003282300000000, 0.0003715700000000 ] - [ 0.0009766300000000, 0.0008101500000000, 0.0002261600000000 ] - [ -0.0001733000000000, -0.0003809700000000, -0.0000841700000000 ] - [ 0.0013376100000000, 0.0008406400000000, -0.0000531100000000 ] - [ 0.0003358300000000, -0.0000424700000000, -0.0000741100000000 ] - [ 0.0090656500000000, -0.0122661500000000, -0.0008799700000000 ] - [ 0.0001381500000000, 0.0010093500000000, -0.0000963900000000 ] - [ -0.0026810500000000, 0.0023952000000000, 0.0001481900000000 ] - [ 0.0005713600000000, 0.0001166100000000, 0.0001343800000000 ] - [ 0.0001120600000000, 0.0008689800000000, 0.0001474100000000 ] - [ -0.0015603800000000, -0.0007429400000000, 0.0009921500000000 ] - [ -0.0003548500000000, -0.0005490300000000, -0.0001020400000000 ] - [ 0.0319838500000000, -0.0146593900000000, 0.0050418200000000 ] - [ 0.0001582200000000, -0.0008166900000000, -0.0001083100000000 ] - [ 0.0002332600000000, -0.0013982900000000, 0.0000211200000000 ] - [ -0.0000578900000000, 0.0006988600000000, -0.0000462600000000 ] - [ -0.0001404700000000, -0.0010709700000000, -0.0003522700000000 ] - [ 0.0010991500000000, 0.0005314200000000, -0.0002768000000000 ] - [ 0.0005923100000000, 0.0000465900000000, 0.0001271600000000 ] - [ 0.0002834800000000, -0.0003185100000000, 0.0000043600000000 ] - [ 0.0042462300000000, 0.0014404200000000, 0.0003569300000000 ] - [ -0.0003961700000000, 0.0000270700000000, 0.0001680700000000 ] - [ -0.0003614700000000, 0.0006100300000000, 0.0000625600000000 ] - [ 0.0002118300000000, -0.0013838800000000, 0.0001104900000000 ] - [ -0.0002448000000000, 0.0004856900000000, -0.0000765800000000 ] - [ -0.0008852800000000, 0.0000882600000000, -0.0004366000000000 ] - [ -0.0000844100000000, -0.0003874000000000, 0.0008123500000000 ] - [ -0.0015177000000000, 0.0015818900000000, -0.0003088700000000 ] - [ -0.0046480700000000, 0.0033565400000000, -0.0001364500000000 ] - [ -0.0001675800000000, 0.0005872200000000, -0.0000599900000000 ] - [ 0.0019317800000000, 0.0006567900000000, -0.0006780000000000 ] - [ 0.0007834900000000, 0.0000254300000000, 0.0008703300000000 ] - [ 0.0004114800000000, 0.0002849200000000, -0.0000533800000000 ] - [ 0.0029502700000000, 0.0013606600000000, -0.0002584300000000 ] - [ 0.0002848500000000, 0.0011819000000000, -0.0000593200000000 ] - [ -0.0011293600000000, 0.0007989400000000, 0.0001467100000000 ] - [ 0.0008770600000000, -0.0000610600000000, 0.0001058300000000 ] - [ 0.0020226000000000, -0.0007342200000000, 0.0029117300000000 ] - [ 0.0007578500000000, 0.0000363400000000, -0.0001744900000000 ] - [ 0.0007075700000000, -0.0006190300000000, 0.0002176400000000 ] - [ -0.0001287300000000, 0.0000509300000000, -0.0000184700000000 ] - [ 0.0006605500000000, 0.0008884400000000, 0.0004352900000000 ] - [ -0.0033022600000000, -0.0058371900000000, 0.0131257300000000 ] - [ -0.0000570300000000, -0.0007179500000000, -0.0001073300000000 ] - [ 0.0009733400000000, -0.0002699300000000, 0.0000800700000000 ] - [ -0.0051339100000000, -0.0010206800000000, -0.0018571700000000 ] - [ -0.0010030900000000, 0.0004902700000000, -0.0000325000000000 ] - [ 0.0005205200000000, 0.0002818900000000, -0.0000918800000000 ] - [ -0.0000789000000000, -0.0005523900000000, 0.0000202900000000 ] - [ 0.0003391400000000, -0.0000622800000000, -0.0001218900000000 ] - [ -0.0000661700000000, 0.0001049400000000, -0.0001634400000000 ] - [ 0.0016021800000000, -0.0009599500000000, 0.0028031300000000 ] - [ 0.0003982500000000, -0.0011374800000000, 0.0002085900000000 ] - [ 0.0001181900000000, 0.0002655000000000, 0.0000961600000000 ] - [ 0.0002476100000000, 0.0008110700000000, 0.0000780500000000 ] - [ 0.0003881100000000, 0.0003170200000000, 0.0000706600000000 ] - [ 0.0011017800000000, 0.0006435600000000, 0.0005997000000000 ] - [ -0.0025787400000000, -0.0002233700000000, 0.0015926500000000 ] - [ 0.0033686800000000, -0.0037453100000000, -0.0009194600000000 ] - [ 0.0004913000000000, -0.0011116500000000, 0.0001015800000000 ] - [ -0.0005253700000000, -0.0003743600000000, -0.0002202900000000 ] - [ 0.0032735400000000, -0.0016852400000000, 0.0002243300000000 ] - [ 0.0004098300000000, -0.0000406100000000, -0.0000690700000000 ] - [ 0.0008007800000000, -0.0002014000000000, -0.0001715200000000 ] - [ -0.0014542100000000, -0.0005215600000000, -0.0002577200000000 ] - [ -0.0003901300000000, -0.0005509100000000, -0.0001894900000000 ] - [ 0.0012922300000000, -0.0004428300000000, -0.0001031200000000 ] - [ -0.0002209900000000, -0.0006489800000000, -0.0000000300000000 ] - [ 0.0011474800000000, -0.0009185400000000, 0.0000794600000000 ] - [ 0.0008111800000000, 0.0002646800000000, -0.0001828000000000 ] - [ 0.0006785900000000, -0.0006684400000000, 0.0003107400000000 ] - [ 0.0007010600000000, -0.0006208600000000, -0.0002777400000000 ] - [ -0.0001961500000000, -0.0003249400000000, -0.0000216100000000 ] - [ 0.0012563500000000, 0.0006391700000000, 0.0003073800000000 ] - [ 0.0004289100000000, 0.0000847200000000, 0.0000571800000000 ]- atom: 74 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0001778600000000, -0.0003573900000000, 0.0000899800000000 ] - [ -0.0002754600000000, 0.0001031000000000, 0.0000415100000000 ] - [ 0.0002745900000000, -0.0003166900000000, 0.0002557200000000 ] - [ 0.0003621500000000, 0.0002418400000000, 0.0001813200000000 ] - [ -0.0002987700000000, 0.0000454200000000, 0.0000145500000000 ] - [ 0.0003606100000000, 0.0002502900000000, 0.0002760100000000 ] - [ 0.0008910100000000, 0.0000037800000000, 0.0002232400000000 ] - [ 0.0002404500000000, -0.0004307400000000, 0.0001548600000000 ] - [ -0.0004618400000000, -0.0012353500000000, 0.0006701200000000 ] - [ -0.0000701800000000, 0.0000285800000000, 0.0002318900000000 ] - [ -0.0001142300000000, -0.0013060600000000, -0.0009521400000000 ] - [ -0.0003449000000000, -0.0011396500000000, -0.0006814900000000 ] - [ -0.0002959200000000, 0.0001971700000000, 0.0000640000000000 ] - [ -0.0001135300000000, 0.0016629500000000, 0.0013345600000000 ] - [ -0.0049820800000000, -0.0004874800000000, -0.0024685600000000 ] - [ -0.0000495600000000, -0.0010062800000000, 0.0005910900000000 ] - [ 0.0008547400000000, -0.0000931500000000, 0.0002855100000000 ] - [ -0.0001856100000000, 0.0023808000000000, -0.0027335500000000 ] - [ 0.0005792900000000, 0.0022001400000000, -0.0027481800000000 ] - [ 0.0008782900000000, 0.0000008200000000, -0.0001186500000000 ] - [ 0.0003457700000000, -0.0005075300000000, 0.0000198100000000 ] - [ 0.0008722900000000, -0.0000040500000000, -0.0001461600000000 ] - [ 0.0003220100000000, 0.0000405400000000, -0.0000163500000000 ] - [ 0.0001940500000000, 0.0003149500000000, 0.0000450700000000 ] - [ 0.0016056100000000, -0.0030891200000000, -0.0009060600000000 ] - [ 0.0006406200000000, -0.0005981500000000, 0.0023230600000000 ] - [ 0.0007265500000000, -0.0000628800000000, -0.0000820600000000 ] - [ -0.0262394700000000, 0.0224321100000000, 0.0076541400000000 ] - [ -0.0004512300000000, 0.0015394200000000, 0.0003393500000000 ] - [ 0.0000760700000000, -0.0001855100000000, -0.0001557900000000 ] - [ -0.0012497400000000, 0.0013370700000000, 0.0005563700000000 ] - [ -0.0027677900000000, 0.0011679100000000, 0.0054339900000000 ] - [ 0.0010185200000000, -0.0001828700000000, 0.0003654000000000 ] - [ -0.0008144400000000, -0.0001057000000000, -0.0002191100000000 ] - [ -0.0000889500000000, 0.0002942700000000, -0.0001288900000000 ] - [ 0.0011671800000000, -0.0001416700000000, -0.0000848200000000 ] - [ 0.0001655700000000, -0.0001658700000000, 0.0004045900000000 ] - [ -0.0056445200000000, -0.0008579700000000, 0.0008376200000000 ] - [ 0.0000673000000000, -0.0014309100000000, 0.0003441500000000 ] - [ 0.0017753600000000, -0.0000600700000000, 0.0001436100000000 ] - [ 0.0097756800000000, -0.0026541300000000, 0.0032407000000000 ] - [ 0.0006886000000000, 0.0007274300000000, -0.0007443300000000 ] - [ 0.0029498600000000, 0.0023356000000000, 0.0009367100000000 ] - [ 0.0008217900000000, -0.0000725500000000, -0.0000783400000000 ] - [ 0.0002522700000000, -0.0011394000000000, 0.0000146600000000 ] - [ 0.0015046100000000, 0.0007263700000000, -0.0001731800000000 ] - [ -0.0016001600000000, -0.0003923900000000, -0.0002529800000000 ] - [ 0.0013432200000000, -0.0015121000000000, -0.0005885500000000 ] - [ 0.0005464400000000, -0.0007867400000000, -0.0005586400000000 ] - [ 0.0104976300000000, 0.0002519700000000, 0.0045621500000000 ] - [ 0.0020119400000000, 0.0005739600000000, -0.0005754500000000 ] - [ 0.0016648500000000, -0.0001395800000000, 0.0024339000000000 ] - [ -0.0015699400000000, -0.0003437100000000, 0.0009492500000000 ] - [ -0.0003869400000000, -0.0013814500000000, 0.0000610700000000 ] - [ -0.0014323800000000, 0.0011788200000000, 0.0006084900000000 ] - [ 0.0028146000000000, -0.0024302600000000, -0.0006565800000000 ] - [ 0.0000307100000000, -0.0008289000000000, -0.0006709200000000 ] - [ 0.0000768800000000, 0.0011372900000000, 0.0002444200000000 ] - [ -0.0001435400000000, -0.0004759800000000, 0.0001786200000000 ] - [ -0.0000791400000000, -0.0026953700000000, 0.0005979100000000 ] - [ -0.1190514700000000, 0.0837887800000000, -0.0435447500000000 ] - [ 0.0010622700000000, 0.0005089300000000, 0.0000937500000000 ] - [ 0.0001276700000000, 0.0008039000000000, -0.0008003800000000 ] - [ 0.0017231700000000, 0.0025487400000000, -0.0013693200000000 ] - [ 0.0012419400000000, -0.0016411800000000, -0.0010057800000000 ] - [ -0.0004170600000000, 0.0009316000000000, 0.0002048100000000 ] - [ -0.0008484400000000, -0.0004235700000000, -0.0006392300000000 ] - [ 0.0013503500000000, 0.0008321100000000, 0.0004237700000000 ] - [ 0.0016596900000000, 0.0003409200000000, -0.0006349900000000 ] - [ -0.0032226900000000, 0.0014407300000000, -0.0025718900000000 ] - [ 0.0007085400000000, 0.0000469300000000, 0.0003234600000000 ] - [ 0.0002598800000000, 0.0019226300000000, -0.0001527500000000 ] - [ 0.0003278800000000, -0.0001110100000000, 0.0001044600000000 ] - [ 0.1665567700000000, -0.1438626800000000, 0.0528389700000000 ] - [ -0.0004181000000000, -0.0003508700000000, -0.0002036100000000 ] - [ 0.0064256900000000, 0.0081944700000000, -0.0012169700000000 ] - [ 0.0008158200000000, 0.0007886800000000, 0.0000400600000000 ] - [ -0.0000205200000000, 0.0002331400000000, -0.0000716100000000 ] - [ 0.0004274600000000, 0.0003408200000000, -0.0000909200000000 ] - [ -0.0003201600000000, 0.0005100400000000, -0.0000932600000000 ] - [ -0.0023442800000000, -0.0002657800000000, -0.0001425900000000 ] - [ -0.0001722700000000, 0.0005335500000000, 0.0002309900000000 ] - [ -0.0003547200000000, 0.0005789100000000, -0.0005550500000000 ] - [ -0.0016465900000000, 0.0010997800000000, -0.0009143300000000 ] - [ 0.0002509700000000, -0.0004957100000000, 0.0001310100000000 ] - [ 0.0000492600000000, 0.0009014500000000, 0.0000565300000000 ] - [ -0.0010391600000000, 0.0004056600000000, -0.0002899400000000 ] - [ 0.0000518600000000, -0.0004225500000000, 0.0001186000000000 ] - [ -0.0001694700000000, 0.0004811000000000, 0.0000338500000000 ] - [ 0.0005472900000000, -0.0000138700000000, 0.0000222500000000 ] - [ -0.0001183700000000, -0.0008199400000000, 0.0001827400000000 ] - [ 0.0002401300000000, -0.0002202000000000, -0.0005658100000000 ] - [ 0.0001771800000000, -0.0005621500000000, -0.0000585000000000 ] - [ 0.0014019500000000, -0.0002660900000000, -0.0004167300000000 ] - [ -0.0008213500000000, -0.0007764400000000, 0.0013867200000000 ] - [ 0.0001221900000000, 0.0001602500000000, 0.0000436600000000 ] - [ -0.0017214800000000, -0.0005397200000000, -0.0002781500000000 ] - [ 0.0000896400000000, -0.0003381700000000, -0.0000589000000000 ] - [ -0.0105980600000000, 0.0116479500000000, 0.0001942200000000 ] - [ -0.0002509500000000, -0.0015683900000000, -0.0000437700000000 ] - [ 0.0025622200000000, -0.0016719400000000, -0.0001984100000000 ] - [ -0.0003564700000000, 0.0007527100000000, 0.0001332500000000 ] - [ -0.0001624300000000, -0.0015537600000000, 0.0000278000000000 ] - [ 0.0009490000000000, 0.0004518100000000, -0.0008188300000000 ] - [ -0.0002108900000000, 0.0000579100000000, 0.0000518900000000 ] - [ -0.0307087500000000, 0.0137641900000000, -0.0047289200000000 ] - [ -0.0000750800000000, 0.0024742200000000, -0.0006062600000000 ] - [ -0.0005433700000000, 0.0009470600000000, 0.0000629600000000 ] - [ -0.0007412800000000, -0.0011481100000000, 0.0001306000000000 ] - [ -0.0003138000000000, 0.0008776400000000, 0.0000168700000000 ] - [ -0.0006434900000000, -0.0003389900000000, -0.0000594000000000 ] - [ -0.0002810300000000, 0.0004004200000000, -0.0000430400000000 ] - [ -0.0002747500000000, -0.0005949300000000, 0.0000746500000000 ] - [ -0.0037210200000000, -0.0014854500000000, -0.0002727800000000 ] - [ -0.0002720800000000, 0.0004068100000000, 0.0000905900000000 ] - [ -0.0003700700000000, -0.0009574100000000, 0.0002000000000000 ] - [ -0.0004241200000000, 0.0005100900000000, 0.0001565000000000 ] - [ 0.0000759800000000, -0.0003330900000000, 0.0000352700000000 ] - [ 0.0014235600000000, 0.0008830700000000, 0.0004223000000000 ] - [ 0.0001958300000000, 0.0002566600000000, 0.0008109900000000 ] - [ 0.0018686600000000, -0.0016522700000000, 0.0000435200000000 ] - [ 0.0045520200000000, -0.0035591200000000, 0.0001626100000000 ] - [ 0.0000720000000000, -0.0002956100000000, -0.0002240800000000 ] - [ -0.0004617000000000, 0.0001023900000000, -0.0000345300000000 ] - [ -0.0008387900000000, -0.0001758800000000, 0.0007440100000000 ] - [ 0.0003711500000000, -0.0007457400000000, 0.0001329900000000 ] - [ -0.0034624500000000, -0.0023265000000000, 0.0002590900000000 ] - [ -0.0001723800000000, -0.0018872300000000, 0.0000174700000000 ] - [ 0.0004672100000000, -0.0001831700000000, 0.0001168400000000 ] - [ -0.0000802100000000, 0.0005106100000000, -0.0000225100000000 ] - [ -0.0017458000000000, 0.0004773100000000, -0.0033558500000000 ] - [ -0.0003930300000000, 0.0000711100000000, -0.0002525200000000 ] - [ -0.0006523300000000, 0.0007707200000000, 0.0013990400000000 ] - [ -0.0000952000000000, -0.0001137900000000, -0.0000243400000000 ] - [ -0.0005960600000000, -0.0007742200000000, -0.0004177100000000 ] - [ 0.0033523000000000, 0.0055380700000000, -0.0132693100000000 ] - [ -0.0003057000000000, 0.0006089300000000, -0.0003206200000000 ] - [ -0.0009000800000000, 0.0001458500000000, -0.0000638600000000 ] - [ 0.0050030200000000, 0.0009559900000000, 0.0033923200000000 ] - [ 0.0007650500000000, -0.0000032500000000, 0.0001179100000000 ] - [ -0.0007989100000000, -0.0000178200000000, -0.0003391000000000 ] - [ 0.0002148400000000, 0.0005468000000000, -0.0000039500000000 ] - [ -0.0006787700000000, 0.0000775900000000, -0.0000000200000000 ] - [ -0.0002789500000000, -0.0000414500000000, -0.0001021900000000 ] - [ -0.0016895000000000, 0.0005844100000000, -0.0032048500000000 ] - [ 0.0002678100000000, 0.0006951600000000, 0.0000498200000000 ] - [ -0.0000673300000000, 0.0004171200000000, 0.0000797900000000 ] - [ -0.0000361800000000, -0.0005611000000000, -0.0003494500000000 ] - [ -0.0009329800000000, -0.0002662800000000, 0.0000152100000000 ] - [ -0.0007644200000000, -0.0006595600000000, -0.0007254500000000 ] - [ 0.0020513200000000, 0.0000510800000000, -0.0017317300000000 ] - [ -0.0034091000000000, 0.0032262500000000, 0.0005771800000000 ] - [ 0.0000739300000000, 0.0015911800000000, -0.0001504200000000 ] - [ 0.0006192700000000, 0.0000834500000000, -0.0000650200000000 ] - [ -0.0033518300000000, 0.0018162800000000, -0.0002085400000000 ] - [ -0.0002976800000000, 0.0005960700000000, -0.0000711000000000 ] - [ -0.0009325200000000, 0.0002028800000000, 0.0001871200000000 ] - [ 0.0018612000000000, 0.0002331300000000, -0.0000806400000000 ] - [ -0.0000398400000000, 0.0009301700000000, 0.0000560500000000 ] - [ -0.0005796400000000, 0.0001940800000000, 0.0000502900000000 ] - [ 0.0000083900000000, 0.0003986800000000, -0.0002715900000000 ] - [ -0.0011787700000000, 0.0001163300000000, 0.0001804400000000 ] - [ -0.0014282400000000, 0.0007145200000000, 0.0002038600000000 ] - [ -0.0007856400000000, 0.0007917300000000, 0.0013091800000000 ] - [ -0.0007834200000000, -0.0010359500000000, -0.0004364000000000 ] - [ 0.0016001000000000, -0.0005910500000000, -0.0006949000000000 ] - [ -0.0012256100000000, 0.0001645900000000, -0.0000473400000000 ] - [ -0.0012902900000000, -0.0003390700000000, 0.0002080200000000 ]- atom: 74 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0003818100000000, -0.0007279500000000, 0.0001076400000000 ] - [ -0.0006836600000000, -0.0006855300000000, 0.0002155500000000 ] - [ 0.0005346600000000, -0.0006839600000000, 0.0002538400000000 ] - [ -0.0000836700000000, 0.0001313300000000, 0.0002403900000000 ] - [ -0.0007318400000000, -0.0006632100000000, -0.0001877900000000 ] - [ -0.0000220000000000, 0.0000648500000000, 0.0002413800000000 ] - [ 0.0008663900000000, 0.0001935000000000, 0.0001975600000000 ] - [ 0.0005129900000000, -0.0007756300000000, 0.0001419200000000 ] - [ 0.0007590000000000, -0.0017114800000000, 0.0011896100000000 ] - [ -0.0004871100000000, -0.0007646400000000, 0.0003688300000000 ] - [ 0.0015163700000000, -0.0014292100000000, -0.0019394900000000 ] - [ 0.0006472600000000, -0.0017327100000000, -0.0011254000000000 ] - [ -0.0006676700000000, -0.0005466600000000, -0.0001161000000000 ] - [ -0.0018459200000000, 0.0021914100000000, 0.0000350400000000 ] - [ -0.0019631200000000, 0.0044672800000000, 0.0008464600000000 ] - [ 0.0011298000000000, -0.0013341200000000, 0.0011549800000000 ] - [ 0.0009115200000000, 0.0001302600000000, 0.0003029100000000 ] - [ -0.0025155200000000, 0.0037946600000000, -0.0000375800000000 ] - [ -0.0011342200000000, 0.0033469800000000, -0.0006576000000000 ] - [ 0.0008561800000000, 0.0003024300000000, -0.0001121300000000 ] - [ 0.0006437500000000, -0.0009026500000000, 0.0000657600000000 ] - [ 0.0007843500000000, 0.0002406100000000, -0.0001193200000000 ] - [ 0.0000225800000000, -0.0001381700000000, 0.0000117600000000 ] - [ -0.0002084900000000, 0.0001467800000000, 0.0000173200000000 ] - [ 0.0025414900000000, -0.0032960200000000, -0.0009345300000000 ] - [ 0.0017301800000000, 0.0005858000000000, 0.0020870600000000 ] - [ -0.0001131200000000, -0.0011932400000000, -0.0000281800000000 ] - [ -0.0329470200000000, 0.1227906500000000, 0.0384956800000000 ] - [ -0.0031655200000000, 0.0011137400000000, 0.0006301400000000 ] - [ -0.0011100500000000, -0.0014913400000000, 0.0000693000000000 ] - [ -0.0027917200000000, 0.0007119100000000, -0.0001697800000000 ] - [ -0.0023652900000000, 0.0046472000000000, 0.0086640700000000 ] - [ 0.0011963800000000, -0.0005657900000000, 0.0003628800000000 ] - [ 0.0000479800000000, -0.0026024800000000, -0.0003487600000000 ] - [ 0.0003749000000000, -0.0011076600000000, -0.0004794200000000 ] - [ 0.0011819600000000, -0.0004692900000000, -0.0000875800000000 ] - [ -0.0003634600000000, -0.0009615900000000, 0.0003777800000000 ] - [ -0.0109340700000000, -0.0083772200000000, 0.0047966300000000 ] - [ 0.0014879100000000, -0.0022768200000000, 0.0002653100000000 ] - [ 0.0012599900000000, 0.0002230800000000, 0.0000252000000000 ] - [ 0.0093993400000000, -0.0013584500000000, 0.0022428400000000 ] - [ 0.0000953600000000, 0.0014818800000000, -0.0003028200000000 ] - [ 0.0018044800000000, 0.0032967500000000, 0.0008613300000000 ] - [ 0.0002529000000000, -0.0011263400000000, -0.0001085300000000 ] - [ 0.0011789800000000, -0.0019094100000000, 0.0000927400000000 ] - [ 0.0010097500000000, 0.0010066700000000, -0.0001970800000000 ] - [ -0.0021143800000000, -0.0012572000000000, 0.0013920800000000 ] - [ 0.0018950900000000, -0.0013666700000000, -0.0005811300000000 ] - [ -0.0001122900000000, -0.0021108300000000, -0.0006378000000000 ] - [ 0.0145474800000000, 0.0054895100000000, 0.0065961300000000 ] - [ 0.0013600100000000, 0.0007592800000000, -0.0005907300000000 ] - [ 0.0033122400000000, 0.0014314500000000, 0.0023933800000000 ] - [ -0.0020654000000000, -0.0011406800000000, 0.0025589400000000 ] - [ 0.0012032000000000, -0.0042721100000000, -0.0002242100000000 ] - [ -0.0038898900000000, -0.0090741800000000, 0.0012418500000000 ] - [ 0.0033518400000000, -0.0023251000000000, -0.0006653800000000 ] - [ 0.0010998100000000, -0.0015501200000000, -0.0007949400000000 ] - [ -0.0008195500000000, -0.0001298800000000, 0.0002282400000000 ] - [ -0.0005449100000000, -0.0016669900000000, 0.0002963500000000 ] - [ 0.0011874200000000, -0.0036280800000000, 0.0006192400000000 ] - [ -0.1315895600000000, 0.1542711300000000, -0.0594264400000000 ] - [ -0.0000230900000000, 0.0019969500000000, -0.0001371100000000 ] - [ -0.0015607500000000, 0.0001911400000000, -0.0002811900000000 ] - [ 0.0003696900000000, 0.0037060200000000, -0.0014146700000000 ] - [ 0.0019441000000000, -0.0018106400000000, -0.0011412800000000 ] - [ -0.0014107600000000, -0.0005735300000000, 0.0001772600000000 ] - [ -0.0001984300000000, -0.0018502500000000, -0.0009659100000000 ] - [ 0.0014342300000000, 0.0006643800000000, 0.0004574500000000 ] - [ 0.0019872100000000, 0.0000595500000000, -0.0006526700000000 ] - [ -0.0009937100000000, 0.0064849000000000, -0.0086712900000000 ] - [ 0.0002219100000000, 0.0001966700000000, 0.0003222900000000 ] - [ -0.0035673200000000, 0.0004558000000000, -0.0010255900000000 ] - [ 0.0007956900000000, 0.0004782000000000, 0.0001000600000000 ] - [ 0.2074445600000000, -0.3523127000000000, 0.0330800400000000 ] - [ -0.0007123000000000, -0.0014170100000000, -0.0002156400000000 ] - [ -0.0045502000000000, 0.0327972200000000, -0.0046565300000000 ] - [ 0.0007308400000000, 0.0043927600000000, 0.0004808100000000 ] - [ 0.0002292700000000, 0.0006977500000000, -0.0000110600000000 ] - [ 0.0000523000000000, 0.0014224600000000, -0.0004171600000000 ] - [ -0.0010054100000000, 0.0010274100000000, -0.0000152900000000 ] - [ -0.0017139400000000, -0.0005339500000000, -0.0001636800000000 ] - [ -0.0005208200000000, 0.0013819900000000, 0.0006989300000000 ] - [ -0.0009215200000000, 0.0003915800000000, -0.0005734700000000 ] - [ -0.0019962800000000, 0.0007424300000000, -0.0008803200000000 ] - [ 0.0007278600000000, 0.0000098200000000, 0.0000197900000000 ] - [ -0.0006781100000000, 0.0013308700000000, 0.0000828200000000 ] - [ -0.0012445800000000, 0.0003631400000000, -0.0003504500000000 ] - [ 0.0009839000000000, -0.0001518700000000, -0.0003397300000000 ] - [ -0.0007092200000000, 0.0008520500000000, 0.0001568000000000 ] - [ 0.0011197000000000, 0.0025309400000000, -0.0024762200000000 ] - [ 0.0012520600000000, 0.0007421600000000, 0.0000084400000000 ] - [ -0.0012732700000000, -0.0011205500000000, -0.0012322000000000 ] - [ 0.0011982600000000, 0.0004848100000000, -0.0000772200000000 ] - [ 0.0022732100000000, 0.0001686800000000, -0.0007424000000000 ] - [ -0.0001046400000000, -0.0011739000000000, 0.0012292500000000 ] - [ 0.0003737300000000, 0.0011884700000000, 0.0001838900000000 ] - [ -0.0009670500000000, -0.0007033000000000, -0.0001773000000000 ] - [ 0.0007971100000000, 0.0002698700000000, -0.0001949500000000 ] - [ -0.0187988900000000, 0.0112630000000000, -0.0001118600000000 ] - [ 0.0011740600000000, -0.0020578200000000, -0.0000463900000000 ] - [ 0.0029938200000000, -0.0055475100000000, 0.0000335300000000 ] - [ -0.0003991500000000, 0.0013009200000000, 0.0001246600000000 ] - [ 0.0011610200000000, -0.0007639400000000, 0.0005814200000000 ] - [ 0.0013161900000000, 0.0016237000000000, -0.0033768800000000 ] - [ -0.0000434500000000, 0.0009530700000000, 0.0001580300000000 ] - [ -0.0265619400000000, 0.0029720800000000, -0.0039823300000000 ] - [ -0.0007048300000000, 0.0028949700000000, -0.0007043300000000 ] - [ -0.0013769900000000, 0.0018516400000000, 0.0001456800000000 ] - [ 0.0003766800000000, -0.0016551300000000, 0.0000702000000000 ] - [ -0.0006915300000000, 0.0011124900000000, 0.0000265800000000 ] - [ -0.0004297400000000, -0.0002918700000000, -0.0000862800000000 ] - [ -0.0002115000000000, 0.0007550700000000, -0.0000047600000000 ] - [ 0.0005151900000000, -0.0000478300000000, 0.0000553500000000 ] - [ -0.0033344200000000, -0.0041876500000000, -0.0000436300000000 ] - [ 0.0000854500000000, 0.0018051700000000, 0.0001488300000000 ] - [ 0.0003117500000000, -0.0012639500000000, 0.0000697500000000 ] - [ -0.0010880100000000, 0.0012647300000000, 0.0002184300000000 ] - [ 0.0003754300000000, 0.0004237000000000, -0.0000861800000000 ] - [ 0.0009093800000000, 0.0008219800000000, 0.0013219900000000 ] - [ -0.0001480700000000, 0.0010630900000000, 0.0011380500000000 ] - [ 0.0052032600000000, 0.0003768400000000, 0.0001309800000000 ] - [ 0.0085834700000000, 0.0196418900000000, -0.0024618200000000 ] - [ 0.0004448800000000, 0.0006241500000000, -0.0001654800000000 ] - [ -0.0000523500000000, -0.0000877700000000, -0.0001765100000000 ] - [ -0.0005993800000000, -0.0003170300000000, 0.0007646400000000 ] - [ 0.0011274200000000, 0.0001373300000000, 0.0000583800000000 ] - [ -0.0033316500000000, -0.0031192900000000, 0.0005183000000000 ] - [ 0.0011768000000000, -0.0024139700000000, -0.0001058700000000 ] - [ 0.0016089700000000, 0.0001182700000000, -0.0000236200000000 ] - [ -0.0001103800000000, 0.0009967100000000, 0.0000203000000000 ] - [ -0.0023771600000000, -0.0013544300000000, -0.0039786900000000 ] - [ -0.0003314700000000, 0.0001711400000000, -0.0002492200000000 ] - [ -0.0010909500000000, 0.0007670100000000, 0.0015410000000000 ] - [ 0.0006472200000000, 0.0005793400000000, 0.0000690700000000 ] - [ -0.0007327200000000, -0.0020968800000000, -0.0005560400000000 ] - [ -0.0044744700000000, 0.0015574900000000, -0.0226962300000000 ] - [ -0.0008035200000000, 0.0009915400000000, -0.0003887800000000 ] - [ -0.0006100700000000, -0.0001298900000000, 0.0000036400000000 ] - [ 0.0024039600000000, 0.0027072400000000, 0.0151524700000000 ] - [ 0.0038741500000000, 0.0022385300000000, 0.0004957000000000 ] - [ -0.0005798200000000, -0.0001162200000000, -0.0002823700000000 ] - [ -0.0007451200000000, 0.0011814900000000, -0.0001834300000000 ] - [ -0.0007871600000000, 0.0002281100000000, 0.0000139600000000 ] - [ 0.0002650500000000, 0.0004218200000000, -0.0002368800000000 ] - [ -0.0022813000000000, -0.0000561300000000, -0.0027797100000000 ] - [ -0.0002709700000000, 0.0008643000000000, -0.0000479400000000 ] - [ 0.0001475800000000, 0.0009158600000000, 0.0000557200000000 ] - [ 0.0007784000000000, 0.0003211200000000, 0.0000075800000000 ] - [ -0.0007955600000000, -0.0001934500000000, -0.0000005600000000 ] - [ -0.0002465100000000, -0.0012032900000000, -0.0005560900000000 ] - [ 0.0014815500000000, -0.0003497300000000, -0.0014579900000000 ] - [ -0.0035716600000000, 0.0023353700000000, 0.0003960500000000 ] - [ -0.0004301100000000, 0.0016008200000000, -0.0001278100000000 ] - [ 0.0002176200000000, 0.0010932300000000, -0.0003428000000000 ] - [ -0.0046018300000000, 0.0012586200000000, -0.0005699600000000 ] - [ -0.0004161600000000, 0.0011110300000000, -0.0000963300000000 ] - [ -0.0011330300000000, 0.0002825600000000, 0.0002328800000000 ] - [ -0.0002817200000000, -0.0017395800000000, 0.0010279800000000 ] - [ -0.0012450800000000, 0.0019309900000000, 0.0001393200000000 ] - [ -0.0009692800000000, 0.0002352100000000, 0.0001307100000000 ] - [ 0.0000604400000000, 0.0017658100000000, -0.0005949300000000 ] - [ -0.0015987100000000, 0.0002856600000000, 0.0001365700000000 ] - [ -0.0010920500000000, 0.0004193100000000, 0.0001295300000000 ] - [ -0.0010186100000000, 0.0007750700000000, 0.0012860100000000 ] - [ -0.0006828200000000, -0.0010343800000000, -0.0004211200000000 ] - [ 0.0000457700000000, 0.0035493400000000, 0.0002938800000000 ] - [ -0.0006180500000000, -0.0001100800000000, 0.0000142600000000 ] - [ -0.0012174600000000, -0.0002970300000000, 0.0002314500000000 ]- atom: 74 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0004373300000000, 0.0007592500000000, 0.0001186000000000 ] - [ 0.0006845700000000, 0.0006841600000000, -0.0000950600000000 ] - [ -0.0004181000000000, 0.0008366400000000, 0.0002056000000000 ] - [ -0.0000333600000000, -0.0002840400000000, 0.0002172300000000 ] - [ 0.0004340500000000, 0.0004652400000000, 0.0002214400000000 ] - [ 0.0002136300000000, -0.0000867600000000, 0.0002174600000000 ] - [ -0.0008652200000000, -0.0001925000000000, -0.0000854700000000 ] - [ -0.0004600200000000, 0.0007428200000000, 0.0000837600000000 ] - [ -0.0007604900000000, 0.0017066700000000, -0.0010714800000000 ] - [ 0.0005617200000000, 0.0005906000000000, 0.0000910800000000 ] - [ -0.0012259600000000, 0.0016288800000000, 0.0019859600000000 ] - [ -0.0006501100000000, 0.0017332500000000, 0.0011781100000000 ] - [ 0.0006702900000000, 0.0005469000000000, 0.0002386100000000 ] - [ 0.0018017600000000, -0.0022156800000000, 0.0001913000000000 ] - [ 0.0017947100000000, -0.0044211400000000, -0.0003517500000000 ] - [ -0.0012075400000000, 0.0015055300000000, -0.0007019800000000 ] - [ -0.0009103100000000, -0.0001913600000000, -0.0000770400000000 ] - [ 0.0025878200000000, -0.0037576200000000, 0.0002545900000000 ] - [ 0.0010930200000000, -0.0029910600000000, 0.0007023200000000 ] - [ -0.0008550500000000, -0.0002378800000000, 0.0003360200000000 ] - [ -0.0003205800000000, 0.0007431700000000, -0.0000308900000000 ] - [ -0.0007848700000000, -0.0002417800000000, 0.0001774900000000 ] - [ 0.0000020200000000, -0.0002189900000000, 0.0000228900000000 ] - [ -0.0001143800000000, 0.0000140100000000, 0.0000187400000000 ] - [ -0.0026815500000000, 0.0020085900000000, 0.0004319400000000 ] - [ -0.0020102900000000, -0.0002309500000000, -0.0021242700000000 ] - [ 0.0014083900000000, 0.0000810800000000, -0.0000806200000000 ] - [ 0.0329687300000000, -0.1149585200000000, -0.0359701500000000 ] - [ 0.0031426900000000, -0.0010687700000000, 0.0001743800000000 ] - [ 0.0007833700000000, -0.0001737900000000, -0.0001783300000000 ] - [ 0.0011784600000000, -0.0012738900000000, 0.0000636400000000 ] - [ 0.0023893700000000, -0.0046918400000000, -0.0078235000000000 ] - [ -0.0012405800000000, 0.0005734800000000, 0.0004409200000000 ] - [ -0.0010957900000000, 0.0033691200000000, -0.0001502000000000 ] - [ -0.0000477600000000, 0.0027699900000000, 0.0003737800000000 ] - [ -0.0016085100000000, 0.0003962100000000, 0.0000440000000000 ] - [ 0.0003770800000000, 0.0010024900000000, 0.0004215700000000 ] - [ 0.0096995600000000, 0.0095105300000000, -0.0049404900000000 ] - [ -0.0015072700000000, 0.0022337600000000, 0.0005354600000000 ] - [ -0.0009861000000000, -0.0005683400000000, -0.0000732300000000 ] - [ -0.0092251200000000, 0.0017782700000000, -0.0022834300000000 ] - [ -0.0012681000000000, -0.0020023700000000, -0.0001961800000000 ] - [ -0.0017612400000000, -0.0032998000000000, -0.0000559600000000 ] - [ 0.0013600900000000, 0.0016833900000000, 0.0000039600000000 ] - [ -0.0007531400000000, 0.0019807500000000, -0.0001351000000000 ] - [ -0.0008626700000000, 0.0002762600000000, -0.0003035700000000 ] - [ 0.0019495200000000, 0.0008524100000000, -0.0014264800000000 ] - [ -0.0008496800000000, 0.0005938000000000, 0.0000840900000000 ] - [ 0.0003759400000000, 0.0010744400000000, -0.0004988500000000 ] - [ -0.0128380500000000, -0.0050804200000000, -0.0058933200000000 ] - [ -0.0015653800000000, -0.0001284700000000, -0.0006837400000000 ] - [ -0.0021416800000000, -0.0026762100000000, -0.0017267800000000 ] - [ 0.0027413300000000, 0.0005758600000000, -0.0022051400000000 ] - [ -0.0013490700000000, 0.0034548600000000, 0.0005793800000000 ] - [ 0.0027350400000000, 0.0103183900000000, -0.0005675000000000 ] - [ -0.0026440500000000, 0.0021933800000000, -0.0006004100000000 ] - [ -0.0013653100000000, 0.0025821100000000, -0.0003398800000000 ] - [ 0.0009603100000000, 0.0009564100000000, 0.0001235100000000 ] - [ -0.0002228500000000, 0.0013611300000000, 0.0000537200000000 ] - [ -0.0016931700000000, 0.0020085900000000, 0.0000542400000000 ] - [ 0.1393079900000000, -0.1626044300000000, 0.0635994600000000 ] - [ -0.0007300300000000, -0.0027557500000000, -0.0009987200000000 ] - [ 0.0026163600000000, -0.0004712400000000, -0.0008563200000000 ] - [ -0.0007902600000000, -0.0042675400000000, 0.0001488500000000 ] - [ -0.0017383000000000, 0.0011813300000000, -0.0001374600000000 ] - [ 0.0007407600000000, 0.0011161400000000, 0.0001853500000000 ] - [ -0.0005163400000000, 0.0019798900000000, -0.0003011500000000 ] - [ -0.0009293900000000, 0.0009515100000000, 0.0002143400000000 ] - [ -0.0012366800000000, 0.0007078900000000, -0.0004847900000000 ] - [ 0.0013971800000000, -0.0059170700000000, 0.0074300100000000 ] - [ -0.0018758100000000, -0.0005619500000000, 0.0003519400000000 ] - [ 0.0043340900000000, -0.0001554800000000, 0.0013826500000000 ] - [ -0.0001831300000000, -0.0001745400000000, 0.0000742600000000 ] - [ -0.2146975700000000, 0.3541251000000000, -0.0414481700000000 ] - [ 0.0015766900000000, 0.0016769800000000, 0.0004716600000000 ] - [ 0.0038805000000000, -0.0329462900000000, 0.0047921500000000 ] - [ -0.0005817700000000, -0.0045691500000000, -0.0005260500000000 ] - [ -0.0000416800000000, -0.0004156300000000, -0.0001086400000000 ] - [ 0.0000139500000000, -0.0009382000000000, 0.0000803500000000 ] - [ -0.0000877900000000, -0.0010723400000000, 0.0000188600000000 ] - [ 0.0009989000000000, 0.0007863700000000, 0.0001190000000000 ] - [ -0.0000496600000000, -0.0010033600000000, -0.0005314700000000 ] - [ 0.0015473400000000, -0.0013707500000000, 0.0005986600000000 ] - [ 0.0006001700000000, 0.0001595500000000, 0.0001696900000000 ] - [ -0.0001564700000000, -0.0003883400000000, 0.0001530400000000 ] - [ 0.0006568000000000, -0.0004227300000000, -0.0000126800000000 ] - [ 0.0023407300000000, -0.0003141600000000, 0.0003557300000000 ] - [ -0.0011389500000000, 0.0004534200000000, 0.0002157400000000 ] - [ 0.0005236200000000, -0.0011324400000000, -0.0002795600000000 ] - [ -0.0010332500000000, -0.0021548300000000, 0.0020362400000000 ] - [ -0.0011954900000000, -0.0005286700000000, -0.0000521500000000 ] - [ 0.0014843300000000, 0.0006237100000000, 0.0013232400000000 ] - [ -0.0006558300000000, -0.0003001800000000, -0.0000526600000000 ] - [ -0.0020601100000000, -0.0001102500000000, 0.0007005000000000 ] - [ 0.0002521300000000, 0.0011955000000000, 0.0003820400000000 ] - [ -0.0004304900000000, -0.0014010600000000, -0.0002257600000000 ] - [ 0.0005816900000000, 0.0009978800000000, -0.0001546100000000 ] - [ -0.0003599600000000, -0.0006515500000000, 0.0000678100000000 ] - [ 0.0171291100000000, -0.0118449400000000, -0.0005453100000000 ] - [ -0.0012845900000000, 0.0014941600000000, -0.0000881100000000 ] - [ -0.0031073300000000, 0.0062619400000000, -0.0000588500000000 ] - [ 0.0006067900000000, -0.0004235300000000, 0.0001353900000000 ] - [ -0.0012000300000000, 0.0000887000000000, -0.0004138100000000 ] - [ -0.0019346800000000, -0.0019242300000000, 0.0035767700000000 ] - [ -0.0005245200000000, -0.0014411200000000, -0.0001993100000000 ] - [ 0.0274613100000000, -0.0035436600000000, 0.0042879400000000 ] - [ 0.0007904400000000, -0.0012408400000000, -0.0000038200000000 ] - [ 0.0010632600000000, -0.0023055500000000, -0.0000506200000000 ] - [ -0.0011594000000000, 0.0012011100000000, 0.0000026400000000 ] - [ 0.0002380300000000, -0.0013033500000000, -0.0003623900000000 ] - [ 0.0008831600000000, 0.0004833900000000, -0.0002505400000000 ] - [ 0.0005256200000000, -0.0002989700000000, 0.0000990100000000 ] - [ -0.0004928000000000, -0.0008583700000000, 0.0000145600000000 ] - [ 0.0038867500000000, 0.0041165700000000, 0.0001414200000000 ] - [ -0.0007486900000000, -0.0013711100000000, 0.0001024600000000 ] - [ -0.0010328500000000, 0.0009086100000000, 0.0001856000000000 ] - [ 0.0008815300000000, -0.0021380300000000, 0.0000399800000000 ] - [ -0.0005339300000000, -0.0002686000000000, 0.0000438400000000 ] - [ -0.0003788700000000, 0.0001514100000000, -0.0013267000000000 ] - [ 0.0002510000000000, -0.0011896900000000, 0.0004831300000000 ] - [ -0.0048734800000000, -0.0004341700000000, -0.0003937900000000 ] - [ -0.0085596300000000, -0.0196605700000000, 0.0024752300000000 ] - [ -0.0005368000000000, -0.0003269900000000, -0.0001161000000000 ] - [ 0.0015183800000000, 0.0008389900000000, -0.0005299400000000 ] - [ 0.0005397300000000, 0.0001719100000000, 0.0008468900000000 ] - [ -0.0003405200000000, -0.0005871000000000, 0.0000126900000000 ] - [ 0.0028112800000000, 0.0021364200000000, -0.0005107500000000 ] - [ -0.0010601300000000, 0.0016912900000000, 0.0000711500000000 ] - [ -0.0022699300000000, 0.0004893600000000, 0.0002785100000000 ] - [ 0.0008973800000000, -0.0005417400000000, 0.0000537100000000 ] - [ 0.0026585900000000, 0.0010796500000000, 0.0035240000000000 ] - [ 0.0006997100000000, -0.0000544300000000, -0.0001824800000000 ] - [ 0.0011476900000000, -0.0006227200000000, 0.0000733200000000 ] - [ -0.0008671900000000, -0.0006334900000000, -0.0001133200000000 ] - [ 0.0007990700000000, 0.0022105100000000, 0.0005727700000000 ] - [ 0.0045992900000000, -0.0017737900000000, 0.0226045300000000 ] - [ 0.0004351900000000, -0.0011064700000000, -0.0000447200000000 ] - [ 0.0006822000000000, 0.0000009100000000, 0.0000131500000000 ] - [ -0.0025148500000000, -0.0027642500000000, -0.0135431900000000 ] - [ -0.0040897300000000, -0.0017309500000000, -0.0003964000000000 ] - [ 0.0002916100000000, 0.0003783900000000, -0.0001529400000000 ] - [ 0.0008809300000000, -0.0011865600000000, 0.0002000100000000 ] - [ 0.0004463300000000, -0.0002114000000000, -0.0001386100000000 ] - [ -0.0006114300000000, -0.0003539300000000, -0.0000270300000000 ] - [ 0.0021913100000000, -0.0003196000000000, 0.0023524200000000 ] - [ 0.0009387900000000, -0.0012941000000000, 0.0002997400000000 ] - [ -0.0001057500000000, -0.0002325500000000, 0.0001163800000000 ] - [ -0.0005607000000000, -0.0000666100000000, -0.0002751600000000 ] - [ 0.0002429200000000, 0.0002410100000000, 0.0000958600000000 ] - [ 0.0005879000000000, 0.0011837900000000, 0.0004297900000000 ] - [ -0.0020242400000000, 0.0001839300000000, 0.0013300900000000 ] - [ 0.0035086700000000, -0.0028203800000000, -0.0007318000000000 ] - [ 0.0010020900000000, -0.0011088000000000, 0.0000858000000000 ] - [ -0.0001286500000000, -0.0013836200000000, 0.0000590900000000 ] - [ 0.0045113500000000, -0.0011316900000000, 0.0005809400000000 ] - [ 0.0005267000000000, -0.0005463400000000, -0.0000378600000000 ] - [ 0.0009986600000000, -0.0002756000000000, -0.0002165100000000 ] - [ 0.0006772500000000, 0.0014373300000000, -0.0013653600000000 ] - [ 0.0008133500000000, -0.0015525400000000, -0.0002668200000000 ] - [ 0.0016833500000000, -0.0004873000000000, -0.0001750300000000 ] - [ -0.0002772100000000, -0.0020208700000000, 0.0003271300000000 ] - [ 0.0015695600000000, -0.0010842200000000, 0.0001171000000000 ] - [ 0.0004661000000000, 0.0005564200000000, -0.0001028900000000 ] - [ 0.0009177600000000, -0.0006456700000000, 0.0003324000000000 ] - [ 0.0005948600000000, -0.0006149900000000, -0.0002864100000000 ] - [ 0.0013442300000000, -0.0044484300000000, -0.0010011100000000 ] - [ 0.0006467500000000, 0.0009079900000000, 0.0002399900000000 ] - [ 0.0003548900000000, 0.0000324600000000, 0.0000259000000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000663400000000, 0.0000358700000000, 0.0000973500000000 ] - [ 0.0000907000000000, 0.0000240800000000, 0.0001021300000000 ] - [ 0.0000685600000000, 0.0001104700000000, 0.0002192500000000 ] - [ -0.0001064300000000, -0.0000935700000000, 0.0002386800000000 ] - [ -0.0001930500000000, -0.0001500300000000, 0.0000850900000000 ] - [ 0.0000757300000000, -0.0000368300000000, 0.0002557900000000 ] - [ -0.0001474400000000, -0.0000409300000000, 0.0000910700000000 ] - [ -0.0000223100000000, 0.0000108400000000, 0.0001281800000000 ] - [ -0.0000787200000000, 0.0003011000000000, -0.0000874800000000 ] - [ 0.0000151900000000, -0.0000725400000000, 0.0001914900000000 ] - [ 0.0005443100000000, -0.0002190500000000, -0.0002820600000000 ] - [ 0.0004541400000000, -0.0004759600000000, 0.0001461900000000 ] - [ 0.0000770300000000, -0.0000984300000000, 0.0000191100000000 ] - [ -0.0013230300000000, -0.0007682500000000, 0.0001435700000000 ] - [ 0.0025165400000000, 0.0017108400000000, 0.0046874700000000 ] - [ -0.0002777600000000, 0.0007155000000000, 0.0003924300000000 ] - [ -0.0001010300000000, 0.0000294800000000, 0.0000956700000000 ] - [ 0.0031234800000000, 0.0012853700000000, -0.0014586600000000 ] - [ 0.0020534900000000, 0.0010606800000000, -0.0004979700000000 ] - [ -0.0000198300000000, 0.0000657400000000, 0.0001413800000000 ] - [ 0.0001790600000000, -0.0000332900000000, 0.0000314000000000 ] - [ -0.0000702200000000, -0.0000624800000000, -0.0000130900000000 ] - [ 0.0000276500000000, -0.0001780200000000, -0.0000003200000000 ] - [ -0.0002660400000000, 0.0000343000000000, 0.0000077700000000 ] - [ -0.0000416400000000, -0.0004241400000000, -0.0001249600000000 ] - [ 0.0002948100000000, 0.0005315200000000, -0.0019645200000000 ] - [ 0.0006681900000000, -0.0006144300000000, -0.0001014800000000 ] - [ -0.0072052300000000, 0.0397681000000000, 0.0339253500000000 ] - [ 0.0002800600000000, 0.0000181400000000, 0.0004661500000000 ] - [ -0.0002703500000000, -0.0009471700000000, 0.0000051300000000 ] - [ -0.0009196200000000, -0.0007972800000000, -0.0009339300000000 ] - [ 0.0013539400000000, -0.0008669300000000, -0.0113129600000000 ] - [ -0.0000409000000000, 0.0000370700000000, 0.0004069900000000 ] - [ -0.0006443400000000, 0.0004738900000000, -0.0001250700000000 ] - [ 0.0002334500000000, 0.0009942000000000, -0.0001520000000000 ] - [ -0.0003937800000000, -0.0000444500000000, 0.0000106000000000 ] - [ -0.0001092200000000, -0.0000172300000000, 0.0004123100000000 ] - [ -0.0007468200000000, 0.0007765600000000, 0.0014545400000000 ] - [ 0.0000147500000000, 0.0000701300000000, 0.0003988500000000 ] - [ 0.0000988500000000, -0.0001813000000000, 0.0000267000000000 ] - [ -0.0002562000000000, -0.0002599500000000, 0.0005415600000000 ] - [ -0.0006803200000000, -0.0005331200000000, -0.0008028100000000 ] - [ -0.0004556500000000, -0.0000812400000000, 0.0007183600000000 ] - [ 0.0008615500000000, 0.0003080200000000, -0.0000203500000000 ] - [ 0.0002645800000000, 0.0001028300000000, -0.0000705800000000 ] - [ -0.0001368700000000, 0.0006288400000000, -0.0002922100000000 ] - [ -0.0006756500000000, -0.0008440600000000, -0.0009017900000000 ] - [ 0.0002848000000000, -0.0001406100000000, -0.0003349200000000 ] - [ 0.0000133500000000, -0.0005054400000000, -0.0005256100000000 ] - [ 0.0000363900000000, 0.0017688300000000, 0.0024920200000000 ] - [ -0.0003470900000000, 0.0002794500000000, -0.0006312600000000 ] - [ -0.0012890000000000, -0.0009054300000000, 0.0000419400000000 ] - [ 0.0011422100000000, 0.0005453200000000, -0.0006657300000000 ] - [ 0.0001677000000000, -0.0004834300000000, 0.0001592600000000 ] - [ -0.0005622300000000, 0.0023352200000000, -0.0000876500000000 ] - [ 0.0002217000000000, -0.0000099400000000, -0.0006408500000000 ] - [ -0.0001306000000000, 0.0007121800000000, -0.0006605000000000 ] - [ 0.0000415400000000, 0.0002409200000000, 0.0001385100000000 ] - [ -0.0003307200000000, -0.0000706600000000, 0.0001803400000000 ] - [ -0.0003121400000000, -0.0007628500000000, 0.0003451100000000 ] - [ 0.0465459300000000, -0.0483052500000000, 0.0626969700000000 ] - [ -0.0006750300000000, -0.0002916400000000, -0.0011139000000000 ] - [ 0.0003622600000000, -0.0002229700000000, -0.0009721100000000 ] - [ -0.0000624600000000, -0.0003684800000000, -0.0002905500000000 ] - [ 0.0001580400000000, -0.0001927000000000, -0.0006731500000000 ] - [ -0.0002676900000000, 0.0002782800000000, 0.0001685500000000 ] - [ -0.0002931100000000, -0.0001563100000000, -0.0006285900000000 ] - [ 0.0000294500000000, 0.0007727200000000, 0.0003340300000000 ] - [ 0.0003587900000000, 0.0004256000000000, -0.0005404500000000 ] - [ 0.0021588000000000, 0.0021595600000000, -0.0101528100000000 ] - [ -0.0009650800000000, -0.0001977600000000, 0.0003633600000000 ] - [ 0.0002214400000000, -0.0002641000000000, 0.0012391200000000 ] - [ 0.0002922400000000, 0.0001608900000000, 0.0001168400000000 ] - [ -0.0536791400000000, 0.0124213200000000, -0.1053527000000000 ] - [ 0.0003354900000000, 0.0000346800000000, 0.0005197100000000 ] - [ -0.0010283400000000, 0.0049055100000000, -0.0072516500000000 ] - [ 0.0000172700000000, 0.0001780300000000, -0.0000902500000000 ] - [ 0.0001442100000000, 0.0001507400000000, -0.0000923300000000 ] - [ 0.0000600700000000, 0.0005120500000000, -0.0000899700000000 ] - [ -0.0005841300000000, 0.0000302300000000, 0.0000515300000000 ] - [ -0.0001367000000000, 0.0001265300000000, -0.0000601700000000 ] - [ -0.0003450000000000, 0.0001683300000000, 0.0001508200000000 ] - [ 0.0002023900000000, -0.0006506000000000, 0.0003299700000000 ] - [ -0.0002290600000000, 0.0002688300000000, -0.0002160500000000 ] - [ 0.0003060900000000, -0.0001440600000000, 0.0000703000000000 ] - [ -0.0000365000000000, 0.0003642500000000, 0.0000807000000000 ] - [ 0.0006929700000000, 0.0000169800000000, 0.0000041400000000 ] - [ -0.0001521200000000, 0.0000690000000000, 0.0001702200000000 ] - [ -0.0001037300000000, -0.0001880600000000, -0.0000021500000000 ] - [ 0.0001358200000000, 0.0000064000000000, 0.0003592300000000 ] - [ 0.0000959500000000, 0.0003586500000000, -0.0002378700000000 ] - [ 0.0017262900000000, -0.0002960100000000, 0.0026235700000000 ] - [ 0.0001926700000000, 0.0000865800000000, -0.0000834700000000 ] - [ -0.0003746800000000, -0.0000119500000000, 0.0003091600000000 ] - [ -0.0003689200000000, 0.0000849400000000, 0.0008579200000000 ] - [ -0.0000958500000000, -0.0002016100000000, -0.0000204500000000 ] - [ -0.0002285700000000, 0.0001507900000000, -0.0002183300000000 ] - [ 0.0002988800000000, -0.0001412100000000, -0.0000625400000000 ] - [ -0.0013372500000000, -0.0005247300000000, -0.0045429900000000 ] - [ 0.0000564100000000, -0.0002580600000000, -0.0003275400000000 ] - [ -0.0001923900000000, 0.0002569400000000, 0.0052700500000000 ] - [ 0.0001863800000000, 0.0004103400000000, 0.0001298700000000 ] - [ 0.0005915700000000, 0.0006704900000000, -0.0001642600000000 ] - [ -0.0007553600000000, -0.0009163400000000, -0.0001744200000000 ] - [ -0.0002386900000000, -0.0001542900000000, -0.0000139300000000 ] - [ -0.0031547400000000, 0.0003981500000000, -0.0073737200000000 ] - [ -0.0000126100000000, 0.0007648700000000, -0.0004118900000000 ] - [ -0.0001347600000000, -0.0002854300000000, 0.0000382900000000 ] - [ -0.0003267100000000, -0.0002426000000000, 0.0006082400000000 ] - [ -0.0002744100000000, -0.0001815500000000, -0.0001613600000000 ] - [ 0.0003405300000000, 0.0001584900000000, -0.0001920600000000 ] - [ 0.0002503900000000, 0.0002222100000000, 0.0000589200000000 ] - [ 0.0001054500000000, -0.0004258000000000, 0.0000183700000000 ] - [ 0.0005538400000000, -0.0001357600000000, -0.0007450800000000 ] - [ -0.0002897500000000, 0.0001862900000000, 0.0001153500000000 ] - [ -0.0002940600000000, -0.0000650100000000, 0.0002981400000000 ] - [ -0.0000810700000000, -0.0005238000000000, 0.0001417800000000 ] - [ -0.0001128200000000, 0.0001485300000000, -0.0000131000000000 ] - [ 0.0002596200000000, 0.0014361600000000, 0.0029065100000000 ] - [ 0.0000917900000000, -0.0000218500000000, 0.0007118300000000 ] - [ -0.0000461000000000, 0.0000282300000000, -0.0009487800000000 ] - [ -0.0012603700000000, -0.0056357300000000, -0.0031141600000000 ] - [ -0.0000524200000000, 0.0001915700000000, -0.0001494200000000 ] - [ 0.0008604500000000, 0.0004404100000000, -0.0003037700000000 ] - [ 0.0000820900000000, -0.0000714000000000, 0.0008208100000000 ] - [ 0.0004478300000000, -0.0001458500000000, 0.0000886600000000 ] - [ -0.0003421700000000, -0.0003199100000000, -0.0002017500000000 ] - [ -0.0000025400000000, -0.0002992800000000, -0.0003011300000000 ] - [ 0.0000002500000000, 0.0004296900000000, 0.0005523400000000 ] - [ 0.0003957000000000, 0.0002037900000000, 0.0000377500000000 ] - [ 0.0015928100000000, -0.0013416500000000, 0.0000405500000000 ] - [ 0.0002714200000000, 0.0000638900000000, -0.0002334800000000 ] - [ -0.0000260900000000, 0.0000142000000000, 0.0007633600000000 ] - [ -0.0001662700000000, -0.0000239000000000, -0.0000394600000000 ] - [ 0.0004810800000000, 0.0005389100000000, 0.0003821700000000 ] - [ 0.0137729900000000, -0.0158093300000000, 0.0233848000000000 ] - [ -0.0001768600000000, -0.0000991800000000, -0.0001936200000000 ] - [ 0.0001255400000000, -0.0000935700000000, 0.0000201600000000 ] - [ -0.0011989700000000, 0.0081696700000000, 0.0113991900000000 ] - [ -0.0006410100000000, -0.0002168200000000, -0.0001127200000000 ] - [ -0.0000968200000000, 0.0001431300000000, -0.0002448400000000 ] - [ 0.0001349000000000, -0.0000464100000000, 0.0000075800000000 ] - [ -0.0001665100000000, -0.0000084500000000, -0.0000819200000000 ] - [ -0.0002109100000000, 0.0000322500000000, -0.0001113800000000 ] - [ 0.0007627700000000, -0.0000800200000000, -0.0007690400000000 ] - [ 0.0003951000000000, -0.0003892100000000, 0.0002123000000000 ] - [ 0.0000042100000000, 0.0003249400000000, 0.0000659700000000 ] - [ 0.0001880200000000, 0.0002982900000000, 0.0000175900000000 ] - [ -0.0002422300000000, 0.0000309100000000, 0.0000480500000000 ] - [ 0.0005351400000000, 0.0000161500000000, 0.0001108800000000 ] - [ -0.0019140400000000, -0.0006830200000000, 0.0029628100000000 ] - [ 0.0000323500000000, -0.0002805200000000, -0.0002459700000000 ] - [ 0.0003116300000000, 0.0001878000000000, -0.0000487500000000 ] - [ -0.0000221100000000, -0.0003575000000000, 0.0000745900000000 ] - [ 0.0000213900000000, -0.0003238100000000, -0.0003035200000000 ] - [ 0.0000481300000000, 0.0002435300000000, -0.0000732100000000 ] - [ 0.0001284700000000, -0.0000250500000000, -0.0000175000000000 ] - [ -0.0015277000000000, -0.0006191400000000, 0.0019588200000000 ] - [ -0.0003376300000000, 0.0001439700000000, -0.0001439500000000 ] - [ 0.0003429900000000, -0.0001710500000000, -0.0000081700000000 ] - [ -0.0001716000000000, -0.0001414400000000, -0.0001438600000000 ] - [ 0.0000038000000000, -0.0004573900000000, 0.0001158100000000 ] - [ -0.0002174500000000, 0.0004810300000000, -0.0000259200000000 ] - [ 0.0000175600000000, 0.0000206000000000, 0.0008712400000000 ] - [ 0.0000777300000000, -0.0007740600000000, -0.0003303800000000 ] - [ 0.0010831500000000, -0.0010990500000000, -0.0006955000000000 ] - [ 0.0001906600000000, 0.0003909100000000, 0.0002127500000000 ] - [ -0.0004118900000000, -0.0001529900000000, 0.0001114400000000 ]- atom: 74 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000200600000000, -0.0000034300000000, 0.0001288900000000 ] - [ -0.0000921300000000, -0.0000242900000000, 0.0000226900000000 ] - [ 0.0000436400000000, 0.0000371100000000, 0.0002386300000000 ] - [ -0.0000045000000000, -0.0000540700000000, 0.0002202400000000 ] - [ -0.0000998300000000, -0.0000553000000000, -0.0000508100000000 ] - [ 0.0001092600000000, 0.0000152500000000, 0.0002042600000000 ] - [ 0.0001490800000000, 0.0000420400000000, 0.0000171300000000 ] - [ 0.0000698600000000, -0.0000442200000000, 0.0000989300000000 ] - [ 0.0000783600000000, -0.0003042900000000, 0.0001904200000000 ] - [ 0.0000582300000000, -0.0000958000000000, 0.0002674000000000 ] - [ -0.0002523600000000, 0.0004248000000000, 0.0003046100000000 ] - [ -0.0004511600000000, 0.0004750700000000, -0.0000895200000000 ] - [ -0.0000776800000000, 0.0001000100000000, 0.0001030300000000 ] - [ 0.0012664800000000, 0.0007449600000000, 0.0000902000000000 ] - [ -0.0028938900000000, -0.0018351800000000, -0.0044425300000000 ] - [ 0.0002039700000000, -0.0005457600000000, 0.0000723500000000 ] - [ 0.0000972700000000, -0.0000864900000000, 0.0001297000000000 ] - [ -0.0030728900000000, -0.0012587800000000, 0.0016556500000000 ] - [ -0.0020862000000000, -0.0007017500000000, 0.0005457000000000 ] - [ 0.0000256700000000, -0.0000100800000000, 0.0000852900000000 ] - [ 0.0001473400000000, -0.0001199200000000, 0.0000040800000000 ] - [ 0.0000707000000000, 0.0000617600000000, 0.0000646000000000 ] - [ 0.0000053800000000, -0.0001794600000000, 0.0000338400000000 ] - [ -0.0000589800000000, 0.0001188700000000, 0.0000269300000000 ] - [ -0.0000957700000000, -0.0008547300000000, -0.0003743700000000 ] - [ -0.0005499100000000, -0.0001812400000000, 0.0019183700000000 ] - [ 0.0006333000000000, -0.0004816700000000, -0.0000084100000000 ] - [ 0.0082176300000000, -0.0387168200000000, -0.0347869900000000 ] - [ -0.0002944700000000, 0.0000283300000000, 0.0003330000000000 ] - [ -0.0000361500000000, -0.0007144800000000, -0.0001130700000000 ] - [ -0.0006756900000000, 0.0002352600000000, 0.0008328400000000 ] - [ -0.0013440300000000, 0.0008283800000000, 0.0121133300000000 ] - [ -0.0000073400000000, -0.0000255300000000, 0.0003968700000000 ] - [ -0.0004051600000000, 0.0002854000000000, -0.0003721300000000 ] - [ 0.0000718800000000, 0.0006709000000000, 0.0000414100000000 ] - [ -0.0000351800000000, -0.0000187600000000, -0.0000523100000000 ] - [ 0.0001311900000000, 0.0000587000000000, 0.0003871200000000 ] - [ -0.0005905100000000, 0.0002909900000000, -0.0015347900000000 ] - [ -0.0000347600000000, -0.0001148400000000, 0.0003989800000000 ] - [ 0.0001700700000000, -0.0001752100000000, -0.0000722700000000 ] - [ 0.0004781700000000, 0.0006642400000000, -0.0005533600000000 ] - [ -0.0004918200000000, 0.0000013800000000, 0.0003018400000000 ] - [ 0.0005073300000000, 0.0000678600000000, 0.0000799000000000 ] - [ 0.0007375500000000, 0.0002614800000000, -0.0000830100000000 ] - [ 0.0001689800000000, -0.0000418400000000, 0.0000277800000000 ] - [ 0.0002766400000000, 0.0006499900000000, -0.0002091500000000 ] - [ 0.0004920100000000, 0.0004161300000000, 0.0008575100000000 ] - [ 0.0007644000000000, -0.0006149400000000, -0.0001660600000000 ] - [ 0.0002594100000000, -0.0005280500000000, -0.0006098500000000 ] - [ 0.0016168000000000, -0.0014083000000000, -0.0018480600000000 ] - [ 0.0001316900000000, 0.0003506900000000, -0.0006443800000000 ] - [ 0.0024419300000000, -0.0003347700000000, 0.0006388000000000 ] - [ -0.0004824100000000, -0.0010805100000000, 0.0010344500000000 ] - [ -0.0003263500000000, -0.0003524200000000, 0.0001883400000000 ] - [ -0.0006015100000000, -0.0010645700000000, 0.0007552100000000 ] - [ 0.0005039600000000, -0.0001152500000000, -0.0006265200000000 ] - [ -0.0001406900000000, 0.0003200700000000, -0.0004774700000000 ] - [ 0.0001204600000000, 0.0005899000000000, 0.0002127700000000 ] - [ -0.0004478000000000, -0.0002176500000000, 0.0001683900000000 ] - [ -0.0001873400000000, -0.0008664500000000, 0.0003248400000000 ] - [ -0.0468389400000000, 0.0477163900000000, -0.0643146100000000 ] - [ -0.0000599200000000, -0.0004793200000000, -0.0000222000000000 ] - [ 0.0006892000000000, -0.0000577700000000, -0.0001679200000000 ] - [ -0.0003508300000000, -0.0001922000000000, -0.0009886700000000 ] - [ 0.0000638200000000, -0.0004403900000000, -0.0005992500000000 ] - [ -0.0003941100000000, 0.0002813000000000, 0.0001905000000000 ] - [ -0.0004226800000000, 0.0002716600000000, -0.0006367500000000 ] - [ 0.0004725600000000, 0.0008555700000000, 0.0003374900000000 ] - [ 0.0003851000000000, 0.0003443400000000, -0.0005952900000000 ] - [ -0.0017297400000000, -0.0016036200000000, 0.0088757900000000 ] - [ -0.0006978100000000, -0.0001803000000000, 0.0003111600000000 ] - [ 0.0005518100000000, 0.0005549400000000, -0.0009053700000000 ] - [ 0.0003234500000000, 0.0001346300000000, 0.0000624200000000 ] - [ 0.0538825500000000, -0.0114738100000000, 0.1063513000000000 ] - [ 0.0005232900000000, 0.0002232000000000, -0.0002558400000000 ] - [ 0.0002255800000000, -0.0043635500000000, 0.0073189700000000 ] - [ 0.0001554700000000, -0.0003213200000000, 0.0000473900000000 ] - [ 0.0000394300000000, 0.0001314000000000, -0.0000283600000000 ] - [ 0.0000020900000000, -0.0000176100000000, -0.0002464900000000 ] - [ -0.0005103300000000, -0.0000669100000000, -0.0000534900000000 ] - [ -0.0005759500000000, 0.0001248500000000, 0.0000080400000000 ] - [ -0.0002197800000000, 0.0002186700000000, 0.0000285400000000 ] - [ 0.0004109000000000, -0.0003237600000000, -0.0003109200000000 ] - [ -0.0011654100000000, 0.0006261900000000, -0.0004992200000000 ] - [ 0.0002589700000000, -0.0002431300000000, 0.0001055000000000 ] - [ 0.0000279100000000, 0.0005464300000000, -0.0000019200000000 ] - [ 0.0003955200000000, 0.0000222600000000, -0.0000073300000000 ] - [ -0.0000038500000000, 0.0002333100000000, -0.0002877100000000 ] - [ -0.0000806000000000, -0.0000929900000000, -0.0001165200000000 ] - [ -0.0000463700000000, 0.0003581200000000, -0.0007790500000000 ] - [ -0.0000444300000000, -0.0001401900000000, 0.0001991300000000 ] - [ -0.0014835300000000, -0.0002043100000000, -0.0025281500000000 ] - [ 0.0003413300000000, 0.0000900900000000, -0.0000510600000000 ] - [ 0.0005962000000000, 0.0000690400000000, -0.0003558200000000 ] - [ 0.0005269600000000, -0.0000587400000000, 0.0007651200000000 ] - [ 0.0000455300000000, -0.0000204300000000, -0.0000206700000000 ] - [ -0.0001598200000000, 0.0001432300000000, -0.0001113500000000 ] - [ 0.0001263900000000, -0.0002380500000000, -0.0000711800000000 ] - [ -0.0001126300000000, -0.0002467200000000, 0.0038387500000000 ] - [ -0.0001689500000000, -0.0002961100000000, 0.0001896800000000 ] - [ 0.0000780000000000, 0.0004668700000000, -0.0053254800000000 ] - [ 0.0000253900000000, 0.0004638200000000, 0.0001368800000000 ] - [ -0.0006469300000000, -0.0013617000000000, 0.0003467600000000 ] - [ 0.0001414500000000, 0.0006163500000000, 0.0003358300000000 ] - [ -0.0003271000000000, -0.0003317100000000, -0.0000359300000000 ] - [ 0.0036734000000000, -0.0009508500000000, 0.0076118000000000 ] - [ 0.0000940300000000, 0.0008904100000000, -0.0003035100000000 ] - [ -0.0001764500000000, -0.0001626500000000, 0.0000459100000000 ] - [ -0.0004767200000000, -0.0002058800000000, -0.0005272100000000 ] - [ -0.0001815900000000, -0.0000110000000000, -0.0001749700000000 ] - [ 0.0001135400000000, 0.0000350200000000, -0.0001440600000000 ] - [ 0.0000591600000000, 0.0002280600000000, 0.0000245300000000 ] - [ -0.0000966500000000, -0.0004858500000000, 0.0000598700000000 ] - [ -0.0000048500000000, 0.0000890600000000, 0.0008352600000000 ] - [ -0.0003781200000000, 0.0002523200000000, 0.0001428000000000 ] - [ -0.0004318900000000, -0.0002869100000000, -0.0000356100000000 ] - [ -0.0001321300000000, -0.0003469400000000, 0.0001248900000000 ] - [ -0.0000554600000000, 0.0000042600000000, -0.0000288800000000 ] - [ 0.0002764800000000, -0.0004413000000000, -0.0028961900000000 ] - [ 0.0000177100000000, -0.0001051900000000, 0.0009103200000000 ] - [ 0.0004033800000000, -0.0000889600000000, 0.0006831800000000 ] - [ 0.0011923500000000, 0.0054640500000000, 0.0031508300000000 ] - [ -0.0000420900000000, 0.0001009700000000, -0.0001355300000000 ] - [ 0.0006098100000000, 0.0003172800000000, -0.0004083200000000 ] - [ -0.0001385900000000, -0.0000789200000000, 0.0007945700000000 ] - [ 0.0003386000000000, -0.0003131100000000, -0.0000095000000000 ] - [ -0.0002049900000000, -0.0006685700000000, 0.0002030600000000 ] - [ 0.0001199700000000, -0.0004205000000000, 0.0002589700000000 ] - [ -0.0006498100000000, 0.0001893000000000, -0.0002886900000000 ] - [ 0.0004018900000000, 0.0002445000000000, 0.0000447800000000 ] - [ -0.0013240600000000, 0.0010875000000000, -0.0004628600000000 ] - [ 0.0000915200000000, 0.0000452000000000, -0.0001955400000000 ] - [ 0.0000804100000000, 0.0001365500000000, 0.0008490700000000 ] - [ -0.0000555400000000, -0.0000389300000000, -0.0000035100000000 ] - [ -0.0004084600000000, -0.0004279600000000, -0.0003692200000000 ] - [ -0.0133796800000000, 0.0152295800000000, -0.0231879500000000 ] - [ -0.0001875100000000, -0.0000089000000000, -0.0002336600000000 ] - [ -0.0000533800000000, -0.0000307500000000, -0.0000046500000000 ] - [ 0.0010456000000000, -0.0080771300000000, -0.0097054800000000 ] - [ 0.0004155700000000, 0.0007087200000000, 0.0001987500000000 ] - [ -0.0001827800000000, 0.0001194500000000, -0.0001887000000000 ] - [ -0.0000025200000000, 0.0000428500000000, 0.0000078300000000 ] - [ -0.0001731900000000, 0.0000230100000000, -0.0000409400000000 ] - [ -0.0001324100000000, 0.0000308300000000, -0.0001549800000000 ] - [ -0.0008517500000000, -0.0002874800000000, 0.0003189800000000 ] - [ 0.0002731900000000, -0.0000502500000000, 0.0000464600000000 ] - [ 0.0000473600000000, 0.0003570800000000, 0.0001087300000000 ] - [ 0.0000219400000000, -0.0000486900000000, -0.0002897800000000 ] - [ -0.0003032900000000, 0.0000181900000000, 0.0000370400000000 ] - [ -0.0002001200000000, -0.0000308600000000, -0.0002307100000000 ] - [ 0.0013768400000000, 0.0004878400000000, -0.0031003500000000 ] - [ -0.0001094700000000, -0.0001972100000000, -0.0000879900000000 ] - [ 0.0002531100000000, 0.0003034000000000, -0.0000021500000000 ] - [ 0.0001205300000000, 0.0000582500000000, -0.0003574300000000 ] - [ -0.0000911900000000, 0.0004510200000000, 0.0003240600000000 ] - [ 0.0000648500000000, 0.0003108400000000, -0.0000673200000000 ] - [ -0.0002620300000000, 0.0000280200000000, 0.0000334100000000 ] - [ 0.0019032700000000, 0.0003265300000000, -0.0022906600000000 ] - [ -0.0000894700000000, 0.0002379600000000, 0.0000100900000000 ] - [ 0.0003666400000000, -0.0000778400000000, -0.0000452800000000 ] - [ -0.0000398900000000, -0.0001078400000000, -0.0001287000000000 ] - [ -0.0000348600000000, -0.0003460000000000, 0.0001432400000000 ] - [ -0.0004017600000000, 0.0004982200000000, 0.0000469000000000 ] - [ -0.0001291700000000, 0.0001085700000000, 0.0007558200000000 ] - [ -0.0001616200000000, -0.0008818300000000, -0.0003838500000000 ] - [ 0.0003153100000000, 0.0001935800000000, -0.0000207400000000 ] - [ -0.0001636300000000, 0.0004128200000000, 0.0000469400000000 ] - [ -0.0004507000000000, -0.0001036900000000, 0.0001529200000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0002131000000000, -0.0004530600000000, 0.0001423200000000 ] - [ 0.0001544600000000, 0.0001907900000000, 0.0000840000000000 ] - [ 0.0003255600000000, 0.0002568700000000, 0.0002340100000000 ] - [ 0.0008730300000000, -0.0016249200000000, -0.0008066100000000 ] - [ -0.0003640600000000, -0.0004395800000000, 0.0000413800000000 ] - [ -0.0002617200000000, 0.0002520800000000, 0.0001962400000000 ] - [ -0.0008852300000000, -0.0000800000000000, -0.0001385100000000 ] - [ -0.0001479000000000, -0.0004437800000000, 0.0000901800000000 ] - [ -0.0000617700000000, -0.0012052700000000, -0.0003855800000000 ] - [ -0.0001184700000000, -0.0004937400000000, 0.0002238000000000 ] - [ -0.0001874700000000, 0.0003042800000000, -0.0000219100000000 ] - [ 0.0001642000000000, -0.0013072200000000, 0.0005513600000000 ] - [ 0.0001347500000000, 0.0001242300000000, 0.0000349800000000 ] - [ -0.0009372400000000, -0.0000396000000000, 0.0002269600000000 ] - [ -0.0005498300000000, 0.0017157200000000, -0.0008923800000000 ] - [ -0.0003312500000000, 0.0002453800000000, 0.0002408500000000 ] - [ 0.0003278800000000, 0.0021160700000000, 0.0020911300000000 ] - [ -0.0008476600000000, 0.0000366600000000, -0.0001045900000000 ] - [ -0.0002532500000000, 0.0028921300000000, 0.0026221800000000 ] - [ 0.0040735500000000, 0.0007108700000000, 0.0010484800000000 ] - [ 0.0003887500000000, -0.0000193400000000, 0.0000415900000000 ] - [ -0.0008856100000000, -0.0000365600000000, 0.0002185800000000 ] - [ -0.0003042800000000, 0.0001314800000000, 0.0000661200000000 ] - [ 0.0001775300000000, -0.0010980200000000, 0.0005995000000000 ] - [ 0.0015840500000000, -0.0010810300000000, -0.0004190800000000 ] - [ 0.0876257000000000, 0.0573414400000000, 0.0286460200000000 ] - [ 0.0003678800000000, -0.0007681900000000, -0.0000544300000000 ] - [ -0.0005672100000000, 0.0002953500000000, 0.0013538700000000 ] - [ -0.0009464800000000, 0.0000682600000000, 0.0003710000000000 ] - [ 0.0003197500000000, -0.0012553900000000, -0.0001646500000000 ] - [ -0.0002873800000000, 0.0008197800000000, -0.0013578600000000 ] - [ -0.0016692500000000, 0.0021316100000000, 0.0007029100000000 ] - [ 0.0003047800000000, 0.0014732300000000, 0.0003298200000000 ] - [ -0.0007331900000000, -0.0008094200000000, -0.0001647100000000 ] - [ 0.0001775900000000, 0.0013927200000000, -0.0000441800000000 ] - [ -0.0012804900000000, -0.0011903700000000, -0.0003900500000000 ] - [ -0.0000011600000000, -0.0016900000000000, 0.0003125500000000 ] - [ -0.0003591800000000, 0.0013960900000000, 0.0001098400000000 ] - [ -0.0002454000000000, -0.0003964700000000, 0.0003866600000000 ] - [ -0.0010226300000000, 0.0008152800000000, -0.0005666700000000 ] - [ -0.0012846600000000, 0.0003852700000000, 0.0000111000000000 ] - [ -0.0023347200000000, 0.0000251400000000, -0.0002678200000000 ] - [ 0.0036075800000000, 0.0014816500000000, 0.0035876900000000 ] - [ 0.0007671800000000, 0.0008429400000000, -0.0000509600000000 ] - [ 0.0004749100000000, -0.0009456600000000, -0.0000648200000000 ] - [ -0.0098304700000000, 0.0024273600000000, 0.0029810900000000 ] - [ -0.0018419200000000, -0.0021645000000000, -0.0001307500000000 ] - [ -0.0007634500000000, -0.0005394600000000, -0.0000962500000000 ] - [ 0.0000493700000000, -0.0018330200000000, -0.0006870800000000 ] - [ 0.0063044100000000, 0.0007811800000000, -0.0063400800000000 ] - [ -0.0008630500000000, -0.0006230800000000, 0.0014445500000000 ] - [ -0.0012104800000000, -0.0004901500000000, 0.0003542000000000 ] - [ 0.0005441700000000, 0.0013985700000000, 0.0002843600000000 ] - [ -0.0001502200000000, 0.0000553200000000, 0.0001292600000000 ] - [ -0.0015009400000000, -0.0006663200000000, 0.0000126300000000 ] - [ -0.0008840900000000, -0.0003838500000000, -0.0006476500000000 ] - [ -0.0002064100000000, 0.0000355700000000, -0.0005735100000000 ] - [ 0.0005106600000000, 0.0000882300000000, 0.0004873400000000 ] - [ -0.0005262700000000, 0.0004660900000000, 0.0002062700000000 ] - [ -0.0000395000000000, -0.0015422000000000, 0.0001886100000000 ] - [ -0.0019450500000000, 0.0013147900000000, -0.0000647600000000 ] - [ 0.0540320400000000, 0.0482404000000000, -0.0154862600000000 ] - [ -0.0009633200000000, -0.0002218900000000, -0.0006266700000000 ] - [ -0.0017181800000000, -0.0000690400000000, -0.0005667500000000 ] - [ 0.0066994900000000, -0.0014142500000000, 0.0014120600000000 ] - [ -0.0004420400000000, 0.0000972900000000, 0.0001108600000000 ] - [ -0.0005765800000000, -0.0015008400000000, -0.0006116800000000 ] - [ -0.0014640600000000, -0.0022621300000000, -0.0005135400000000 ] - [ 0.0011408400000000, 0.0020695300000000, -0.0007952000000000 ] - [ -0.0098668400000000, -0.0023990300000000, -0.0003388100000000 ] - [ -0.0041717300000000, 0.0026162100000000, 0.0002965200000000 ] - [ 0.0026774600000000, -0.0001829000000000, 0.0001781300000000 ] - [ 0.0003894100000000, 0.0002378000000000, 0.0001130800000000 ] - [ 0.0012079400000000, -0.0006554500000000, 0.0000287800000000 ] - [ -0.1617103000000000, -0.1451219600000000, -0.0175454800000000 ] - [ -0.0002806500000000, -0.0005355300000000, -0.0000570900000000 ] - [ 0.0001111100000000, -0.0005167400000000, -0.0001239600000000 ] - [ 0.0001245200000000, 0.0007971600000000, 0.0000501100000000 ] - [ 0.0001295100000000, 0.0013838200000000, -0.0003456700000000 ] - [ -0.0004706700000000, 0.0007500600000000, -0.0001010100000000 ] - [ -0.0012327400000000, 0.0004927200000000, 0.0001675400000000 ] - [ -0.0002820900000000, -0.0000215000000000, 0.0000977400000000 ] - [ -0.0039382000000000, 0.0066396100000000, -0.0004233600000000 ] - [ 0.0002934500000000, 0.0001954000000000, -0.0001567000000000 ] - [ -0.0000493100000000, 0.0001867000000000, -0.0000301500000000 ] - [ 0.0000486100000000, 0.0004301100000000, 0.0000430000000000 ] - [ 0.0015553400000000, 0.0003452900000000, 0.0002703800000000 ] - [ 0.0004440200000000, 0.0001620300000000, 0.0000006800000000 ] - [ -0.0000123200000000, 0.0000383500000000, -0.0000471100000000 ] - [ 0.0005790600000000, 0.0008964900000000, 0.0001013800000000 ] - [ -0.0005070400000000, 0.0000825800000000, 0.0000577200000000 ] - [ 0.0015434300000000, -0.0006738100000000, -0.0000020600000000 ] - [ 0.0006018900000000, 0.0002006900000000, -0.0000018900000000 ] - [ -0.0003206100000000, -0.0004871300000000, 0.0001558600000000 ] - [ 0.0008453800000000, -0.0000919800000000, 0.0007645900000000 ] - [ -0.0001336100000000, -0.0005443300000000, -0.0000928400000000 ] - [ 0.0009437200000000, -0.0000379100000000, 0.0000599500000000 ] - [ -0.0000058300000000, 0.0002303300000000, -0.0001130800000000 ] - [ -0.0008822000000000, 0.0000594400000000, 0.0007439500000000 ] - [ -0.0017733600000000, 0.0004884800000000, -0.0007025700000000 ] - [ 0.0033292100000000, -0.0012530400000000, 0.0004347900000000 ] - [ 0.0001189100000000, 0.0013802000000000, 0.0001938900000000 ] - [ -0.0009637600000000, -0.0004035500000000, 0.0005024100000000 ] - [ -0.0003281000000000, -0.0006712300000000, -0.0000930700000000 ] - [ 0.0000925500000000, 0.0009336900000000, 0.0000727500000000 ] - [ 0.0015338000000000, -0.0005626100000000, 0.0000474700000000 ] - [ -0.0004099800000000, 0.0012594100000000, -0.0003758700000000 ] - [ -0.0003405100000000, 0.0001521700000000, 0.0001373100000000 ] - [ -0.0076315700000000, -0.0091788200000000, 0.0005060400000000 ] - [ -0.0013164200000000, 0.0007909200000000, -0.0005253000000000 ] - [ 0.0007832700000000, 0.0011254100000000, -0.0006761500000000 ] - [ 0.0002991800000000, 0.0019166000000000, 0.0001311600000000 ] - [ -0.0000915500000000, 0.0000894300000000, -0.0000657100000000 ] - [ -0.0027551300000000, -0.0024360500000000, 0.0004267000000000 ] - [ -0.0000090900000000, 0.0011620300000000, 0.0001832800000000 ] - [ 0.0005044900000000, -0.0005883600000000, 0.0001022600000000 ] - [ -0.0001678100000000, 0.0000565100000000, 0.0000832900000000 ] - [ -0.0002294400000000, 0.0002472400000000, -0.0001101000000000 ] - [ 0.0030782500000000, 0.0037605500000000, 0.0010173100000000 ] - [ 0.0001388200000000, 0.0005694800000000, 0.0007277300000000 ] - [ -0.0007763100000000, -0.0006473100000000, -0.0006241300000000 ] - [ 0.0007394600000000, 0.0008163000000000, -0.0003273200000000 ] - [ -0.0001027700000000, 0.0004005400000000, -0.0001022000000000 ] - [ 0.0027213400000000, -0.0000378900000000, -0.0007506900000000 ] - [ 0.0013306100000000, -0.0001298100000000, -0.0018791500000000 ] - [ 0.0008344100000000, 0.0000742500000000, 0.0000072200000000 ] - [ 0.0005228100000000, -0.0004279100000000, -0.0000358200000000 ] - [ 0.0008408300000000, -0.0006720000000000, -0.0001545100000000 ] - [ 0.0010993400000000, 0.0006750600000000, 0.0001801900000000 ] - [ 0.0004691100000000, -0.0004230200000000, 0.0000906700000000 ] - [ 0.0012102600000000, 0.0033591500000000, 0.0122874000000000 ] - [ 0.0008420700000000, 0.0009246200000000, 0.0003884800000000 ] - [ -0.0018739400000000, -0.0002171800000000, 0.0001533500000000 ] - [ -0.0000311000000000, -0.0001180400000000, 0.0000120800000000 ] - [ 0.0009691000000000, 0.0001441400000000, 0.0001324800000000 ] - [ 0.0007933700000000, -0.0008403100000000, -0.0005330700000000 ] - [ -0.0004199400000000, 0.0003491600000000, -0.0000629300000000 ] - [ 0.0039653400000000, -0.0022740200000000, 0.0005084400000000 ] - [ 0.0025010200000000, 0.0007121500000000, -0.0016234100000000 ] - [ 0.0007581900000000, 0.0005634000000000, 0.0001677000000000 ] - [ 0.0007887100000000, -0.0006141300000000, 0.0003644300000000 ] - [ 0.0000979600000000, 0.0004526000000000, 0.0000238900000000 ] - [ -0.0004248200000000, -0.0007149900000000, 0.0000902000000000 ] - [ 0.0000001600000000, -0.0001283300000000, -0.0001392700000000 ] - [ 0.0006425800000000, -0.0002672500000000, -0.0002601000000000 ] - [ 0.0007838800000000, 0.0000989000000000, 0.0001374000000000 ] - [ 0.0000685700000000, 0.0000822000000000, 0.0000668500000000 ] - [ -0.0007685000000000, -0.0003704000000000, 0.0000343200000000 ] - [ 0.0000093400000000, -0.0014175700000000, -0.0000327200000000 ] - [ -0.0071396300000000, 0.0047019800000000, -0.0084937100000000 ] - [ -0.0000134700000000, -0.0015841800000000, -0.0001859100000000 ] - [ 0.0006799200000000, -0.0004737000000000, -0.0002590000000000 ] - [ 0.0007055200000000, 0.0006403600000000, -0.0000593900000000 ] - [ 0.0002395100000000, -0.0008383500000000, 0.0000152400000000 ] - [ -0.0029513200000000, 0.0009927000000000, 0.0011762600000000 ] - [ 0.0001175900000000, -0.0003439500000000, -0.0000999700000000 ] - [ 0.0012243700000000, 0.0007798900000000, -0.0000514900000000 ] - [ 0.0213772900000000, 0.0073712400000000, -0.0030898100000000 ] - [ -0.0001181100000000, 0.0001121400000000, -0.0000739900000000 ] - [ -0.0018972600000000, -0.0017043200000000, 0.0002594900000000 ] - [ -0.0002290900000000, -0.0004911200000000, -0.0000654300000000 ] - [ -0.0011409500000000, -0.0006956200000000, 0.0000632200000000 ] - [ 0.0005732500000000, 0.0000960000000000, -0.0003547700000000 ] - [ 0.0004612900000000, 0.0002613100000000, 0.0006851500000000 ] - [ 0.0031308000000000, 0.0010138000000000, -0.0000857900000000 ] - [ 0.0008124500000000, 0.0003995600000000, -0.0002721000000000 ] - [ 0.0162560400000000, 0.0231097100000000, -0.0021805900000000 ] - [ -0.0002952500000000, -0.0013460500000000, 0.0000436100000000 ]- atom: 75 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0001581600000000, 0.0004840600000000, 0.0000831800000000 ] - [ -0.0001530500000000, -0.0001948600000000, 0.0000357800000000 ] - [ -0.0002086900000000, -0.0001063800000000, 0.0002248000000000 ] - [ -0.0009999700000000, 0.0014688500000000, 0.0012631700000000 ] - [ 0.0000645700000000, 0.0002392000000000, -0.0000071200000000 ] - [ 0.0004536700000000, -0.0002764900000000, 0.0002632200000000 ] - [ 0.0008851300000000, 0.0000821400000000, 0.0002497100000000 ] - [ 0.0002014800000000, 0.0004109100000000, 0.0001355900000000 ] - [ 0.0000629900000000, 0.0012006200000000, 0.0004950400000000 ] - [ 0.0001916500000000, 0.0003165300000000, 0.0002359400000000 ] - [ 0.0004866800000000, -0.0001054900000000, 0.0000555900000000 ] - [ -0.0001606200000000, 0.0013005400000000, -0.0004889500000000 ] - [ -0.0001316000000000, -0.0001273600000000, 0.0000873600000000 ] - [ 0.0008799200000000, 0.0000107800000000, -0.0000003500000000 ] - [ 0.0003625900000000, -0.0016773500000000, 0.0013435200000000 ] - [ 0.0002576500000000, -0.0000696500000000, 0.0002191200000000 ] - [ -0.0003386000000000, -0.0021716500000000, -0.0018652900000000 ] - [ 0.0008983900000000, -0.0000061500000000, 0.0003280000000000 ] - [ 0.0002514100000000, -0.0025150400000000, -0.0025845000000000 ] - [ -0.0041661800000000, -0.0005922300000000, -0.0009614800000000 ] - [ -0.0000650600000000, -0.0001415200000000, -0.0000059300000000 ] - [ 0.0008838400000000, 0.0000365700000000, -0.0001581700000000 ] - [ 0.0003286600000000, -0.0004911400000000, -0.0000321700000000 ] - [ -0.0005088100000000, 0.0012528000000000, -0.0005645700000000 ] - [ -0.0017332800000000, -0.0002024000000000, -0.0000804700000000 ] - [ -0.0849244600000000, -0.0534608300000000, -0.0270228300000000 ] - [ 0.0009259500000000, -0.0003529100000000, -0.0000540400000000 ] - [ 0.0017477400000000, 0.0002313900000000, -0.0018373700000000 ] - [ 0.0009232300000000, -0.0000304700000000, 0.0004316200000000 ] - [ -0.0006505200000000, -0.0004165200000000, 0.0000548800000000 ] - [ -0.0012935500000000, -0.0014301300000000, 0.0012808400000000 ] - [ 0.0016867800000000, -0.0021523100000000, 0.0001033000000000 ] - [ -0.0003500900000000, -0.0014718200000000, 0.0004745700000000 ] - [ -0.0003141200000000, 0.0015732700000000, -0.0003328700000000 ] - [ 0.0001522200000000, 0.0002682300000000, -0.0000641400000000 ] - [ 0.0008505700000000, 0.0011169100000000, 0.0003485900000000 ] - [ 0.0000093100000000, 0.0017301600000000, 0.0004870300000000 ] - [ -0.0009241000000000, -0.0002806700000000, -0.0002204600000000 ] - [ 0.0002325200000000, 0.0003522900000000, 0.0004131300000000 ] - [ 0.0012941700000000, -0.0011570500000000, 0.0005209000000000 ] - [ 0.0014493800000000, 0.0000317100000000, -0.0000490500000000 ] - [ 0.0011560300000000, -0.0005481500000000, -0.0002312500000000 ] - [ -0.0035525600000000, -0.0014662600000000, -0.0027113500000000 ] - [ 0.0008458600000000, -0.0002919500000000, -0.0000527500000000 ] - [ -0.0000477100000000, 0.0010158900000000, 0.0000214000000000 ] - [ 0.0099795500000000, -0.0011282400000000, -0.0034880000000000 ] - [ 0.0016674700000000, 0.0017378100000000, 0.0000904500000000 ] - [ 0.0018085000000000, -0.0002284300000000, -0.0004017100000000 ] - [ 0.0002097000000000, 0.0007943100000000, -0.0004488100000000 ] - [ -0.0046311400000000, -0.0003882600000000, 0.0070052900000000 ] - [ 0.0006369600000000, 0.0012579200000000, -0.0027215800000000 ] - [ 0.0023652600000000, -0.0007488300000000, 0.0003163000000000 ] - [ 0.0001504500000000, -0.0019297200000000, 0.0000773800000000 ] - [ 0.0000133800000000, -0.0008886200000000, 0.0002234200000000 ] - [ 0.0003398800000000, 0.0019030100000000, 0.0006557400000000 ] - [ 0.0015925300000000, 0.0002548000000000, -0.0006197600000000 ] - [ -0.0000562200000000, 0.0009974800000000, -0.0005633300000000 ] - [ -0.0003761000000000, 0.0007225600000000, -0.0001421500000000 ] - [ -0.0002411700000000, -0.0007780300000000, 0.0001444000000000 ] - [ -0.0004646700000000, -0.0000759800000000, 0.0004829300000000 ] - [ 0.0008914900000000, -0.0010207200000000, -0.0010709800000000 ] - [ -0.0542320500000000, -0.0491459700000000, 0.0143834900000000 ] - [ 0.0020107500000000, -0.0000674800000000, -0.0005126600000000 ] - [ 0.0012941600000000, -0.0004887600000000, -0.0007052600000000 ] - [ -0.0064971500000000, 0.0007849200000000, -0.0026886400000000 ] - [ -0.0002297300000000, 0.0004379200000000, 0.0002513000000000 ] - [ -0.0001335400000000, 0.0016233100000000, -0.0006552100000000 ] - [ 0.0019683000000000, 0.0038812100000000, 0.0011864600000000 ] - [ -0.0003916800000000, -0.0013073100000000, -0.0003407100000000 ] - [ 0.0102277700000000, 0.0029460100000000, -0.0009331200000000 ] - [ 0.0025216700000000, -0.0029871700000000, 0.0003786900000000 ] - [ -0.0018956400000000, 0.0004769100000000, 0.0001842500000000 ] - [ 0.0002220400000000, 0.0000687200000000, 0.0000603000000000 ] - [ -0.0004865300000000, 0.0010039700000000, 0.0002241900000000 ] - [ 0.1589945600000000, 0.1418406000000000, 0.0163291900000000 ] - [ -0.0005094100000000, 0.0009769300000000, 0.0001255600000000 ] - [ 0.0000431900000000, 0.0003663900000000, 0.0000806400000000 ] - [ 0.0000653800000000, -0.0005141900000000, -0.0001686300000000 ] - [ -0.0000628600000000, -0.0008897200000000, 0.0000075900000000 ] - [ -0.0006255000000000, -0.0007920400000000, 0.0001051500000000 ] - [ 0.0005377500000000, -0.0002483300000000, -0.0002228500000000 ] - [ -0.0002887800000000, 0.0004009000000000, 0.0000724900000000 ] - [ 0.0045325300000000, -0.0075905000000000, 0.0004611400000000 ] - [ -0.0016853700000000, 0.0007006000000000, -0.0005512100000000 ] - [ 0.0006216700000000, -0.0005582300000000, 0.0002040100000000 ] - [ -0.0000721700000000, 0.0004779800000000, 0.0000258100000000 ] - [ -0.0004571200000000, -0.0002982700000000, -0.0002645400000000 ] - [ -0.0005967700000000, 0.0001434800000000, -0.0001202600000000 ] - [ -0.0001752600000000, -0.0003188400000000, -0.0000724400000000 ] - [ -0.0004897200000000, -0.0005155100000000, -0.0005331300000000 ] - [ 0.0005629500000000, 0.0001354600000000, -0.0001031200000000 ] - [ -0.0013199500000000, 0.0001679400000000, 0.0001020400000000 ] - [ -0.0000589300000000, -0.0000128100000000, -0.0001264600000000 ] - [ 0.0005108700000000, 0.0005491800000000, -0.0001973800000000 ] - [ -0.0006944500000000, 0.0001137400000000, 0.0008487100000000 ] - [ 0.0000777900000000, 0.0003354600000000, 0.0000514100000000 ] - [ -0.0013252400000000, 0.0003332600000000, -0.0003903200000000 ] - [ 0.0004467800000000, -0.0006081100000000, -0.0000119900000000 ] - [ -0.0005924200000000, -0.0008151200000000, -0.0014519600000000 ] - [ 0.0016523400000000, -0.0010405200000000, 0.0005577500000000 ] - [ -0.0034178100000000, 0.0019574300000000, -0.0004622300000000 ] - [ 0.0000892800000000, -0.0005023600000000, 0.0000635400000000 ] - [ 0.0009113700000000, -0.0002684400000000, -0.0003495900000000 ] - [ -0.0002877300000000, 0.0003657000000000, 0.0002683300000000 ] - [ -0.0006588000000000, -0.0014160400000000, -0.0001117500000000 ] - [ -0.0008730400000000, -0.0000523100000000, 0.0002059100000000 ] - [ 0.0004950800000000, 0.0003924800000000, -0.0003316700000000 ] - [ 0.0000239300000000, -0.0006036400000000, -0.0000397000000000 ] - [ 0.0067764700000000, 0.0088709500000000, -0.0004649400000000 ] - [ 0.0008629200000000, -0.0009782600000000, 0.0001887400000000 ] - [ -0.0003231200000000, -0.0009355200000000, 0.0003392300000000 ] - [ 0.0000189300000000, -0.0014643400000000, -0.0000341500000000 ] - [ 0.0001182500000000, -0.0009931800000000, 0.0001332900000000 ] - [ 0.0032897600000000, 0.0023623100000000, -0.0003293500000000 ] - [ -0.0006527600000000, -0.0007261600000000, 0.0000657500000000 ] - [ -0.0012224400000000, 0.0002357300000000, 0.0001508800000000 ] - [ -0.0000382300000000, -0.0009297100000000, 0.0001732000000000 ] - [ 0.0000697600000000, -0.0000858300000000, 0.0000675700000000 ] - [ -0.0025279700000000, -0.0027486200000000, -0.0009982400000000 ] - [ -0.0000374700000000, -0.0006924000000000, 0.0008905400000000 ] - [ 0.0011108700000000, 0.0005797700000000, 0.0003552100000000 ] - [ -0.0008082800000000, -0.0009267300000000, 0.0003423100000000 ] - [ 0.0000092500000000, -0.0000988700000000, -0.0001788800000000 ] - [ -0.0012546900000000, 0.0007901300000000, 0.0000455000000000 ] - [ -0.0013816100000000, -0.0000185800000000, 0.0034968500000000 ] - [ -0.0000440700000000, -0.0005163400000000, 0.0000617100000000 ] - [ -0.0010504100000000, -0.0005595300000000, 0.0000446400000000 ] - [ -0.0007226700000000, -0.0000471500000000, 0.0001211400000000 ] - [ -0.0017526900000000, -0.0000606900000000, 0.0000737900000000 ] - [ 0.0003171400000000, 0.0008815400000000, -0.0000189700000000 ] - [ -0.0009292200000000, -0.0035990700000000, -0.0126382900000000 ] - [ -0.0004694900000000, -0.0008094100000000, -0.0008239200000000 ] - [ 0.0019306100000000, 0.0003592200000000, 0.0014559800000000 ] - [ -0.0001864600000000, 0.0000665500000000, -0.0000566200000000 ] - [ -0.0008981300000000, -0.0000309500000000, -0.0001160300000000 ] - [ -0.0006380700000000, 0.0005305100000000, 0.0004084600000000 ] - [ 0.0000489700000000, -0.0004630000000000, -0.0003706800000000 ] - [ -0.0038984700000000, 0.0021410100000000, -0.0004925800000000 ] - [ -0.0026291700000000, -0.0007289800000000, 0.0032100400000000 ] - [ -0.0009775600000000, -0.0000593300000000, -0.0000674700000000 ] - [ -0.0010776200000000, 0.0008789400000000, -0.0008040900000000 ] - [ 0.0000372000000000, -0.0004558400000000, -0.0000068300000000 ] - [ 0.0000845700000000, 0.0007341000000000, -0.0002136300000000 ] - [ -0.0003472200000000, 0.0001971500000000, -0.0001246500000000 ] - [ -0.0007296200000000, -0.0001110800000000, -0.0001774000000000 ] - [ -0.0001176600000000, -0.0005308900000000, 0.0001123200000000 ] - [ -0.0000275300000000, 0.0006013000000000, 0.0001033600000000 ] - [ 0.0009920800000000, 0.0006506400000000, -0.0003014000000000 ] - [ -0.0005608800000000, 0.0014706500000000, 0.0001299200000000 ] - [ 0.0075594200000000, -0.0046491500000000, 0.0082478500000000 ] - [ -0.0005346600000000, 0.0013889500000000, 0.0000583900000000 ] - [ -0.0007452700000000, -0.0000142600000000, -0.0000773700000000 ] - [ -0.0001361500000000, -0.0001520600000000, 0.0000194100000000 ] - [ -0.0001512900000000, 0.0005425000000000, -0.0002979800000000 ] - [ 0.0028724300000000, -0.0008677500000000, -0.0011554400000000 ] - [ -0.0000056900000000, 0.0009101500000000, -0.0000320000000000 ] - [ -0.0013581300000000, -0.0007764000000000, 0.0000677300000000 ] - [ -0.0206802500000000, -0.0075454800000000, 0.0027005000000000 ] - [ -0.0003176800000000, 0.0002719400000000, -0.0000515900000000 ] - [ 0.0026098200000000, 0.0014544900000000, -0.0003026300000000 ] - [ 0.0000127700000000, 0.0002408100000000, -0.0002042000000000 ] - [ 0.0011148200000000, -0.0001021200000000, 0.0001881400000000 ] - [ -0.0011933500000000, 0.0008757000000000, 0.0003805800000000 ] - [ -0.0005615900000000, -0.0001355200000000, 0.0009336200000000 ] - [ -0.0032212700000000, -0.0026657600000000, -0.0006194100000000 ] - [ 0.0005767800000000, -0.0012959000000000, -0.0004343100000000 ] - [ -0.0163932400000000, -0.0226477100000000, 0.0024112700000000 ] - [ -0.0005667400000000, 0.0010816400000000, 0.0002112000000000 ]- atom: 75 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0003169700000000, -0.0003606600000000, 0.0001079400000000 ] - [ 0.0003996100000000, -0.0007493400000000, -0.0001097600000000 ] - [ 0.0004720000000000, -0.0007571300000000, 0.0000040500000000 ] - [ -0.0014907700000000, -0.0006534100000000, -0.0007923300000000 ] - [ -0.0003639400000000, -0.0004570400000000, -0.0000053900000000 ] - [ 0.0004736200000000, -0.0001969500000000, 0.0002595600000000 ] - [ 0.0000259300000000, 0.0003545600000000, 0.0000559500000000 ] - [ -0.0002067900000000, -0.0003960700000000, 0.0001247700000000 ] - [ -0.0011757500000000, -0.0002483100000000, -0.0006559900000000 ] - [ -0.0002235500000000, -0.0004878600000000, 0.0002803300000000 ] - [ 0.0004929300000000, -0.0000072900000000, 0.0000768400000000 ] - [ -0.0013003600000000, -0.0001811500000000, 0.0006352200000000 ] - [ 0.0004583400000000, -0.0007912500000000, 0.0002188200000000 ] - [ 0.0000273000000000, 0.0001352200000000, 0.0001138400000000 ] - [ 0.0012689300000000, 0.0010059000000000, 0.0012811800000000 ] - [ 0.0002893800000000, -0.0001011300000000, 0.0002186600000000 ] - [ 0.0021699100000000, 0.0004791800000000, -0.0028222900000000 ] - [ 0.0000799500000000, 0.0002201900000000, 0.0001114100000000 ] - [ 0.0021561900000000, 0.0012334000000000, -0.0027241700000000 ] - [ -0.0013586700000000, 0.0035371400000000, -0.0006516700000000 ] - [ 0.0005573800000000, -0.0008828500000000, 0.0002119800000000 ] - [ -0.0000630100000000, 0.0002657100000000, 0.0000393300000000 ] - [ 0.0004824300000000, -0.0003706500000000, -0.0000219300000000 ] - [ -0.0011871300000000, -0.0005163200000000, 0.0004985400000000 ] - [ -0.0004220800000000, -0.0016060400000000, 0.0020930800000000 ] - [ 0.0046245100000000, 0.0327340300000000, 0.0064317600000000 ] - [ 0.0011783800000000, -0.0018566500000000, 0.0001439700000000 ] - [ -0.0002800100000000, 0.0014118200000000, -0.0004765500000000 ] - [ -0.0001032000000000, -0.0002107300000000, 0.0004012800000000 ] - [ -0.0007256800000000, -0.0021782600000000, -0.0003818900000000 ] - [ 0.0036346600000000, -0.0091157200000000, 0.0048053200000000 ] - [ 0.0010574200000000, 0.0010756800000000, 0.0003541600000000 ] - [ 0.0035208400000000, -0.0013852100000000, 0.0009898900000000 ] - [ -0.0015271000000000, -0.0002482700000000, -0.0002088600000000 ] - [ 0.0009914400000000, -0.0005086500000000, -0.0000757700000000 ] - [ -0.0008566300000000, -0.0000445200000000, -0.0002200300000000 ] - [ -0.0011865100000000, -0.0007983800000000, 0.0003297500000000 ] - [ 0.0008494100000000, 0.0000008300000000, -0.0004642700000000 ] - [ 0.0003216100000000, -0.0010281200000000, 0.0003657600000000 ] - [ 0.0012021100000000, 0.0010532600000000, 0.0002755400000000 ] - [ 0.0005014200000000, 0.0003828700000000, -0.0000480400000000 ] - [ 0.0000405400000000, -0.0000985500000000, -0.0002458100000000 ] - [ -0.0001271900000000, 0.0032944700000000, 0.0059721800000000 ] - [ 0.0016371900000000, -0.0009436400000000, -0.0000133000000000 ] - [ -0.0011168600000000, -0.0026480500000000, -0.0006935300000000 ] - [ -0.0031495000000000, 0.0053515700000000, 0.0001777700000000 ] - [ -0.0006457000000000, -0.0001817600000000, 0.0000062500000000 ] - [ 0.0001374500000000, -0.0006043000000000, -0.0001635400000000 ] - [ -0.0009864100000000, -0.0013695300000000, -0.0006583900000000 ] - [ -0.0001209100000000, 0.0039252500000000, -0.0015226000000000 ] - [ -0.0014817500000000, 0.0018243600000000, -0.0003161800000000 ] - [ 0.0010952700000000, -0.0002718100000000, 0.0002763500000000 ] - [ 0.0036857300000000, -0.0005371100000000, -0.0000686000000000 ] - [ 0.0008616100000000, -0.0016906800000000, 0.0002492600000000 ] - [ -0.0012569300000000, 0.0008052800000000, 0.0003252400000000 ] - [ 0.0001435800000000, -0.0004735100000000, -0.0006343300000000 ] - [ 0.0004252400000000, -0.0006332500000000, -0.0006202900000000 ] - [ -0.0007786400000000, -0.0029680400000000, -0.0010512700000000 ] - [ 0.0009733500000000, -0.0017679200000000, 0.0002079300000000 ] - [ -0.0008307400000000, -0.0024912800000000, -0.0000565800000000 ] - [ 0.0000440600000000, 0.0009196700000000, -0.0008145700000000 ] - [ 0.0126368300000000, 0.1517909800000000, -0.0407990200000000 ] - [ 0.0005035600000000, -0.0006124000000000, -0.0005572400000000 ] - [ 0.0003779000000000, 0.0000446500000000, -0.0006867000000000 ] - [ 0.0047405400000000, -0.0087072900000000, 0.0036739700000000 ] - [ 0.0002758100000000, -0.0006928800000000, 0.0001818100000000 ] - [ -0.0019250300000000, -0.0010308100000000, -0.0003704000000000 ] - [ -0.0008592600000000, 0.0006118600000000, 0.0002232700000000 ] - [ 0.0019707600000000, -0.0003600100000000, 0.0000884400000000 ] - [ 0.0003337200000000, 0.0013208500000000, -0.0003294800000000 ] - [ 0.0007243500000000, 0.0005874300000000, 0.0004151700000000 ] - [ 0.0006063200000000, -0.0011612100000000, 0.0019569500000000 ] - [ 0.0001481700000000, 0.0006529100000000, -0.0000052200000000 ] - [ 0.0003526000000000, -0.0007082700000000, 0.0000967900000000 ] - [ -0.0421559200000000, -0.2209773200000000, 0.0485891000000000 ] - [ -0.0010067600000000, -0.0001451200000000, 0.0000759100000000 ] - [ -0.0007747200000000, 0.0008761600000000, 0.0001690400000000 ] - [ 0.0006027800000000, 0.0005225600000000, 0.0000370400000000 ] - [ 0.0005741400000000, 0.0003890800000000, -0.0001785800000000 ] - [ 0.0008470100000000, 0.0008906100000000, -0.0002499200000000 ] - [ 0.0011680500000000, -0.0018254000000000, -0.0016005100000000 ] - [ -0.0007037000000000, 0.0008192900000000, 0.0000942000000000 ] - [ 0.0061099100000000, 0.0139737800000000, 0.0002932800000000 ] - [ -0.0007550000000000, 0.0004053000000000, -0.0003772400000000 ] - [ 0.0005937700000000, 0.0008184200000000, 0.0006545300000000 ] - [ -0.0005533000000000, 0.0010679200000000, 0.0001406800000000 ] - [ 0.0008885200000000, 0.0000345000000000, 0.0000878200000000 ] - [ -0.0000657300000000, 0.0003015200000000, -0.0000644100000000 ] - [ -0.0002804800000000, 0.0003332700000000, -0.0000005100000000 ] - [ 0.0003974200000000, 0.0002200400000000, -0.0002101500000000 ] - [ 0.0003158200000000, 0.0013411400000000, -0.0004762100000000 ] - [ -0.0004887700000000, -0.0004593100000000, 0.0000637800000000 ] - [ 0.0001684100000000, 0.0006095500000000, -0.0001481200000000 ] - [ -0.0033114500000000, 0.0018131100000000, 0.0003623500000000 ] - [ -0.0001540500000000, -0.0001055800000000, 0.0008187100000000 ] - [ -0.0003814900000000, 0.0009509500000000, 0.0000663300000000 ] - [ -0.0008059800000000, -0.0001251000000000, -0.0002836500000000 ] - [ 0.0013451600000000, 0.0007453700000000, -0.0000072000000000 ] - [ 0.0001443300000000, -0.0012014300000000, 0.0000196700000000 ] - [ -0.0000709000000000, -0.0001264600000000, -0.0008038700000000 ] - [ 0.0001441100000000, -0.0005354500000000, 0.0000617000000000 ] - [ 0.0005172600000000, 0.0006353500000000, 0.0001850000000000 ] - [ -0.0009921800000000, 0.0009438200000000, -0.0027774200000000 ] - [ -0.0012259500000000, 0.0000847200000000, 0.0005684000000000 ] - [ 0.0005585700000000, 0.0006938400000000, -0.0000014900000000 ] - [ -0.0001044100000000, -0.0005344800000000, 0.0002272700000000 ] - [ 0.0006550900000000, 0.0019422500000000, -0.0009280400000000 ] - [ -0.0003611400000000, 0.0007667100000000, 0.0001187600000000 ] - [ -0.0045122400000000, 0.0319210300000000, -0.0036346900000000 ] - [ -0.0002817800000000, 0.0036393700000000, -0.0004196800000000 ] - [ 0.0007101900000000, -0.0004872500000000, -0.0002160500000000 ] - [ 0.0008616500000000, 0.0004851700000000, 0.0001738400000000 ] - [ 0.0008123000000000, 0.0000994300000000, -0.0000351700000000 ] - [ -0.0002964600000000, -0.0033539600000000, -0.0001433200000000 ] - [ 0.0003295800000000, 0.0009692100000000, 0.0001549700000000 ] - [ -0.0006111700000000, -0.0000329200000000, 0.0001625500000000 ] - [ -0.0002270600000000, 0.0008299400000000, 0.0001850700000000 ] - [ -0.0006003700000000, 0.0017232700000000, -0.0000720500000000 ] - [ 0.0005901000000000, -0.0003607900000000, -0.0003505800000000 ] - [ 0.0005751200000000, 0.0003789500000000, 0.0007062000000000 ] - [ -0.0009088800000000, 0.0003134600000000, -0.0003384700000000 ] - [ 0.0002331600000000, -0.0003488700000000, 0.0000839500000000 ] - [ -0.0002637900000000, 0.0010648200000000, 0.0000980000000000 ] - [ -0.0000804700000000, 0.0000191000000000, -0.0000999100000000 ] - [ 0.0006940000000000, -0.0016898200000000, 0.0005567600000000 ] - [ 0.0004242100000000, 0.0003294600000000, 0.0000311600000000 ] - [ -0.0005217800000000, -0.0008100700000000, 0.0000818000000000 ] - [ -0.0000964700000000, -0.0003328000000000, -0.0000123700000000 ] - [ -0.0001396500000000, 0.0003370700000000, 0.0000983400000000 ] - [ -0.0004999500000000, 0.0011625200000000, -0.0001296300000000 ] - [ 0.0036310100000000, -0.0043766700000000, 0.0020304900000000 ] - [ 0.0007677200000000, 0.0000609000000000, -0.0000475200000000 ] - [ -0.0003665600000000, 0.0019906600000000, -0.0023981100000000 ] - [ -0.0007035900000000, 0.0005232300000000, -0.0001720000000000 ] - [ -0.0002655800000000, -0.0002856500000000, -0.0000534600000000 ] - [ -0.0003457800000000, -0.0005394000000000, 0.0001190100000000 ] - [ 0.0000926100000000, 0.0009041300000000, 0.0003908400000000 ] - [ -0.0009009900000000, -0.0021140500000000, 0.0004225900000000 ] - [ -0.0000264300000000, -0.0005360900000000, 0.0010504300000000 ] - [ 0.0001938000000000, 0.0003422000000000, 0.0001153000000000 ] - [ -0.0006879400000000, -0.0002122800000000, -0.0004201200000000 ] - [ 0.0008893400000000, 0.0005780600000000, 0.0002023900000000 ] - [ -0.0012368000000000, 0.0005123200000000, -0.0007699400000000 ] - [ -0.0009949600000000, 0.0006011900000000, 0.0000017600000000 ] - [ -0.0002372800000000, -0.0002701300000000, -0.0001869100000000 ] - [ 0.0003770300000000, 0.0003407300000000, 0.0000489200000000 ] - [ -0.0004770700000000, 0.0009519300000000, 0.0000361500000000 ] - [ 0.0013618800000000, 0.0047438200000000, -0.0001399800000000 ] - [ -0.0015944800000000, -0.0004637800000000, -0.0000606100000000 ] - [ 0.0064879600000000, 0.0015384200000000, -0.0136350200000000 ] - [ -0.0016806800000000, -0.0005367200000000, -0.0000212000000000 ] - [ -0.0001437600000000, -0.0001693800000000, -0.0001718300000000 ] - [ 0.0004068800000000, 0.0007128800000000, -0.0000300500000000 ] - [ -0.0012062400000000, 0.0008280600000000, -0.0005126100000000 ] - [ 0.0012750500000000, -0.0012816100000000, 0.0001032900000000 ] - [ -0.0013901300000000, 0.0017747300000000, -0.0001669200000000 ] - [ 0.0005563100000000, 0.0002133300000000, -0.0000438200000000 ] - [ -0.0005629400000000, -0.0057317500000000, -0.0000225200000000 ] - [ -0.0007406700000000, 0.0006159600000000, -0.0000644500000000 ] - [ -0.0027905000000000, 0.0026699100000000, -0.0003661200000000 ] - [ -0.0004063700000000, 0.0006994800000000, -0.0003184500000000 ] - [ -0.0008198600000000, 0.0000931300000000, -0.0001367500000000 ] - [ 0.0000211600000000, -0.0005805600000000, -0.0004279700000000 ] - [ 0.0000747800000000, 0.0002103100000000, 0.0007799600000000 ] - [ 0.0011146600000000, -0.0011374000000000, -0.0003700700000000 ] - [ 0.0012729700000000, -0.0003816500000000, -0.0004470800000000 ] - [ 0.0106911200000000, -0.0018399500000000, -0.0009925100000000 ] - [ -0.0015475800000000, -0.0003770700000000, 0.0002536600000000 ]- atom: 75 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0002640000000000, 0.0003924200000000, 0.0001179000000000 ] - [ -0.0004011300000000, 0.0007496400000000, 0.0002324600000000 ] - [ -0.0003550100000000, 0.0009105600000000, 0.0004538600000000 ] - [ 0.0013850600000000, 0.0004978800000000, 0.0012536700000000 ] - [ 0.0000669700000000, 0.0002618800000000, 0.0000397700000000 ] - [ -0.0002794200000000, 0.0001747200000000, 0.0001999100000000 ] - [ -0.0000250300000000, -0.0003528600000000, 0.0000550300000000 ] - [ 0.0002593600000000, 0.0003636400000000, 0.0001010900000000 ] - [ 0.0011733300000000, 0.0002556000000000, 0.0007683800000000 ] - [ 0.0003008800000000, 0.0003140000000000, 0.0001787000000000 ] - [ -0.0001958200000000, 0.0002035500000000, -0.0000430500000000 ] - [ 0.0012979200000000, 0.0001883800000000, -0.0005750400000000 ] - [ -0.0004584900000000, 0.0007933100000000, -0.0000999700000000 ] - [ -0.0000778100000000, -0.0001644400000000, 0.0001111300000000 ] - [ -0.0014624900000000, -0.0009971900000000, -0.0008269200000000 ] - [ -0.0003655200000000, 0.0002755500000000, 0.0002411000000000 ] - [ -0.0021777700000000, -0.0005285800000000, 0.0030430900000000 ] - [ -0.0000232900000000, -0.0001916700000000, 0.0001150100000000 ] - [ -0.0021792800000000, -0.0009028200000000, 0.0027640500000000 ] - [ 0.0012827400000000, -0.0034575100000000, 0.0007829300000000 ] - [ -0.0002364700000000, 0.0007202300000000, -0.0001758900000000 ] - [ 0.0000617900000000, -0.0002659700000000, 0.0000192400000000 ] - [ -0.0004579000000000, 0.0000125400000000, 0.0000561600000000 ] - [ 0.0008677900000000, 0.0006716100000000, -0.0004636700000000 ] - [ 0.0002643900000000, 0.0003307100000000, -0.0025852800000000 ] - [ -0.0049889900000000, -0.0327496300000000, -0.0066051400000000 ] - [ 0.0001178300000000, 0.0007478400000000, -0.0002543000000000 ] - [ 0.0014700300000000, -0.0008911700000000, -0.0000271200000000 ] - [ 0.0000869000000000, 0.0002532600000000, 0.0004018000000000 ] - [ 0.0004021400000000, 0.0005156800000000, 0.0002765900000000 ] - [ -0.0052675800000000, 0.0086023500000000, -0.0049501400000000 ] - [ -0.0010360400000000, -0.0011314000000000, 0.0004492000000000 ] - [ -0.0035561700000000, 0.0013878100000000, -0.0001814200000000 ] - [ 0.0004796900000000, 0.0010207600000000, -0.0002892600000000 ] - [ -0.0006676100000000, 0.0021724300000000, -0.0000328000000000 ] - [ 0.0004307500000000, -0.0000293900000000, 0.0001765000000000 ] - [ 0.0012063900000000, 0.0008385700000000, 0.0004701800000000 ] - [ -0.0021467900000000, 0.0011081500000000, 0.0003571100000000 ] - [ -0.0003380600000000, 0.0009837200000000, 0.0004337600000000 ] - [ -0.0009268900000000, -0.0013946300000000, -0.0003224200000000 ] - [ -0.0003334200000000, 0.0000305800000000, 0.0000094600000000 ] - [ -0.0012157700000000, -0.0004236200000000, -0.0002529700000000 ] - [ 0.0001647600000000, -0.0033058900000000, -0.0051394500000000 ] - [ -0.0000255900000000, 0.0014971200000000, -0.0000897500000000 ] - [ 0.0015384200000000, 0.0027175500000000, 0.0006489400000000 ] - [ 0.0032675300000000, -0.0040440100000000, -0.0006699100000000 ] - [ 0.0004870200000000, -0.0002237900000000, -0.0000447300000000 ] - [ 0.0009069700000000, -0.0001672400000000, -0.0003341100000000 ] - [ 0.0012545700000000, 0.0003352400000000, -0.0004770900000000 ] - [ 0.0017422100000000, -0.0035437300000000, 0.0022539000000000 ] - [ 0.0012717100000000, -0.0011923700000000, -0.0009568000000000 ] - [ 0.0000637500000000, -0.0009710800000000, 0.0003934000000000 ] - [ -0.0030325700000000, -0.0000131500000000, 0.0004339300000000 ] - [ -0.0010045700000000, 0.0008582600000000, 0.0001022700000000 ] - [ 0.0001024800000000, 0.0004437600000000, 0.0003462500000000 ] - [ 0.0005658600000000, 0.0003416800000000, -0.0006324800000000 ] - [ -0.0006926800000000, 0.0016644500000000, -0.0005163700000000 ] - [ 0.0009268800000000, 0.0038130500000000, 0.0014126000000000 ] - [ -0.0017407600000000, 0.0014596400000000, 0.0001432900000000 ] - [ 0.0003224700000000, 0.0008774400000000, 0.0007267800000000 ] - [ -0.0010937500000000, -0.0006437200000000, -0.0003248400000000 ] - [ -0.0161446500000000, -0.1581467300000000, 0.0419965000000000 ] - [ 0.0005545400000000, 0.0003309300000000, -0.0005810300000000 ] - [ -0.0007972700000000, -0.0006022100000000, -0.0005846000000000 ] - [ -0.0045568200000000, 0.0080526300000000, -0.0049432100000000 ] - [ -0.0009465100000000, 0.0012371000000000, 0.0001797500000000 ] - [ 0.0012121000000000, 0.0011635600000000, -0.0008956500000000 ] - [ 0.0013624800000000, 0.0009972800000000, 0.0004459200000000 ] - [ -0.0012239700000000, 0.0011241400000000, -0.0012229100000000 ] - [ 0.0001375100000000, -0.0007483200000000, -0.0009434200000000 ] - [ -0.0023754400000000, -0.0009484900000000, 0.0002599400000000 ] - [ 0.0001733000000000, 0.0014596800000000, -0.0016176500000000 ] - [ 0.0004623700000000, -0.0003511200000000, 0.0001795000000000 ] - [ 0.0003636600000000, 0.0010698100000000, 0.0001580300000000 ] - [ 0.0460302300000000, 0.2276591900000000, -0.0504694400000000 ] - [ 0.0002217400000000, 0.0005981700000000, -0.0000071300000000 ] - [ 0.0009342000000000, -0.0010274500000000, -0.0002123000000000 ] - [ -0.0004174400000000, -0.0002413600000000, -0.0001554200000000 ] - [ -0.0005068600000000, 0.0000928700000000, -0.0001576200000000 ] - [ -0.0019402600000000, -0.0009366700000000, 0.0002553400000000 ] - [ -0.0018743900000000, 0.0020774700000000, 0.0015570600000000 ] - [ 0.0001349600000000, -0.0004405500000000, 0.0000765900000000 ] - [ -0.0053933800000000, -0.0148358500000000, -0.0002424100000000 ] - [ -0.0006384000000000, 0.0004927400000000, -0.0003311700000000 ] - [ -0.0000266600000000, -0.0011996500000000, -0.0004893100000000 ] - [ 0.0005337700000000, -0.0001601800000000, -0.0000721500000000 ] - [ 0.0002085000000000, 0.0000130600000000, -0.0000812900000000 ] - [ -0.0000908100000000, 0.0000008900000000, -0.0000561100000000 ] - [ 0.0000944000000000, -0.0006137000000000, -0.0001180700000000 ] - [ -0.0003125200000000, 0.0001531800000000, -0.0002258700000000 ] - [ -0.0002633100000000, -0.0011324100000000, 0.0004359100000000 ] - [ 0.0007082900000000, -0.0000396900000000, 0.0000363200000000 ] - [ 0.0003713500000000, -0.0004290200000000, 0.0000201700000000 ] - [ 0.0035513600000000, -0.0017715300000000, -0.0004088900000000 ] - [ 0.0003026500000000, 0.0001261300000000, 0.0007939800000000 ] - [ 0.0003277100000000, -0.0011625800000000, -0.0001080600000000 ] - [ 0.0004210600000000, 0.0004194600000000, -0.0000469900000000 ] - [ -0.0009193900000000, -0.0011330300000000, -0.0001186300000000 ] - [ -0.0016192600000000, 0.0004418500000000, -0.0007413500000000 ] - [ -0.0000496400000000, -0.0004237500000000, 0.0006650000000000 ] - [ -0.0002744100000000, 0.0012650700000000, -0.0000955500000000 ] - [ -0.0003127400000000, 0.0002424300000000, 0.0000722500000000 ] - [ 0.0009533600000000, -0.0016275000000000, 0.0029729900000000 ] - [ 0.0006192500000000, -0.0003865100000000, -0.0003985400000000 ] - [ -0.0011280700000000, -0.0011812300000000, -0.0000375000000000 ] - [ 0.0007618000000000, -0.0000762100000000, 0.0000260700000000 ] - [ -0.0005659700000000, -0.0002953300000000, 0.0002209400000000 ] - [ 0.0000465600000000, -0.0012204000000000, -0.0000208500000000 ] - [ 0.0037948500000000, -0.0330345500000000, 0.0037157700000000 ] - [ -0.0001688300000000, -0.0038233400000000, 0.0000828600000000 ] - [ -0.0002554400000000, 0.0006770100000000, -0.0001206000000000 ] - [ -0.0005478600000000, -0.0000283200000000, -0.0000771800000000 ] - [ -0.0007932700000000, -0.0010067700000000, 0.0001025900000000 ] - [ 0.0008531800000000, 0.0033096800000000, 0.0002343400000000 ] - [ -0.0009952000000000, -0.0005398700000000, 0.0000935100000000 ] - [ -0.0001100500000000, -0.0003220800000000, 0.0000904700000000 ] - [ 0.0000238300000000, -0.0017043100000000, 0.0000710700000000 ] - [ 0.0004432500000000, -0.0015782800000000, 0.0000289300000000 ] - [ -0.0000721300000000, 0.0013310900000000, 0.0003564900000000 ] - [ -0.0004739500000000, -0.0005063800000000, 0.0009119100000000 ] - [ 0.0012554800000000, -0.0003775900000000, 0.0000743700000000 ] - [ -0.0003082500000000, 0.0002299200000000, -0.0000650800000000 ] - [ 0.0001696500000000, -0.0007706900000000, -0.0003805400000000 ] - [ 0.0015454800000000, 0.0007309600000000, -0.0006048000000000 ] - [ -0.0007504500000000, 0.0015411500000000, 0.0010506100000000 ] - [ 0.0003610600000000, -0.0007805900000000, 0.0000376700000000 ] - [ -0.0000081800000000, -0.0001780300000000, -0.0000719000000000 ] - [ 0.0002108800000000, -0.0003875600000000, -0.0000198700000000 ] - [ -0.0005264300000000, 0.0002714800000000, 0.0001548400000000 ] - [ 0.0012868800000000, -0.0007060400000000, 0.0002006900000000 ] - [ -0.0033714500000000, 0.0040721100000000, -0.0025592200000000 ] - [ -0.0003978600000000, 0.0000561700000000, -0.0003848100000000 ] - [ 0.0004306600000000, -0.0018450600000000, 0.0039957400000000 ] - [ 0.0004863600000000, -0.0005783600000000, 0.0001275800000000 ] - [ 0.0003337200000000, 0.0004004100000000, 0.0000697700000000 ] - [ 0.0004994700000000, 0.0002401800000000, -0.0002397200000000 ] - [ -0.0004612100000000, -0.0010196700000000, -0.0008233200000000 ] - [ 0.0009734800000000, 0.0019766400000000, -0.0004055700000000 ] - [ -0.0001358900000000, 0.0005113000000000, 0.0005713300000000 ] - [ -0.0004199300000000, 0.0001575200000000, -0.0000162800000000 ] - [ 0.0003982300000000, 0.0004746900000000, -0.0000182900000000 ] - [ -0.0007521900000000, -0.0005840300000000, -0.0001846300000000 ] - [ 0.0008958000000000, -0.0004945100000000, 0.0006432300000000 ] - [ 0.0006476200000000, -0.0005356400000000, -0.0002657500000000 ] - [ 0.0001490800000000, -0.0001064500000000, -0.0002497300000000 ] - [ 0.0002907300000000, -0.0007703800000000, 0.0002002300000000 ] - [ 0.0005181600000000, -0.0002702600000000, 0.0001330000000000 ] - [ -0.0011594000000000, -0.0045241900000000, -0.0001223800000000 ] - [ 0.0010392300000000, 0.0005117400000000, 0.0001574900000000 ] - [ -0.0062103100000000, -0.0014864400000000, 0.0135363100000000 ] - [ 0.0011462600000000, 0.0003649800000000, -0.0001051500000000 ] - [ 0.0000768000000000, -0.0003159400000000, -0.0001639800000000 ] - [ 0.0001632200000000, -0.0002243500000000, -0.0000093300000000 ] - [ 0.0013057400000000, -0.0011238600000000, 0.0002320800000000 ] - [ -0.0013303200000000, 0.0013948600000000, -0.0000937700000000 ] - [ 0.0015014200000000, -0.0012092800000000, 0.0000350900000000 ] - [ -0.0006909800000000, -0.0002082500000000, 0.0000609100000000 ] - [ 0.0008513900000000, 0.0054156400000000, -0.0002973000000000 ] - [ 0.0003095000000000, -0.0002307900000000, -0.0000603200000000 ] - [ 0.0035005300000000, -0.0029035700000000, 0.0003214300000000 ] - [ 0.0001918500000000, -0.0009510700000000, 0.0000493500000000 ] - [ 0.0007980600000000, -0.0008927900000000, 0.0003879500000000 ] - [ -0.0006455700000000, 0.0015542400000000, 0.0004547500000000 ] - [ -0.0001750000000000, -0.0000832100000000, 0.0008381300000000 ] - [ -0.0011952300000000, -0.0005111600000000, -0.0003352800000000 ] - [ 0.0001160100000000, -0.0005222800000000, -0.0002597600000000 ] - [ -0.0106757800000000, 0.0027171300000000, 0.0012437100000000 ] - [ 0.0006843300000000, 0.0001111000000000, 0.0000027400000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000198000000000, 0.0000214000000000, 0.0001312200000000 ] - [ -0.0000665200000000, 0.0000456100000000, 0.0000184900000000 ] - [ 0.0000763300000000, 0.0001048900000000, 0.0002628700000000 ] - [ -0.0001597100000000, -0.0007027900000000, -0.0001431100000000 ] - [ -0.0001514600000000, -0.0000619600000000, -0.0000025500000000 ] - [ 0.0000157000000000, 0.0000457900000000, 0.0002154300000000 ] - [ -0.0000563100000000, -0.0000868300000000, -0.0000030900000000 ] - [ 0.0000559600000000, -0.0000143300000000, 0.0000991600000000 ] - [ -0.0001844400000000, -0.0006552800000000, 0.0001956000000000 ] - [ 0.0000336200000000, -0.0000360300000000, 0.0002472900000000 ] - [ 0.0001142900000000, 0.0001058100000000, 0.0000439200000000 ] - [ 0.0002249300000000, 0.0002201400000000, -0.0001422700000000 ] - [ -0.0000842100000000, 0.0001169800000000, 0.0001068300000000 ] - [ -0.0000253300000000, 0.0000083300000000, 0.0000684600000000 ] - [ -0.0012533300000000, 0.0006821200000000, 0.0003177700000000 ] - [ -0.0000445700000000, 0.0000792800000000, 0.0002142800000000 ] - [ 0.0017101800000000, -0.0013766600000000, -0.0003068700000000 ] - [ -0.0000475200000000, 0.0000217600000000, 0.0001903800000000 ] - [ 0.0024562900000000, -0.0017629800000000, -0.0016900800000000 ] - [ 0.0009515800000000, -0.0006045600000000, 0.0024227700000000 ] - [ 0.0001561200000000, 0.0000449200000000, -0.0000039600000000 ] - [ 0.0000675300000000, -0.0000418400000000, 0.0000792100000000 ] - [ -0.0000242200000000, -0.0001489800000000, 0.0000310000000000 ] - [ 0.0003087600000000, 0.0006973600000000, 0.0002450600000000 ] - [ 0.0004661100000000, -0.0009066300000000, -0.0022581300000000 ] - [ 0.0286052500000000, 0.0239772200000000, 0.0315594400000000 ] - [ 0.0005657800000000, -0.0004173400000000, -0.0000325300000000 ] - [ -0.0003446900000000, 0.0004025100000000, -0.0011662500000000 ] - [ -0.0000964400000000, 0.0000942200000000, 0.0004182100000000 ] - [ -0.0000656500000000, -0.0005154600000000, -0.0002283300000000 ] - [ -0.0011300600000000, -0.0001565400000000, 0.0011191600000000 ] - [ 0.0001459400000000, -0.0002975100000000, 0.0004378900000000 ] - [ -0.0003351600000000, 0.0003762600000000, 0.0007245500000000 ] - [ -0.0004396400000000, 0.0003651000000000, -0.0003052100000000 ] - [ 0.0001262500000000, 0.0008911300000000, -0.0000186800000000 ] - [ 0.0000114000000000, 0.0000351700000000, -0.0002606200000000 ] - [ 0.0000939500000000, 0.0000362600000000, 0.0003963600000000 ] - [ -0.0008135700000000, 0.0005506400000000, -0.0002641900000000 ] - [ 0.0000009100000000, 0.0000102100000000, 0.0004064500000000 ] - [ -0.0001861700000000, -0.0003697700000000, -0.0004678800000000 ] - [ 0.0000325000000000, 0.0001725500000000, -0.0000679300000000 ] - [ -0.0007443700000000, -0.0002459300000000, -0.0002015800000000 ] - [ -0.0003515500000000, -0.0016277400000000, -0.0107637600000000 ] - [ 0.0006857900000000, 0.0004660200000000, -0.0000986200000000 ] - [ 0.0004162700000000, 0.0001304100000000, 0.0001156500000000 ] - [ -0.0001101100000000, 0.0008592600000000, 0.0015773000000000 ] - [ -0.0000557900000000, -0.0000481800000000, 0.0001098700000000 ] - [ 0.0005427300000000, -0.0004232400000000, -0.0002172800000000 ] - [ 0.0003121100000000, -0.0004196000000000, -0.0006770800000000 ] - [ 0.0033242000000000, -0.0005287600000000, -0.0091873900000000 ] - [ 0.0011583800000000, -0.0000699200000000, -0.0017035900000000 ] - [ 0.0006056400000000, -0.0006862100000000, 0.0003152100000000 ] - [ 0.0003259100000000, -0.0004009800000000, 0.0002421300000000 ] - [ -0.0001646900000000, -0.0002707300000000, 0.0001677700000000 ] - [ -0.0007386600000000, 0.0004411000000000, 0.0003507600000000 ] - [ 0.0004274900000000, -0.0000567100000000, -0.0006031700000000 ] - [ -0.0001201300000000, 0.0005483400000000, -0.0005391200000000 ] - [ 0.0000564100000000, 0.0005889100000000, 0.0001645500000000 ] - [ -0.0005417200000000, 0.0000366300000000, 0.0001961200000000 ] - [ -0.0001256000000000, -0.0008026500000000, 0.0003110700000000 ] - [ -0.0007316300000000, 0.0002646100000000, -0.0010035300000000 ] - [ -0.0160539000000000, -0.0603881900000000, 0.0575216400000000 ] - [ 0.0004806100000000, -0.0000338000000000, -0.0005213200000000 ] - [ -0.0003106200000000, -0.0002983900000000, -0.0006136900000000 ] - [ 0.0009631400000000, 0.0012551900000000, 0.0014219900000000 ] - [ -0.0004525600000000, 0.0004396400000000, 0.0002028800000000 ] - [ -0.0003470400000000, 0.0001364100000000, -0.0006266200000000 ] - [ 0.0002999200000000, 0.0004608300000000, 0.0002227200000000 ] - [ 0.0003228200000000, 0.0006932000000000, -0.0011709600000000 ] - [ 0.0019651900000000, 0.0011177500000000, -0.0009771200000000 ] - [ -0.0015797500000000, 0.0002124600000000, 0.0005497100000000 ] - [ -0.0010749000000000, 0.0013522800000000, -0.0004109700000000 ] - [ 0.0003461600000000, 0.0000788200000000, 0.0000707000000000 ] - [ 0.0007015000000000, -0.0000320100000000, 0.0005196000000000 ] - [ -0.0163829500000000, 0.0477747300000000, -0.0919508400000000 ] - [ -0.0002683700000000, 0.0002114200000000, 0.0001752100000000 ] - [ 0.0001942500000000, -0.0001813000000000, -0.0000083300000000 ] - [ 0.0000452100000000, 0.0001288200000000, 0.0000105500000000 ] - [ 0.0000251400000000, 0.0001633100000000, -0.0001670100000000 ] - [ -0.0006285800000000, -0.0000062900000000, -0.0000592700000000 ] - [ -0.0015551400000000, 0.0013017600000000, 0.0029156100000000 ] - [ -0.0002532300000000, 0.0001459500000000, 0.0000661400000000 ] - [ -0.0001289600000000, -0.0002385300000000, -0.0041622800000000 ] - [ -0.0007089200000000, 0.0004909800000000, -0.0003744000000000 ] - [ 0.0002584200000000, -0.0002431600000000, 0.0001768300000000 ] - [ -0.0000068100000000, 0.0004214200000000, 0.0000204400000000 ] - [ 0.0004357400000000, 0.0000289300000000, 0.0000197100000000 ] - [ -0.0000462900000000, 0.0001137200000000, -0.0000987500000000 ] - [ -0.0000989100000000, -0.0001522500000000, -0.0000823900000000 ] - [ 0.0000992800000000, 0.0001732400000000, -0.0003270700000000 ] - [ 0.0001277000000000, -0.0003493800000000, 0.0001028700000000 ] - [ 0.0000725500000000, -0.0001793900000000, 0.0000316700000000 ] - [ 0.0003110900000000, 0.0000080400000000, -0.0000543500000000 ] - [ 0.0000930900000000, 0.0002037600000000, -0.0001812200000000 ] - [ 0.0001302100000000, 0.0000206200000000, 0.0007708600000000 ] - [ 0.0000037900000000, -0.0002011400000000, -0.0000389400000000 ] - [ -0.0001073000000000, 0.0001895000000000, -0.0001103100000000 ] - [ 0.0001906600000000, -0.0002414600000000, -0.0000781200000000 ] - [ 0.0001628500000000, 0.0001579700000000, 0.0025428000000000 ] - [ 0.0009145100000000, -0.0016262500000000, 0.0024250100000000 ] - [ -0.0007762400000000, 0.0006331600000000, -0.0002301000000000 ] - [ 0.0000110800000000, 0.0004059600000000, 0.0001881200000000 ] - [ 0.0005314800000000, -0.0010809000000000, -0.0003537700000000 ] - [ -0.0002816200000000, -0.0001059900000000, 0.0001582300000000 ] - [ -0.0003208700000000, -0.0002867500000000, -0.0000289300000000 ] - [ 0.0004486900000000, -0.0003198000000000, 0.0001858600000000 ] - [ -0.0001520300000000, 0.0008577500000000, -0.0000294900000000 ] - [ -0.0001985100000000, -0.0002371900000000, 0.0000599600000000 ] - [ -0.0019364500000000, 0.0048009900000000, -0.0075207900000000 ] - [ -0.0005181900000000, -0.0003637800000000, -0.0004696300000000 ] - [ -0.0001250500000000, 0.0000450800000000, 0.0000795200000000 ] - [ 0.0000395900000000, 0.0003408700000000, -0.0000494400000000 ] - [ -0.0001098600000000, -0.0006059300000000, 0.0001452900000000 ] - [ 0.0001277000000000, -0.0000383400000000, 0.0048459200000000 ] - [ -0.0003953300000000, 0.0001578600000000, 0.0001379800000000 ] - [ -0.0002886100000000, -0.0002461900000000, 0.0001106100000000 ] - [ -0.0001397300000000, -0.0004836300000000, 0.0001167500000000 ] - [ -0.0000231700000000, -0.0000362600000000, -0.0000006400000000 ] - [ -0.0001615000000000, -0.0002021300000000, -0.0003941300000000 ] - [ 0.0000195300000000, -0.0000889800000000, 0.0008372400000000 ] - [ 0.0007789600000000, 0.0001210100000000, 0.0003927200000000 ] - [ 0.0002222600000000, 0.0000695600000000, 0.0000841600000000 ] - [ 0.0000067200000000, -0.0000146200000000, -0.0001526700000000 ] - [ 0.0010620900000000, 0.0003734200000000, -0.0004946700000000 ] - [ -0.0009958400000000, -0.0002184400000000, 0.0005195100000000 ] - [ 0.0004088300000000, -0.0003067400000000, 0.0000340800000000 ] - [ -0.0002241700000000, -0.0004486700000000, 0.0000068500000000 ] - [ 0.0001158200000000, -0.0004020000000000, -0.0000182400000000 ] - [ -0.0003392500000000, 0.0002552500000000, 0.0001150100000000 ] - [ 0.0004785000000000, 0.0000716700000000, 0.0001320300000000 ] - [ 0.0075756900000000, 0.0050368600000000, 0.0103199400000000 ] - [ 0.0001622400000000, 0.0001338100000000, -0.0000694300000000 ] - [ -0.0002671000000000, -0.0017993400000000, 0.0011622300000000 ] - [ -0.0000099800000000, -0.0001104700000000, 0.0000057800000000 ] - [ 0.0000684500000000, 0.0000919400000000, 0.0000157400000000 ] - [ -0.0000385300000000, -0.0001297300000000, 0.0001996500000000 ] - [ -0.0002601900000000, -0.0000394400000000, -0.0002688200000000 ] - [ 0.0009283600000000, 0.0000655100000000, -0.0007852200000000 ] - [ -0.0002466500000000, -0.0001868100000000, 0.0014872100000000 ] - [ -0.0000142300000000, 0.0002617800000000, 0.0000520100000000 ] - [ 0.0001177100000000, 0.0000952400000000, -0.0000922100000000 ] - [ -0.0000265600000000, -0.0000017800000000, 0.0000123900000000 ] - [ 0.0000484300000000, -0.0003285100000000, 0.0001371000000000 ] - [ -0.0000672900000000, -0.0000350000000000, -0.0001637000000000 ] - [ -0.0000408300000000, -0.0001621200000000, -0.0001769500000000 ] - [ 0.0003254000000000, -0.0002251100000000, 0.0001258500000000 ] - [ 0.0000943100000000, 0.0002481400000000, 0.0000963900000000 ] - [ 0.0001960800000000, 0.0002139900000000, -0.0003752000000000 ] - [ -0.0001648800000000, -0.0001276200000000, -0.0001411000000000 ] - [ -0.0058475400000000, -0.0195326700000000, 0.0192649000000000 ] - [ -0.0002749400000000, 0.0000324600000000, -0.0003118100000000 ] - [ -0.0000417900000000, -0.0002241500000000, -0.0001634900000000 ] - [ 0.0002565100000000, 0.0002300600000000, -0.0000291800000000 ] - [ 0.0000643300000000, -0.0001469300000000, -0.0001683400000000 ] - [ -0.0013163200000000, 0.0013505800000000, 0.0022180000000000 ] - [ 0.0001765300000000, 0.0000923800000000, -0.0001121800000000 ] - [ -0.0000899000000000, 0.0000728100000000, 0.0000289500000000 ] - [ -0.0058530100000000, -0.0020111200000000, -0.0030063800000000 ] - [ -0.0001880700000000, 0.0001603400000000, -0.0000599400000000 ] - [ 0.0004429500000000, -0.0004040300000000, -0.0008025100000000 ] - [ -0.0000887500000000, -0.0002287000000000, -0.0001046400000000 ] - [ -0.0001716300000000, -0.0003274100000000, 0.0005500500000000 ] - [ -0.0005115000000000, 0.0008995800000000, 0.0004619000000000 ] - [ -0.0000801100000000, 0.0000741300000000, 0.0007812000000000 ] - [ 0.0002858200000000, -0.0005762700000000, -0.0004522500000000 ] - [ 0.0007220800000000, -0.0003824500000000, -0.0003016600000000 ] - [ 0.0041844200000000, 0.0036799000000000, -0.0073654900000000 ] - [ -0.0003547500000000, -0.0002201200000000, 0.0007254700000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000671500000000, 0.0000110600000000, 0.0000960600000000 ] - [ 0.0000667500000000, -0.0000473700000000, 0.0001036400000000 ] - [ 0.0000354500000000, 0.0000415300000000, 0.0001963400000000 ] - [ 0.0000482000000000, 0.0005561600000000, 0.0005906500000000 ] - [ -0.0001415600000000, -0.0001441700000000, 0.0000357500000000 ] - [ 0.0001701300000000, -0.0000682400000000, 0.0002439200000000 ] - [ 0.0000565100000000, 0.0000891000000000, 0.0001087800000000 ] - [ -0.0000101900000000, -0.0000192700000000, 0.0001273100000000 ] - [ 0.0001831200000000, 0.0006517800000000, -0.0000849600000000 ] - [ 0.0000389500000000, -0.0001331900000000, 0.0002128100000000 ] - [ 0.0001786400000000, 0.0000996800000000, -0.0000098000000000 ] - [ -0.0002259700000000, -0.0002199400000000, 0.0001917300000000 ] - [ 0.0000855700000000, -0.0001174500000000, 0.0000179100000000 ] - [ -0.0000251900000000, -0.0000309900000000, 0.0001575100000000 ] - [ 0.0010664400000000, -0.0006558600000000, 0.0001482200000000 ] - [ -0.0000283700000000, 0.0000890700000000, 0.0002449600000000 ] - [ -0.0017170400000000, 0.0013234700000000, 0.0005472500000000 ] - [ 0.0000984800000000, 0.0000010400000000, 0.0000369500000000 ] - [ -0.0024946400000000, 0.0021287200000000, 0.0017066000000000 ] - [ -0.0011045200000000, 0.0007272500000000, -0.0023651200000000 ] - [ 0.0001701400000000, -0.0001987800000000, 0.0000384700000000 ] - [ -0.0000685900000000, 0.0000417500000000, -0.0000248000000000 ] - [ 0.0000584500000000, -0.0002092700000000, 0.0000037300000000 ] - [ -0.0006350500000000, -0.0005436500000000, -0.0002035900000000 ] - [ -0.0006029700000000, -0.0003858500000000, 0.0017580700000000 ] - [ -0.0286731000000000, -0.0233837300000000, -0.0320134900000000 ] - [ 0.0007374900000000, -0.0006824400000000, -0.0000752600000000 ] - [ 0.0015023300000000, 0.0001289300000000, 0.0006600600000000 ] - [ 0.0000798100000000, -0.0000496200000000, 0.0003842800000000 ] - [ -0.0002407000000000, -0.0011475800000000, 0.0001166500000000 ] - [ -0.0004485600000000, -0.0004503000000000, -0.0011875200000000 ] - [ -0.0001270500000000, 0.0002512800000000, 0.0003617900000000 ] - [ 0.0002867800000000, -0.0003669100000000, 0.0000744100000000 ] - [ -0.0006108500000000, 0.0003905000000000, -0.0001937900000000 ] - [ 0.0001818400000000, 0.0007693600000000, -0.0000892600000000 ] - [ -0.0004431000000000, -0.0000954900000000, 0.0002144400000000 ] - [ -0.0000749600000000, 0.0000028200000000, 0.0004018800000000 ] - [ -0.0004898000000000, 0.0005477300000000, 0.0001536400000000 ] - [ -0.0000221300000000, -0.0000534600000000, 0.0003930000000000 ] - [ 0.0004614300000000, 0.0000139100000000, 0.0004222600000000 ] - [ 0.0001452200000000, 0.0002446500000000, 0.0000307700000000 ] - [ -0.0004241000000000, -0.0002854200000000, -0.0002970100000000 ] - [ 0.0004006100000000, 0.0016259700000000, 0.0115653400000000 ] - [ 0.0009164900000000, 0.0001013600000000, -0.0000055700000000 ] - [ 0.0000158400000000, -0.0000666100000000, -0.0001560400000000 ] - [ 0.0002030400000000, 0.0004468700000000, -0.0020569700000000 ] - [ -0.0001209900000000, -0.0003665700000000, -0.0001455500000000 ] - [ 0.0005040900000000, -0.0003333200000000, -0.0002800900000000 ] - [ -0.0000421900000000, -0.0006149600000000, -0.0004605000000000 ] - [ -0.0016676500000000, 0.0008920600000000, 0.0098550600000000 ] - [ -0.0013579500000000, 0.0007049500000000, 0.0004405800000000 ] - [ 0.0005655000000000, -0.0005565700000000, 0.0003534200000000 ] - [ 0.0003456800000000, -0.0001556000000000, 0.0001146700000000 ] - [ 0.0000041600000000, -0.0005590000000000, 0.0001829900000000 ] - [ -0.0004338500000000, 0.0008002400000000, 0.0003198300000000 ] - [ 0.0002888000000000, -0.0000612400000000, -0.0006622700000000 ] - [ -0.0001512700000000, 0.0004841900000000, -0.0005963100000000 ] - [ 0.0001022900000000, 0.0002283700000000, 0.0001792700000000 ] - [ -0.0002348000000000, -0.0003278400000000, 0.0001513700000000 ] - [ -0.0003756700000000, -0.0008298300000000, 0.0003624800000000 ] - [ -0.0003269600000000, 0.0000173500000000, -0.0001364800000000 ] - [ 0.0150782000000000, 0.0589467700000000, -0.0592349400000000 ] - [ 0.0005757700000000, -0.0002464400000000, -0.0006160700000000 ] - [ -0.0001028900000000, -0.0002712400000000, -0.0006565600000000 ] - [ -0.0007665600000000, -0.0018860500000000, -0.0027256600000000 ] - [ -0.0002069600000000, 0.0001170700000000, 0.0001572700000000 ] - [ -0.0003714900000000, -0.0000198400000000, -0.0006405000000000 ] - [ 0.0001945900000000, 0.0011607400000000, 0.0004439300000000 ] - [ 0.0004246800000000, 0.0000693700000000, 0.0000353600000000 ] - [ -0.0015221500000000, -0.0005407500000000, -0.0002935000000000 ] - [ -0.0000836600000000, -0.0005857500000000, 0.0001202400000000 ] - [ 0.0018430600000000, -0.0010534500000000, 0.0007677600000000 ] - [ 0.0002687700000000, 0.0002179300000000, 0.0001072600000000 ] - [ 0.0000300400000000, 0.0003824500000000, -0.0002561200000000 ] - [ 0.0174499400000000, -0.0470272700000000, 0.0930637200000000 ] - [ -0.0005152900000000, 0.0002473600000000, -0.0000960400000000 ] - [ -0.0000251800000000, 0.0000268900000000, -0.0000344300000000 ] - [ 0.0001395600000000, 0.0001541100000000, -0.0001289100000000 ] - [ 0.0000372000000000, 0.0003274900000000, -0.0001692900000000 ] - [ -0.0004648400000000, -0.0000316800000000, 0.0000569800000000 ] - [ 0.0008296500000000, -0.0010560200000000, -0.0029719000000000 ] - [ -0.0003122400000000, 0.0002410200000000, 0.0001098200000000 ] - [ 0.0007472000000000, -0.0007637500000000, 0.0041919800000000 ] - [ -0.0006882300000000, 0.0004053000000000, -0.0003400300000000 ] - [ 0.0003069900000000, -0.0001409800000000, 0.0000038700000000 ] - [ -0.0000030200000000, 0.0004901800000000, 0.0000584100000000 ] - [ 0.0006576600000000, 0.0000087800000000, -0.0000211000000000 ] - [ -0.0001108000000000, 0.0001883600000000, -0.0000220000000000 ] - [ -0.0000852300000000, -0.0001293500000000, -0.0000383900000000 ] - [ -0.0000091500000000, 0.0001952100000000, -0.0001046100000000 ] - [ -0.0000766200000000, 0.0005660900000000, -0.0001448600000000 ] - [ 0.0001472600000000, -0.0003164300000000, 0.0000557200000000 ] - [ 0.0002229200000000, 0.0001705700000000, -0.0000806300000000 ] - [ 0.0001147800000000, -0.0001350900000000, 0.0001382500000000 ] - [ 0.0000241700000000, 0.0000072600000000, 0.0008463700000000 ] - [ -0.0000551800000000, -0.0000183700000000, -0.0000017600000000 ] - [ -0.0002822400000000, 0.0001061200000000, -0.0002210100000000 ] - [ 0.0002379400000000, -0.0001345200000000, -0.0000549100000000 ] - [ -0.0016212000000000, -0.0009104100000000, -0.0032454400000000 ] - [ -0.0010201100000000, 0.0010558700000000, -0.0025574600000000 ] - [ 0.0006549300000000, 0.0000851400000000, 0.0001865900000000 ] - [ 0.0002021900000000, 0.0004671600000000, 0.0000797400000000 ] - [ -0.0005811700000000, 0.0003979200000000, 0.0005132000000000 ] - [ -0.0003354900000000, -0.0001902500000000, 0.0000238700000000 ] - [ -0.0002434200000000, -0.0001985400000000, -0.0000207700000000 ] - [ 0.0002057400000000, -0.0002980900000000, 0.0000774500000000 ] - [ 0.0002354500000000, 0.0008028000000000, -0.0006865300000000 ] - [ -0.0001122300000000, -0.0002106400000000, 0.0000238700000000 ] - [ 0.0011240000000000, -0.0051137700000000, 0.0075879200000000 ] - [ 0.0000664500000000, 0.0001675900000000, 0.0001380000000000 ] - [ 0.0005758500000000, 0.0001432000000000, -0.0004162200000000 ] - [ 0.0002724100000000, 0.0001120900000000, 0.0001331000000000 ] - [ 0.0001198400000000, -0.0003053100000000, -0.0000662300000000 ] - [ 0.0004240700000000, -0.0000124000000000, -0.0047721300000000 ] - [ -0.0002713100000000, 0.0002828000000000, 0.0001208500000000 ] - [ -0.0004397800000000, -0.0001052100000000, 0.0001519500000000 ] - [ -0.0000730900000000, -0.0003878200000000, 0.0001496500000000 ] - [ -0.0001475600000000, 0.0001948400000000, -0.0000409500000000 ] - [ 0.0006921800000000, 0.0011769200000000, 0.0003915600000000 ] - [ 0.0000906400000000, -0.0000377200000000, 0.0007876000000000 ] - [ -0.0004333300000000, -0.0001886100000000, -0.0006606800000000 ] - [ -0.0002874100000000, -0.0001801000000000, -0.0000684900000000 ] - [ -0.0001024100000000, 0.0003092400000000, -0.0001308700000000 ] - [ 0.0004072500000000, 0.0003831700000000, -0.0002170200000000 ] - [ 0.0009391000000000, 0.0000647300000000, 0.0010797100000000 ] - [ 0.0003763000000000, -0.0001518600000000, 0.0000450900000000 ] - [ -0.0003114600000000, -0.0005331700000000, -0.0000055300000000 ] - [ 0.0000010000000000, -0.0003142600000000, -0.0000244100000000 ] - [ -0.0003155200000000, 0.0003605300000000, 0.0001479000000000 ] - [ 0.0003164200000000, 0.0003798400000000, -0.0000495900000000 ] - [ -0.0071817000000000, -0.0052411700000000, -0.0106788100000000 ] - [ 0.0002035500000000, -0.0000243100000000, -0.0003544600000000 ] - [ 0.0003249300000000, 0.0019628200000000, 0.0004616300000000 ] - [ -0.0002142100000000, 0.0000486300000000, -0.0000490900000000 ] - [ -0.0000010400000000, 0.0000187300000000, -0.0000003100000000 ] - [ 0.0001962000000000, -0.0001725200000000, -0.0003172300000000 ] - [ -0.0001035900000000, -0.0000686200000000, -0.0001611500000000 ] - [ -0.0008501800000000, -0.0002020200000000, 0.0008085000000000 ] - [ 0.0000879100000000, 0.0001572600000000, 0.0001403600000000 ] - [ -0.0002067100000000, 0.0002346900000000, 0.0000350000000000 ] - [ -0.0003989000000000, 0.0001663900000000, -0.0003370500000000 ] - [ 0.0001602800000000, -0.0000004200000000, 0.0000028800000000 ] - [ -0.0003898000000000, 0.0003464500000000, -0.0002569000000000 ] - [ -0.0002781300000000, 0.0000994100000000, -0.0001022800000000 ] - [ -0.0000494100000000, -0.0002070300000000, -0.0002532400000000 ] - [ 0.0003432100000000, -0.0002139800000000, 0.0001325800000000 ] - [ -0.0000440000000000, 0.0004351500000000, 0.0000799400000000 ] - [ 0.0000193500000000, 0.0000565500000000, 0.0001014200000000 ] - [ -0.0003811500000000, 0.0001753400000000, 0.0002270100000000 ] - [ 0.0060860000000000, 0.0191952000000000, -0.0191422200000000 ] - [ -0.0002622300000000, -0.0002112000000000, 0.0001775700000000 ] - [ -0.0000207700000000, -0.0002671100000000, -0.0001730400000000 ] - [ 0.0003096300000000, 0.0002581700000000, -0.0000212300000000 ] - [ 0.0000274900000000, -0.0001444600000000, -0.0001167700000000 ] - [ 0.0012419500000000, -0.0012159500000000, -0.0022026300000000 ] - [ -0.0000646200000000, 0.0004634600000000, -0.0000278000000000 ] - [ -0.0000398500000000, -0.0000681900000000, -0.0000127900000000 ] - [ 0.0061959300000000, 0.0016888400000000, 0.0026972000000000 ] - [ -0.0002381200000000, 0.0002188900000000, -0.0000739800000000 ] - [ 0.0002727300000000, 0.0001541900000000, 0.0007530200000000 ] - [ -0.0001233900000000, -0.0000220000000000, -0.0001671000000000 ] - [ 0.0001385200000000, -0.0004724000000000, -0.0002912300000000 ] - [ -0.0001113100000000, 0.0000771000000000, -0.0004434600000000 ] - [ -0.0000290200000000, 0.0000535100000000, 0.0008418700000000 ] - [ -0.0003566900000000, -0.0010776600000000, -0.0002626000000000 ] - [ 0.0006745600000000, -0.0005147000000000, -0.0004112000000000 ] - [ -0.0040932300000000, -0.0028223900000000, 0.0076200800000000 ] - [ -0.0005124500000000, -0.0000330400000000, -0.0004624400000000 ]- atom: 76 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0003527900000000, 0.0002860900000000, 0.0001410300000000 ] - [ 0.0000117200000000, -0.0011496100000000, 0.0006260700000000 ] - [ 0.0002535100000000, 0.0001133500000000, 0.0002143000000000 ] - [ -0.0009236100000000, -0.0000531600000000, 0.0004738600000000 ] - [ -0.0002989300000000, -0.0004547900000000, 0.0000474300000000 ] - [ -0.0001043200000000, -0.0004578900000000, 0.0002074800000000 ] - [ -0.0008284000000000, -0.0000327300000000, -0.0001273800000000 ] - [ -0.0002732000000000, 0.0003015600000000, 0.0000572500000000 ] - [ 0.0001509500000000, 0.0002078800000000, 0.0000260900000000 ] - [ -0.0001628100000000, -0.0003924300000000, 0.0002169400000000 ] - [ 0.0049646600000000, 0.0000506100000000, -0.0017217900000000 ] - [ 0.0001363700000000, 0.0001322100000000, 0.0000533300000000 ] - [ 0.0000723700000000, -0.0009507000000000, -0.0004605000000000 ] - [ 0.0003158100000000, -0.0010873000000000, -0.0005315200000000 ] - [ -0.0000708500000000, 0.0021820800000000, -0.0020483800000000 ] - [ 0.0001065000000000, 0.0020029000000000, -0.0015415300000000 ] - [ -0.0002846700000000, 0.0001200000000000, 0.0000897400000000 ] - [ 0.0009098200000000, -0.0013459900000000, 0.0010872300000000 ] - [ -0.0003403900000000, 0.0019597900000000, 0.0016192000000000 ] - [ -0.0003337700000000, 0.0002304600000000, 0.0001542800000000 ] - [ 0.0004071600000000, 0.0000604000000000, 0.0000373100000000 ] - [ -0.0008363500000000, -0.0000795400000000, 0.0002197100000000 ] - [ -0.0001647900000000, -0.0005891300000000, 0.0000457500000000 ] - [ -0.0009430900000000, 0.0000481100000000, -0.0001265700000000 ] - [ -0.0001054500000000, -0.0000659500000000, -0.0001346600000000 ] - [ 0.0001024500000000, 0.0009948200000000, -0.0004462100000000 ] - [ 0.0004199800000000, -0.0016625300000000, -0.0001158600000000 ] - [ 0.0014177500000000, 0.0013723900000000, 0.0008079500000000 ] - [ 0.0000097000000000, -0.0015980400000000, 0.0004919200000000 ] - [ -0.0020823300000000, -0.0025974100000000, 0.0006723900000000 ] - [ -0.0016785400000000, -0.0006540000000000, -0.0017288300000000 ] - [ 0.0027529400000000, 0.0011309800000000, -0.0018392600000000 ] - [ -0.0002755500000000, -0.0003388100000000, 0.0004170500000000 ] - [ -0.0007669100000000, 0.0002618400000000, -0.0002464900000000 ] - [ 0.0015814300000000, 0.0006543500000000, -0.0002717700000000 ] - [ -0.0018543200000000, 0.0002371100000000, -0.0000117500000000 ] - [ -0.0008660800000000, 0.0000674700000000, 0.0004417800000000 ] - [ 0.0600567600000000, 0.0482404700000000, -0.0289417300000000 ] - [ 0.0003545600000000, 0.0014390800000000, 0.0003819600000000 ] - [ -0.0010966600000000, -0.0003114900000000, -0.0001761700000000 ] - [ -0.0094877900000000, 0.0020513400000000, -0.0029748000000000 ] - [ -0.0015588800000000, -0.0013134900000000, 0.0001305100000000 ] - [ -0.0016201500000000, 0.0019988600000000, 0.0000400700000000 ] - [ 0.0008967200000000, -0.0005761000000000, 0.0000082100000000 ] - [ 0.0002204200000000, 0.0005986200000000, 0.0000050200000000 ] - [ -0.0011985000000000, 0.0007780000000000, -0.0002767400000000 ] - [ 0.0003551400000000, -0.0005394300000000, -0.0000299100000000 ] - [ -0.0005391900000000, 0.0005367700000000, 0.0003062000000000 ] - [ -0.0012444400000000, -0.0005713100000000, -0.0005143200000000 ] - [ 0.0010633800000000, 0.0019019300000000, 0.0003598800000000 ] - [ -0.0018388700000000, 0.0004148700000000, -0.0006770700000000 ] - [ 0.0000887100000000, -0.0014132700000000, -0.0016762100000000 ] - [ 0.0019918000000000, 0.0008587200000000, 0.0035689200000000 ] - [ 0.0059348100000000, -0.0022515300000000, -0.0002915100000000 ] - [ -0.0002342600000000, 0.0003111100000000, 0.0003348100000000 ] - [ -0.0028171800000000, 0.0026919400000000, -0.0006639500000000 ] - [ 0.0005249600000000, 0.0020838100000000, -0.0002333300000000 ] - [ -0.0006681100000000, -0.0008352600000000, 0.0004499700000000 ] - [ -0.0002284500000000, -0.0008223200000000, 0.0003141300000000 ] - [ -0.0003802300000000, -0.0001847900000000, 0.0003317200000000 ] - [ 0.0523951500000000, 0.0456336200000000, 0.0153591700000000 ] - [ -0.0017150100000000, 0.0006231300000000, -0.0010222100000000 ] - [ 0.0005089800000000, -0.0013689900000000, -0.0004584200000000 ] - [ -0.0018763200000000, -0.0031550200000000, 0.0002055400000000 ] - [ -0.0000145300000000, 0.0001620400000000, -0.0006383700000000 ] - [ -0.0005276500000000, -0.0012244800000000, 0.0000560500000000 ] - [ -0.0004503400000000, -0.0000617300000000, -0.0006656600000000 ] - [ -0.0011422100000000, 0.0009921000000000, 0.0002792800000000 ] - [ 0.0002633500000000, -0.0000592000000000, -0.0005493100000000 ] - [ 0.0021231600000000, -0.0001691400000000, -0.0006230100000000 ] - [ -0.0020030400000000, -0.0005054400000000, 0.0003382800000000 ] - [ -0.0090581800000000, -0.0022138500000000, -0.0064966800000000 ] - [ 0.0004554000000000, 0.0007427200000000, 0.0001840700000000 ] - [ -0.0064665700000000, -0.0087058200000000, -0.0005085400000000 ] - [ 0.0005488900000000, -0.0005125800000000, 0.0002557500000000 ] - [ -0.1245576300000000, -0.1270425600000000, 0.0191555600000000 ] - [ -0.0039848800000000, 0.0070698600000000, 0.0006020800000000 ] - [ 0.0005790800000000, 0.0001598200000000, -0.0001088200000000 ] - [ -0.0000091200000000, 0.0004215600000000, -0.0002081900000000 ] - [ -0.0005029500000000, -0.0001175300000000, -0.0000132400000000 ] - [ 0.0010607900000000, -0.0002662300000000, 0.0000341700000000 ] - [ -0.0015091400000000, 0.0006187100000000, 0.0006904900000000 ] - [ 0.0003704600000000, -0.0009246300000000, 0.0001495600000000 ] - [ 0.0000951100000000, 0.0000782800000000, -0.0000105100000000 ] - [ 0.0008971500000000, 0.0003808000000000, -0.0003752300000000 ] - [ -0.0010087400000000, 0.0000745400000000, 0.0000746900000000 ] - [ 0.0024314800000000, -0.0003962900000000, 0.0003990600000000 ] - [ -0.0000569600000000, 0.0007844200000000, -0.0001707800000000 ] - [ -0.0002561500000000, -0.0009269700000000, -0.0002335500000000 ] - [ -0.0000931800000000, 0.0003391200000000, -0.0001796700000000 ] - [ 0.0028145600000000, 0.0033966300000000, 0.0004807200000000 ] - [ -0.0008413300000000, 0.0000961700000000, -0.0002797600000000 ] - [ 0.0005643900000000, 0.0012335000000000, -0.0001158000000000 ] - [ -0.0005693200000000, 0.0001151300000000, -0.0002680100000000 ] - [ 0.0006870900000000, 0.0008260600000000, 0.0002105200000000 ] - [ -0.0003798200000000, 0.0003028900000000, -0.0000974200000000 ] - [ 0.0010363500000000, 0.0008598700000000, -0.0001195600000000 ] - [ 0.0010247600000000, 0.0001786900000000, -0.0001873400000000 ] - [ -0.0012795200000000, -0.0009021200000000, -0.0005945000000000 ] - [ 0.0033732700000000, -0.0018905100000000, 0.0004951200000000 ] - [ -0.0014032100000000, 0.0009855100000000, 0.0005077000000000 ] - [ 0.0009115600000000, 0.0000317200000000, 0.0001625900000000 ] - [ 0.0016460000000000, 0.0000362400000000, 0.0030565600000000 ] - [ -0.0034200100000000, 0.0017123600000000, -0.0055194800000000 ] - [ 0.0000286900000000, -0.0001457400000000, -0.0000680800000000 ] - [ 0.0150354000000000, 0.0214831600000000, 0.0036617100000000 ] - [ -0.0000409400000000, 0.0003990200000000, -0.0002817400000000 ] - [ -0.0001187000000000, -0.0008612700000000, 0.0000781400000000 ] - [ 0.0004086900000000, -0.0008866300000000, 0.0001339400000000 ] - [ -0.0003216500000000, -0.0004685000000000, -0.0002375100000000 ] - [ 0.0011146400000000, 0.0002105600000000, -0.0002761900000000 ] - [ 0.0008829700000000, -0.0000672200000000, 0.0001589900000000 ] - [ 0.0013523500000000, -0.0000969200000000, -0.0000429600000000 ] - [ 0.0005433600000000, -0.0014213100000000, 0.0002051100000000 ] - [ 0.0000727800000000, 0.0004624300000000, 0.0001485100000000 ] - [ -0.0003444900000000, 0.0006850500000000, 0.0000766600000000 ] - [ -0.0000298000000000, -0.0010843500000000, 0.0000606000000000 ] - [ -0.0000014500000000, 0.0008619900000000, -0.0001957800000000 ] - [ -0.0002000700000000, 0.0005224600000000, -0.0000474100000000 ] - [ 0.0001615200000000, -0.0000807400000000, 0.0008121000000000 ] - [ 0.0195509500000000, 0.0076283100000000, -0.0019185400000000 ] - [ -0.0008719400000000, -0.0004619000000000, 0.0001716700000000 ] - [ 0.0000958600000000, 0.0012335900000000, -0.0000728000000000 ] - [ 0.0016788300000000, 0.0006812200000000, -0.0006100700000000 ] - [ 0.0006275100000000, -0.0001357400000000, 0.0008504700000000 ] - [ 0.0006573400000000, 0.0006605700000000, -0.0000146000000000 ] - [ 0.0027482000000000, 0.0012018600000000, -0.0002830800000000 ] - [ 0.0002107800000000, 0.0012227500000000, -0.0000903100000000 ] - [ -0.0004931400000000, 0.0008214800000000, 0.0002243300000000 ] - [ 0.0003529600000000, 0.0006698800000000, 0.0000984900000000 ] - [ 0.0001988800000000, -0.0009188200000000, -0.0000369300000000 ] - [ 0.0009095200000000, -0.0000341200000000, -0.0001642300000000 ] - [ 0.0000611900000000, -0.0001519800000000, 0.0007493600000000 ] - [ -0.0000199600000000, 0.0006694400000000, -0.0000187900000000 ] - [ 0.0004948200000000, 0.0009746500000000, 0.0004875900000000 ] - [ -0.0083246000000000, 0.0027483300000000, 0.0062295900000000 ] - [ -0.0001894800000000, -0.0003245900000000, -0.0002243900000000 ] - [ 0.0007171700000000, -0.0002738100000000, 0.0000942200000000 ] - [ -0.0008628400000000, 0.0001389600000000, 0.0004295200000000 ] - [ -0.0003589700000000, 0.0006451000000000, 0.0000242900000000 ] - [ 0.0003477600000000, 0.0003234200000000, -0.0000968000000000 ] - [ 0.0001852500000000, -0.0001772700000000, 0.0000355700000000 ] - [ -0.0000916500000000, 0.0001702700000000, -0.0000769000000000 ] - [ -0.0001504600000000, 0.0004487800000000, -0.0001458600000000 ] - [ 0.0012208700000000, -0.0003771300000000, 0.0024119200000000 ] - [ 0.0004509700000000, -0.0012738000000000, 0.0001507600000000 ] - [ -0.0000185900000000, 0.0007397200000000, -0.0000139900000000 ] - [ 0.0008593100000000, 0.0009289600000000, 0.0003304900000000 ] - [ 0.0001292800000000, 0.0004136200000000, 0.0000815000000000 ] - [ 0.0008433000000000, -0.0006207500000000, 0.0004331700000000 ] - [ -0.0023265400000000, -0.0017884500000000, 0.0001718500000000 ] - [ 0.0037544400000000, -0.0023342600000000, -0.0006194600000000 ] - [ 0.0005394500000000, -0.0011500700000000, 0.0001034700000000 ] - [ -0.0018701900000000, 0.0000650700000000, -0.0014120500000000 ] - [ 0.0002297700000000, -0.0006621100000000, -0.0000938500000000 ] - [ -0.0001116500000000, 0.0006014900000000, -0.0001252300000000 ] - [ 0.0009766900000000, -0.0001600800000000, -0.0002120600000000 ] - [ -0.0008645700000000, -0.0006811000000000, -0.0000762900000000 ] - [ -0.0024582400000000, -0.0014624900000000, -0.0003244300000000 ] - [ 0.0004893200000000, -0.0001982700000000, -0.0000148400000000 ] - [ -0.0010836400000000, 0.0008952500000000, -0.0002913500000000 ] - [ 0.0000829600000000, -0.0004355600000000, 0.0001054200000000 ] - [ 0.0006321300000000, 0.0002497500000000, -0.0001702400000000 ] - [ 0.0008328600000000, -0.0006683800000000, 0.0002292100000000 ] - [ 0.0006833900000000, -0.0007575600000000, -0.0003187200000000 ] - [ 0.0005718500000000, -0.0003479500000000, -0.0003065300000000 ] - [ 0.0011102500000000, 0.0001852200000000, 0.0001930100000000 ] - [ 0.0000076000000000, 0.0001631600000000, 0.0001161800000000 ]- atom: 76 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0002995100000000, -0.0002526700000000, 0.0000845700000000 ] - [ -0.0000160300000000, 0.0011528000000000, -0.0005100000000000 ] - [ -0.0001369200000000, 0.0000406500000000, 0.0002448100000000 ] - [ 0.0008106400000000, -0.0000997700000000, -0.0000172400000000 ] - [ 0.0000023100000000, 0.0002592900000000, -0.0000133100000000 ] - [ 0.0002969800000000, 0.0004351400000000, 0.0002516200000000 ] - [ 0.0008297000000000, 0.0000327400000000, 0.0002369500000000 ] - [ 0.0003272500000000, -0.0003322600000000, 0.0001682500000000 ] - [ -0.0001534200000000, -0.0002058100000000, 0.0000867300000000 ] - [ 0.0002387500000000, 0.0002207900000000, 0.0002428600000000 ] - [ -0.0045636500000000, 0.0000758000000000, 0.0016078900000000 ] - [ -0.0001370000000000, -0.0001275700000000, 0.0000051500000000 ] - [ -0.0000738100000000, 0.0009546300000000, 0.0005836700000000 ] - [ -0.0003615100000000, 0.0010618500000000, 0.0007550000000000 ] - [ -0.0001515600000000, -0.0021628700000000, 0.0024965600000000 ] - [ -0.0001707900000000, -0.0018285200000000, 0.0019972800000000 ] - [ 0.0002837800000000, -0.0001828600000000, 0.0001353500000000 ] - [ -0.0008467000000000, 0.0013759200000000, -0.0008615700000000 ] - [ 0.0003120300000000, -0.0016167300000000, -0.0015950900000000 ] - [ 0.0003337400000000, -0.0001695000000000, 0.0000705900000000 ] - [ -0.0000850800000000, -0.0002210100000000, -0.0000015500000000 ] - [ 0.0008356900000000, 0.0000775500000000, -0.0001600900000000 ] - [ 0.0001872500000000, 0.0002314100000000, -0.0000110600000000 ] - [ 0.0006229800000000, 0.0001126800000000, 0.0001636600000000 ] - [ -0.0000460900000000, -0.0012142500000000, -0.0003657800000000 ] - [ -0.0003818700000000, -0.0006498800000000, 0.0003986900000000 ] - [ 0.0008747000000000, 0.0005530400000000, 0.0000072800000000 ] - [ -0.0002520200000000, -0.0007977100000000, -0.0012926900000000 ] - [ -0.0000245500000000, 0.0016390600000000, 0.0003110800000000 ] - [ 0.0017648200000000, 0.0009432500000000, -0.0007860800000000 ] - [ 0.0000651700000000, 0.0001000700000000, 0.0016367300000000 ] - [ -0.0027307800000000, -0.0011904800000000, 0.0027114900000000 ] - [ 0.0002276400000000, 0.0003454900000000, 0.0003873600000000 ] - [ -0.0002792600000000, 0.0005128000000000, -0.0002517300000000 ] - [ -0.0012527100000000, 0.0010062700000000, 0.0001653600000000 ] - [ 0.0014278400000000, -0.0003088300000000, -0.0000316400000000 ] - [ 0.0008830900000000, -0.0000228000000000, 0.0003574400000000 ] - [ -0.0623814600000000, -0.0494701400000000, 0.0301595500000000 ] - [ -0.0003681400000000, -0.0014762800000000, 0.0004173800000000 ] - [ 0.0013682100000000, -0.0000366200000000, 0.0001283500000000 ] - [ 0.0096447200000000, -0.0016520600000000, 0.0029286400000000 ] - [ 0.0003839700000000, 0.0007904400000000, -0.0006271300000000 ] - [ 0.0016696800000000, -0.0020203900000000, 0.0007669900000000 ] - [ 0.0007127900000000, 0.0011319500000000, -0.0001122500000000 ] - [ 0.0002045500000000, -0.0005228900000000, -0.0000481800000000 ] - [ 0.0013469500000000, 0.0005027800000000, -0.0002234600000000 ] - [ -0.0005165600000000, 0.0001314800000000, -0.0000093800000000 ] - [ 0.0015852000000000, -0.0013082700000000, -0.0008014500000000 ] - [ 0.0015133200000000, -0.0004588800000000, -0.0006226300000000 ] - [ 0.0005750900000000, -0.0015434600000000, 0.0003115000000000 ] - [ 0.0016353800000000, 0.0002130100000000, -0.0005970800000000 ] - [ 0.0010883700000000, 0.0001674800000000, 0.0023416500000000 ] - [ -0.0013328500000000, -0.0014101400000000, -0.0031826800000000 ] - [ -0.0060670200000000, 0.0014164400000000, 0.0006419900000000 ] - [ -0.0009196200000000, 0.0009454900000000, 0.0003353500000000 ] - [ 0.0035190900000000, -0.0028140500000000, -0.0006023900000000 ] - [ -0.0007894100000000, -0.0010455700000000, -0.0009016800000000 ] - [ 0.0008101500000000, 0.0016696200000000, -0.0000998200000000 ] - [ -0.0005421300000000, 0.0005159200000000, 0.0000365600000000 ] - [ -0.0001258200000000, -0.0014266800000000, 0.0003399300000000 ] - [ -0.0539790000000000, -0.0452291100000000, -0.0164958700000000 ] - [ 0.0009686200000000, -0.0013951500000000, -0.0001124200000000 ] - [ 0.0005489500000000, 0.0010868200000000, -0.0006795500000000 ] - [ 0.0014528900000000, 0.0025914600000000, -0.0014748200000000 ] - [ 0.0002164400000000, -0.0007897900000000, -0.0006368800000000 ] - [ -0.0001456600000000, 0.0017715800000000, 0.0003072400000000 ] - [ -0.0002605300000000, 0.0001964600000000, -0.0006005400000000 ] - [ 0.0016475000000000, 0.0006239100000000, 0.0003917600000000 ] - [ 0.0004822300000000, 0.0008243000000000, -0.0005877500000000 ] - [ -0.0017161800000000, 0.0007398200000000, -0.0006380000000000 ] - [ 0.0003478000000000, 0.0001370600000000, 0.0003359400000000 ] - [ 0.0098799300000000, 0.0025302700000000, 0.0068945900000000 ] - [ 0.0001572700000000, -0.0004414800000000, -0.0000104000000000 ] - [ 0.0072323700000000, 0.0089463100000000, 0.0007392700000000 ] - [ 0.0003177000000000, 0.0007820400000000, 0.0000012400000000 ] - [ 0.1252857200000000, 0.1297733300000000, -0.0202144700000000 ] - [ 0.0041649300000000, -0.0072428800000000, -0.0006428500000000 ] - [ -0.0003931600000000, 0.0001198600000000, -0.0000088600000000 ] - [ 0.0000752400000000, 0.0000614000000000, -0.0001281100000000 ] - [ -0.0005918300000000, 0.0000702900000000, 0.0000177300000000 ] - [ -0.0017770700000000, 0.0005229200000000, -0.0000779200000000 ] - [ 0.0009390300000000, -0.0002391900000000, -0.0005207100000000 ] - [ 0.0002564800000000, -0.0000540500000000, -0.0001228500000000 ] - [ -0.0014920200000000, 0.0008233900000000, -0.0006994800000000 ] - [ -0.0003286500000000, -0.0007625900000000, 0.0005504900000000 ] - [ 0.0009859900000000, 0.0008323400000000, -0.0000050900000000 ] - [ -0.0013322600000000, 0.0004428800000000, -0.0003921300000000 ] - [ -0.0000994700000000, -0.0004814400000000, 0.0000499300000000 ] - [ 0.0000697700000000, 0.0006435900000000, 0.0001129200000000 ] - [ 0.0001780900000000, 0.0000323200000000, -0.0002527000000000 ] - [ -0.0027764400000000, -0.0032108800000000, -0.0005299900000000 ] - [ 0.0010450000000000, -0.0005893600000000, 0.0003668000000000 ] - [ -0.0000234200000000, -0.0010510600000000, -0.0000130700000000 ] - [ 0.0007999900000000, -0.0000597800000000, 0.0002166000000000 ] - [ -0.0005370800000000, -0.0008031000000000, 0.0014004800000000 ] - [ 0.0003256500000000, -0.0005143200000000, 0.0000556300000000 ] - [ -0.0014194100000000, -0.0005635400000000, -0.0002111000000000 ] - [ -0.0005913100000000, -0.0005634500000000, 0.0000617700000000 ] - [ -0.0001711000000000, 0.0001433300000000, -0.0001095800000000 ] - [ -0.0035071400000000, 0.0013403900000000, -0.0006338100000000 ] - [ 0.0012939500000000, -0.0002756200000000, -0.0005553300000000 ] - [ -0.0007049300000000, 0.0008434300000000, 0.0000967600000000 ] - [ -0.0016944500000000, -0.0007185500000000, -0.0029090900000000 ] - [ 0.0028525300000000, -0.0020008500000000, 0.0056674000000000 ] - [ -0.0005986200000000, -0.0003456300000000, 0.0000272500000000 ] - [ -0.0142184300000000, -0.0217716600000000, -0.0034032600000000 ] - [ 0.0001287600000000, 0.0012485300000000, -0.0004250000000000 ] - [ -0.0001945400000000, 0.0004037500000000, 0.0000176900000000 ] - [ -0.0011980500000000, 0.0004355300000000, -0.0000607200000000 ] - [ -0.0001312900000000, 0.0002763500000000, -0.0000989700000000 ] - [ -0.0006615600000000, -0.0000187200000000, -0.0000601900000000 ] - [ -0.0005693800000000, 0.0005211600000000, -0.0000642900000000 ] - [ -0.0013357600000000, -0.0008130800000000, 0.0001131900000000 ] - [ 0.0000133100000000, 0.0013822600000000, -0.0001089700000000 ] - [ -0.0007391500000000, -0.0000345200000000, 0.0001018900000000 ] - [ -0.0003767400000000, -0.0010387300000000, 0.0001774100000000 ] - [ -0.0001751800000000, 0.0002071600000000, 0.0001972600000000 ] - [ -0.0001552100000000, -0.0007117800000000, 0.0001542000000000 ] - [ 0.0007301800000000, 0.0004552800000000, 0.0000525500000000 ] - [ -0.0000597600000000, -0.0000481300000000, 0.0008068600000000 ] - [ -0.0194878300000000, -0.0078182000000000, 0.0017238100000000 ] - [ 0.0007935500000000, 0.0003279000000000, -0.0001510700000000 ] - [ -0.0001880400000000, -0.0009429500000000, -0.0002092900000000 ] - [ -0.0002115100000000, 0.0000710300000000, -0.0000963900000000 ] - [ -0.0006864300000000, -0.0000068400000000, 0.0007598100000000 ] - [ 0.0001291400000000, -0.0011109200000000, 0.0000849200000000 ] - [ -0.0032717200000000, -0.0021851300000000, 0.0002922700000000 ] - [ -0.0000949500000000, -0.0019409100000000, 0.0000573900000000 ] - [ -0.0001703300000000, -0.0002121600000000, 0.0000301600000000 ] - [ 0.0004363300000000, -0.0002147100000000, -0.0000248600000000 ] - [ 0.0000934600000000, 0.0006576400000000, -0.0003977600000000 ] - [ -0.0005406500000000, 0.0001499700000000, -0.0002680100000000 ] - [ -0.0000008400000000, 0.0002942500000000, 0.0008599600000000 ] - [ -0.0001957500000000, -0.0007252000000000, -0.0000251100000000 ] - [ -0.0004296900000000, -0.0008603000000000, -0.0004712400000000 ] - [ 0.0084095000000000, -0.0031228100000000, -0.0064792700000000 ] - [ -0.0001789500000000, 0.0002075300000000, -0.0002085900000000 ] - [ -0.0006437900000000, 0.0001469200000000, -0.0000771700000000 ] - [ 0.0007168700000000, -0.0001736600000000, 0.0011711900000000 ] - [ 0.0001296100000000, -0.0001469800000000, 0.0000731800000000 ] - [ -0.0006352700000000, -0.0000590900000000, -0.0003398300000000 ] - [ -0.0000498900000000, 0.0001693000000000, -0.0000182400000000 ] - [ -0.0002467600000000, -0.0001530200000000, -0.0000466200000000 ] - [ -0.0001940500000000, -0.0003818100000000, -0.0001190900000000 ] - [ -0.0013126300000000, 0.0000040300000000, -0.0028389600000000 ] - [ 0.0002162700000000, 0.0008406300000000, 0.0000993900000000 ] - [ 0.0000620400000000, -0.0000579100000000, 0.0001850000000000 ] - [ -0.0006438400000000, -0.0006792700000000, -0.0006016400000000 ] - [ -0.0006795300000000, -0.0003635600000000, 0.0000148100000000 ] - [ -0.0005044700000000, 0.0006079100000000, -0.0005595000000000 ] - [ 0.0017958600000000, 0.0016174800000000, -0.0003087800000000 ] - [ -0.0038081400000000, 0.0018498500000000, 0.0002817000000000 ] - [ 0.0000313000000000, 0.0016358100000000, -0.0001439300000000 ] - [ 0.0019594100000000, -0.0003545100000000, 0.0011231600000000 ] - [ -0.0002976200000000, 0.0007905700000000, 0.0001119200000000 ] - [ 0.0002245400000000, -0.0000378600000000, -0.0000078100000000 ] - [ -0.0011117100000000, 0.0001649200000000, 0.0002287000000000 ] - [ 0.0012559100000000, 0.0003849300000000, -0.0002576400000000 ] - [ 0.0020212800000000, 0.0018435600000000, 0.0001989500000000 ] - [ 0.0002275400000000, -0.0000538600000000, -0.0000294200000000 ] - [ 0.0008676200000000, -0.0011474800000000, 0.0000225800000000 ] - [ -0.0001071300000000, -0.0003643200000000, 0.0001475000000000 ] - [ -0.0012578700000000, 0.0007284300000000, 0.0001978900000000 ] - [ -0.0009323000000000, 0.0007939800000000, 0.0013869700000000 ] - [ -0.0007711800000000, -0.0008914700000000, -0.0003880800000000 ] - [ 0.0008184100000000, -0.0005593800000000, -0.0004017600000000 ] - [ -0.0010841900000000, 0.0006154000000000, 0.0000600700000000 ] - [ -0.0008676900000000, -0.0004257400000000, 0.0001403600000000 ]- atom: 76 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0003688000000000, -0.0001972000000000, 0.0000847500000000 ] - [ -0.0012170400000000, -0.0003450200000000, 0.0005428000000000 ] - [ 0.0004172300000000, -0.0007493100000000, 0.0001186100000000 ] - [ 0.0000004200000000, 0.0001568000000000, 0.0002216600000000 ] - [ -0.0004058800000000, -0.0005005800000000, -0.0000154500000000 ] - [ -0.0002320800000000, -0.0004022800000000, 0.0002390200000000 ] - [ -0.0000690700000000, 0.0002746900000000, 0.0000372400000000 ] - [ 0.0005152300000000, -0.0002247500000000, 0.0001616700000000 ] - [ 0.0004622400000000, -0.0007834800000000, 0.0002271900000000 ] - [ -0.0001919400000000, -0.0004604200000000, 0.0002674400000000 ] - [ -0.0018277000000000, 0.0038738000000000, 0.0012439100000000 ] - [ 0.0004759300000000, -0.0007925500000000, -0.0001429200000000 ] - [ -0.0013389700000000, -0.0003290400000000, -0.0005638200000000 ] - [ -0.0011145000000000, -0.0006130400000000, -0.0003271000000000 ] - [ 0.0020513600000000, 0.0017592100000000, 0.0030575100000000 ] - [ 0.0024805400000000, 0.0003783000000000, 0.0029347800000000 ] - [ 0.0003325700000000, -0.0001967600000000, 0.0001428800000000 ] - [ -0.0014683900000000, -0.0005673700000000, 0.0011949400000000 ] - [ 0.0014509700000000, 0.0011737500000000, -0.0012081000000000 ] - [ 0.0003449200000000, -0.0000727700000000, 0.0000596900000000 ] - [ 0.0006033100000000, -0.0009000900000000, 0.0002869400000000 ] - [ 0.0000249300000000, 0.0003651500000000, 0.0000263500000000 ] - [ -0.0002334500000000, -0.0005791900000000, 0.0000170300000000 ] - [ -0.0001477300000000, 0.0002419600000000, 0.0000313600000000 ] - [ 0.0008754900000000, -0.0020284700000000, -0.0004136500000000 ] - [ 0.0014722800000000, -0.0004412600000000, 0.0004549700000000 ] - [ -0.0003302500000000, -0.0012854900000000, -0.0001733500000000 ] - [ 0.0032593900000000, -0.0095068100000000, -0.0039023000000000 ] - [ -0.0012095500000000, -0.0008466200000000, 0.0004628000000000 ] - [ -0.0006732600000000, -0.0007946800000000, -0.0001491000000000 ] - [ -0.0019981400000000, 0.0013120400000000, 0.0003350800000000 ] - [ -0.0002049800000000, 0.0041095300000000, -0.0052877500000000 ] - [ 0.0003311800000000, -0.0010065400000000, 0.0004531100000000 ] - [ 0.0001117400000000, -0.0009221600000000, -0.0001829900000000 ] - [ 0.0001755800000000, -0.0002724200000000, -0.0016044900000000 ] - [ 0.0004112200000000, 0.0001314600000000, -0.0000254200000000 ] - [ -0.0001241600000000, -0.0002158300000000, 0.0003963300000000 ] - [ 0.0109648200000000, 0.0468700000000000, -0.0154763200000000 ] - [ 0.0035457100000000, -0.0014267700000000, -0.0001280300000000 ] - [ -0.0002641600000000, -0.0003900700000000, -0.0001189000000000 ] - [ -0.0033643500000000, 0.0051616100000000, -0.0003488100000000 ] - [ -0.0012498500000000, -0.0002478500000000, -0.0000314300000000 ] - [ 0.0011176900000000, 0.0012003800000000, 0.0005060700000000 ] - [ -0.0006432800000000, -0.0020608000000000, 0.0001018500000000 ] - [ 0.0010437800000000, -0.0012070900000000, -0.0001034100000000 ] - [ 0.0004739000000000, 0.0008261200000000, -0.0002213500000000 ] - [ -0.0006685800000000, -0.0015577700000000, 0.0003265000000000 ] - [ 0.0015849900000000, 0.0008404500000000, -0.0005675600000000 ] - [ 0.0000969900000000, -0.0010202900000000, -0.0005865200000000 ] - [ 0.0043437000000000, -0.0000220100000000, 0.0010487400000000 ] - [ 0.0003975200000000, 0.0006760300000000, -0.0005696100000000 ] - [ -0.0006238400000000, 0.0009248300000000, -0.0000543900000000 ] - [ -0.0019423500000000, 0.0051628100000000, 0.0044515200000000 ] - [ 0.0046555500000000, -0.0089155500000000, -0.0015001200000000 ] - [ -0.0013637100000000, -0.0028501200000000, 0.0004157600000000 ] - [ 0.0019627700000000, 0.0007570700000000, -0.0006941500000000 ] - [ 0.0014737700000000, -0.0002553100000000, -0.0012639200000000 ] - [ -0.0006588700000000, 0.0005420500000000, 0.0002319900000000 ] - [ -0.0009603300000000, -0.0018152500000000, 0.0004797800000000 ] - [ 0.0011212200000000, -0.0025753700000000, 0.0002708900000000 ] - [ 0.0127942300000000, 0.1501097300000000, 0.0444653300000000 ] - [ 0.0002000400000000, 0.0004686700000000, -0.0003444200000000 ] - [ -0.0006184100000000, -0.0010207800000000, -0.0004626000000000 ] - [ -0.0013502400000000, -0.0005279600000000, -0.0005032600000000 ] - [ 0.0011057600000000, -0.0015766800000000, -0.0006103200000000 ] - [ -0.0019572400000000, -0.0007541000000000, 0.0001813700000000 ] - [ 0.0002325100000000, -0.0009414500000000, -0.0007287200000000 ] - [ 0.0008189300000000, 0.0011640800000000, 0.0003774200000000 ] - [ 0.0009649200000000, -0.0007627300000000, -0.0005268500000000 ] - [ 0.0014154100000000, -0.0006014900000000, -0.0026969100000000 ] - [ -0.0010618700000000, -0.0006189000000000, 0.0003362000000000 ] - [ -0.0000148100000000, 0.0015398500000000, 0.0008019400000000 ] - [ 0.0008805600000000, 0.0005368600000000, 0.0001874300000000 ] - [ -0.0031249300000000, 0.0338046200000000, 0.0044749500000000 ] - [ -0.0002768500000000, -0.0003049700000000, 0.0000551500000000 ] - [ -0.0502133400000000, -0.2395848700000000, -0.0426350600000000 ] - [ 0.0045318600000000, 0.0144914700000000, 0.0004144800000000 ] - [ 0.0001257500000000, 0.0003023300000000, -0.0000469400000000 ] - [ -0.0002369200000000, 0.0011536500000000, -0.0003528400000000 ] - [ -0.0011274300000000, 0.0005439600000000, 0.0000824400000000 ] - [ -0.0009507900000000, -0.0000978200000000, -0.0000506700000000 ] - [ -0.0008747400000000, 0.0019330200000000, 0.0022935900000000 ] - [ -0.0005614200000000, 0.0004417100000000, -0.0003180600000000 ] - [ -0.0003793300000000, -0.0006185800000000, 0.0000937200000000 ] - [ 0.0006101000000000, -0.0002815500000000, 0.0001060600000000 ] - [ -0.0008600100000000, 0.0008958400000000, 0.0001812800000000 ] - [ -0.0002794300000000, -0.0003480300000000, -0.0002669000000000 ] - [ 0.0004313300000000, 0.0005500800000000, -0.0001450300000000 ] - [ -0.0011754100000000, 0.0003968700000000, 0.0006516200000000 ] - [ 0.0002957600000000, 0.0012206600000000, -0.0007190100000000 ] - [ 0.0003191400000000, -0.0008112600000000, -0.0001647900000000 ] - [ 0.0015160000000000, -0.0023269700000000, 0.0016029900000000 ] - [ 0.0010712500000000, 0.0010582800000000, -0.0000946400000000 ] - [ 0.0023734000000000, -0.0010167400000000, -0.0012666500000000 ] - [ 0.0006811100000000, 0.0000222500000000, 0.0006345400000000 ] - [ 0.0005714500000000, 0.0010964900000000, 0.0002816200000000 ] - [ 0.0004450600000000, 0.0003630600000000, -0.0001196200000000 ] - [ 0.0005669200000000, -0.0000490500000000, -0.0001378700000000 ] - [ -0.0040140000000000, 0.0014396800000000, -0.0005914900000000 ] - [ 0.0001777800000000, -0.0011377400000000, -0.0001481800000000 ] - [ -0.0001311800000000, 0.0003148000000000, 0.0007380800000000 ] - [ -0.0001478300000000, 0.0006008100000000, 0.0001032000000000 ] - [ 0.0002951900000000, -0.0015345400000000, -0.0001184000000000 ] - [ 0.0041854400000000, -0.0007189100000000, -0.0102917700000000 ] - [ -0.0003342400000000, 0.0002466700000000, 0.0000647200000000 ] - [ 0.0116890300000000, -0.0021182800000000, 0.0016643100000000 ] - [ -0.0003478200000000, 0.0019476900000000, -0.0005571600000000 ] - [ -0.0015663400000000, 0.0013765300000000, 0.0001699300000000 ] - [ -0.0003520600000000, -0.0012126200000000, 0.0001383000000000 ] - [ -0.0005323200000000, 0.0008399900000000, -0.0001081300000000 ] - [ -0.0000727700000000, -0.0002532100000000, -0.0001116500000000 ] - [ 0.0000207400000000, 0.0002416600000000, 0.0000367700000000 ] - [ 0.0001985100000000, -0.0003980700000000, 0.0000858000000000 ] - [ -0.0012345000000000, -0.0006489500000000, -0.0000104800000000 ] - [ -0.0003021800000000, 0.0007915900000000, 0.0001264800000000 ] - [ 0.0000730000000000, 0.0000192100000000, 0.0000862900000000 ] - [ -0.0009916800000000, 0.0005503000000000, 0.0003207000000000 ] - [ 0.0005230200000000, 0.0001942000000000, -0.0000417700000000 ] - [ 0.0003328700000000, 0.0016970700000000, 0.0005496200000000 ] - [ -0.0002291900000000, 0.0004626800000000, 0.0008451300000000 ] - [ -0.0001836900000000, -0.0058324600000000, -0.0000631000000000 ] - [ 0.0012774500000000, 0.0048390000000000, -0.0007109900000000 ] - [ 0.0004848100000000, 0.0003141500000000, -0.0001783300000000 ] - [ 0.0010955100000000, 0.0003911600000000, -0.0004521300000000 ] - [ -0.0002176900000000, -0.0001668800000000, 0.0007816500000000 ] - [ 0.0010331500000000, 0.0005762100000000, 0.0000147400000000 ] - [ 0.0009685800000000, -0.0008057400000000, -0.0000145100000000 ] - [ 0.0007646400000000, -0.0000717500000000, -0.0001485200000000 ] - [ 0.0004924800000000, 0.0008734700000000, 0.0002126000000000 ] - [ 0.0002537300000000, 0.0014463400000000, 0.0000717100000000 ] - [ -0.0010471100000000, 0.0002658100000000, -0.0007841800000000 ] - [ -0.0000449600000000, -0.0000717300000000, -0.0002222000000000 ] - [ -0.0004398900000000, 0.0005822300000000, 0.0009348800000000 ] - [ 0.0013172000000000, 0.0008586000000000, 0.0001390700000000 ] - [ 0.0005024900000000, -0.0005916700000000, 0.0000538500000000 ] - [ 0.0065327500000000, 0.0011016800000000, 0.0149052600000000 ] - [ -0.0006968000000000, 0.0006183700000000, -0.0001322000000000 ] - [ -0.0000683200000000, 0.0000125500000000, 0.0000115600000000 ] - [ -0.0003783900000000, 0.0017649400000000, 0.0037239700000000 ] - [ 0.0009861700000000, 0.0011693700000000, 0.0001577700000000 ] - [ -0.0000036500000000, 0.0002784100000000, -0.0001747100000000 ] - [ -0.0007887700000000, 0.0005473100000000, -0.0001091600000000 ] - [ -0.0003657700000000, 0.0004939000000000, -0.0001087900000000 ] - [ 0.0005667300000000, 0.0005627100000000, -0.0003177200000000 ] - [ 0.0006500100000000, -0.0018044600000000, 0.0001299000000000 ] - [ -0.0007793400000000, -0.0004686400000000, 0.0000546800000000 ] - [ 0.0004385100000000, 0.0011248600000000, -0.0001886600000000 ] - [ 0.0004870300000000, -0.0001561000000000, -0.0001884300000000 ] - [ -0.0001412500000000, 0.0005158600000000, 0.0000481700000000 ] - [ -0.0002068700000000, -0.0004565400000000, -0.0002391300000000 ] - [ -0.0005725500000000, -0.0045292800000000, -0.0004031500000000 ] - [ -0.0009895300000000, -0.0023745900000000, -0.0006573000000000 ] - [ -0.0010854500000000, -0.0002774000000000, 0.0000701000000000 ] - [ 0.0007548500000000, -0.0007038500000000, 0.0002090300000000 ] - [ -0.0014497700000000, 0.0010501700000000, 0.0001393700000000 ] - [ -0.0001372300000000, 0.0012208200000000, -0.0000774200000000 ] - [ -0.0006760700000000, -0.0002727500000000, 0.0001317800000000 ] - [ -0.0009697100000000, -0.0000017300000000, 0.0002724600000000 ] - [ -0.0031671800000000, 0.0032109400000000, 0.0001754800000000 ] - [ -0.0002389500000000, 0.0003210300000000, 0.0000071100000000 ] - [ -0.0000015700000000, 0.0035163100000000, -0.0010769600000000 ] - [ -0.0006246300000000, 0.0002482200000000, 0.0000534800000000 ] - [ -0.0003565600000000, 0.0004329100000000, 0.0000283600000000 ] - [ -0.0006172500000000, -0.0002855800000000, 0.0010239100000000 ] - [ -0.0002887300000000, -0.0011566300000000, -0.0004366700000000 ] - [ 0.0001876000000000, 0.0011829600000000, -0.0000612400000000 ] - [ -0.0004047500000000, 0.0001664000000000, 0.0000353900000000 ] - [ -0.0004003600000000, 0.0004313800000000, 0.0002077300000000 ]- atom: 76 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0004167400000000, 0.0002293600000000, 0.0001423100000000 ] - [ 0.0012176400000000, 0.0003374300000000, -0.0004194500000000 ] - [ -0.0003044800000000, 0.0008975800000000, 0.0003406200000000 ] - [ -0.0001152300000000, -0.0003042300000000, 0.0002382700000000 ] - [ 0.0001114300000000, 0.0002936400000000, 0.0000487900000000 ] - [ 0.0004170600000000, 0.0003804900000000, 0.0002208100000000 ] - [ 0.0000700500000000, -0.0002744300000000, 0.0000702300000000 ] - [ -0.0004695200000000, 0.0001911100000000, 0.0000649800000000 ] - [ -0.0004613100000000, 0.0007805800000000, -0.0001183200000000 ] - [ 0.0002633000000000, 0.0002901700000000, 0.0001926100000000 ] - [ 0.0022247100000000, -0.0037013900000000, -0.0013352800000000 ] - [ -0.0004739000000000, 0.0007921600000000, 0.0001948400000000 ] - [ 0.0013426300000000, 0.0003256900000000, 0.0006886700000000 ] - [ 0.0010602900000000, 0.0005942500000000, 0.0005535100000000 ] - [ -0.0022467600000000, -0.0017025300000000, -0.0026014600000000 ] - [ -0.0025545400000000, -0.0002166100000000, -0.0024870900000000 ] - [ -0.0003366900000000, 0.0001420600000000, 0.0000835000000000 ] - [ 0.0015091300000000, 0.0005928100000000, -0.0009650200000000 ] - [ -0.0014806600000000, -0.0008029600000000, 0.0012389800000000 ] - [ -0.0003388800000000, 0.0001303700000000, 0.0001659900000000 ] - [ -0.0002758900000000, 0.0007486200000000, -0.0002530400000000 ] - [ -0.0000258400000000, -0.0003671400000000, 0.0000266600000000 ] - [ 0.0002669500000000, 0.0002216000000000, 0.0000172800000000 ] - [ -0.0001812600000000, -0.0000896700000000, 0.0000033000000000 ] - [ -0.0010082000000000, 0.0007484800000000, -0.0000876300000000 ] - [ -0.0017351100000000, 0.0008011000000000, -0.0004966800000000 ] - [ 0.0016323700000000, 0.0001853200000000, 0.0000652000000000 ] - [ -0.0020814000000000, 0.0099967200000000, 0.0033733600000000 ] - [ 0.0011871400000000, 0.0008935300000000, 0.0003396000000000 ] - [ 0.0003576200000000, -0.0008767700000000, 0.0000443900000000 ] - [ 0.0003903000000000, -0.0018807000000000, -0.0004430900000000 ] - [ 0.0002309300000000, -0.0041522700000000, 0.0061283100000000 ] - [ -0.0003783300000000, 0.0010188600000000, 0.0003504200000000 ] - [ -0.0011621300000000, 0.0016746500000000, -0.0003155000000000 ] - [ 0.0001391800000000, 0.0019267300000000, 0.0015026300000000 ] - [ -0.0008459700000000, -0.0001957500000000, -0.0000162600000000 ] - [ 0.0001413900000000, 0.0002554100000000, 0.0004032500000000 ] - [ -0.0128622600000000, -0.0458680700000000, 0.0156063400000000 ] - [ -0.0035784500000000, 0.0013885400000000, 0.0009310500000000 ] - [ 0.0005325800000000, 0.0000349600000000, 0.0000732700000000 ] - [ 0.0035741900000000, -0.0047706200000000, 0.0003195500000000 ] - [ 0.0000808100000000, -0.0002821400000000, -0.0004677200000000 ] - [ -0.0010685600000000, -0.0011966100000000, 0.0002959500000000 ] - [ 0.0022479600000000, 0.0026331100000000, -0.0002064100000000 ] - [ -0.0006109500000000, 0.0012699900000000, 0.0000625200000000 ] - [ -0.0003388900000000, 0.0004537200000000, -0.0002792500000000 ] - [ 0.0004874000000000, 0.0011403000000000, -0.0003602700000000 ] - [ -0.0005390800000000, -0.0016014000000000, 0.0000707300000000 ] - [ 0.0001688200000000, -0.0000170600000000, -0.0005489500000000 ] - [ -0.0026589400000000, 0.0004077300000000, -0.0003691600000000 ] - [ -0.0006174200000000, -0.0000456700000000, -0.0007052300000000 ] - [ 0.0018002600000000, -0.0021696200000000, 0.0007273000000000 ] - [ 0.0025997900000000, -0.0057190000000000, -0.0040508100000000 ] - [ -0.0048008600000000, 0.0081049900000000, 0.0018558800000000 ] - [ 0.0001863300000000, 0.0040781900000000, 0.0002553000000000 ] - [ -0.0012504500000000, -0.0008811200000000, -0.0005715900000000 ] - [ -0.0017435200000000, 0.0012899900000000, 0.0001312700000000 ] - [ 0.0008164600000000, 0.0002797800000000, 0.0001198100000000 ] - [ 0.0001840900000000, 0.0015238700000000, -0.0001316800000000 ] - [ -0.0016225200000000, 0.0009484000000000, 0.0004015800000000 ] - [ -0.0112574800000000, -0.1446480100000000, -0.0431225900000000 ] - [ -0.0009454900000000, -0.0012314200000000, -0.0007917700000000 ] - [ 0.0016705700000000, 0.0007411000000000, -0.0006743900000000 ] - [ 0.0009363600000000, -0.0000354100000000, -0.0007699000000000 ] - [ -0.0008849400000000, 0.0009474100000000, -0.0006650100000000 ] - [ 0.0012982300000000, 0.0013082900000000, 0.0001779400000000 ] - [ -0.0009513300000000, 0.0010562700000000, -0.0005379700000000 ] - [ -0.0003214200000000, 0.0004627100000000, 0.0002939700000000 ] - [ -0.0002187700000000, 0.0015346800000000, -0.0006091800000000 ] - [ -0.0010026300000000, 0.0011853300000000, 0.0014143000000000 ] - [ -0.0006013300000000, 0.0002428100000000, 0.0003378800000000 ] - [ 0.0007429100000000, -0.0012642200000000, -0.0004955000000000 ] - [ -0.0002649500000000, -0.0002395700000000, -0.0000083200000000 ] - [ 0.0037898100000000, -0.0328038300000000, -0.0041796800000000 ] - [ 0.0011379500000000, 0.0005575000000000, 0.0002094400000000 ] - [ 0.0473145100000000, 0.2345324500000000, 0.0400947200000000 ] - [ -0.0044491100000000, -0.0147514700000000, -0.0004562100000000 ] - [ 0.0000604200000000, -0.0000190000000000, -0.0000733000000000 ] - [ 0.0003001700000000, -0.0006613200000000, 0.0000160600000000 ] - [ 0.0000343700000000, -0.0005810500000000, -0.0000845800000000 ] - [ 0.0002412500000000, 0.0003458500000000, -0.0000014400000000 ] - [ 0.0003066600000000, -0.0015476000000000, -0.0021242500000000 ] - [ 0.0011772400000000, -0.0014213300000000, 0.0003379700000000 ] - [ -0.0010195500000000, 0.0015185600000000, -0.0008098400000000 ] - [ -0.0000420100000000, -0.0001022400000000, 0.0000690400000000 ] - [ 0.0008468400000000, 0.0000155400000000, -0.0001026200000000 ] - [ 0.0013753800000000, 0.0003880900000000, 0.0002660000000000 ] - [ -0.0005861600000000, -0.0002485900000000, 0.0000243200000000 ] - [ 0.0009929500000000, -0.0006798900000000, -0.0007758800000000 ] - [ -0.0002035600000000, -0.0008481300000000, 0.0002847500000000 ] - [ -0.0002552500000000, 0.0010482400000000, 0.0001276300000000 ] - [ -0.0013015100000000, 0.0018332600000000, -0.0015187800000000 ] - [ -0.0005358400000000, -0.0008795900000000, -0.0000398400000000 ] - [ -0.0021481900000000, 0.0010805400000000, 0.0012181900000000 ] - [ -0.0005258500000000, 0.0000044800000000, 0.0009852200000000 ] - [ -0.0006242500000000, -0.0013146000000000, -0.0003235600000000 ] - [ -0.0008325400000000, -0.0000686700000000, -0.0002107100000000 ] - [ -0.0001372200000000, -0.0003275600000000, 0.0000038300000000 ] - [ 0.0025192100000000, -0.0021864900000000, -0.0001202600000000 ] - [ -0.0002727500000000, 0.0005729700000000, 0.0000125400000000 ] - [ 0.0000201300000000, 0.0003882800000000, -0.0007889800000000 ] - [ 0.0003628300000000, 0.0002736200000000, 0.0001643200000000 ] - [ -0.0003385800000000, 0.0008523100000000, 0.0003094000000000 ] - [ -0.0048233300000000, 0.0004653300000000, 0.0104421600000000 ] - [ -0.0002291400000000, -0.0007311600000000, -0.0001142300000000 ] - [ -0.0110256300000000, 0.0014170700000000, -0.0013964000000000 ] - [ 0.0004283000000000, -0.0002928000000000, -0.0001573800000000 ] - [ 0.0012585100000000, -0.0018290100000000, -0.0000857100000000 ] - [ -0.0004428500000000, 0.0007599900000000, -0.0000552200000000 ] - [ 0.0000759900000000, -0.0010347700000000, -0.0002277500000000 ] - [ 0.0005299900000000, 0.0004472600000000, -0.0002248200000000 ] - [ 0.0002914400000000, 0.0002088600000000, 0.0000474800000000 ] - [ -0.0001831900000000, -0.0005110800000000, -0.0000074300000000 ] - [ 0.0017725000000000, 0.0005881100000000, 0.0000977700000000 ] - [ -0.0003625100000000, -0.0003482600000000, 0.0001324100000000 ] - [ -0.0007995100000000, -0.0003722200000000, 0.0001762400000000 ] - [ 0.0007789900000000, -0.0014225000000000, -0.0000545200000000 ] - [ -0.0006917400000000, -0.0000368700000000, -0.0000008100000000 ] - [ 0.0002032100000000, -0.0007180400000000, -0.0005473900000000 ] - [ 0.0003396300000000, -0.0005885300000000, 0.0007798700000000 ] - [ 0.0006315800000000, 0.0057959900000000, -0.0002015100000000 ] - [ -0.0013322900000000, -0.0049176200000000, 0.0007213300000000 ] - [ -0.0005794700000000, -0.0000160900000000, -0.0001053800000000 ] - [ 0.0003738900000000, 0.0003659600000000, -0.0002595800000000 ] - [ 0.0001632200000000, 0.0000157400000000, 0.0008337700000000 ] - [ -0.0002465100000000, -0.0010346500000000, 0.0000646900000000 ] - [ -0.0015106100000000, -0.0001767100000000, 0.0000165300000000 ] - [ -0.0006455400000000, -0.0006486900000000, 0.0001063100000000 ] - [ -0.0011427900000000, -0.0002579900000000, 0.0000501100000000 ] - [ 0.0005427100000000, -0.0009994600000000, 0.0000113200000000 ] - [ 0.0013204700000000, -0.0005310100000000, 0.0003475700000000 ] - [ 0.0004104500000000, 0.0001811800000000, -0.0002057900000000 ] - [ 0.0004931600000000, -0.0004325200000000, 0.0006808600000000 ] - [ -0.0015429000000000, -0.0009207300000000, -0.0001819500000000 ] - [ -0.0004357000000000, 0.0007017900000000, -0.0000390400000000 ] - [ -0.0063160600000000, -0.0014786100000000, -0.0150162200000000 ] - [ 0.0003327400000000, -0.0007274100000000, -0.0002965100000000 ] - [ 0.0001421000000000, -0.0001384800000000, 0.0000046600000000 ] - [ 0.0002273800000000, -0.0017895200000000, -0.0020795600000000 ] - [ -0.0012001000000000, -0.0006699500000000, -0.0000696200000000 ] - [ -0.0002755900000000, -0.0000165000000000, -0.0002576100000000 ] - [ 0.0009224400000000, -0.0005498400000000, 0.0001244900000000 ] - [ 0.0000255400000000, -0.0004802400000000, -0.0000130600000000 ] - [ -0.0009115200000000, -0.0004986400000000, 0.0000521300000000 ] - [ -0.0007435600000000, 0.0014405600000000, -0.0005637500000000 ] - [ 0.0014500000000000, 0.0000295400000000, 0.0002045400000000 ] - [ -0.0003881900000000, -0.0004424500000000, 0.0003655900000000 ] - [ -0.0002714700000000, 0.0004121000000000, -0.0000805900000000 ] - [ -0.0004047400000000, -0.0004680600000000, 0.0000373600000000 ] - [ 0.0005461200000000, 0.0004369600000000, 0.0001179800000000 ] - [ 0.0000390700000000, 0.0043484500000000, 0.0002645300000000 ] - [ 0.0009289500000000, 0.0018929500000000, 0.0003215800000000 ] - [ 0.0016563100000000, 0.0007682100000000, -0.0001208800000000 ] - [ -0.0006698300000000, 0.0004197500000000, -0.0005068600000000 ] - [ 0.0013702700000000, -0.0009254500000000, -0.0001236800000000 ] - [ 0.0002487000000000, -0.0006659400000000, -0.0000631000000000 ] - [ 0.0005457900000000, 0.0002770000000000, -0.0001163000000000 ] - [ 0.0013542800000000, -0.0002987300000000, -0.0006018600000000 ] - [ 0.0027447200000000, -0.0028530800000000, -0.0003117600000000 ] - [ 0.0009482900000000, -0.0005712700000000, -0.0000595900000000 ] - [ -0.0002138200000000, -0.0037753600000000, 0.0008089400000000 ] - [ 0.0005910700000000, -0.0010526600000000, 0.0002063600000000 ] - [ -0.0002607900000000, 0.0005452000000000, -0.0000074700000000 ] - [ 0.0005091300000000, 0.0004148800000000, 0.0005997700000000 ] - [ 0.0002070500000000, -0.0004980800000000, -0.0002768100000000 ] - [ 0.0012074000000000, -0.0020748700000000, -0.0006503400000000 ] - [ 0.0004377700000000, 0.0006358100000000, 0.0002249900000000 ] - [ -0.0004628700000000, -0.0006896800000000, 0.0000570400000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000645400000000, -0.0000396300000000, 0.0001004700000000 ] - [ 0.0003094400000000, 0.0005257200000000, 0.0002854800000000 ] - [ 0.0000473500000000, -0.0000119700000000, 0.0001984500000000 ] - [ 0.0000054800000000, -0.0000889400000000, 0.0002312800000000 ] - [ -0.0001405200000000, -0.0001417500000000, 0.0000301900000000 ] - [ 0.0000444800000000, -0.0000190500000000, 0.0002472500000000 ] - [ -0.0000667800000000, 0.0000427500000000, 0.0000984400000000 ] - [ 0.0000688400000000, -0.0000427200000000, 0.0001288000000000 ] - [ 0.0000849400000000, -0.0000143400000000, 0.0000074600000000 ] - [ 0.0000497300000000, -0.0001156200000000, 0.0002220300000000 ] - [ -0.0015289300000000, 0.0010731600000000, 0.0028602500000000 ] - [ 0.0001134600000000, -0.0000981700000000, 0.0000708800000000 ] - [ -0.0002348000000000, -0.0002040600000000, -0.0001370200000000 ] - [ -0.0005141500000000, -0.0005573300000000, 0.0003145600000000 ] - [ -0.0027540100000000, 0.0018842600000000, -0.0010947700000000 ] - [ -0.0020234300000000, 0.0013474800000000, -0.0002830800000000 ] - [ -0.0000170000000000, -0.0000276200000000, 0.0000987300000000 ] - [ 0.0001640300000000, 0.0005892000000000, -0.0002048500000000 ] - [ 0.0012718500000000, -0.0002930300000000, -0.0001201200000000 ] - [ 0.0000163000000000, 0.0000190800000000, 0.0001299200000000 ] - [ 0.0001400300000000, -0.0000942700000000, 0.0000713000000000 ] - [ 0.0000545600000000, 0.0000898600000000, -0.0000236500000000 ] - [ -0.0000212600000000, -0.0001832800000000, 0.0000002100000000 ] - [ -0.0001540200000000, 0.0000493900000000, 0.0000113400000000 ] - [ -0.0000597000000000, -0.0006552700000000, -0.0001957200000000 ] - [ 0.0001253800000000, 0.0002461700000000, -0.0005890900000000 ] - [ 0.0005841900000000, -0.0005466800000000, -0.0001209800000000 ] - [ 0.0011157100000000, 0.0004205400000000, 0.0007011500000000 ] - [ -0.0000759800000000, 0.0000010900000000, 0.0003989800000000 ] - [ -0.0000533900000000, -0.0008182600000000, -0.0000135200000000 ] - [ -0.0004256200000000, -0.0007412300000000, -0.0011284900000000 ] - [ -0.0000491100000000, 0.0019590600000000, -0.0114772100000000 ] - [ -0.0000606400000000, -0.0000084000000000, 0.0004193600000000 ] - [ -0.0004118600000000, 0.0002638200000000, -0.0002146600000000 ] - [ -0.0002518700000000, 0.0008143400000000, -0.0009497200000000 ] - [ -0.0000332700000000, -0.0000526300000000, 0.0000170000000000 ] - [ 0.0000958600000000, -0.0000393800000000, 0.0004021000000000 ] - [ -0.0313216200000000, -0.0363849600000000, 0.0418433300000000 ] - [ 0.0002935900000000, -0.0004208900000000, 0.0007468700000000 ] - [ 0.0000959300000000, -0.0001529900000000, 0.0000019500000000 ] - [ 0.0000121900000000, 0.0001964200000000, 0.0015699500000000 ] - [ -0.0008063100000000, -0.0003293000000000, -0.0004598400000000 ] - [ -0.0000783400000000, -0.0001043700000000, 0.0005819400000000 ] - [ 0.0005416300000000, 0.0001260500000000, 0.0000687400000000 ] - [ 0.0003283500000000, -0.0001268300000000, -0.0000687700000000 ] - [ 0.0000925400000000, 0.0006730300000000, -0.0002830400000000 ] - [ -0.0001662300000000, -0.0005216500000000, -0.0001228400000000 ] - [ 0.0008514200000000, -0.0001826400000000, -0.0006987700000000 ] - [ 0.0002504600000000, -0.0005959800000000, -0.0005456100000000 ] - [ 0.0007231800000000, 0.0003295700000000, 0.0006965200000000 ] - [ -0.0000892800000000, 0.0003588500000000, -0.0006252200000000 ] - [ -0.0005841200000000, -0.0002654800000000, -0.0006636000000000 ] - [ 0.0013158500000000, -0.0017760200000000, -0.0098472800000000 ] - [ 0.0004143000000000, -0.0017098700000000, 0.0004364000000000 ] - [ -0.0005377600000000, 0.0005553300000000, 0.0003248500000000 ] - [ 0.0011307200000000, -0.0004436300000000, -0.0003831900000000 ] - [ -0.0001469500000000, 0.0001797700000000, -0.0012516300000000 ] - [ 0.0002161500000000, 0.0004357000000000, 0.0001306600000000 ] - [ -0.0004558400000000, 0.0000188700000000, 0.0001937300000000 ] - [ -0.0000882700000000, -0.0009936200000000, 0.0003365900000000 ] - [ 0.0165149400000000, 0.0631669600000000, 0.0628623400000000 ] - [ -0.0003433700000000, -0.0004108200000000, -0.0008559800000000 ] - [ 0.0003672900000000, -0.0002288200000000, -0.0006675900000000 ] - [ -0.0002871900000000, -0.0000127100000000, -0.0007180800000000 ] - [ 0.0001633600000000, -0.0004094000000000, -0.0006098000000000 ] - [ -0.0004672600000000, 0.0002558200000000, 0.0001943700000000 ] - [ -0.0002059800000000, -0.0000903000000000, -0.0006355300000000 ] - [ 0.0003640300000000, 0.0008228800000000, 0.0003462600000000 ] - [ 0.0003421300000000, 0.0003307800000000, -0.0005317600000000 ] - [ 0.0014594000000000, -0.0012726000000000, -0.0010476800000000 ] - [ -0.0009131800000000, -0.0001928600000000, 0.0003636300000000 ] - [ 0.0004464600000000, -0.0001312400000000, 0.0017786800000000 ] - [ 0.0003491700000000, 0.0001660700000000, 0.0001189400000000 ] - [ 0.0016236500000000, -0.0046224800000000, -0.0071606600000000 ] - [ 0.0003451100000000, 0.0001215000000000, 0.0002682000000000 ] - [ 0.0193649100000000, -0.0362351800000000, -0.1127206300000000 ] - [ 0.0006944100000000, 0.0028153300000000, -0.0032766200000000 ] - [ 0.0000455500000000, 0.0001699600000000, -0.0000764800000000 ] - [ -0.0000417900000000, 0.0004174700000000, -0.0001884300000000 ] - [ -0.0006578300000000, 0.0000481800000000, 0.0000298800000000 ] - [ -0.0003682900000000, 0.0001369100000000, -0.0000494100000000 ] - [ -0.0001720200000000, 0.0004622400000000, 0.0003494200000000 ] - [ 0.0002058100000000, -0.0004291700000000, 0.0000713100000000 ] - [ -0.0004939200000000, 0.0000530200000000, 0.0000743300000000 ] - [ 0.0001971900000000, -0.0002009600000000, 0.0000840000000000 ] - [ 0.0001865500000000, 0.0004554900000000, 0.0003557200000000 ] - [ 0.0002055200000000, 0.0000232300000000, -0.0001493300000000 ] - [ -0.0000373000000000, 0.0001604300000000, 0.0000044700000000 ] - [ -0.0003266900000000, 0.0002992100000000, 0.0001675200000000 ] - [ 0.0000378700000000, 0.0002469500000000, -0.0001356100000000 ] - [ -0.0001816900000000, -0.0000248600000000, -0.0002890600000000 ] - [ 0.0013144400000000, -0.0014063300000000, 0.0030280900000000 ] - [ 0.0003243000000000, 0.0001251400000000, -0.0000683400000000 ] - [ -0.0015516900000000, 0.0001037100000000, 0.0019508600000000 ] - [ 0.0001073900000000, -0.0000524000000000, 0.0009241500000000 ] - [ 0.0000880400000000, -0.0002697500000000, 0.0001918800000000 ] - [ -0.0001520500000000, 0.0000958200000000, -0.0001468300000000 ] - [ 0.0001381900000000, -0.0001786000000000, -0.0000593700000000 ] - [ -0.0007564900000000, -0.0005838800000000, -0.0005865200000000 ] - [ -0.0002547300000000, -0.0001900600000000, -0.0002940200000000 ] - [ -0.0008715300000000, 0.0017265600000000, 0.0027708700000000 ] - [ 0.0000055800000000, 0.0005111200000000, 0.0001145900000000 ] - [ 0.0007677900000000, 0.0001726200000000, -0.0000780700000000 ] - [ -0.0048195400000000, -0.0073697200000000, 0.0130157800000000 ] - [ -0.0003322300000000, -0.0001781200000000, -0.0000066900000000 ] - [ -0.0028946900000000, -0.0027508500000000, -0.0074291500000000 ] - [ 0.0000013500000000, 0.0009018000000000, -0.0003919500000000 ] - [ -0.0002744900000000, -0.0000273700000000, 0.0000009000000000 ] - [ -0.0005433600000000, -0.0000992500000000, 0.0003576600000000 ] - [ -0.0002429400000000, -0.0000165400000000, -0.0001575300000000 ] - [ 0.0001698000000000, 0.0000704600000000, -0.0001625700000000 ] - [ 0.0000938900000000, 0.0002694000000000, 0.0000423400000000 ] - [ -0.0000817000000000, -0.0004401000000000, 0.0000315700000000 ] - [ 0.0003387200000000, -0.0000015000000000, -0.0002200000000000 ] - [ -0.0003761900000000, 0.0002686100000000, 0.0001257700000000 ] - [ -0.0002705400000000, -0.0001430300000000, 0.0001808000000000 ] - [ -0.0001792700000000, -0.0002859600000000, 0.0002387800000000 ] - [ -0.0001276700000000, 0.0000433900000000, 0.0000384600000000 ] - [ 0.0001841400000000, 0.0009734500000000, 0.0001644700000000 ] - [ -0.0000018400000000, -0.0000023100000000, 0.0007899500000000 ] - [ -0.0019739300000000, -0.0006552700000000, -0.0045693900000000 ] - [ -0.0000888700000000, -0.0001502900000000, -0.0000673600000000 ] - [ -0.0000344000000000, 0.0001235700000000, -0.0001729600000000 ] - [ 0.0008501300000000, 0.0003708000000000, -0.0003414800000000 ] - [ -0.0000285300000000, -0.0000898500000000, 0.0008185700000000 ] - [ 0.0004466100000000, -0.0001702700000000, 0.0000494500000000 ] - [ -0.0004819000000000, -0.0007089100000000, -0.0000747400000000 ] - [ 0.0001673400000000, -0.0004441600000000, -0.0001011200000000 ] - [ -0.0002162900000000, 0.0004415700000000, 0.0002226300000000 ] - [ 0.0004453800000000, 0.0002921000000000, 0.0000339100000000 ] - [ 0.0003543100000000, -0.0005779200000000, -0.0001610700000000 ] - [ 0.0001217800000000, 0.0000488000000000, -0.0002424700000000 ] - [ 0.0000036600000000, 0.0001011400000000, 0.0007752000000000 ] - [ 0.0000469800000000, 0.0000081400000000, -0.0000479700000000 ] - [ 0.0003645200000000, 0.0001022600000000, 0.0002402800000000 ] - [ 0.0055962100000000, 0.0191772600000000, 0.0219812700000000 ] - [ -0.0002416100000000, 0.0000339400000000, -0.0001935100000000 ] - [ 0.0000611600000000, -0.0000850400000000, 0.0000131100000000 ] - [ -0.0006255100000000, 0.0007917800000000, 0.0002102900000000 ] - [ -0.0001028200000000, 0.0002779800000000, 0.0000182900000000 ] - [ -0.0001081600000000, 0.0001248000000000, -0.0002410000000000 ] - [ -0.0000534700000000, 0.0000553900000000, -0.0000171200000000 ] - [ -0.0001530900000000, 0.0000218300000000, -0.0000940600000000 ] - [ -0.0001238300000000, 0.0000101800000000, -0.0001219500000000 ] - [ 0.0008348700000000, -0.0000217600000000, -0.0004256600000000 ] - [ 0.0002773100000000, -0.0001528700000000, 0.0006962100000000 ] - [ 0.0001011000000000, 0.0003107400000000, 0.0000110100000000 ] - [ -0.0000215300000000, 0.0001712600000000, 0.0000163000000000 ] - [ -0.0002383600000000, 0.0000371700000000, 0.0000380200000000 ] - [ 0.0002879700000000, -0.0000059200000000, 0.0000326900000000 ] - [ -0.0006793100000000, -0.0000240200000000, 0.0049706300000000 ] - [ -0.0009131700000000, -0.0004622800000000, -0.0009776400000000 ] - [ 0.0001602700000000, 0.0003727200000000, -0.0002358800000000 ] - [ 0.0014426500000000, -0.0002450900000000, 0.0035792300000000 ] - [ 0.0000075700000000, 0.0000297800000000, -0.0000512700000000 ] - [ 0.0001214500000000, 0.0002376500000000, -0.0000507900000000 ] - [ -0.0001607500000000, -0.0000396100000000, 0.0000659100000000 ] - [ -0.0004821100000000, -0.0000211500000000, 0.0001943800000000 ] - [ -0.0003842900000000, 0.0005545900000000, -0.0007802500000000 ] - [ 0.0003499000000000, -0.0001056200000000, -0.0000224100000000 ] - [ -0.0001040200000000, 0.0004467300000000, -0.0003976300000000 ] - [ 0.0000005300000000, -0.0003705900000000, 0.0001092000000000 ] - [ -0.0003067200000000, 0.0004589300000000, -0.0000048000000000 ] - [ -0.0003263500000000, 0.0000939200000000, 0.0009316800000000 ] - [ -0.0000774000000000, -0.0008625400000000, -0.0003506100000000 ] - [ 0.0006318000000000, -0.0003584200000000, -0.0003602700000000 ] - [ -0.0000285400000000, 0.0004074600000000, 0.0001716100000000 ] - [ -0.0004094800000000, -0.0001059800000000, 0.0001267400000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001122600000000, 0.0000730900000000, 0.0001260600000000 ] - [ -0.0003070400000000, -0.0005244100000000, -0.0001571600000000 ] - [ 0.0000647200000000, 0.0001612700000000, 0.0002594600000000 ] - [ -0.0001176800000000, -0.0000589900000000, 0.0002283600000000 ] - [ -0.0001519500000000, -0.0000629300000000, 0.0000039800000000 ] - [ 0.0001411900000000, -0.0000020500000000, 0.0002130200000000 ] - [ 0.0000674800000000, -0.0000428300000000, 0.0000098300000000 ] - [ -0.0000232600000000, 0.0000103100000000, 0.0000988300000000 ] - [ -0.0000865200000000, 0.0000142900000000, 0.0000983400000000 ] - [ 0.0000234800000000, -0.0000522900000000, 0.0002373600000000 ] - [ 0.0019947500000000, -0.0009578600000000, -0.0030020400000000 ] - [ -0.0001131100000000, 0.0001004300000000, -0.0000164700000000 ] - [ 0.0002370800000000, 0.0002069900000000, 0.0002568800000000 ] - [ 0.0004621800000000, 0.0005342500000000, -0.0000815000000000 ] - [ 0.0025629300000000, -0.0018647700000000, 0.0015256500000000 ] - [ 0.0019459900000000, -0.0011794200000000, 0.0007542300000000 ] - [ 0.0000117600000000, -0.0000280500000000, 0.0001270400000000 ] - [ -0.0001141000000000, -0.0005680300000000, 0.0004201400000000 ] - [ -0.0013006700000000, 0.0006482000000000, 0.0001618500000000 ] - [ -0.0000111300000000, 0.0000371500000000, 0.0000964000000000 ] - [ 0.0001862400000000, -0.0000569300000000, -0.0000350400000000 ] - [ -0.0000552100000000, -0.0000921600000000, 0.0000753000000000 ] - [ 0.0000550300000000, -0.0001733300000000, 0.0000334900000000 ] - [ -0.0001721300000000, 0.0001031000000000, 0.0000230700000000 ] - [ -0.0000777500000000, -0.0006220200000000, -0.0003043400000000 ] - [ -0.0003904800000000, 0.0001088800000000, 0.0005418600000000 ] - [ 0.0007195600000000, -0.0005481900000000, 0.0000112600000000 ] - [ 0.0000406900000000, 0.0001521800000000, -0.0011726500000000 ] - [ 0.0000608700000000, 0.0000476500000000, 0.0004021300000000 ] - [ -0.0002558900000000, -0.0008461200000000, -0.0000919900000000 ] - [ -0.0011626200000000, 0.0001701800000000, 0.0010215800000000 ] - [ 0.0000623200000000, -0.0020141400000000, 0.0122780500000000 ] - [ 0.0000114600000000, 0.0000222200000000, 0.0003847900000000 ] - [ -0.0006386800000000, 0.0004961400000000, -0.0002832300000000 ] - [ 0.0005572600000000, 0.0008667900000000, 0.0008370300000000 ] - [ -0.0003993400000000, -0.0000109500000000, -0.0000584400000000 ] - [ -0.0000748700000000, 0.0000816800000000, 0.0003976300000000 ] - [ 0.0293182700000000, 0.0365655700000000, -0.0421152700000000 ] - [ -0.0003146800000000, 0.0003808100000000, 0.0000465500000000 ] - [ 0.0001732900000000, -0.0002033100000000, -0.0000470600000000 ] - [ 0.0002129100000000, 0.0001930700000000, -0.0015865700000000 ] - [ -0.0003637900000000, -0.0002046800000000, -0.0000435100000000 ] - [ 0.0001268500000000, 0.0000941900000000, 0.0002181000000000 ] - [ 0.0010586800000000, 0.0004445700000000, -0.0001709400000000 ] - [ 0.0001028600000000, 0.0001929300000000, 0.0000265500000000 ] - [ 0.0000444000000000, 0.0006052200000000, -0.0002181500000000 ] - [ -0.0000130100000000, 0.0001050900000000, 0.0000836900000000 ] - [ 0.0001896000000000, -0.0005750000000000, 0.0002005800000000 ] - [ 0.0000199500000000, -0.0004369800000000, -0.0005896800000000 ] - [ 0.0009324200000000, 0.0000458500000000, -0.0000309300000000 ] - [ -0.0001288900000000, 0.0002702800000000, -0.0006502500000000 ] - [ 0.0017347400000000, -0.0009831700000000, 0.0013462900000000 ] - [ -0.0006379500000000, 0.0012221300000000, 0.0101973700000000 ] - [ -0.0005563400000000, 0.0008692400000000, -0.0000966500000000 ] - [ -0.0006321300000000, 0.0006989800000000, 0.0003435300000000 ] - [ -0.0004127400000000, 0.0003192700000000, -0.0008869700000000 ] - [ -0.0001294300000000, 0.0008602000000000, 0.0001164200000000 ] - [ -0.0000530900000000, 0.0003943900000000, 0.0002216200000000 ] - [ -0.0003200200000000, -0.0003012300000000, 0.0001557900000000 ] - [ -0.0004135000000000, -0.0006316700000000, 0.0003336100000000 ] - [ -0.0172458800000000, -0.0618081700000000, -0.0644824400000000 ] - [ -0.0003964700000000, -0.0003621100000000, -0.0002814800000000 ] - [ 0.0006890000000000, -0.0000491000000000, -0.0004721900000000 ] - [ -0.0001228800000000, -0.0005500600000000, -0.0005575900000000 ] - [ 0.0000548400000000, -0.0002191500000000, -0.0006640700000000 ] - [ -0.0001928400000000, 0.0003040000000000, 0.0001646200000000 ] - [ -0.0005124200000000, 0.0002095800000000, -0.0006300600000000 ] - [ 0.0001340400000000, 0.0008041400000000, 0.0003253800000000 ] - [ 0.0004016100000000, 0.0004407400000000, -0.0006037400000000 ] - [ -0.0010373300000000, 0.0018259800000000, -0.0002135000000000 ] - [ -0.0007499100000000, -0.0001843700000000, 0.0003110300000000 ] - [ 0.0003106200000000, 0.0004161700000000, -0.0014675200000000 ] - [ 0.0002656800000000, 0.0001290400000000, 0.0000608800000000 ] - [ -0.0008891900000000, 0.0048463000000000, 0.0074096500000000 ] - [ 0.0005172500000000, 0.0001373000000000, -0.0000029700000000 ] - [ -0.0199776300000000, 0.0365436400000000, 0.1132832300000000 ] - [ -0.0005269100000000, -0.0029533100000000, 0.0032415700000000 ] - [ 0.0001387000000000, 0.0001120000000000, -0.0000442200000000 ] - [ 0.0001049400000000, 0.0000727800000000, -0.0001478800000000 ] - [ -0.0004348300000000, -0.0000869400000000, -0.0000318900000000 ] - [ -0.0003420600000000, 0.0001141400000000, -0.0000026000000000 ] - [ -0.0003950200000000, -0.0000781700000000, -0.0001636600000000 ] - [ 0.0004112800000000, -0.0005495900000000, -0.0000507200000000 ] - [ -0.0008986000000000, 0.0008460700000000, -0.0007911600000000 ] - [ 0.0003677000000000, -0.0001853800000000, 0.0000907500000000 ] - [ -0.0001927000000000, 0.0004511800000000, -0.0002771900000000 ] - [ 0.0008875300000000, 0.0000167400000000, 0.0001476400000000 ] - [ -0.0001200200000000, 0.0001403600000000, -0.0001230700000000 ] - [ 0.0001451400000000, -0.0005852100000000, -0.0002850700000000 ] - [ 0.0000521300000000, 0.0001190300000000, -0.0002913500000000 ] - [ 0.0002379500000000, 0.0002508000000000, 0.0002522700000000 ] - [ -0.0010763100000000, 0.0009148700000000, -0.0029448500000000 ] - [ 0.0002090800000000, 0.0000506100000000, -0.0000662300000000 ] - [ 0.0017531500000000, -0.0000434300000000, -0.0019889200000000 ] - [ 0.0000461400000000, 0.0000802200000000, 0.0006983400000000 ] - [ -0.0001414000000000, 0.0000408600000000, -0.0002334500000000 ] - [ -0.0002374300000000, 0.0001986200000000, -0.0001834800000000 ] - [ 0.0002871000000000, -0.0002007300000000, -0.0000743300000000 ] - [ -0.0007030800000000, -0.0001801600000000, -0.0001252000000000 ] - [ 0.0001476900000000, -0.0003660300000000, 0.0001584200000000 ] - [ 0.0007490200000000, -0.0009892800000000, -0.0028047400000000 ] - [ 0.0002079800000000, 0.0003624100000000, 0.0001526900000000 ] - [ -0.0008248800000000, -0.0008560400000000, 0.0002661100000000 ] - [ 0.0041517800000000, 0.0069568100000000, -0.0127223100000000 ] - [ -0.0002329300000000, -0.0003093100000000, -0.0000433500000000 ] - [ 0.0034846400000000, 0.0020656700000000, 0.0076797700000000 ] - [ 0.0000803400000000, 0.0007516300000000, -0.0003224700000000 ] - [ -0.0000354600000000, -0.0004235500000000, 0.0000837500000000 ] - [ -0.0002594100000000, -0.0003449700000000, -0.0002752900000000 ] - [ -0.0002126000000000, -0.0001791500000000, -0.0001788900000000 ] - [ 0.0002861600000000, 0.0001243000000000, -0.0001738500000000 ] - [ 0.0002170000000000, 0.0001806200000000, 0.0000413300000000 ] - [ 0.0000922400000000, -0.0004710600000000, 0.0000467000000000 ] - [ 0.0002089100000000, -0.0000475900000000, 0.0003074200000000 ] - [ -0.0002909100000000, 0.0001701900000000, 0.0001327300000000 ] - [ -0.0004573200000000, -0.0002083400000000, 0.0000824400000000 ] - [ -0.0000310400000000, -0.0005891500000000, 0.0000274700000000 ] - [ -0.0000420600000000, 0.0001094300000000, -0.0000802600000000 ] - [ 0.0003513700000000, 0.0000102300000000, -0.0001641000000000 ] - [ 0.0001121200000000, -0.0001257900000000, 0.0008334800000000 ] - [ 0.0023689800000000, 0.0006181800000000, 0.0042936300000000 ] - [ 0.0000178300000000, 0.0000198500000000, 0.0000845400000000 ] - [ -0.0000606300000000, 0.0001698500000000, -0.0001117800000000 ] - [ 0.0006197200000000, 0.0003875700000000, -0.0003699800000000 ] - [ -0.0000267100000000, -0.0000601400000000, 0.0007970700000000 ] - [ 0.0003379000000000, -0.0002909400000000, 0.0000301600000000 ] - [ -0.0000655800000000, -0.0002741300000000, 0.0000752800000000 ] - [ -0.0000513700000000, -0.0002758700000000, 0.0000586000000000 ] - [ -0.0004371500000000, 0.0001742200000000, 0.0000409400000000 ] - [ 0.0003523700000000, 0.0001551100000000, 0.0000489600000000 ] - [ -0.0000761400000000, 0.0003186200000000, -0.0002660000000000 ] - [ 0.0002427600000000, 0.0000607100000000, -0.0001863500000000 ] - [ 0.0000514200000000, 0.0000483800000000, 0.0008385500000000 ] - [ -0.0002704100000000, -0.0000710200000000, 0.0000048800000000 ] - [ -0.0002917400000000, 0.0000147900000000, -0.0002256100000000 ] - [ -0.0053522000000000, -0.0191420000000000, -0.0218104000000000 ] - [ -0.0001218000000000, -0.0001439100000000, -0.0002336600000000 ] - [ 0.0000119100000000, -0.0000393500000000, 0.0000025400000000 ] - [ 0.0004694500000000, -0.0008176100000000, 0.0013906400000000 ] - [ -0.0001205100000000, 0.0002150100000000, 0.0000683000000000 ] - [ -0.0001714300000000, 0.0001378700000000, -0.0001922800000000 ] - [ 0.0001870600000000, -0.0000596900000000, 0.0000328600000000 ] - [ -0.0001861700000000, -0.0000081200000000, -0.0000287600000000 ] - [ -0.0002219300000000, 0.0000513900000000, -0.0001434400000000 ] - [ -0.0009241400000000, -0.0003433900000000, -0.0000224900000000 ] - [ 0.0003956100000000, -0.0002891500000000, -0.0004393500000000 ] - [ -0.0000501200000000, 0.0003697100000000, 0.0001628400000000 ] - [ 0.0002298000000000, 0.0000796300000000, -0.0002873000000000 ] - [ -0.0003073000000000, 0.0000110700000000, 0.0000471500000000 ] - [ 0.0000495300000000, -0.0000084000000000, -0.0001524300000000 ] - [ 0.0001381000000000, -0.0001514700000000, -0.0051153200000000 ] - [ 0.0008429500000000, -0.0000164800000000, 0.0006488000000000 ] - [ 0.0004061300000000, 0.0001172500000000, 0.0001861700000000 ] - [ -0.0013451900000000, -0.0000617000000000, -0.0038588700000000 ] - [ -0.0000791300000000, 0.0000946400000000, 0.0000685700000000 ] - [ -0.0000081600000000, 0.0003140100000000, -0.0000897900000000 ] - [ 0.0000310000000000, 0.0000432100000000, -0.0000508000000000 ] - [ 0.0008658800000000, -0.0002714300000000, -0.0005275800000000 ] - [ -0.0000462000000000, -0.0001731400000000, 0.0006486900000000 ] - [ 0.0003614000000000, -0.0001445200000000, -0.0000307900000000 ] - [ -0.0001097500000000, -0.0006958800000000, 0.0001255900000000 ] - [ -0.0000314800000000, -0.0004337500000000, 0.0001504100000000 ] - [ -0.0003116800000000, 0.0005205800000000, 0.0000258100000000 ] - [ 0.0002184300000000, 0.0000353500000000, 0.0006959800000000 ] - [ -0.0000047900000000, -0.0007917700000000, -0.0003629900000000 ] - [ 0.0007658800000000, -0.0005443600000000, -0.0003540100000000 ] - [ 0.0000584900000000, 0.0003970600000000, 0.0000887900000000 ] - [ -0.0004532500000000, -0.0001512900000000, 0.0001377500000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0008647100000000, 0.0000437200000000, 0.0002265500000000 ] - [ 0.0004047600000000, -0.0021404300000000, 0.0027643700000000 ] - [ -0.0000902600000000, 0.0014752600000000, 0.0006243000000000 ] - [ -0.0009704400000000, 0.0001208900000000, 0.0004988900000000 ] - [ -0.0005349300000000, -0.0004275300000000, 0.0000729800000000 ] - [ 0.0003727300000000, -0.0001888300000000, 0.0002614000000000 ] - [ -0.0002651300000000, -0.0001754000000000, 0.0000155100000000 ] - [ -0.0009137000000000, 0.0000067500000000, -0.0001412500000000 ] - [ -0.0002480700000000, 0.0004239500000000, 0.0000847500000000 ] - [ -0.0004469800000000, -0.0003803000000000, 0.0002068800000000 ] - [ 0.0001752100000000, -0.0020109800000000, 0.0015710300000000 ] - [ -0.0002449400000000, 0.0003430800000000, -0.0000073400000000 ] - [ 0.0023107300000000, -0.0013136500000000, -0.0009003100000000 ] - [ 0.0000948200000000, -0.0001568900000000, 0.0001103900000000 ] - [ 0.0005429200000000, 0.0011322300000000, -0.0001729400000000 ] - [ -0.0002336900000000, -0.0018934900000000, -0.0018026400000000 ] - [ -0.0001391800000000, 0.0004400700000000, 0.0001242700000000 ] - [ 0.0001898600000000, -0.0001268300000000, 0.0001185200000000 ] - [ 0.0002482100000000, 0.0014612300000000, 0.0007216800000000 ] - [ -0.0001958100000000, 0.0004954200000000, 0.0001333200000000 ] - [ 0.0000257400000000, 0.0012879300000000, -0.0009682400000000 ] - [ -0.0003223800000000, -0.0002568600000000, 0.0000652300000000 ] - [ 0.0003742300000000, -0.0002960100000000, 0.0000278200000000 ] - [ -0.0011052000000000, 0.0001735700000000, -0.0001606100000000 ] - [ -0.0002591500000000, 0.0008398000000000, -0.0002312100000000 ] - [ -0.0001982000000000, 0.0013828100000000, -0.0000888300000000 ] - [ 0.0012205000000000, -0.0024379300000000, -0.0004133100000000 ] - [ 0.0008238500000000, 0.0005987700000000, -0.0002776400000000 ] - [ -0.0002649600000000, -0.0007227200000000, 0.0003690700000000 ] - [ -0.0034949200000000, -0.0031253900000000, 0.0010336000000000 ] - [ -0.0015874300000000, 0.0001659700000000, -0.0023462700000000 ] - [ 0.0015103000000000, 0.0002258500000000, 0.0004641600000000 ] - [ 0.0002644900000000, 0.0006536200000000, 0.0002795100000000 ] - [ -0.0019840000000000, 0.0004857400000000, -0.0004598400000000 ] - [ 0.0035444800000000, -0.0021861900000000, 0.0059719000000000 ] - [ -0.0018098800000000, -0.0000345700000000, -0.0000384600000000 ] - [ -0.0015004500000000, -0.0001047400000000, 0.0004554400000000 ] - [ 0.0228966400000000, -0.0146334600000000, -0.0073776300000000 ] - [ -0.0099810600000000, 0.0019566400000000, 0.0045255500000000 ] - [ 0.0001910300000000, 0.0002528900000000, -0.0000340900000000 ] - [ 0.0004679700000000, -0.0012279100000000, -0.0002383000000000 ] - [ -0.0006087100000000, -0.0007539900000000, -0.0002740500000000 ] - [ -0.0013239200000000, 0.0025045800000000, 0.0000377700000000 ] - [ 0.0073955800000000, 0.0013308300000000, -0.0000589700000000 ] - [ -0.0007799000000000, 0.0011739400000000, 0.0003880400000000 ] - [ -0.0009395600000000, 0.0008839200000000, -0.0002976000000000 ] - [ -0.0003192500000000, -0.0000311700000000, -0.0000542700000000 ] - [ -0.0006674300000000, -0.0014612800000000, 0.0001846200000000 ] - [ -0.0020270500000000, -0.0008240300000000, -0.0004797900000000 ] - [ 0.0007872000000000, 0.0020884800000000, 0.0001835700000000 ] - [ -0.0013851400000000, 0.0004717800000000, -0.0007319800000000 ] - [ 0.0009374800000000, -0.0015455400000000, 0.0000869800000000 ] - [ 0.0036899300000000, -0.0006726200000000, 0.0021254800000000 ] - [ 0.1424874800000000, -0.1039855400000000, -0.0185264100000000 ] - [ -0.0011412700000000, 0.0007933700000000, 0.0004122600000000 ] - [ -0.0015937600000000, -0.0028918900000000, 0.0000268700000000 ] - [ -0.0014016500000000, 0.0004226900000000, 0.0016715200000000 ] - [ -0.0014096000000000, -0.0005907400000000, 0.0006986500000000 ] - [ 0.0018234900000000, 0.0000046800000000, 0.0000453200000000 ] - [ -0.0027264800000000, 0.0017289800000000, 0.0010092900000000 ] - [ 0.0002973100000000, -0.0003058800000000, -0.0012081900000000 ] - [ -0.0015092300000000, 0.0010647900000000, -0.0009791500000000 ] - [ 0.0004869300000000, -0.0009065600000000, -0.0006203100000000 ] - [ -0.0000489900000000, -0.0009471500000000, -0.0005687300000000 ] - [ -0.0001715000000000, 0.0011063600000000, -0.0007650900000000 ] - [ -0.0006416900000000, -0.0017819800000000, 0.0001136000000000 ] - [ -0.0015587200000000, -0.0000202500000000, -0.0006815600000000 ] - [ -0.0013323000000000, 0.0007222800000000, 0.0003050700000000 ] - [ 0.0006371100000000, 0.0015384800000000, -0.0007685000000000 ] - [ 0.0006668200000000, 0.0007080800000000, -0.0006136800000000 ] - [ -0.0010426700000000, 0.0002229800000000, 0.0003555800000000 ] - [ -0.0090632600000000, 0.0019804600000000, -0.0038416500000000 ] - [ 0.0004694400000000, 0.0011194400000000, 0.0002748000000000 ] - [ -0.0003635400000000, 0.0004955900000000, 0.0000620800000000 ] - [ 0.0004720800000000, -0.0008415700000000, 0.0002420400000000 ] - [ -0.0044890100000000, 0.0030153100000000, 0.0006440700000000 ] - [ -0.1887640500000000, 0.1604786100000000, 0.0357775900000000 ] - [ 0.0009014500000000, 0.0002524400000000, -0.0001307700000000 ] - [ 0.0005615500000000, 0.0000611500000000, -0.0001171000000000 ] - [ 0.0003820700000000, -0.0002342000000000, -0.0002473100000000 ] - [ 0.0007844400000000, -0.0004193800000000, 0.0000045900000000 ] - [ -0.0007167000000000, -0.0088182500000000, -0.0118733900000000 ] - [ 0.0006948300000000, -0.0014311500000000, 0.0002298800000000 ] - [ -0.0006881700000000, 0.0011135700000000, -0.0005219300000000 ] - [ 0.0013494700000000, 0.0002904100000000, -0.0006930000000000 ] - [ -0.0000602600000000, 0.0007415300000000, -0.0007223300000000 ] - [ 0.0020394900000000, 0.0006984300000000, 0.0003332500000000 ] - [ -0.0000232100000000, 0.0005031200000000, -0.0000033300000000 ] - [ 0.0017949600000000, -0.0003687400000000, -0.0033275500000000 ] - [ 0.0002671500000000, 0.0001762400000000, -0.0002169500000000 ] - [ 0.0045408200000000, 0.0010756500000000, -0.0002294400000000 ] - [ -0.0006458900000000, 0.0002448400000000, -0.0001339400000000 ] - [ 0.0004640200000000, 0.0012151400000000, -0.0002161200000000 ] - [ -0.0017289400000000, -0.0004060100000000, 0.0002371500000000 ] - [ 0.0000254500000000, 0.0002698500000000, 0.0007976800000000 ] - [ -0.0025364800000000, -0.0000490000000000, -0.0013336200000000 ] - [ -0.0002402600000000, 0.0002224100000000, -0.0001776600000000 ] - [ 0.0015577000000000, 0.0002052200000000, -0.0002516800000000 ] - [ -0.0008784700000000, -0.0009094800000000, -0.0004037100000000 ] - [ 0.0031669100000000, -0.0023482800000000, 0.0001566800000000 ] - [ -0.0004183900000000, 0.0002689700000000, 0.0000098700000000 ] - [ 0.0012049400000000, 0.0001881100000000, 0.0002276500000000 ] - [ 0.0016650200000000, -0.0015475000000000, 0.0031081500000000 ] - [ -0.0061937200000000, -0.0006892900000000, -0.0024087800000000 ] - [ 0.0005263700000000, 0.0000511200000000, -0.0000782000000000 ] - [ -0.0005029100000000, -0.0000349500000000, 0.0002729300000000 ] - [ 0.0003573000000000, -0.0005963700000000, -0.0001328000000000 ] - [ 0.0031540900000000, -0.0038520400000000, -0.0004165400000000 ] - [ 0.0003479800000000, -0.0012717900000000, 0.0002327100000000 ] - [ -0.0000734300000000, -0.0011421500000000, -0.0002286000000000 ] - [ 0.0010277800000000, 0.0001872800000000, -0.0002806000000000 ] - [ 0.0010434200000000, 0.0000043200000000, 0.0001445300000000 ] - [ 0.0021421000000000, 0.0000247000000000, -0.0000742600000000 ] - [ 0.0002693400000000, -0.0016514200000000, 0.0002605600000000 ] - [ 0.0006393800000000, 0.0007079000000000, 0.0001505600000000 ] - [ -0.0005243700000000, 0.0002624900000000, 0.0001600400000000 ] - [ 0.0008143200000000, -0.0012581100000000, -0.0003153900000000 ] - [ 0.0004198300000000, 0.0012080900000000, -0.0002219100000000 ] - [ 0.0002448400000000, 0.0001960300000000, -0.0000720300000000 ] - [ 0.0006658100000000, -0.0001449600000000, 0.0009313500000000 ] - [ 0.0090232300000000, -0.0122399000000000, -0.0029796500000000 ] - [ -0.0000245600000000, -0.0001616200000000, 0.0000366100000000 ] - [ 0.0003130700000000, 0.0015536500000000, -0.0000509200000000 ] - [ 0.0008292200000000, 0.0004340000000000, -0.0003672100000000 ] - [ 0.0004255000000000, -0.0002278900000000, 0.0008764600000000 ] - [ 0.0004744400000000, 0.0005172300000000, 0.0000825600000000 ] - [ -0.0001722300000000, 0.0001348200000000, -0.0000863800000000 ] - [ -0.0000887900000000, 0.0001348800000000, -0.0000128600000000 ] - [ -0.0001887100000000, 0.0004402700000000, 0.0001492600000000 ] - [ -0.0005487900000000, -0.0009096300000000, 0.0000274200000000 ] - [ 0.0001723700000000, -0.0008049000000000, -0.0001231500000000 ] - [ 0.0009105900000000, 0.0000841800000000, -0.0002015100000000 ] - [ 0.0001296900000000, -0.0005371400000000, 0.0008397400000000 ] - [ -0.0016303300000000, 0.0024953000000000, -0.0004794200000000 ] - [ 0.0000381200000000, 0.0006097300000000, 0.0001241600000000 ] - [ -0.0005814600000000, -0.0002225200000000, 0.0001868100000000 ] - [ 0.0005053000000000, -0.0008700300000000, -0.0007745600000000 ] - [ 0.0004014000000000, -0.0004218500000000, 0.0000866100000000 ] - [ -0.0002042100000000, -0.0001689500000000, 0.0008431400000000 ] - [ 0.0002372000000000, 0.0004244300000000, 0.0000889600000000 ] - [ -0.0001402400000000, 0.0000218600000000, -0.0001895500000000 ] - [ 0.0017816400000000, -0.0003725000000000, 0.0001200900000000 ] - [ -0.0003442000000000, -0.0003895500000000, 0.0001225800000000 ] - [ -0.0015350000000000, 0.0004659800000000, 0.0003653800000000 ] - [ -0.0000934700000000, 0.0005034500000000, -0.0000092300000000 ] - [ 0.0011447700000000, 0.0006978900000000, -0.0001495200000000 ] - [ -0.0015273800000000, 0.0003246700000000, 0.0004425500000000 ] - [ 0.0009696400000000, 0.0005693700000000, 0.0004013400000000 ] - [ -0.0004655700000000, -0.0003221800000000, 0.0000809300000000 ] - [ 0.0007325200000000, -0.0008651000000000, 0.0004066400000000 ] - [ -0.0014251800000000, -0.0005328600000000, -0.0003215400000000 ] - [ 0.0002485000000000, 0.0011581200000000, -0.0000760800000000 ] - [ 0.0037745300000000, 0.0024619900000000, -0.0003635900000000 ] - [ -0.0027960600000000, 0.0021992600000000, -0.0017857300000000 ] - [ 0.0004225000000000, -0.0011231800000000, -0.0001664800000000 ] - [ -0.0007898700000000, 0.0000451400000000, -0.0003796600000000 ] - [ 0.0011784000000000, 0.0003178000000000, -0.0001896200000000 ] - [ -0.0000612000000000, -0.0007138100000000, -0.0002552400000000 ] - [ 0.0313870400000000, -0.0113750700000000, 0.0001152200000000 ] - [ 0.0003707700000000, -0.0006231600000000, -0.0000251000000000 ] - [ -0.0064496400000000, -0.0096829900000000, 0.0019623500000000 ] - [ -0.0000845000000000, -0.0012087200000000, 0.0003108000000000 ] - [ 0.0001770900000000, 0.0002017700000000, -0.0001291200000000 ] - [ 0.0006983000000000, 0.0007234400000000, 0.0002454000000000 ] - [ 0.0005707200000000, -0.0006375600000000, -0.0002849900000000 ] - [ 0.0012121500000000, -0.0007643600000000, -0.0004296800000000 ] - [ 0.0009425900000000, 0.0000526300000000, 0.0001734000000000 ] - [ -0.0005867400000000, -0.0008138100000000, 0.0000702400000000 ]- atom: 77 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0008100200000000, -0.0000115400000000, 0.0000006500000000 ] - [ -0.0004431000000000, 0.0021204800000000, -0.0026149800000000 ] - [ 0.0002111700000000, -0.0013225400000000, -0.0001651800000000 ] - [ 0.0008537400000000, -0.0002738800000000, -0.0000414900000000 ] - [ 0.0002381400000000, 0.0002282700000000, -0.0000388800000000 ] - [ -0.0001822400000000, 0.0001654600000000, 0.0001978600000000 ] - [ 0.0002663600000000, 0.0001740600000000, 0.0000961200000000 ] - [ 0.0009629800000000, -0.0000393600000000, 0.0003644700000000 ] - [ 0.0002466200000000, -0.0004215000000000, 0.0000272600000000 ] - [ 0.0005204200000000, 0.0002086300000000, 0.0002527000000000 ] - [ 0.0001393700000000, 0.0021999700000000, -0.0015343700000000 ] - [ 0.0002457500000000, -0.0003393400000000, 0.0000650500000000 ] - [ -0.0023848400000000, 0.0012625700000000, 0.0009359300000000 ] - [ -0.0001461700000000, 0.0001310300000000, 0.0001158200000000 ] - [ -0.0007390200000000, -0.0011060200000000, 0.0006313900000000 ] - [ 0.0001740300000000, 0.0020517400000000, 0.0022510400000000 ] - [ 0.0001378400000000, -0.0005003400000000, 0.0001011100000000 ] - [ -0.0001342500000000, 0.0001578600000000, 0.0001061700000000 ] - [ -0.0002804100000000, -0.0010998000000000, -0.0006870900000000 ] - [ 0.0001973000000000, -0.0004344300000000, 0.0000920700000000 ] - [ 0.0003050400000000, -0.0014391000000000, 0.0010001200000000 ] - [ 0.0003217500000000, 0.0002538400000000, -0.0000064300000000 ] - [ -0.0003484500000000, -0.0000623500000000, 0.0000065200000000 ] - [ 0.0007810400000000, -0.0000171400000000, 0.0001972700000000 ] - [ 0.0001132800000000, -0.0021164400000000, -0.0002693600000000 ] - [ -0.0000767000000000, -0.0010329500000000, 0.0000407100000000 ] - [ 0.0000744100000000, 0.0013293000000000, 0.0003061800000000 ] - [ 0.0003516200000000, -0.0000631600000000, -0.0002199600000000 ] - [ 0.0002457000000000, 0.0007662800000000, 0.0004337200000000 ] - [ 0.0031755600000000, 0.0014660500000000, -0.0011474600000000 ] - [ -0.0000346200000000, -0.0007235500000000, 0.0022505000000000 ] - [ -0.0014779300000000, -0.0002550300000000, 0.0003465600000000 ] - [ -0.0003097900000000, -0.0006470000000000, 0.0005256200000000 ] - [ 0.0009330300000000, 0.0002868600000000, -0.0000397900000000 ] - [ -0.0032070000000000, 0.0038300000000000, -0.0060867700000000 ] - [ 0.0013805900000000, -0.0000405200000000, -0.0000051500000000 ] - [ 0.0015137800000000, 0.0001461100000000, 0.0003437000000000 ] - [ -0.0239646400000000, 0.0153301000000000, 0.0070295500000000 ] - [ 0.0099186800000000, -0.0019868300000000, -0.0036897300000000 ] - [ 0.0000813000000000, -0.0006000300000000, -0.0000135100000000 ] - [ -0.0002869100000000, 0.0016333100000000, 0.0001990300000000 ] - [ -0.0005673300000000, 0.0002315800000000, -0.0002246100000000 ] - [ 0.0013690400000000, -0.0025123900000000, 0.0007671300000000 ] - [ -0.0058132400000000, -0.0007912300000000, -0.0000442500000000 ] - [ 0.0012045100000000, -0.0010963700000000, -0.0004287800000000 ] - [ 0.0010859400000000, 0.0003969400000000, -0.0002030100000000 ] - [ 0.0001540900000000, -0.0003784200000000, 0.0000152300000000 ] - [ 0.0017140700000000, 0.0006840500000000, -0.0006798900000000 ] - [ 0.0022913600000000, -0.0002101600000000, -0.0006577100000000 ] - [ 0.0008641600000000, -0.0017174700000000, 0.0004912700000000 ] - [ 0.0011786700000000, 0.0001550500000000, -0.0005432100000000 ] - [ 0.0002316900000000, 0.0003012200000000, 0.0005827500000000 ] - [ -0.0030465300000000, 0.0001246100000000, -0.0017028400000000 ] - [ -0.1381626800000000, 0.0969575800000000, 0.0177230600000000 ] - [ -0.0000177100000000, 0.0004553300000000, 0.0002585300000000 ] - [ 0.0022994400000000, 0.0027378500000000, -0.0012874000000000 ] - [ 0.0011447100000000, 0.0006101700000000, -0.0027930200000000 ] - [ 0.0015508700000000, 0.0014161300000000, -0.0003482800000000 ] - [ -0.0025949500000000, -0.0003146300000000, 0.0003092000000000 ] - [ 0.0022115100000000, -0.0033282600000000, -0.0003317900000000 ] - [ -0.0013330500000000, 0.0006392800000000, 0.0000832600000000 ] - [ 0.0007584400000000, -0.0018293600000000, -0.0001573600000000 ] - [ 0.0005668100000000, 0.0006245700000000, -0.0005182900000000 ] - [ -0.0003712800000000, 0.0003895100000000, -0.0007027600000000 ] - [ 0.0003766800000000, -0.0017306100000000, -0.0005112500000000 ] - [ -0.0000310100000000, 0.0023298200000000, 0.0002477400000000 ] - [ 0.0008451000000000, 0.0001525600000000, -0.0005860600000000 ] - [ 0.0018347200000000, 0.0008905600000000, 0.0003657000000000 ] - [ 0.0001148200000000, -0.0007761000000000, -0.0003677400000000 ] - [ -0.0002475700000000, -0.0001409600000000, -0.0006569600000000 ] - [ -0.0006122900000000, -0.0005902800000000, 0.0003188600000000 ] - [ 0.0098320600000000, -0.0017092900000000, 0.0041847900000000 ] - [ 0.0001419200000000, -0.0008197600000000, -0.0001011800000000 ] - [ 0.0010910400000000, -0.0001621600000000, 0.0001934500000000 ] - [ 0.0003927700000000, 0.0011050600000000, 0.0000146000000000 ] - [ 0.0036688700000000, -0.0026551700000000, -0.0005869100000000 ] - [ 0.1838768700000000, -0.1536025200000000, -0.0343058800000000 ] - [ -0.0007137600000000, 0.0000284200000000, 0.0000137800000000 ] - [ -0.0004935500000000, 0.0004226800000000, -0.0002191700000000 ] - [ -0.0014753400000000, 0.0001871600000000, 0.0002509200000000 ] - [ -0.0014965400000000, 0.0006731900000000, -0.0000485000000000 ] - [ 0.0000907300000000, 0.0091358800000000, 0.0119747000000000 ] - [ -0.0000693700000000, 0.0004499000000000, -0.0002030900000000 ] - [ -0.0007092500000000, -0.0002108800000000, -0.0001887300000000 ] - [ -0.0007802700000000, -0.0006685200000000, 0.0008676700000000 ] - [ 0.0000273600000000, 0.0001675200000000, 0.0007930400000000 ] - [ -0.0009392800000000, -0.0006455500000000, -0.0003269400000000 ] - [ -0.0001315600000000, -0.0002012600000000, -0.0001161800000000 ] - [ -0.0019747200000000, 0.0000849300000000, 0.0031794300000000 ] - [ -0.0001796100000000, 0.0001971700000000, -0.0002176700000000 ] - [ -0.0045081600000000, -0.0008541800000000, 0.0001891300000000 ] - [ 0.0008575800000000, -0.0007464200000000, 0.0002321400000000 ] - [ 0.0000770500000000, -0.0010342100000000, 0.0000874800000000 ] - [ 0.0019671400000000, 0.0004658700000000, -0.0002942100000000 ] - [ 0.0001241100000000, -0.0002485500000000, 0.0008154700000000 ] - [ 0.0024840300000000, -0.0001572300000000, 0.0012880500000000 ] - [ -0.0001438800000000, 0.0000724600000000, -0.0001526500000000 ] - [ -0.0011227500000000, -0.0005878100000000, 0.0001258300000000 ] - [ -0.0005873300000000, 0.0001533900000000, -0.0003024100000000 ] - [ -0.0032777800000000, 0.0017899000000000, -0.0002885900000000 ] - [ 0.0003040000000000, 0.0004434900000000, -0.0000442800000000 ] - [ -0.0009963600000000, 0.0006885900000000, 0.0000313700000000 ] - [ -0.0017049000000000, 0.0008743600000000, -0.0029451600000000 ] - [ 0.0055972500000000, 0.0003356200000000, 0.0024594800000000 ] - [ -0.0010933300000000, -0.0005397100000000, 0.0000376000000000 ] - [ 0.0011426700000000, -0.0005870600000000, -0.0000182800000000 ] - [ -0.0002706800000000, 0.0022365100000000, -0.0005728500000000 ] - [ -0.0034468200000000, 0.0033662700000000, 0.0005092600000000 ] - [ -0.0011328400000000, 0.0008163200000000, -0.0001603400000000 ] - [ -0.0003817700000000, 0.0009472600000000, -0.0001084800000000 ] - [ -0.0005722900000000, 0.0000058000000000, -0.0000561200000000 ] - [ -0.0007280400000000, 0.0004503900000000, -0.0000495300000000 ] - [ -0.0021226500000000, -0.0009331300000000, 0.0001438900000000 ] - [ 0.0002841100000000, 0.0016000400000000, -0.0001629700000000 ] - [ -0.0013027700000000, -0.0002767400000000, 0.0000998200000000 ] - [ -0.0001955000000000, -0.0006176500000000, 0.0000940800000000 ] - [ -0.0010194100000000, 0.0003806200000000, 0.0005700600000000 ] - [ -0.0005803800000000, -0.0010563900000000, 0.0001790100000000 ] - [ 0.0002851300000000, 0.0007839000000000, 0.0000789300000000 ] - [ -0.0005621700000000, 0.0000168900000000, 0.0006885700000000 ] - [ -0.0087142000000000, 0.0122958700000000, 0.0027626300000000 ] - [ -0.0000465800000000, 0.0000414900000000, -0.0000186900000000 ] - [ -0.0004058700000000, -0.0012614100000000, -0.0002315200000000 ] - [ 0.0006383700000000, 0.0003181600000000, -0.0003392600000000 ] - [ -0.0004828400000000, 0.0000849300000000, 0.0007339000000000 ] - [ 0.0003131500000000, -0.0009678900000000, -0.0000125500000000 ] - [ -0.0003595900000000, -0.0011207800000000, 0.0000951800000000 ] - [ 0.0002054100000000, -0.0008570400000000, -0.0000207000000000 ] - [ -0.0004710100000000, 0.0001692300000000, 0.0001049200000000 ] - [ 0.0013393000000000, 0.0013702700000000, 0.0000461300000000 ] - [ 0.0001170800000000, 0.0005380100000000, -0.0003138500000000 ] - [ -0.0005399300000000, 0.0000322000000000, -0.0002313100000000 ] - [ -0.0000719200000000, 0.0006773600000000, 0.0007696700000000 ] - [ 0.0014183000000000, -0.0025577300000000, 0.0004363300000000 ] - [ 0.0000286000000000, -0.0004968000000000, -0.0001080600000000 ] - [ 0.0007308600000000, -0.0000939600000000, -0.0003190000000000 ] - [ -0.0008737500000000, 0.0007496500000000, 0.0003357700000000 ] - [ -0.0003272200000000, 0.0002942800000000, -0.0000697600000000 ] - [ 0.0000557500000000, 0.0001420500000000, 0.0007678800000000 ] - [ -0.0004604500000000, 0.0000747300000000, 0.0000092200000000 ] - [ -0.0001470300000000, 0.0002420900000000, -0.0002480200000000 ] - [ -0.0016399600000000, 0.0003634400000000, -0.0001034100000000 ] - [ 0.0000041100000000, 0.0004066600000000, -0.0002462200000000 ] - [ 0.0011921400000000, -0.0004003400000000, -0.0006323900000000 ] - [ 0.0000009300000000, -0.0008772500000000, -0.0004274700000000 ] - [ -0.0004792700000000, -0.0011252100000000, 0.0003974700000000 ] - [ 0.0015734900000000, 0.0003579200000000, -0.0002745800000000 ] - [ -0.0007503300000000, -0.0003135100000000, -0.0006712600000000 ] - [ -0.0000849800000000, 0.0003717700000000, 0.0000154700000000 ] - [ -0.0003919500000000, 0.0008479400000000, -0.0005298700000000 ] - [ 0.0008855600000000, 0.0003349300000000, 0.0001778900000000 ] - [ -0.0003200400000000, -0.0016327700000000, -0.0002594200000000 ] - [ -0.0031779000000000, -0.0019540500000000, 0.0003192700000000 ] - [ 0.0028804200000000, -0.0024803100000000, 0.0014976900000000 ] - [ -0.0004935600000000, 0.0012472200000000, 0.0001837100000000 ] - [ 0.0009024400000000, 0.0005184300000000, 0.0002463400000000 ] - [ -0.0013112200000000, -0.0003116100000000, 0.0002062500000000 ] - [ 0.0004451600000000, 0.0004130900000000, -0.0000767400000000 ] - [ -0.0311884800000000, 0.0115418200000000, -0.0001724700000000 ] - [ 0.0003423500000000, 0.0003697300000000, -0.0000187000000000 ] - [ 0.0061608200000000, 0.0094531600000000, -0.0022204500000000 ] - [ 0.0000554500000000, 0.0004084200000000, -0.0000582600000000 ] - [ -0.0008021900000000, 0.0007760400000000, 0.0001566300000000 ] - [ -0.0007982200000000, -0.0005918900000000, 0.0013684600000000 ] - [ -0.0006566200000000, -0.0010104100000000, -0.0004214100000000 ] - [ 0.0001795800000000, -0.0001405300000000, -0.0002780200000000 ] - [ -0.0009132700000000, 0.0007467700000000, 0.0000799700000000 ] - [ -0.0002750200000000, 0.0005507800000000, 0.0001856500000000 ]- atom: 77 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0007245900000000, 0.0001898500000000, 0.0000326200000000 ] - [ -0.0012663800000000, 0.0042888700000000, -0.0007067000000000 ] - [ 0.0013866500000000, -0.0020163300000000, -0.0006854100000000 ] - [ 0.0009765800000000, 0.0000014700000000, -0.0000840000000000 ] - [ -0.0001978500000000, 0.0000448600000000, 0.0000312600000000 ] - [ -0.0005871700000000, -0.0006100900000000, 0.0003619400000000 ] - [ -0.0000889300000000, -0.0000166600000000, 0.0000612900000000 ] - [ 0.0008516700000000, 0.0002173500000000, 0.0002954300000000 ] - [ 0.0004331000000000, -0.0007341400000000, 0.0000465200000000 ] - [ 0.0000689700000000, 0.0001195700000000, 0.0002350500000000 ] - [ -0.0022364000000000, 0.0022323900000000, 0.0006898600000000 ] - [ 0.0004896600000000, -0.0006743200000000, 0.0000357200000000 ] - [ -0.0024274600000000, 0.0040255300000000, 0.0004860500000000 ] - [ -0.0005484800000000, -0.0005297600000000, 0.0000070000000000 ] - [ 0.0003758600000000, -0.0018605800000000, 0.0013508800000000 ] - [ -0.0015772400000000, 0.0027097600000000, 0.0008010600000000 ] - [ 0.0003942100000000, -0.0009085000000000, 0.0000596500000000 ] - [ -0.0005375400000000, -0.0005936700000000, 0.0003450300000000 ] - [ 0.0005305200000000, -0.0016750900000000, -0.0011348100000000 ] - [ 0.0004575900000000, -0.0007966300000000, 0.0000946100000000 ] - [ 0.0018204500000000, -0.0013869700000000, 0.0016265500000000 ] - [ 0.0000278200000000, 0.0000551100000000, 0.0000209300000000 ] - [ -0.0006383900000000, -0.0008612700000000, -0.0001914300000000 ] - [ 0.0007765000000000, 0.0002442400000000, 0.0002174500000000 ] - [ 0.0014861200000000, -0.0029332800000000, -0.0002908800000000 ] - [ 0.0007874000000000, -0.0018107200000000, 0.0001003200000000 ] - [ -0.0012710800000000, 0.0006997900000000, -0.0003835200000000 ] - [ 0.0009411000000000, -0.0025087700000000, -0.0005053800000000 ] - [ -0.0008668300000000, -0.0006421500000000, 0.0003313200000000 ] - [ 0.0021025300000000, 0.0026491400000000, -0.0011341900000000 ] - [ 0.0011702800000000, 0.0005708300000000, 0.0023527400000000 ] - [ -0.0019616000000000, -0.0012664700000000, -0.0011140500000000 ] - [ 0.0001966600000000, -0.0020743100000000, 0.0009257700000000 ] - [ 0.0009263400000000, -0.0000050100000000, -0.0000157500000000 ] - [ -0.0027166200000000, 0.0093555200000000, -0.0107338900000000 ] - [ 0.0008617000000000, 0.0002249800000000, -0.0000198800000000 ] - [ 0.0009976400000000, 0.0004298800000000, 0.0003455300000000 ] - [ -0.0253139700000000, 0.1185311900000000, 0.0514406600000000 ] - [ 0.0085894900000000, -0.0003616900000000, -0.0020905900000000 ] - [ -0.0005005700000000, -0.0016838500000000, -0.0000302600000000 ] - [ -0.0028401000000000, 0.0013192200000000, -0.0001047600000000 ] - [ -0.0013407300000000, -0.0008306900000000, -0.0002668600000000 ] - [ 0.0021837200000000, -0.0028608300000000, 0.0008897800000000 ] - [ -0.0110253700000000, -0.0083760200000000, 0.0013668200000000 ] - [ 0.0017843200000000, -0.0009080100000000, -0.0004112200000000 ] - [ 0.0012576800000000, -0.0000079600000000, -0.0001391800000000 ] - [ -0.0003767000000000, -0.0011232600000000, 0.0000369000000000 ] - [ 0.0012050800000000, 0.0013044900000000, -0.0004957000000000 ] - [ 0.0016456600000000, 0.0000173200000000, -0.0006627100000000 ] - [ 0.0020299600000000, -0.0026551900000000, 0.0005875000000000 ] - [ 0.0015115800000000, -0.0001514900000000, -0.0005282500000000 ] - [ -0.0014329900000000, -0.0004544700000000, 0.0001782600000000 ] - [ -0.0007740200000000, 0.0024543900000000, -0.0070496600000000 ] - [ -0.1528810900000000, 0.1670080100000000, 0.0238383400000000 ] - [ -0.0006980400000000, -0.0008255900000000, 0.0002139100000000 ] - [ 0.0009740900000000, 0.0035607200000000, -0.0011526800000000 ] - [ 0.0027135800000000, 0.0022730900000000, -0.0025054200000000 ] - [ 0.0003765900000000, 0.0029887300000000, -0.0000877500000000 ] - [ -0.0023661100000000, -0.0009209700000000, 0.0020836500000000 ] - [ 0.0027209200000000, -0.0031152100000000, -0.0000909600000000 ] - [ -0.0043629800000000, -0.0084839200000000, -0.0035565700000000 ] - [ 0.0014554400000000, -0.0020900200000000, -0.0000587400000000 ] - [ -0.0002820900000000, -0.0005920100000000, -0.0006190400000000 ] - [ -0.0012602400000000, -0.0010985600000000, -0.0005846800000000 ] - [ 0.0015023700000000, -0.0024179000000000, -0.0004104800000000 ] - [ -0.0047147900000000, 0.0009559800000000, 0.0000311700000000 ] - [ 0.0008984300000000, 0.0000072300000000, -0.0006554500000000 ] - [ 0.0013759500000000, 0.0010577200000000, 0.0002918900000000 ] - [ 0.0016962000000000, -0.0035694100000000, 0.0000315000000000 ] - [ 0.0004456800000000, -0.0015561200000000, -0.0009668100000000 ] - [ -0.0010092500000000, -0.0018497500000000, 0.0004279400000000 ] - [ 0.0149016700000000, 0.0031663500000000, 0.0067506500000000 ] - [ 0.0014155300000000, -0.0004035200000000, 0.0005745700000000 ] - [ -0.0000165300000000, 0.0040586600000000, 0.0003824700000000 ] - [ 0.0000288600000000, 0.0013449200000000, -0.0000125800000000 ] - [ 0.0078811300000000, 0.0170328400000000, 0.0022376000000000 ] - [ 0.2237216300000000, -0.3580150100000000, -0.1053240600000000 ] - [ -0.0004597500000000, -0.0000824600000000, 0.0000203100000000 ] - [ -0.0004027000000000, 0.0007227900000000, -0.0002799500000000 ] - [ -0.0016940800000000, 0.0002700600000000, 0.0002707800000000 ] - [ -0.0019380600000000, 0.0008724100000000, -0.0000218000000000 ] - [ -0.0106909700000000, 0.0100586700000000, 0.0235220600000000 ] - [ -0.0007388800000000, 0.0011511400000000, -0.0004452900000000 ] - [ -0.0000225100000000, -0.0004127800000000, -0.0000322300000000 ] - [ -0.0003131600000000, -0.0013273500000000, 0.0007432600000000 ] - [ -0.0015755900000000, -0.0012425600000000, 0.0016870000000000 ] - [ -0.0002129300000000, -0.0007447200000000, -0.0001883100000000 ] - [ 0.0002992900000000, 0.0003882500000000, 0.0000124300000000 ] - [ -0.0024496800000000, -0.0007824500000000, 0.0023745100000000 ] - [ 0.0000650400000000, 0.0006151000000000, -0.0002639600000000 ] - [ -0.0040895000000000, -0.0040334000000000, 0.0000492900000000 ] - [ 0.0019470800000000, -0.0003766900000000, 0.0001904200000000 ] - [ 0.0015760600000000, 0.0006256200000000, 0.0000074100000000 ] - [ -0.0001916100000000, -0.0011833300000000, 0.0009224300000000 ] - [ 0.0005606200000000, 0.0002957500000000, 0.0008127800000000 ] - [ 0.0021327900000000, -0.0009928900000000, 0.0013798400000000 ] - [ 0.0005622700000000, 0.0007652000000000, -0.0001040900000000 ] - [ -0.0004965800000000, -0.0008532300000000, 0.0000717400000000 ] - [ -0.0014024200000000, 0.0007921100000000, -0.0004192000000000 ] - [ -0.0047755600000000, 0.0014556800000000, -0.0006337400000000 ] - [ -0.0000122300000000, 0.0015765600000000, 0.0001330300000000 ] - [ -0.0006347200000000, 0.0003595900000000, 0.0000693300000000 ] - [ -0.0029578900000000, -0.0003597200000000, -0.0038140600000000 ] - [ 0.0031380600000000, 0.0009747200000000, 0.0148405500000000 ] - [ -0.0009504200000000, -0.0005288600000000, 0.0000388100000000 ] - [ 0.0041754000000000, 0.0014374500000000, 0.0001425300000000 ] - [ -0.0007046600000000, 0.0022582200000000, -0.0005551400000000 ] - [ -0.0033838400000000, 0.0020689700000000, 0.0005157800000000 ] - [ -0.0017404100000000, 0.0007576100000000, -0.0000358500000000 ] - [ -0.0009339600000000, 0.0012022400000000, -0.0002432500000000 ] - [ -0.0005185400000000, 0.0000622300000000, -0.0000834500000000 ] - [ -0.0004646400000000, 0.0001444600000000, -0.0000409000000000 ] - [ -0.0015146800000000, -0.0012296000000000, 0.0001983300000000 ] - [ -0.0002830200000000, 0.0020233700000000, -0.0003037600000000 ] - [ -0.0010763800000000, -0.0002288300000000, 0.0000739700000000 ] - [ 0.0000705800000000, 0.0001551100000000, 0.0000545100000000 ] - [ -0.0013178300000000, -0.0000664000000000, 0.0004788200000000 ] - [ 0.0006469800000000, -0.0016174400000000, 0.0003856800000000 ] - [ 0.0003950800000000, 0.0016653000000000, 0.0003311900000000 ] - [ -0.0005523100000000, 0.0000670400000000, 0.0007162500000000 ] - [ -0.0174347900000000, 0.0128115700000000, 0.0032320200000000 ] - [ 0.0003243100000000, 0.0014779600000000, -0.0002204600000000 ] - [ 0.0011129300000000, -0.0018345100000000, -0.0005653600000000 ] - [ 0.0011802900000000, 0.0008032600000000, -0.0004847000000000 ] - [ -0.0005630200000000, 0.0002811600000000, 0.0007104100000000 ] - [ 0.0010330900000000, -0.0000942700000000, 0.0000470300000000 ] - [ 0.0006091000000000, -0.0001208000000000, -0.0001612400000000 ] - [ 0.0005118400000000, 0.0001014500000000, -0.0000560800000000 ] - [ 0.0001907300000000, 0.0006923400000000, 0.0002337100000000 ] - [ 0.0010559300000000, 0.0047457600000000, 0.0002632200000000 ] - [ -0.0003920700000000, 0.0010219800000000, -0.0003709000000000 ] - [ -0.0003801400000000, -0.0000551400000000, -0.0001835500000000 ] - [ -0.0005779400000000, 0.0010303000000000, 0.0007480400000000 ] - [ 0.0055178700000000, 0.0002959400000000, 0.0007877600000000 ] - [ 0.0007437000000000, 0.0004204100000000, 0.0001449700000000 ] - [ 0.0012839100000000, 0.0017518100000000, 0.0025608100000000 ] - [ -0.0013094500000000, 0.0006612300000000, 0.0002158900000000 ] - [ -0.0004738300000000, 0.0008431600000000, -0.0001612200000000 ] - [ -0.0001284100000000, 0.0009695700000000, 0.0011137000000000 ] - [ 0.0003598700000000, 0.0005864500000000, 0.0000585200000000 ] - [ 0.0000518500000000, 0.0007945200000000, -0.0002951700000000 ] - [ -0.0018252000000000, 0.0002910100000000, -0.0001736400000000 ] - [ -0.0004068000000000, 0.0013233000000000, -0.0007128100000000 ] - [ 0.0018538500000000, 0.0000135500000000, -0.0008162400000000 ] - [ 0.0008696000000000, -0.0006560800000000, -0.0000014600000000 ] - [ -0.0005409500000000, -0.0022110000000000, 0.0006139000000000 ] - [ 0.0023696100000000, 0.0015977900000000, -0.0023835000000000 ] - [ -0.0010175700000000, -0.0015212400000000, -0.0008835900000000 ] - [ 0.0001560300000000, 0.0013688500000000, 0.0000324500000000 ] - [ -0.0007183900000000, 0.0009532500000000, -0.0006545400000000 ] - [ 0.0004784800000000, 0.0004937100000000, 0.0010978900000000 ] - [ 0.0010666000000000, -0.0020694800000000, -0.0003403500000000 ] - [ -0.0026428500000000, -0.0024108900000000, 0.0001546100000000 ] - [ 0.0033947100000000, -0.0063252000000000, 0.0029450100000000 ] - [ -0.0013546600000000, 0.0020922200000000, 0.0003475300000000 ] - [ 0.0003946200000000, 0.0013851500000000, 0.0000142900000000 ] - [ -0.0009236400000000, -0.0004590400000000, 0.0001293800000000 ] - [ -0.0001360400000000, 0.0009256300000000, 0.0001025800000000 ] - [ -0.0231375400000000, 0.0003074900000000, -0.0005105100000000 ] - [ -0.0004285900000000, 0.0008268200000000, -0.0000414900000000 ] - [ -0.0059347200000000, 0.0295403600000000, -0.0073802200000000 ] - [ -0.0011725600000000, 0.0012760300000000, -0.0001213700000000 ] - [ -0.0008174600000000, 0.0012638200000000, 0.0002300600000000 ] - [ -0.0004416300000000, -0.0009133300000000, 0.0011133800000000 ] - [ -0.0005158000000000, -0.0009447600000000, -0.0004294900000000 ] - [ 0.0001821200000000, 0.0003259400000000, -0.0002209000000000 ] - [ -0.0013096900000000, 0.0008107000000000, 0.0000163500000000 ] - [ -0.0002089600000000, 0.0019444900000000, 0.0002633400000000 ]- atom: 77 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0007788400000000, -0.0001592800000000, 0.0001930100000000 ] - [ 0.0012535100000000, -0.0042944500000000, 0.0008374600000000 ] - [ -0.0012764400000000, 0.0021727900000000, 0.0011491900000000 ] - [ -0.0010912200000000, -0.0001521300000000, 0.0005414100000000 ] - [ -0.0001012000000000, -0.0002436500000000, 0.0000026000000000 ] - [ 0.0007798800000000, 0.0005867500000000, 0.0000963600000000 ] - [ 0.0000906700000000, 0.0000177300000000, 0.0000504900000000 ] - [ -0.0007978600000000, -0.0002507600000000, -0.0000698500000000 ] - [ -0.0004344400000000, 0.0007326000000000, 0.0000646700000000 ] - [ 0.0000042500000000, -0.0002940600000000, 0.0002242300000000 ] - [ 0.0025481500000000, -0.0020253300000000, -0.0006623600000000 ] - [ -0.0004892100000000, 0.0006746000000000, 0.0000224500000000 ] - [ 0.0024402200000000, -0.0040260500000000, -0.0003565600000000 ] - [ 0.0004944000000000, 0.0004995700000000, 0.0002175800000000 ] - [ -0.0005698300000000, 0.0018799300000000, -0.0008860500000000 ] - [ 0.0015199600000000, -0.0025348100000000, -0.0003351600000000 ] - [ -0.0003944600000000, 0.0008469300000000, 0.0001654000000000 ] - [ 0.0005920800000000, 0.0006238200000000, -0.0001197500000000 ] - [ -0.0005579200000000, 0.0020318400000000, 0.0011632600000000 ] - [ -0.0004563100000000, 0.0008592100000000, 0.0001294300000000 ] - [ -0.0015050000000000, 0.0012277500000000, -0.0015970200000000 ] - [ -0.0000273700000000, -0.0000561600000000, 0.0000379100000000 ] - [ 0.0006657500000000, 0.0005030500000000, 0.0002268700000000 ] - [ -0.0010980400000000, -0.0000818200000000, -0.0001809800000000 ] - [ -0.0016396300000000, 0.0016512500000000, -0.0002102300000000 ] - [ -0.0010600800000000, 0.0021567700000000, -0.0001473100000000 ] - [ 0.0025667800000000, -0.0018226800000000, 0.0002730500000000 ] - [ 0.0002340200000000, 0.0030335000000000, 0.0000070700000000 ] - [ 0.0008463400000000, 0.0006808800000000, 0.0004713900000000 ] - [ -0.0024338600000000, -0.0043102700000000, 0.0010228800000000 ] - [ -0.0027923400000000, -0.0011132900000000, -0.0024453200000000 ] - [ 0.0019877400000000, 0.0012391600000000, 0.0019164400000000 ] - [ -0.0002416700000000, 0.0020825500000000, -0.0001253500000000 ] - [ -0.0019737800000000, 0.0007725000000000, -0.0004821900000000 ] - [ 0.0030648500000000, -0.0077337200000000, 0.0106490300000000 ] - [ -0.0012851400000000, -0.0002965700000000, -0.0000232700000000 ] - [ -0.0009851000000000, -0.0003878600000000, 0.0004535400000000 ] - [ 0.0235761000000000, -0.1112898300000000, -0.0478379000000000 ] - [ -0.0085932900000000, 0.0003160300000000, 0.0028840500000000 ] - [ 0.0007761000000000, 0.0013397400000000, -0.0000174700000000 ] - [ 0.0030079700000000, -0.0009023800000000, 0.0000657200000000 ] - [ 0.0001652700000000, 0.0003078300000000, -0.0002309900000000 ] - [ -0.0021321300000000, 0.0028505700000000, -0.0000837200000000 ] - [ 0.0127114300000000, 0.0089525600000000, -0.0014734900000000 ] - [ -0.0013610200000000, 0.0009779800000000, 0.0003682900000000 ] - [ -0.0011076600000000, 0.0012913800000000, -0.0003609800000000 ] - [ 0.0002097900000000, 0.0007080400000000, -0.0000751600000000 ] - [ -0.0001561900000000, -0.0020753500000000, -0.0000019200000000 ] - [ -0.0013813200000000, -0.0010523700000000, -0.0004735000000000 ] - [ -0.0003764500000000, 0.0030199300000000, 0.0000880600000000 ] - [ -0.0017134700000000, 0.0007830200000000, -0.0007461800000000 ] - [ 0.0025963100000000, -0.0007852300000000, 0.0004911100000000 ] - [ 0.0014256300000000, -0.0029894600000000, 0.0074657700000000 ] - [ 0.1638331000000000, -0.1780150200000000, -0.0257776500000000 ] - [ -0.0004620500000000, 0.0020669400000000, 0.0004563800000000 ] - [ -0.0002605500000000, -0.0036934200000000, -0.0001139400000000 ] - [ -0.0029830900000000, -0.0012473700000000, 0.0013695500000000 ] - [ -0.0002446400000000, -0.0021545400000000, 0.0004401600000000 ] - [ 0.0016042300000000, 0.0006035900000000, -0.0017433300000000 ] - [ -0.0032292300000000, 0.0014970300000000, 0.0007619900000000 ] - [ 0.0033179700000000, 0.0087818800000000, 0.0024183800000000 ] - [ -0.0022017500000000, 0.0013261200000000, -0.0010753900000000 ] - [ 0.0013348400000000, 0.0003048700000000, -0.0005188800000000 ] - [ 0.0008404600000000, 0.0005403700000000, -0.0006868300000000 ] - [ -0.0012989500000000, 0.0017884100000000, -0.0008660700000000 ] - [ 0.0040394000000000, -0.0004207600000000, 0.0003338700000000 ] - [ -0.0016107400000000, 0.0001207900000000, -0.0006112900000000 ] - [ -0.0008692100000000, 0.0005594500000000, 0.0003795500000000 ] - [ -0.0009522800000000, 0.0043485300000000, -0.0011700500000000 ] - [ -0.0000271300000000, 0.0021170200000000, -0.0003057100000000 ] - [ -0.0006439600000000, 0.0014840600000000, 0.0002457400000000 ] - [ -0.0140771300000000, -0.0028293700000000, -0.0063694100000000 ] - [ -0.0008025700000000, 0.0007107700000000, -0.0004036700000000 ] - [ 0.0007395700000000, -0.0037090300000000, -0.0001278300000000 ] - [ 0.0008345800000000, -0.0010792300000000, 0.0002673400000000 ] - [ -0.0085984300000000, -0.0165514000000000, -0.0021589800000000 ] - [ -0.2347323200000000, 0.3623441700000000, 0.1038800500000000 ] - [ 0.0006480500000000, 0.0003630700000000, -0.0001362700000000 ] - [ 0.0004714400000000, -0.0002370700000000, -0.0000569900000000 ] - [ 0.0005992300000000, -0.0003156500000000, -0.0002658800000000 ] - [ 0.0012240600000000, -0.0006187300000000, -0.0000202700000000 ] - [ 0.0102669500000000, -0.0097756000000000, -0.0236374800000000 ] - [ 0.0013655600000000, -0.0021309500000000, 0.0004728700000000 ] - [ -0.0013717100000000, 0.0013093200000000, -0.0006756300000000 ] - [ 0.0008874200000000, 0.0009468600000000, -0.0005719100000000 ] - [ 0.0015577600000000, 0.0021583900000000, -0.0016279500000000 ] - [ 0.0013092800000000, 0.0007921300000000, 0.0001944000000000 ] - [ -0.0004534300000000, -0.0000843500000000, -0.0001308600000000 ] - [ 0.0022653100000000, 0.0005039100000000, -0.0024918500000000 ] - [ 0.0000231600000000, -0.0002383300000000, -0.0001721700000000 ] - [ 0.0041454400000000, 0.0042193700000000, -0.0000933000000000 ] - [ -0.0017316000000000, -0.0001298400000000, -0.0000885500000000 ] - [ -0.0010340100000000, -0.0004409800000000, -0.0001362000000000 ] - [ 0.0004244300000000, 0.0012302600000000, -0.0009783400000000 ] - [ -0.0004115900000000, -0.0002753900000000, 0.0007986300000000 ] - [ -0.0021971500000000, 0.0007945800000000, -0.0014272900000000 ] - [ -0.0009461900000000, -0.0004707400000000, -0.0002265400000000 ] - [ 0.0009334600000000, 0.0004685400000000, -0.0001970800000000 ] - [ -0.0000624500000000, -0.0015443800000000, -0.0002854500000000 ] - [ 0.0046445700000000, -0.0020189500000000, 0.0004986900000000 ] - [ -0.0000995600000000, -0.0008635600000000, -0.0001639400000000 ] - [ 0.0008399900000000, 0.0005170100000000, 0.0001877900000000 ] - [ 0.0029105800000000, -0.0003285300000000, 0.0039624600000000 ] - [ -0.0036992700000000, -0.0013586700000000, -0.0147558800000000 ] - [ 0.0003840200000000, 0.0000440300000000, -0.0000770500000000 ] - [ -0.0035112600000000, -0.0020477200000000, 0.0001103800000000 ] - [ 0.0007933600000000, -0.0006095400000000, -0.0001508900000000 ] - [ 0.0030675200000000, -0.0025168500000000, -0.0004180900000000 ] - [ 0.0009560400000000, -0.0012177400000000, 0.0001066400000000 ] - [ 0.0004829700000000, -0.0013920100000000, -0.0000916500000000 ] - [ 0.0009710400000000, 0.0001240100000000, -0.0002528600000000 ] - [ 0.0007816000000000, 0.0003067100000000, 0.0001380100000000 ] - [ 0.0015393800000000, 0.0003215800000000, -0.0001302700000000 ] - [ 0.0008339200000000, -0.0020748500000000, 0.0004025000000000 ] - [ 0.0004129400000000, 0.0006589400000000, 0.0001740600000000 ] - [ -0.0007898300000000, -0.0005100900000000, 0.0001981100000000 ] - [ 0.0011151300000000, -0.0008075700000000, -0.0002228800000000 ] - [ -0.0007960400000000, 0.0017717900000000, -0.0004277600000000 ] - [ 0.0001366500000000, -0.0006794300000000, -0.0003216700000000 ] - [ 0.0006540800000000, -0.0001927500000000, 0.0009011200000000 ] - [ 0.0175905500000000, -0.0126893000000000, -0.0034012900000000 ] - [ -0.0003934700000000, -0.0015940200000000, 0.0002372900000000 ] - [ -0.0012050800000000, 0.0021315900000000, 0.0002851800000000 ] - [ 0.0002844800000000, -0.0000534700000000, -0.0002195900000000 ] - [ 0.0005039700000000, -0.0004252800000000, 0.0008983400000000 ] - [ -0.0002444400000000, -0.0003500000000000, 0.0000215000000000 ] - [ -0.0011388200000000, -0.0008695300000000, 0.0001714300000000 ] - [ -0.0003965400000000, -0.0008207700000000, 0.0000241500000000 ] - [ -0.0008508900000000, -0.0000821800000000, 0.0000191900000000 ] - [ -0.0002776100000000, -0.0043109100000000, -0.0001971200000000 ] - [ 0.0006818900000000, -0.0012880000000000, -0.0000685600000000 ] - [ 0.0007502500000000, 0.0001698300000000, -0.0002511400000000 ] - [ 0.0006376400000000, -0.0008898700000000, 0.0008605900000000 ] - [ -0.0057468500000000, -0.0003330900000000, -0.0008349400000000 ] - [ -0.0006755500000000, -0.0003075000000000, -0.0001290200000000 ] - [ -0.0011304900000000, -0.0020614700000000, -0.0026729100000000 ] - [ 0.0009414300000000, -0.0007765900000000, -0.0006511100000000 ] - [ 0.0005488400000000, -0.0009739100000000, 0.0001786200000000 ] - [ -0.0000183700000000, -0.0009927900000000, 0.0004975800000000 ] - [ -0.0005794000000000, -0.0000841900000000, 0.0000418300000000 ] - [ -0.0003412300000000, -0.0005315900000000, -0.0001431600000000 ] - [ 0.0019637600000000, -0.0002952900000000, 0.0001912100000000 ] - [ 0.0000679100000000, -0.0013106000000000, 0.0005959900000000 ] - [ -0.0022055800000000, 0.0000563000000000, 0.0005562600000000 ] - [ -0.0009591200000000, 0.0002761300000000, -0.0004356800000000 ] - [ 0.0012071000000000, 0.0017845700000000, -0.0003665200000000 ] - [ -0.0023427500000000, -0.0009179000000000, 0.0025664900000000 ] - [ 0.0012367100000000, 0.0017701400000000, 0.0006144900000000 ] - [ -0.0007073900000000, -0.0013191700000000, 0.0000660900000000 ] - [ 0.0010574300000000, -0.0009710000000000, 0.0005313100000000 ] - [ -0.0010198700000000, -0.0006944600000000, -0.0012409800000000 ] - [ -0.0011370400000000, 0.0015835800000000, 0.0000035400000000 ] - [ 0.0032148900000000, 0.0028997000000000, -0.0001928900000000 ] - [ -0.0033076100000000, 0.0060415700000000, -0.0032234000000000 ] - [ 0.0012814900000000, -0.0019645700000000, -0.0003301600000000 ] - [ -0.0002832400000000, -0.0008222400000000, -0.0001454900000000 ] - [ 0.0007860700000000, 0.0004618400000000, -0.0001119800000000 ] - [ 0.0005183100000000, -0.0012252600000000, -0.0004339700000000 ] - [ 0.0228369500000000, 0.0001499100000000, 0.0004034900000000 ] - [ 0.0011416200000000, -0.0010810000000000, -0.0000004400000000 ] - [ 0.0058734100000000, -0.0302851500000000, 0.0072754500000000 ] - [ 0.0011522900000000, -0.0020801600000000, 0.0003724000000000 ] - [ 0.0001897800000000, -0.0002879500000000, -0.0002014300000000 ] - [ 0.0003404900000000, 0.0010398500000000, 0.0005036400000000 ] - [ 0.0004280200000000, -0.0007056700000000, -0.0002765500000000 ] - [ 0.0012076300000000, -0.0012258700000000, -0.0004851300000000 ] - [ 0.0013338100000000, -0.0000143900000000, 0.0002339600000000 ] - [ -0.0006526900000000, -0.0022167200000000, -0.0000092700000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001230100000000, 0.0000531300000000, 0.0001306700000000 ] - [ 0.0019474500000000, 0.0017288400000000, -0.0009076900000000 ] - [ 0.0005751600000000, -0.0010086500000000, 0.0006016500000000 ] - [ 0.0001179000000000, -0.0000539600000000, 0.0001762400000000 ] - [ -0.0001527800000000, -0.0000880000000000, 0.0000043900000000 ] - [ 0.0000480700000000, -0.0000718400000000, 0.0001962800000000 ] - [ -0.0000362800000000, 0.0000086900000000, 0.0000485300000000 ] - [ 0.0001339900000000, 0.0000437800000000, 0.0000802200000000 ] - [ 0.0000824300000000, -0.0001470500000000, 0.0000589100000000 ] - [ -0.0000107600000000, -0.0000771300000000, 0.0002400800000000 ] - [ 0.0014840800000000, 0.0017560100000000, -0.0003444300000000 ] - [ 0.0000844100000000, -0.0001362200000000, 0.0000210100000000 ] - [ -0.0012012700000000, 0.0004106800000000, 0.0013864300000000 ] - [ -0.0001351400000000, -0.0001361900000000, 0.0001053500000000 ] - [ -0.0000609800000000, 0.0001322500000000, 0.0003027900000000 ] - [ -0.0019299500000000, 0.0000342800000000, -0.0004495800000000 ] - [ 0.0000465300000000, -0.0001712200000000, 0.0001350900000000 ] - [ -0.0000848000000000, -0.0000917900000000, 0.0001253800000000 ] - [ 0.0003349500000000, -0.0004153000000000, -0.0001488700000000 ] - [ 0.0000687500000000, -0.0000874600000000, 0.0000944800000000 ] - [ -0.0000783200000000, -0.0000601500000000, -0.0003279700000000 ] - [ 0.0000017900000000, 0.0000262900000000, 0.0000304100000000 ] - [ -0.0000621400000000, -0.0003611100000000, 0.0000926200000000 ] - [ -0.0000992200000000, 0.0001268600000000, 0.0000566100000000 ] - [ 0.0000892200000000, -0.0009805600000000, -0.0002581800000000 ] - [ 0.0000994600000000, -0.0001670400000000, -0.0000515000000000 ] - [ -0.0000249100000000, -0.0006863200000000, -0.0005545000000000 ] - [ 0.0006551200000000, -0.0002386600000000, -0.0002093500000000 ] - [ -0.0001429900000000, -0.0001499300000000, 0.0004409600000000 ] - [ 0.0002505800000000, -0.0004858900000000, 0.0002243400000000 ] - [ -0.0003459600000000, 0.0000254600000000, -0.0011287800000000 ] - [ -0.0009490900000000, -0.0011585800000000, -0.0001386100000000 ] - [ 0.0000135700000000, -0.0005491200000000, 0.0001452800000000 ] - [ -0.0003103400000000, 0.0002837900000000, -0.0002222900000000 ] - [ -0.0000379300000000, 0.0036466200000000, -0.0107660900000000 ] - [ -0.0000885300000000, 0.0000411200000000, -0.0000212200000000 ] - [ 0.0001437500000000, 0.0000983800000000, 0.0003570800000000 ] - [ -0.0081359500000000, 0.0557876400000000, 0.0448090300000000 ] - [ 0.0007743700000000, 0.0003610700000000, 0.0010685300000000 ] - [ 0.0000934700000000, -0.0003088400000000, -0.0000433200000000 ] - [ -0.0003920400000000, 0.0003596100000000, 0.0001900100000000 ] - [ -0.0007283700000000, -0.0003973900000000, -0.0002686900000000 ] - [ 0.0003545600000000, -0.0003405000000000, 0.0005941400000000 ] - [ 0.0023754900000000, 0.0014905100000000, 0.0005467200000000 ] - [ 0.0005904600000000, -0.0003059800000000, -0.0001612700000000 ] - [ 0.0002373300000000, 0.0005730100000000, -0.0002357400000000 ] - [ -0.0001652600000000, -0.0004305600000000, -0.0000165800000000 ] - [ 0.0007406000000000, 0.0000348700000000, -0.0003382200000000 ] - [ 0.0003215900000000, -0.0004366400000000, -0.0005560900000000 ] - [ 0.0010356500000000, -0.0002682700000000, 0.0004199500000000 ] - [ 0.0001138200000000, 0.0002963200000000, -0.0005940900000000 ] - [ 0.0000963900000000, -0.0006209400000000, 0.0001040100000000 ] - [ 0.0010858600000000, 0.0023420800000000, -0.0127663200000000 ] - [ -0.0191562900000000, 0.0191557600000000, 0.0406383600000000 ] - [ -0.0006193300000000, 0.0003304000000000, 0.0003260100000000 ] - [ 0.0004221400000000, 0.0002918000000000, -0.0004588100000000 ] - [ 0.0016067000000000, 0.0011332000000000, -0.0011166400000000 ] - [ 0.0001126500000000, 0.0008335300000000, -0.0004067600000000 ] - [ -0.0012176100000000, -0.0010651300000000, -0.0013445600000000 ] - [ 0.0001553100000000, -0.0010653300000000, 0.0006346500000000 ] - [ -0.0012557400000000, -0.0009911000000000, -0.0003697900000000 ] - [ -0.0000801800000000, -0.0005746800000000, -0.0006129100000000 ] - [ 0.0003642100000000, -0.0003429900000000, -0.0005975800000000 ] - [ -0.0003387000000000, -0.0004207300000000, -0.0006170600000000 ] - [ 0.0003780300000000, -0.0007310700000000, -0.0007053900000000 ] - [ -0.0008441700000000, 0.0001847500000000, 0.0008384200000000 ] - [ -0.0001164200000000, 0.0000189300000000, -0.0006735100000000 ] - [ 0.0004213700000000, 0.0008971600000000, 0.0003086800000000 ] - [ 0.0000713600000000, 0.0003502100000000, -0.0006173900000000 ] - [ 0.0003262800000000, -0.0001986500000000, -0.0006897600000000 ] - [ -0.0008911200000000, -0.0004586400000000, 0.0002880500000000 ] - [ 0.0024754900000000, 0.0018011800000000, 0.0036352700000000 ] - [ 0.0006892600000000, 0.0004687200000000, -0.0001094000000000 ] - [ 0.0003038400000000, 0.0007183500000000, 0.0000616000000000 ] - [ 0.0003294400000000, 0.0002914300000000, 0.0001451100000000 ] - [ 0.0002281400000000, 0.0010670000000000, -0.0032325200000000 ] - [ 0.0356331000000000, -0.1016501200000000, -0.0927832700000000 ] - [ 0.0000038400000000, 0.0001013900000000, -0.0000504900000000 ] - [ -0.0000494400000000, 0.0003615100000000, -0.0001848200000000 ] - [ -0.0007849600000000, 0.0000708100000000, 0.0000627400000000 ] - [ -0.0005900700000000, 0.0002170800000000, -0.0000392100000000 ] - [ -0.0139609400000000, 0.0176221300000000, 0.0145227600000000 ] - [ 0.0001043300000000, -0.0001827400000000, -0.0000531300000000 ] - [ -0.0005435600000000, 0.0002130800000000, -0.0002176500000000 ] - [ -0.0000789100000000, -0.0003651900000000, 0.0002797700000000 ] - [ -0.0014835200000000, -0.0001235700000000, 0.0020076200000000 ] - [ 0.0004628000000000, -0.0000646600000000, -0.0000550600000000 ] - [ -0.0000040900000000, 0.0002523400000000, -0.0000561200000000 ] - [ -0.0010703500000000, -0.0004524300000000, -0.0003923300000000 ] - [ 0.0000588400000000, 0.0002862000000000, -0.0002261000000000 ] - [ -0.0003266200000000, -0.0006225300000000, -0.0010339700000000 ] - [ 0.0006658200000000, -0.0003060500000000, 0.0003513500000000 ] - [ 0.0004135500000000, 0.0002387600000000, -0.0001527000000000 ] - [ -0.0013019200000000, -0.0006715400000000, 0.0028574800000000 ] - [ 0.0001509500000000, 0.0000662600000000, 0.0008055700000000 ] - [ 0.0011910100000000, 0.0002777800000000, 0.0028527300000000 ] - [ -0.0001085700000000, 0.0002258500000000, -0.0001697300000000 ] - [ 0.0001445800000000, -0.0002907200000000, 0.0000139100000000 ] - [ -0.0008581900000000, -0.0001777700000000, -0.0003907600000000 ] - [ -0.0009421800000000, -0.0001845600000000, -0.0004479300000000 ] - [ -0.0000424400000000, 0.0007841700000000, 0.0000227200000000 ] - [ 0.0000184600000000, 0.0004044200000000, 0.0001144900000000 ] - [ 0.0005844200000000, -0.0011634200000000, -0.0006636600000000 ] - [ -0.0005429500000000, 0.0098902800000000, 0.0207261000000000 ] - [ -0.0003901500000000, -0.0002761200000000, -0.0000027000000000 ] - [ 0.0008879300000000, -0.0001906700000000, -0.0000294200000000 ] - [ -0.0000313000000000, 0.0010442700000000, -0.0004498300000000 ] - [ -0.0003336700000000, -0.0001361200000000, -0.0001029700000000 ] - [ -0.0007045300000000, -0.0001344100000000, 0.0002540000000000 ] - [ -0.0003294900000000, 0.0001824800000000, -0.0000557000000000 ] - [ 0.0001255800000000, 0.0000591500000000, -0.0001639100000000 ] - [ 0.0000772200000000, 0.0001914400000000, 0.0000447900000000 ] - [ -0.0001600600000000, -0.0005470900000000, 0.0000124100000000 ] - [ 0.0001301200000000, 0.0002899400000000, -0.0000712400000000 ] - [ -0.0004284100000000, 0.0001685900000000, 0.0001110100000000 ] - [ -0.0003074100000000, -0.0000686100000000, 0.0001389600000000 ] - [ -0.0005629600000000, -0.0002659200000000, 0.0002574800000000 ] - [ 0.0001132000000000, -0.0002791400000000, 0.0008496900000000 ] - [ 0.0002931000000000, 0.0007724600000000, 0.0000805800000000 ] - [ -0.0000433700000000, -0.0000319000000000, 0.0008193100000000 ] - [ -0.0042146700000000, 0.0030450100000000, -0.0034247100000000 ] - [ 0.0000351100000000, 0.0002318100000000, -0.0000459800000000 ] - [ 0.0000363700000000, -0.0001800100000000, -0.0004371400000000 ] - [ 0.0008213700000000, 0.0004513900000000, -0.0003667800000000 ] - [ -0.0000972100000000, -0.0000382500000000, 0.0007798200000000 ] - [ 0.0005675000000000, -0.0001067200000000, 0.0000986000000000 ] - [ -0.0001308300000000, -0.0004286200000000, -0.0000537400000000 ] - [ 0.0001175000000000, -0.0002590900000000, -0.0000406300000000 ] - [ -0.0002115800000000, 0.0004149300000000, 0.0001587200000000 ] - [ 0.0002544100000000, -0.0002686300000000, -0.0002286700000000 ] - [ 0.0000475900000000, 0.0000350500000000, -0.0002479800000000 ] - [ 0.0000994500000000, 0.0000204500000000, -0.0001936200000000 ] - [ -0.0000516500000000, 0.0002365400000000, 0.0008641400000000 ] - [ -0.0000323100000000, 0.0001707500000000, -0.0010333600000000 ] - [ 0.0001952700000000, 0.0001617500000000, 0.0000662800000000 ] - [ 0.0004649900000000, 0.0005843000000000, -0.0004046100000000 ] - [ -0.0005257800000000, 0.0000906400000000, -0.0003037500000000 ] - [ -0.0000293800000000, 0.0000673800000000, -0.0000018700000000 ] - [ -0.0001062900000000, 0.0002180000000000, 0.0008219400000000 ] - [ -0.0000258300000000, 0.0003271900000000, 0.0000379700000000 ] - [ -0.0001130500000000, 0.0002109600000000, -0.0001804500000000 ] - [ -0.0001893300000000, 0.0000299100000000, -0.0000782500000000 ] - [ -0.0001329100000000, 0.0000970100000000, 0.0000956900000000 ] - [ 0.0002222600000000, 0.0003517000000000, 0.0001990200000000 ] - [ 0.0002315500000000, -0.0001058600000000, -0.0001749900000000 ] - [ 0.0000070600000000, -0.0008654300000000, 0.0004626200000000 ] - [ 0.0001974900000000, 0.0001167900000000, 0.0009119500000000 ] - [ 0.0000376600000000, -0.0001385300000000, 0.0001293500000000 ] - [ -0.0001806500000000, 0.0003129200000000, 0.0000841600000000 ] - [ 0.0000888700000000, 0.0000359900000000, -0.0001195100000000 ] - [ -0.0000873900000000, 0.0012373000000000, 0.0029527700000000 ] - [ 0.0000538200000000, -0.0005203600000000, -0.0004016600000000 ] - [ 0.0002193900000000, -0.0000340100000000, -0.0001600900000000 ] - [ 0.0012826200000000, -0.0036137600000000, 0.0062191100000000 ] - [ -0.0002330100000000, 0.0003795600000000, 0.0000485600000000 ] - [ 0.0002286600000000, 0.0008400000000000, 0.0004260100000000 ] - [ -0.0002263000000000, -0.0001037000000000, 0.0000459300000000 ] - [ 0.0000751100000000, 0.0000935100000000, -0.0000852800000000 ] - [ 0.0023207200000000, -0.0009899500000000, -0.0076707200000000 ] - [ 0.0002029400000000, 0.0001128100000000, 0.0000657500000000 ] - [ 0.0019434700000000, -0.0081901500000000, -0.0060832600000000 ] - [ 0.0000134800000000, -0.0001829700000000, -0.0000887200000000 ] - [ -0.0003758100000000, 0.0005593200000000, 0.0000325500000000 ] - [ -0.0001591800000000, -0.0001243400000000, 0.0007506500000000 ] - [ -0.0001142300000000, -0.0008755500000000, -0.0003701400000000 ] - [ 0.0006152600000000, -0.0002960700000000, -0.0003326000000000 ] - [ -0.0001902700000000, 0.0004467400000000, 0.0001301600000000 ] - [ -0.0003425000000000, -0.0000168600000000, 0.0001521800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001674200000000, -0.0000202100000000, 0.0000952100000000 ] - [ -0.0019722100000000, -0.0017329700000000, 0.0010741500000000 ] - [ -0.0004632100000000, 0.0011538200000000, -0.0001490600000000 ] - [ -0.0002279400000000, -0.0000951600000000, 0.0002829900000000 ] - [ -0.0001388200000000, -0.0001164100000000, 0.0000294800000000 ] - [ 0.0001360000000000, 0.0000501300000000, 0.0002643500000000 ] - [ 0.0000367700000000, -0.0000075300000000, 0.0000590900000000 ] - [ -0.0000842400000000, -0.0000764600000000, 0.0001484300000000 ] - [ -0.0000818300000000, 0.0001447300000000, 0.0000476400000000 ] - [ 0.0000854600000000, -0.0000909800000000, 0.0002192300000000 ] - [ -0.0011979600000000, -0.0015516000000000, 0.0003662700000000 ] - [ -0.0000823200000000, 0.0001361300000000, 0.0000324800000000 ] - [ 0.0011088900000000, -0.0004593700000000, -0.0013581900000000 ] - [ 0.0000836300000000, 0.0001128900000000, 0.0001215700000000 ] - [ -0.0001245000000000, -0.0001136800000000, 0.0001527300000000 ] - [ 0.0018428900000000, 0.0001387700000000, 0.0009182500000000 ] - [ -0.0000510200000000, 0.0001137300000000, 0.0000904300000000 ] - [ 0.0001354700000000, 0.0001144700000000, 0.0000999300000000 ] - [ -0.0003652000000000, 0.0007690500000000, 0.0001859000000000 ] - [ -0.0000632000000000, 0.0001421300000000, 0.0001318500000000 ] - [ 0.0004074400000000, -0.0000965300000000, 0.0003724100000000 ] - [ -0.0000023700000000, -0.0000270000000000, 0.0000222500000000 ] - [ 0.0000938900000000, 0.0000037700000000, -0.0000600500000000 ] - [ -0.0002249200000000, 0.0000250000000000, -0.0000223200000000 ] - [ -0.0002241300000000, -0.0003035300000000, -0.0002422100000000 ] - [ -0.0003648800000000, 0.0005203400000000, 0.0000048500000000 ] - [ 0.0013279900000000, -0.0004003600000000, 0.0004449400000000 ] - [ 0.0005145800000000, 0.0007709400000000, -0.0002879300000000 ] - [ 0.0001260200000000, 0.0001963600000000, 0.0003605300000000 ] - [ -0.0005531800000000, -0.0011753300000000, -0.0003286800000000 ] - [ -0.0012387900000000, -0.0006052900000000, 0.0010203500000000 ] - [ 0.0009539800000000, 0.0010959500000000, 0.0009447500000000 ] - [ -0.0000644300000000, 0.0005614800000000, 0.0006616400000000 ] - [ -0.0007338000000000, 0.0004727800000000, -0.0002747900000000 ] - [ 0.0003254400000000, -0.0019588300000000, 0.0106541300000000 ] - [ -0.0003396500000000, -0.0001044700000000, -0.0000201500000000 ] - [ -0.0001175000000000, -0.0000566500000000, 0.0004426600000000 ] - [ 0.0065494700000000, -0.0530438400000000, -0.0448084300000000 ] - [ -0.0007468300000000, -0.0004115700000000, -0.0003007000000000 ] - [ 0.0001717700000000, -0.0000499000000000, -0.0000024200000000 ] - [ 0.0005699100000000, 0.0000588900000000, -0.0002237100000000 ] - [ -0.0004424000000000, -0.0001339900000000, -0.0002310600000000 ] - [ -0.0003031200000000, 0.0003259900000000, 0.0002079300000000 ] - [ -0.0008209900000000, -0.0009480200000000, -0.0006445000000000 ] - [ -0.0001553100000000, 0.0003677700000000, 0.0001178700000000 ] - [ -0.0000984200000000, 0.0007049300000000, -0.0002653100000000 ] - [ -0.0000119300000000, 0.0000131400000000, -0.0000204300000000 ] - [ 0.0003084400000000, -0.0007889900000000, -0.0001625800000000 ] - [ -0.0000455200000000, -0.0005968000000000, -0.0005790000000000 ] - [ 0.0006297600000000, 0.0006419200000000, 0.0002530200000000 ] - [ -0.0003297500000000, 0.0003327200000000, -0.0006808000000000 ] - [ 0.0010679000000000, -0.0006224400000000, 0.0005678100000000 ] - [ -0.0004093000000000, -0.0029083100000000, 0.0130891600000000 ] - [ 0.0183400000000000, -0.0194283300000000, -0.0398659300000000 ] - [ -0.0005498800000000, 0.0009123100000000, 0.0003429500000000 ] - [ 0.0002999400000000, -0.0003976300000000, -0.0008121000000000 ] - [ -0.0018856300000000, -0.0000986800000000, -0.0000299700000000 ] - [ 0.0000589100000000, -0.0000042300000000, 0.0007579700000000 ] - [ 0.0004375000000000, 0.0007916700000000, 0.0017043300000000 ] - [ -0.0006455000000000, -0.0005725000000000, 0.0000305800000000 ] - [ 0.0002044200000000, 0.0012876700000000, -0.0007497600000000 ] - [ -0.0006583300000000, -0.0002016100000000, -0.0005244800000000 ] - [ 0.0006915500000000, 0.0000665600000000, -0.0005410400000000 ] - [ -0.0000786500000000, -0.0001485000000000, -0.0006543300000000 ] - [ -0.0001590100000000, 0.0000973500000000, -0.0005678100000000 ] - [ 0.0001733500000000, 0.0003776000000000, -0.0004835500000000 ] - [ -0.0005970400000000, 0.0000991300000000, -0.0005920600000000 ] - [ 0.0000821400000000, 0.0007302900000000, 0.0003629100000000 ] - [ 0.0006747800000000, 0.0004112100000000, -0.0005161800000000 ] - [ 0.0000913800000000, 0.0007645900000000, -0.0005795800000000 ] - [ -0.0007728500000000, 0.0000797400000000, 0.0003864300000000 ] - [ -0.0017031400000000, -0.0015181000000000, -0.0033011900000000 ] - [ -0.0000740400000000, -0.0001777700000000, 0.0002926900000000 ] - [ 0.0004258500000000, -0.0003726700000000, 0.0001996100000000 ] - [ 0.0005330400000000, -0.0000306000000000, 0.0001194800000000 ] - [ -0.0010159600000000, -0.0006563400000000, 0.0032861000000000 ] - [ -0.0344345100000000, 0.0993475900000000, 0.0922838500000000 ] - [ 0.0001779700000000, 0.0001804200000000, -0.0000702600000000 ] - [ 0.0001102700000000, 0.0001299600000000, -0.0001520500000000 ] - [ -0.0003115700000000, -0.0001087000000000, -0.0000637600000000 ] - [ -0.0001225500000000, 0.0000348200000000, -0.0000129900000000 ] - [ 0.0135644300000000, -0.0174733200000000, -0.0144638200000000 ] - [ 0.0005116000000000, -0.0007937400000000, 0.0000730300000000 ] - [ -0.0008516900000000, 0.0006819600000000, -0.0004958900000000 ] - [ 0.0006393500000000, -0.0000212800000000, -0.0001054600000000 ] - [ 0.0014869000000000, 0.0010308000000000, -0.0019315500000000 ] - [ 0.0006270600000000, 0.0001003100000000, 0.0000522700000000 ] - [ -0.0001525900000000, 0.0000482500000000, -0.0000632200000000 ] - [ 0.0008838100000000, 0.0001713000000000, 0.0002908500000000 ] - [ 0.0000305000000000, 0.0000822200000000, -0.0002037500000000 ] - [ 0.0003780400000000, 0.0008431600000000, 0.0009936800000000 ] - [ -0.0004373700000000, -0.0001874400000000, -0.0002648600000000 ] - [ 0.0001233300000000, -0.0000624900000000, 0.0000189900000000 ] - [ 0.0015044200000000, 0.0007366300000000, -0.0028912700000000 ] - [ 0.0000047000000000, -0.0000385600000000, 0.0008129900000000 ] - [ -0.0012392800000000, -0.0005127700000000, -0.0028959900000000 ] - [ -0.0002764200000000, 0.0000703500000000, -0.0001606600000000 ] - [ 0.0002753700000000, -0.0000893200000000, -0.0001470400000000 ] - [ -0.0006129400000000, -0.0005796500000000, -0.0003212100000000 ] - [ 0.0008278000000000, -0.0003669200000000, 0.0003105800000000 ] - [ -0.0000735500000000, -0.0000619400000000, -0.0000659600000000 ] - [ 0.0001917900000000, 0.0004698400000000, 0.0001521800000000 ] - [ -0.0006399800000000, 0.0004860800000000, 0.0008469300000000 ] - [ -0.0000564000000000, -0.0100036300000000, -0.0203077900000000 ] - [ -0.0001776800000000, -0.0002116200000000, -0.0000470600000000 ] - [ -0.0002365700000000, -0.0004305600000000, 0.0002906800000000 ] - [ 0.0001109000000000, 0.0006152700000000, -0.0002650800000000 ] - [ 0.0000071400000000, -0.0002977300000000, 0.0001913600000000 ] - [ -0.0000992700000000, -0.0003062700000000, -0.0001708900000000 ] - [ -0.0001268500000000, -0.0003743300000000, -0.0002812400000000 ] - [ 0.0003285100000000, 0.0001347100000000, -0.0001722300000000 ] - [ 0.0002308800000000, 0.0002593200000000, 0.0000387300000000 ] - [ 0.0001661400000000, -0.0003647600000000, 0.0000657300000000 ] - [ 0.0004149500000000, -0.0003378700000000, 0.0001572400000000 ] - [ -0.0002415100000000, 0.0002698200000000, 0.0001473300000000 ] - [ -0.0004192500000000, -0.0002844400000000, 0.0001234500000000 ] - [ 0.0003504800000000, -0.0006059400000000, 0.0000103600000000 ] - [ -0.0002880800000000, 0.0004278500000000, -0.0008910300000000 ] - [ 0.0002418200000000, 0.0002092300000000, -0.0000795900000000 ] - [ 0.0001510000000000, -0.0000952000000000, 0.0008036600000000 ] - [ 0.0045522100000000, -0.0030941500000000, 0.0031375200000000 ] - [ -0.0001031600000000, -0.0003443200000000, 0.0000613400000000 ] - [ -0.0001302400000000, 0.0004700400000000, 0.0001514200000000 ] - [ 0.0006492200000000, 0.0003062800000000, -0.0003452900000000 ] - [ 0.0000413300000000, -0.0001115900000000, 0.0008353100000000 ] - [ 0.0002169400000000, -0.0003565800000000, -0.0000195400000000 ] - [ -0.0004040300000000, -0.0005536200000000, 0.0000547700000000 ] - [ 0.0000008900000000, -0.0004583800000000, -0.0000020400000000 ] - [ -0.0004424800000000, 0.0002004700000000, 0.0001043900000000 ] - [ 0.0005469600000000, 0.0007282400000000, 0.0003132400000000 ] - [ 0.0002303800000000, -0.0002964500000000, -0.0001834000000000 ] - [ 0.0002632500000000, 0.0000886600000000, -0.0002352900000000 ] - [ 0.0001059300000000, -0.0000849800000000, 0.0007493000000000 ] - [ -0.0001737300000000, -0.0002322700000000, 0.0009946800000000 ] - [ -0.0001256300000000, -0.0000497300000000, -0.0000512100000000 ] - [ -0.0003051800000000, -0.0008825300000000, 0.0002702400000000 ] - [ 0.0001601400000000, -0.0001972400000000, -0.0001204800000000 ] - [ 0.0001025500000000, -0.0001916900000000, 0.0000172700000000 ] - [ -0.0000484100000000, -0.0002450500000000, 0.0007939200000000 ] - [ -0.0001960100000000, 0.0001681600000000, 0.0000489400000000 ] - [ -0.0001654900000000, 0.0000523300000000, -0.0002527500000000 ] - [ 0.0003152300000000, -0.0000320200000000, 0.0000936900000000 ] - [ -0.0002058400000000, -0.0000808100000000, -0.0002210700000000 ] - [ -0.0005641500000000, -0.0002939700000000, -0.0004671700000000 ] - [ -0.0003201400000000, -0.0002636400000000, -0.0002587600000000 ] - [ 0.0006628100000000, 0.0004232400000000, -0.0002020300000000 ] - [ -0.0001383300000000, 0.0005639900000000, -0.0007501800000000 ] - [ 0.0001674400000000, 0.0003910600000000, -0.0004004900000000 ] - [ -0.0003637000000000, -0.0002635800000000, 0.0000008000000000 ] - [ 0.0002483300000000, -0.0000490200000000, -0.0000013100000000 ] - [ -0.0004448000000000, -0.0013859000000000, -0.0030669100000000 ] - [ -0.0001164100000000, 0.0000246500000000, 0.0000657800000000 ] - [ 0.0003309000000000, 0.0005110000000000, 0.0001121700000000 ] - [ -0.0011718800000000, 0.0033099500000000, -0.0065049200000000 ] - [ 0.0001574200000000, -0.0002512200000000, -0.0000316000000000 ] - [ -0.0001121800000000, -0.0002911600000000, -0.0005681600000000 ] - [ 0.0000918000000000, 0.0001058600000000, -0.0000299900000000 ] - [ 0.0003096900000000, -0.0003879300000000, -0.0002456700000000 ] - [ -0.0028801500000000, 0.0014188700000000, 0.0075359900000000 ] - [ 0.0005086400000000, -0.0003619300000000, -0.0001197000000000 ] - [ -0.0021613400000000, 0.0079990400000000, 0.0057777000000000 ] - [ -0.0000457900000000, -0.0006175800000000, 0.0003486300000000 ] - [ -0.0002425800000000, 0.0004204400000000, -0.0000112300000000 ] - [ 0.0000483200000000, 0.0002495100000000, 0.0008770200000000 ] - [ 0.0000306200000000, -0.0007798600000000, -0.0003438000000000 ] - [ 0.0007788100000000, -0.0006011000000000, -0.0003800500000000 ] - [ 0.0002185000000000, 0.0003584700000000, 0.0001302400000000 ] - [ -0.0005191700000000, -0.0002361400000000, 0.0001124400000000 ]- atom: 78 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0004489400000000, -0.0000645600000000, -0.0000611000000000 ] - [ -0.0011228400000000, 0.0000819100000000, 0.0001043300000000 ] - [ -0.0003841700000000, 0.0000376900000000, 0.0002154000000000 ] - [ 0.0007784500000000, -0.0024626700000000, -0.0000089200000000 ] - [ 0.0006465700000000, 0.0023826300000000, -0.0000310200000000 ] - [ -0.0000928100000000, 0.0003776600000000, 0.0002072400000000 ] - [ -0.0001029100000000, 0.0005051900000000, 0.0000803800000000 ] - [ -0.0034452500000000, 0.0002953800000000, 0.0002586300000000 ] - [ 0.0000184900000000, -0.0004561300000000, 0.0000831500000000 ] - [ 0.0016520800000000, 0.0010975800000000, 0.0001053200000000 ] - [ -0.0002926900000000, 0.0001445000000000, -0.0000002100000000 ] - [ -0.0000882100000000, -0.0006770300000000, 0.0000094200000000 ] - [ -0.0007495100000000, 0.0000326700000000, 0.0000468400000000 ] - [ 0.0000334800000000, 0.0001299500000000, 0.0001162400000000 ] - [ -0.0002821500000000, -0.0003288900000000, 0.0002245000000000 ] - [ -0.0005586700000000, 0.0001731600000000, 0.0002247300000000 ] - [ 0.0000038800000000, -0.0001095700000000, 0.0001119900000000 ] - [ 0.0000492500000000, 0.0000744000000000, 0.0001144200000000 ] - [ -0.0001881900000000, -0.0002198400000000, -0.0000052700000000 ] - [ 0.0000636700000000, -0.0001108200000000, 0.0001276000000000 ] - [ -0.0003463800000000, -0.0001412500000000, 0.0000044100000000 ] - [ -0.0000099700000000, 0.0004282700000000, 0.0000019100000000 ] - [ -0.0001648000000000, 0.0001491900000000, 0.0000193600000000 ] - [ 0.0014341400000000, -0.0010718400000000, 0.0002582800000000 ] - [ -0.0006298500000000, -0.0012624600000000, -0.0003164200000000 ] - [ -0.0002635300000000, -0.0004909500000000, -0.0000112300000000 ] - [ -0.0002519300000000, 0.0014955600000000, -0.0003805400000000 ] - [ 0.0006185200000000, -0.0001132400000000, -0.0002932900000000 ] - [ 0.0006059800000000, 0.0009962200000000, 0.0004577700000000 ] - [ -0.0077307200000000, -0.0002314800000000, 0.0030199400000000 ] - [ -0.0020952700000000, -0.0020308000000000, -0.0001189600000000 ] - [ -0.0005404700000000, -0.0003069700000000, 0.0003994400000000 ] - [ -0.0004670500000000, 0.0003287500000000, 0.0003999900000000 ] - [ -0.0003237000000000, -0.0028119300000000, -0.0030094100000000 ] - [ -0.0011162600000000, 0.0008713800000000, -0.0000452200000000 ] - [ 0.0001750800000000, 0.0054031600000000, 0.0002166100000000 ] - [ 0.0167272600000000, -0.0007234900000000, 0.0017581500000000 ] - [ -0.0017795100000000, 0.0003560600000000, 0.0000233700000000 ] - [ -0.0013698700000000, -0.0001080200000000, 0.0002905600000000 ] - [ 0.0000498000000000, 0.0002336300000000, -0.0000337500000000 ] - [ -0.0003561000000000, 0.0009022700000000, 0.0000713200000000 ] - [ -0.0006795100000000, 0.0003747200000000, -0.0002517700000000 ] - [ 0.0005799700000000, -0.0012930000000000, 0.0004578600000000 ] - [ -0.0003707500000000, 0.0006924000000000, -0.0001218300000000 ] - [ -0.0009918400000000, -0.0005615300000000, 0.0001341200000000 ] - [ 0.0012403500000000, 0.0011353700000000, -0.0002749400000000 ] - [ 0.0008806500000000, -0.0009902400000000, 0.0002270000000000 ] - [ -0.0005662600000000, 0.0003664000000000, -0.0001148200000000 ] - [ 0.0352660000000000, -0.0012112700000000, 0.0058667000000000 ] - [ 0.0006971800000000, -0.0005998100000000, 0.0003445800000000 ] - [ 0.0008705400000000, 0.0012047800000000, -0.0006444500000000 ] - [ -0.0000981600000000, 0.0000106800000000, 0.0002833400000000 ] - [ -0.0011070000000000, -0.0006769400000000, 0.0000989400000000 ] - [ -0.0014943900000000, -0.0004231300000000, 0.0002034800000000 ] - [ 0.0011920900000000, -0.0000194500000000, 0.0002118800000000 ] - [ -0.0009626200000000, 0.0007687700000000, -0.0009148800000000 ] - [ -0.0016876600000000, 0.0006731800000000, -0.0004257000000000 ] - [ -0.0052988800000000, -0.0001450500000000, -0.0043384100000000 ] - [ -0.0016111100000000, 0.0001420400000000, 0.0001969300000000 ] - [ -0.0015667100000000, -0.0015694400000000, 0.0003089600000000 ] - [ -0.0009889100000000, -0.0002161300000000, -0.0005681600000000 ] - [ 0.0003277300000000, -0.0014909500000000, -0.0005875100000000 ] - [ 0.0011533200000000, 0.0013063300000000, -0.0006963100000000 ] - [ -0.0003639200000000, 0.0004481900000000, -0.0006645100000000 ] - [ -0.0003616700000000, -0.0010934300000000, -0.0005631500000000 ] - [ -0.0021138000000000, 0.0024402300000000, 0.0009233900000000 ] - [ 0.0006133900000000, -0.0051195100000000, 0.0015580400000000 ] - [ 0.0010996300000000, 0.0032687200000000, 0.0025431000000000 ] - [ -0.0002684500000000, 0.0006979500000000, -0.0005658200000000 ] - [ 0.0001647900000000, -0.0002127200000000, -0.0006616300000000 ] - [ -0.0008259600000000, 0.0002232700000000, 0.0003413400000000 ] - [ -0.0006937500000000, -0.0022873900000000, 0.0003214500000000 ] - [ 0.0006747800000000, -0.0007099000000000, -0.0000251200000000 ] - [ 0.0004761100000000, 0.0003999500000000, 0.0001837100000000 ] - [ 0.0004593000000000, 0.0007362800000000, 0.0000852400000000 ] - [ 0.0000958400000000, 0.0005499700000000, -0.0000069400000000 ] - [ 0.0008941400000000, -0.0002480100000000, -0.0001084200000000 ] - [ -0.0418550600000000, -0.0024914900000000, -0.0105581000000000 ] - [ -0.0019695100000000, 0.0018741900000000, -0.0004650200000000 ] - [ 0.0002677500000000, 0.0009811000000000, -0.0007072600000000 ] - [ -0.0012011300000000, 0.0002241700000000, -0.0001441600000000 ] - [ 0.0003151600000000, 0.0001705200000000, 0.0000671100000000 ] - [ 0.0003739500000000, -0.0000028600000000, -0.0000577100000000 ] - [ -0.0001563000000000, -0.0002368500000000, -0.0002019800000000 ] - [ 0.0076480500000000, 0.0011057400000000, 0.0019674000000000 ] - [ 0.0011556000000000, 0.0004785300000000, 0.0000688700000000 ] - [ 0.0014002200000000, -0.0009268200000000, 0.0002054800000000 ] - [ -0.0003383500000000, -0.0003449600000000, -0.0000192900000000 ] - [ 0.0005075400000000, -0.0001567800000000, -0.0001046600000000 ] - [ -0.0006171000000000, 0.0003743600000000, -0.0002540900000000 ] - [ 0.0018923900000000, 0.0016337400000000, -0.0008508800000000 ] - [ 0.0006193300000000, -0.0003300200000000, 0.0000300500000000 ] - [ 0.0002775300000000, -0.0011951400000000, -0.0000923900000000 ] - [ 0.0013875000000000, 0.0004778700000000, -0.0000980300000000 ] - [ 0.0001370200000000, -0.0002871100000000, 0.0008130000000000 ] - [ 0.0007026200000000, -0.0000758300000000, 0.0001052300000000 ] - [ -0.0001228100000000, -0.0001431900000000, -0.0001363700000000 ] - [ 0.0031622300000000, -0.0011635300000000, 0.0102180100000000 ] - [ -0.0006458100000000, -0.0000281800000000, -0.0002766300000000 ] - [ -0.0002004000000000, 0.0010457200000000, -0.0002248300000000 ] - [ -0.0000281200000000, 0.0005787300000000, -0.0000487100000000 ] - [ -0.0017426100000000, -0.0073830000000000, 0.0138771300000000 ] - [ 0.0004689700000000, 0.0004376000000000, -0.0000288300000000 ] - [ 0.0002851400000000, -0.0000124300000000, 0.0000570900000000 ] - [ -0.0015687200000000, 0.0041140700000000, -0.0069528000000000 ] - [ 0.0007318000000000, -0.0003829800000000, 0.0001153800000000 ] - [ 0.0005650900000000, 0.0015398400000000, -0.0004597700000000 ] - [ 0.0005089800000000, -0.0001438300000000, 0.0001099800000000 ] - [ -0.0005985100000000, 0.0008975000000000, 0.0001003200000000 ] - [ 0.0003412400000000, 0.0005388300000000, -0.0000493900000000 ] - [ -0.0010875500000000, -0.0014665500000000, 0.0002563000000000 ] - [ -0.0045412100000000, -0.0010111900000000, -0.0026057800000000 ] - [ 0.0026937800000000, 0.0030161000000000, -0.0193765300000000 ] - [ 0.0003841300000000, 0.0006690400000000, -0.0000090500000000 ] - [ -0.0077157500000000, 0.0035555700000000, 0.0068031200000000 ] - [ -0.0002871000000000, -0.0008454400000000, 0.0001429700000000 ] - [ 0.0008635500000000, -0.0004183200000000, -0.0002664200000000 ] - [ 0.0017991200000000, -0.0015624300000000, 0.0009599000000000 ] - [ 0.0001458600000000, 0.0009318500000000, 0.0000210400000000 ] - [ 0.0016660200000000, 0.0050944300000000, 0.0001607700000000 ] - [ 0.0011521000000000, 0.0005405000000000, 0.0000742300000000 ] - [ -0.0003212900000000, 0.0001955400000000, 0.0000075200000000 ] - [ 0.0017621400000000, -0.0021368400000000, -0.0012634700000000 ] - [ 0.0007605100000000, 0.0000857500000000, -0.0003451400000000 ] - [ -0.0004171400000000, -0.0003352500000000, 0.0008921700000000 ] - [ 0.0002278700000000, -0.0015778700000000, 0.0002762300000000 ] - [ -0.0002146800000000, -0.0010128600000000, 0.0001079600000000 ] - [ 0.0001218000000000, -0.0009247000000000, -0.0000316400000000 ] - [ -0.0011123000000000, 0.0001251700000000, 0.0001721000000000 ] - [ 0.0009188600000000, -0.0001952100000000, 0.0000461700000000 ] - [ 0.0001888900000000, 0.0002027200000000, -0.0002226300000000 ] - [ -0.0007729900000000, -0.0025036000000000, -0.0008621800000000 ] - [ 0.0002443600000000, 0.0003600400000000, 0.0008226500000000 ] - [ 0.0011496800000000, -0.0004636100000000, 0.0000371200000000 ] - [ 0.0000915600000000, -0.0003901300000000, -0.0000493800000000 ] - [ 0.0003026500000000, -0.0000107300000000, -0.0000637300000000 ] - [ 0.0003349400000000, 0.0002369100000000, -0.0002225100000000 ] - [ -0.0000918500000000, -0.0003031300000000, 0.0000265000000000 ] - [ -0.0001298800000000, 0.0001907400000000, 0.0008106400000000 ] - [ -0.0011739500000000, -0.0001145300000000, -0.0002826300000000 ] - [ -0.0000991100000000, -0.0001065300000000, -0.0002298000000000 ] - [ 0.0008000000000000, 0.0006441200000000, 0.0005410200000000 ] - [ 0.0000736800000000, -0.0001221100000000, -0.0000643800000000 ] - [ 0.0007444100000000, -0.0004274600000000, -0.0002782500000000 ] - [ 0.0002318000000000, -0.0004451600000000, -0.0002587400000000 ] - [ 0.0010350500000000, -0.0003118800000000, 0.0000221800000000 ] - [ 0.0005279500000000, 0.0001017700000000, 0.0001134800000000 ] - [ 0.0013266700000000, 0.0021578700000000, 0.0011507400000000 ] - [ -0.0001858400000000, -0.0002355500000000, -0.0000134300000000 ] - [ -0.0000819500000000, 0.0004935000000000, -0.0000826100000000 ] - [ 0.0002410200000000, 0.0003707900000000, -0.0000405800000000 ] - [ 0.0006836900000000, -0.0009232800000000, -0.0002572700000000 ] - [ 0.0011682100000000, 0.0000038200000000, 0.0003683200000000 ] - [ 0.0007580600000000, -0.0002919100000000, -0.0000128900000000 ] - [ -0.0000563900000000, 0.0005070100000000, 0.0000723400000000 ] - [ 0.0006758900000000, -0.0000759500000000, 0.0000096800000000 ] - [ 0.0001318700000000, -0.0010318600000000, -0.0007694400000000 ] - [ 0.0003084700000000, 0.0001616500000000, -0.0001654100000000 ] - [ 0.0009241200000000, 0.0002482400000000, -0.0000296700000000 ] - [ 0.0007714000000000, -0.0000113000000000, -0.0000677500000000 ] - [ 0.0005796600000000, -0.0000149100000000, -0.0002086900000000 ] - [ 0.0004847300000000, -0.0003271500000000, 0.0001145900000000 ] - [ -0.0004434100000000, 0.0000494500000000, 0.0000306400000000 ] - [ 0.0004590100000000, -0.0003159200000000, 0.0009075200000000 ] - [ -0.0006036900000000, -0.0018520200000000, -0.0009015400000000 ] - [ -0.0002300700000000, 0.0008416900000000, 0.0002048100000000 ] - [ -0.0008121800000000, 0.0007661200000000, 0.0002939200000000 ] - [ -0.0003482000000000, -0.0002991900000000, 0.0001391000000000 ]- atom: 78 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0003941700000000, 0.0000984000000000, 0.0002840800000000 ] - [ 0.0011189200000000, -0.0000818500000000, 0.0000198900000000 ] - [ 0.0004957000000000, 0.0001104500000000, 0.0002432600000000 ] - [ -0.0008823200000000, 0.0023136500000000, 0.0004678300000000 ] - [ -0.0009289600000000, -0.0025908800000000, 0.0000661900000000 ] - [ 0.0002774800000000, -0.0003988600000000, 0.0002525500000000 ] - [ 0.0001021200000000, -0.0005037700000000, 0.0000268300000000 ] - [ 0.0035024400000000, -0.0003299400000000, -0.0000313000000000 ] - [ -0.0000200800000000, 0.0004541800000000, 0.0000231600000000 ] - [ -0.0015717400000000, -0.0012691200000000, 0.0003493200000000 ] - [ 0.0005849700000000, 0.0000604900000000, 0.0000339600000000 ] - [ 0.0000888200000000, 0.0006786900000000, 0.0000445000000000 ] - [ 0.0007495300000000, -0.0000320900000000, 0.0000765100000000 ] - [ -0.0000844600000000, -0.0001530300000000, 0.0001106300000000 ] - [ 0.0000971700000000, 0.0003501300000000, 0.0002351700000000 ] - [ 0.0004858700000000, -0.0000054500000000, 0.0002353400000000 ] - [ -0.0000088400000000, 0.0000538900000000, 0.0001142000000000 ] - [ 0.0000018100000000, -0.0000520900000000, 0.0001120700000000 ] - [ 0.0001551600000000, 0.0005765400000000, 0.0000397200000000 ] - [ -0.0000585400000000, 0.0001671800000000, 0.0000986200000000 ] - [ 0.0006727100000000, -0.0000109200000000, 0.0000311800000000 ] - [ 0.0000079000000000, -0.0004288300000000, 0.0000513700000000 ] - [ 0.0001977200000000, -0.0005061800000000, 0.0000149400000000 ] - [ -0.0017559400000000, 0.0012271000000000, -0.0002237500000000 ] - [ 0.0004927700000000, -0.0000166600000000, -0.0001838100000000 ] - [ -0.0000032500000000, 0.0008477700000000, -0.0000347600000000 ] - [ 0.0015540300000000, -0.0025890000000000, 0.0002699500000000 ] - [ 0.0005504500000000, 0.0006432200000000, -0.0002049000000000 ] - [ -0.0006202000000000, -0.0009499800000000, 0.0003449500000000 ] - [ 0.0074198800000000, -0.0014441300000000, -0.0030726800000000 ] - [ 0.0004940500000000, 0.0014565500000000, 0.0000128900000000 ] - [ 0.0005567400000000, 0.0002604200000000, 0.0004031500000000 ] - [ 0.0004174800000000, -0.0003154300000000, 0.0004039000000000 ] - [ -0.0007650300000000, 0.0035523600000000, 0.0025506200000000 ] - [ 0.0014230400000000, 0.0007914400000000, -0.0000632900000000 ] - [ -0.0006158500000000, -0.0054480300000000, -0.0002470500000000 ] - [ -0.0167649500000000, 0.0007171800000000, -0.0018256900000000 ] - [ 0.0004764700000000, 0.0007394200000000, -0.0001314500000000 ] - [ 0.0013485500000000, 0.0000671000000000, 0.0005101700000000 ] - [ 0.0002164200000000, -0.0005885800000000, -0.0000121200000000 ] - [ 0.0005326700000000, -0.0004862300000000, -0.0001075800000000 ] - [ -0.0004908500000000, -0.0009058300000000, -0.0002472100000000 ] - [ -0.0005287400000000, 0.0012799400000000, 0.0003459000000000 ] - [ 0.0019701200000000, -0.0001204500000000, 0.0000187200000000 ] - [ 0.0014225100000000, 0.0006273800000000, -0.0001784000000000 ] - [ -0.0011006800000000, 0.0001472400000000, -0.0002259200000000 ] - [ -0.0010576900000000, 0.0005725500000000, -0.0002662100000000 ] - [ 0.0016138900000000, -0.0011249900000000, -0.0003868800000000 ] - [ -0.0349229400000000, 0.0001417400000000, -0.0056411200000000 ] - [ 0.0009666200000000, 0.0009770100000000, 0.0003293300000000 ] - [ -0.0010867300000000, -0.0005699400000000, -0.0006291900000000 ] - [ 0.0012678500000000, -0.0012547600000000, 0.0003863100000000 ] - [ 0.0017661700000000, 0.0001170500000000, 0.0002610200000000 ] - [ 0.0013328400000000, -0.0004051100000000, 0.0001468500000000 ] - [ -0.0023580000000000, 0.0012560600000000, 0.0004569400000000 ] - [ 0.0016722900000000, -0.0008910100000000, -0.0003495200000000 ] - [ 0.0014177100000000, 0.0003594100000000, -0.0007129400000000 ] - [ 0.0054780600000000, 0.0009870900000000, 0.0046446400000000 ] - [ 0.0008318000000000, -0.0004292700000000, 0.0001512800000000 ] - [ 0.0010592600000000, -0.0000584000000000, 0.0003630900000000 ] - [ -0.0000673700000000, 0.0004941800000000, -0.0005696500000000 ] - [ -0.0010680600000000, 0.0007189200000000, -0.0005490000000000 ] - [ -0.0000968200000000, -0.0015835300000000, -0.0004427400000000 ] - [ -0.0000526700000000, -0.0010179600000000, -0.0006059500000000 ] - [ 0.0005796300000000, 0.0004644300000000, -0.0007113800000000 ] - [ 0.0014510700000000, -0.0018781900000000, -0.0005607500000000 ] - [ -0.0013403700000000, 0.0052262600000000, -0.0028460000000000 ] - [ -0.0006313100000000, -0.0016371300000000, -0.0018920500000000 ] - [ 0.0010112800000000, 0.0000738000000000, -0.0005699100000000 ] - [ 0.0002514200000000, 0.0007819000000000, -0.0006089900000000 ] - [ -0.0008386000000000, -0.0005989800000000, 0.0003326500000000 ] - [ 0.0014725100000000, 0.0025735700000000, 0.0000279400000000 ] - [ -0.0000608700000000, 0.0010044900000000, 0.0002034100000000 ] - [ 0.0002513200000000, -0.0000464900000000, 0.0000790900000000 ] - [ 0.0004030900000000, -0.0004782800000000, 0.0001797400000000 ] - [ -0.0008794100000000, -0.0000887900000000, 0.0000862900000000 ] - [ -0.0007243900000000, 0.0000936300000000, 0.0000656600000000 ] - [ 0.0418059400000000, 0.0028266300000000, 0.0099974700000000 ] - [ 0.0020331600000000, -0.0013821100000000, 0.0001315900000000 ] - [ -0.0013594600000000, -0.0010171800000000, 0.0007099700000000 ] - [ 0.0004880100000000, 0.0000262900000000, 0.0000915300000000 ] - [ -0.0008799400000000, 0.0002152500000000, 0.0001098300000000 ] - [ 0.0002433400000000, -0.0009765100000000, 0.0000786600000000 ] - [ -0.0012407200000000, 0.0011343200000000, -0.0005116900000000 ] - [ -0.0069697900000000, -0.0014635900000000, -0.0017669000000000 ] - [ -0.0011652800000000, 0.0004322400000000, 0.0000103300000000 ] - [ -0.0002999300000000, 0.0009634900000000, -0.0002079500000000 ] - [ 0.0001806000000000, 0.0006461800000000, -0.0001001800000000 ] - [ -0.0006911600000000, -0.0001253200000000, -0.0000144900000000 ] - [ 0.0007060600000000, -0.0000033000000000, -0.0001740900000000 ] - [ -0.0018446400000000, -0.0014132000000000, 0.0008045200000000 ] - [ -0.0003978800000000, -0.0001652700000000, 0.0000570500000000 ] - [ 0.0002563900000000, 0.0013701200000000, -0.0000423600000000 ] - [ -0.0011646700000000, -0.0004142000000000, 0.0000552200000000 ] - [ 0.0000181900000000, 0.0003150400000000, 0.0008052200000000 ] - [ -0.0007530400000000, -0.0001460500000000, -0.0001457800000000 ] - [ -0.0002631000000000, 0.0004387200000000, -0.0001940600000000 ] - [ -0.0027366100000000, 0.0007701200000000, -0.0102726600000000 ] - [ -0.0008248900000000, -0.0007296200000000, -0.0004351600000000 ] - [ 0.0000851000000000, -0.0015976200000000, 0.0000845100000000 ] - [ -0.0000885500000000, 0.0001389800000000, 0.0000063700000000 ] - [ 0.0019901200000000, 0.0083033200000000, -0.0136936600000000 ] - [ -0.0005198600000000, -0.0011179400000000, 0.0002047500000000 ] - [ -0.0009000300000000, -0.0002826200000000, 0.0001217300000000 ] - [ 0.0010167700000000, -0.0046140900000000, 0.0069490800000000 ] - [ -0.0000779600000000, -0.0002341600000000, 0.0001479200000000 ] - [ -0.0004823300000000, 0.0001157200000000, -0.0002554400000000 ] - [ -0.0008175200000000, -0.0003082200000000, -0.0000274100000000 ] - [ -0.0002012100000000, -0.0013418900000000, -0.0000167300000000 ] - [ -0.0007968600000000, -0.0007341000000000, -0.0002862400000000 ] - [ 0.0015416100000000, 0.0016545300000000, -0.0005919300000000 ] - [ 0.0048821000000000, 0.0014433700000000, 0.0026762200000000 ] - [ -0.0026803800000000, -0.0038805400000000, 0.0192816000000000 ] - [ 0.0001607600000000, -0.0007188000000000, 0.0000953200000000 ] - [ 0.0071176700000000, -0.0030973600000000, -0.0064991100000000 ] - [ -0.0004404200000000, 0.0004927000000000, 0.0001199600000000 ] - [ -0.0010776700000000, -0.0004557300000000, 0.0005374500000000 ] - [ -0.0019679700000000, 0.0017101600000000, -0.0009943900000000 ] - [ 0.0003895200000000, 0.0000488000000000, -0.0000195900000000 ] - [ -0.0015726900000000, -0.0052758300000000, 0.0014678500000000 ] - [ -0.0008081400000000, -0.0006032300000000, -0.0003407500000000 ] - [ 0.0002531100000000, -0.0003054200000000, 0.0000078400000000 ] - [ -0.0018568900000000, 0.0024274300000000, 0.0009712100000000 ] - [ 0.0007098500000000, 0.0006712000000000, -0.0003666100000000 ] - [ 0.0003612200000000, 0.0001832800000000, 0.0007230400000000 ] - [ 0.0005567400000000, 0.0011157700000000, -0.0001956200000000 ] - [ -0.0003196600000000, 0.0000316400000000, -0.0001065500000000 ] - [ -0.0000044600000000, 0.0002077500000000, -0.0000109300000000 ] - [ 0.0004573900000000, 0.0004902200000000, 0.0000919700000000 ] - [ -0.0001205000000000, 0.0006415800000000, 0.0000368800000000 ] - [ 0.0000895300000000, -0.0004656100000000, -0.0002091200000000 ] - [ 0.0011485100000000, 0.0026192500000000, 0.0004321800000000 ] - [ -0.0001896200000000, -0.0002103800000000, 0.0007918300000000 ] - [ -0.0013713700000000, 0.0003997300000000, -0.0000803900000000 ] - [ -0.0000234000000000, 0.0005018500000000, 0.0000649500000000 ] - [ -0.0001455200000000, -0.0002907500000000, -0.0000565700000000 ] - [ -0.0006974300000000, -0.0003461200000000, -0.0002039100000000 ] - [ 0.0001655100000000, 0.0001764700000000, -0.0000100600000000 ] - [ -0.0000249600000000, -0.0002183400000000, 0.0008070500000000 ] - [ 0.0009491100000000, 0.0006111200000000, 0.0003684800000000 ] - [ -0.0001796800000000, 0.0003684500000000, -0.0002024100000000 ] - [ -0.0006532000000000, -0.0006448900000000, -0.0005286600000000 ] - [ -0.0004127800000000, 0.0001356300000000, -0.0000577400000000 ] - [ -0.0010877500000000, 0.0004892800000000, 0.0000128300000000 ] - [ -0.0003215800000000, 0.0000766400000000, -0.0001721400000000 ] - [ -0.0003673000000000, -0.0001261300000000, 0.0002387900000000 ] - [ -0.0004762500000000, 0.0005791300000000, 0.0000622600000000 ] - [ -0.0011188900000000, -0.0019029900000000, -0.0014124600000000 ] - [ -0.0003594200000000, 0.0002832700000000, 0.0000988600000000 ] - [ 0.0004194900000000, -0.0005079300000000, -0.0000393000000000 ] - [ -0.0007744600000000, -0.0005465800000000, -0.0000937100000000 ] - [ -0.0007451100000000, 0.0004330700000000, -0.0000790800000000 ] - [ -0.0006019900000000, 0.0004874200000000, -0.0004229900000000 ] - [ -0.0006622600000000, -0.0000007000000000, -0.0002708000000000 ] - [ -0.0000176500000000, -0.0003818700000000, -0.0000560100000000 ] - [ -0.0005620600000000, 0.0006286400000000, -0.0001497400000000 ] - [ -0.0002571700000000, 0.0010416800000000, 0.0007923100000000 ] - [ 0.0000772500000000, -0.0004578500000000, -0.0001652600000000 ] - [ -0.0013496200000000, 0.0001305500000000, -0.0001039900000000 ] - [ -0.0000601800000000, -0.0002389500000000, 0.0000150000000000 ] - [ -0.0007910100000000, -0.0002379300000000, -0.0000625000000000 ] - [ -0.0005155200000000, -0.0004772400000000, 0.0001452800000000 ] - [ -0.0001739400000000, 0.0009273700000000, -0.0000099100000000 ] - [ -0.0005655700000000, 0.0004430500000000, 0.0007177000000000 ] - [ 0.0005236600000000, 0.0001899900000000, 0.0001882900000000 ] - [ 0.0016276200000000, -0.0017307500000000, -0.0009203200000000 ] - [ 0.0008407700000000, 0.0000374400000000, -0.0000328400000000 ] - [ -0.0005139900000000, 0.0000413700000000, 0.0001256500000000 ]- atom: 78 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0000692600000000, 0.0020492900000000, 0.0004081900000000 ] - [ 0.0004940600000000, 0.0001699200000000, 0.0000327500000000 ] - [ 0.0001104000000000, 0.0001167700000000, 0.0002276300000000 ] - [ -0.0025132800000000, -0.0006036700000000, 0.0002952300000000 ] - [ 0.0016155600000000, -0.0030835800000000, 0.0001977600000000 ] - [ 0.0004472100000000, -0.0004162900000000, 0.0002382100000000 ] - [ 0.0006101200000000, -0.0008957100000000, 0.0000472000000000 ] - [ 0.0019256800000000, 0.0017172600000000, -0.0000878500000000 ] - [ -0.0003700900000000, -0.0002155300000000, 0.0000373900000000 ] - [ 0.0003036400000000, -0.0003134200000000, 0.0000774800000000 ] - [ 0.0005234300000000, 0.0001145800000000, 0.0000325200000000 ] - [ -0.0003961300000000, -0.0003483300000000, 0.0000443000000000 ] - [ 0.0003560000000000, 0.0002073100000000, 0.0000863400000000 ] - [ 0.0001604800000000, -0.0004856400000000, 0.0001176400000000 ] - [ -0.0001537900000000, -0.0000141400000000, 0.0002309600000000 ] - [ 0.0003822900000000, 0.0001224400000000, 0.0002278900000000 ] - [ -0.0001982800000000, -0.0003570900000000, 0.0001215200000000 ] - [ 0.0001983100000000, -0.0003734800000000, 0.0001081000000000 ] - [ -0.0001507800000000, 0.0001617400000000, 0.0000216300000000 ] - [ -0.0002485100000000, -0.0003310500000000, 0.0001015000000000 ] - [ 0.0002447700000000, 0.0000382200000000, 0.0000324000000000 ] - [ 0.0003994200000000, -0.0006373900000000, 0.0000189500000000 ] - [ 0.0002757200000000, -0.0005269600000000, 0.0000155000000000 ] - [ -0.0019022000000000, 0.0007532700000000, -0.0000680000000000 ] - [ -0.0003928700000000, -0.0009062100000000, -0.0002643600000000 ] - [ -0.0006596600000000, -0.0002145700000000, -0.0000196200000000 ] - [ 0.0017974300000000, -0.0010574100000000, 0.0001527600000000 ] - [ 0.0002062300000000, -0.0004693700000000, -0.0001707400000000 ] - [ 0.0007728000000000, -0.0011289500000000, 0.0002582700000000 ] - [ 0.0025894700000000, 0.0013976500000000, -0.0021954300000000 ] - [ -0.0005880200000000, 0.0008575300000000, -0.0000166900000000 ] - [ 0.0005110800000000, -0.0003698300000000, 0.0003985100000000 ] - [ -0.0000785500000000, -0.0005035700000000, 0.0004012600000000 ] - [ -0.0051807900000000, -0.0016561000000000, -0.0004166000000000 ] - [ 0.0007841400000000, 0.0010226900000000, -0.0000441300000000 ] - [ 0.0020301700000000, -0.0067753800000000, 0.0021967200000000 ] - [ -0.0086319500000000, 0.0152468100000000, 0.0038504900000000 ] - [ -0.0003488600000000, 0.0007139800000000, -0.0000722600000000 ] - [ 0.0008398200000000, 0.0010756500000000, 0.0004866600000000 ] - [ 0.0004569100000000, -0.0013741900000000, 0.0000488400000000 ] - [ 0.0008560600000000, -0.0006576200000000, -0.0000689900000000 ] - [ 0.0000070100000000, -0.0013618900000000, -0.0002519800000000 ] - [ -0.0011118900000000, 0.0000789300000000, 0.0004385400000000 ] - [ 0.0016143100000000, 0.0000668400000000, 0.0000169900000000 ] - [ -0.0008315700000000, 0.0008426200000000, -0.0000231900000000 ] - [ -0.0011917200000000, -0.0011818500000000, -0.0003608700000000 ] - [ -0.0001776400000000, -0.0015800400000000, 0.0002062200000000 ] - [ 0.0027735200000000, -0.0006618700000000, -0.0006403300000000 ] - [ -0.0183040100000000, 0.0303757200000000, -0.0098819500000000 ] - [ 0.0002706200000000, -0.0002867500000000, 0.0003016100000000 ] - [ -0.0010555200000000, -0.0020111300000000, -0.0006179000000000 ] - [ 0.0016458600000000, -0.0015460800000000, 0.0004144400000000 ] - [ 0.0008233400000000, -0.0001253200000000, 0.0001921300000000 ] - [ 0.0006164200000000, -0.0001210700000000, 0.0001670600000000 ] - [ -0.0007574000000000, -0.0008815400000000, 0.0000271700000000 ] - [ 0.0030353800000000, 0.0001931500000000, -0.0001983200000000 ] - [ 0.0004767400000000, 0.0016503200000000, -0.0006117500000000 ] - [ 0.0041002500000000, 0.0033489600000000, 0.0007302100000000 ] - [ 0.0004744700000000, -0.0001545800000000, 0.0001040100000000 ] - [ -0.0014360300000000, -0.0004236000000000, 0.0003134100000000 ] - [ 0.0000050300000000, -0.0001094600000000, -0.0005660400000000 ] - [ -0.0019155700000000, -0.0005473300000000, -0.0006742100000000 ] - [ 0.0011724700000000, -0.0016061700000000, -0.0003910900000000 ] - [ 0.0005294900000000, -0.0015281600000000, -0.0006130300000000 ] - [ -0.0002596600000000, -0.0005068200000000, -0.0006363000000000 ] - [ 0.0011849800000000, -0.0005524500000000, -0.0002203000000000 ] - [ -0.0031273100000000, -0.0004201500000000, 0.0018118900000000 ] - [ 0.0043422400000000, -0.0037453800000000, -0.0035494900000000 ] - [ 0.0004126800000000, -0.0003149900000000, -0.0005647700000000 ] - [ -0.0000215000000000, -0.0006205000000000, -0.0006959400000000 ] - [ -0.0004048900000000, -0.0013630200000000, 0.0002719000000000 ] - [ 0.0001260300000000, 0.0016670500000000, 0.0002184500000000 ] - [ -0.0002387200000000, 0.0003827300000000, 0.0001369000000000 ] - [ 0.0002266500000000, 0.0005742500000000, 0.0001137300000000 ] - [ 0.0009861800000000, 0.0005348000000000, 0.0001454600000000 ] - [ -0.0006193300000000, 0.0002406800000000, 0.0000882900000000 ] - [ -0.0002234200000000, -0.0001593400000000, -0.0000118500000000 ] - [ 0.0187123100000000, -0.0344051900000000, 0.0078590600000000 ] - [ 0.0008930700000000, 0.0009905100000000, -0.0010550300000000 ] - [ 0.0006664600000000, -0.0000054400000000, -0.0005909200000000 ] - [ 0.0007011800000000, 0.0006328700000000, 0.0000190600000000 ] - [ -0.0005749800000000, 0.0000852400000000, 0.0000812600000000 ] - [ 0.0005585600000000, -0.0003271300000000, 0.0000220400000000 ] - [ -0.0016755200000000, 0.0012479400000000, -0.0005318200000000 ] - [ -0.0019186000000000, -0.0026444300000000, -0.0001807400000000 ] - [ -0.0005355300000000, 0.0001742300000000, -0.0000017000000000 ] - [ -0.0017719200000000, 0.0008425900000000, -0.0007198400000000 ] - [ -0.0003664100000000, 0.0006729100000000, -0.0001069900000000 ] - [ -0.0004052400000000, -0.0005998100000000, -0.0000804300000000 ] - [ 0.0001332900000000, 0.0007742200000000, -0.0001395600000000 ] - [ -0.0005289500000000, -0.0009678300000000, 0.0003643900000000 ] - [ -0.0005450100000000, -0.0000299500000000, 0.0000790800000000 ] - [ -0.0001978100000000, 0.0006674800000000, 0.0000182200000000 ] - [ -0.0002779100000000, -0.0002777600000000, -0.0000245700000000 ] - [ -0.0002331900000000, 0.0005267000000000, 0.0008036000000000 ] - [ -0.0004583000000000, -0.0002967400000000, -0.0000945700000000 ] - [ -0.0006407400000000, 0.0006479900000000, -0.0002534800000000 ] - [ -0.0037455500000000, -0.0038080300000000, -0.0072627800000000 ] - [ -0.0003072400000000, -0.0000752600000000, -0.0002457900000000 ] - [ 0.0007204100000000, -0.0009370600000000, -0.0002735400000000 ] - [ -0.0002245100000000, 0.0008337800000000, -0.0000346800000000 ] - [ -0.0044034800000000, 0.0034595900000000, -0.0197177500000000 ] - [ -0.0000073800000000, -0.0008171300000000, 0.0000331600000000 ] - [ -0.0005400300000000, -0.0002234600000000, 0.0001163600000000 ] - [ 0.0033897500000000, -0.0037972200000000, -0.0029376300000000 ] - [ -0.0002072500000000, -0.0000169800000000, 0.0000996700000000 ] - [ 0.0004755300000000, 0.0009187800000000, -0.0003267000000000 ] - [ 0.0001638000000000, -0.0009722000000000, -0.0000682800000000 ] - [ 0.0001762600000000, -0.0007824600000000, 0.0001026200000000 ] - [ 0.0000612300000000, -0.0000966800000000, -0.0001541700000000 ] - [ 0.0013192500000000, 0.0025466400000000, -0.0010360500000000 ] - [ 0.0005912600000000, 0.0031181200000000, 0.0095431000000000 ] - [ 0.0019217500000000, -0.0089789600000000, 0.0055410800000000 ] - [ 0.0007205400000000, 0.0002861000000000, 0.0000361900000000 ] - [ 0.0075068400000000, 0.0009329000000000, 0.0136766100000000 ] - [ -0.0009413100000000, 0.0008397800000000, 0.0001669700000000 ] - [ -0.0000099600000000, -0.0013654900000000, 0.0003168000000000 ] - [ -0.0012237700000000, 0.0001420200000000, -0.0002390200000000 ] - [ 0.0006008000000000, 0.0013136300000000, 0.0001438100000000 ] - [ 0.0033251900000000, 0.0005009000000000, 0.0002589100000000 ] - [ 0.0000876300000000, -0.0003330200000000, -0.0001534500000000 ] - [ 0.0002085200000000, 0.0009052700000000, -0.0000875100000000 ] - [ -0.0013840700000000, 0.0002573500000000, 0.0007974100000000 ] - [ 0.0003323400000000, 0.0009645400000000, -0.0003042100000000 ] - [ 0.0003653700000000, 0.0007567800000000, 0.0007325000000000 ] - [ -0.0002027500000000, 0.0005890800000000, -0.0004579500000000 ] - [ -0.0005615200000000, 0.0002864500000000, -0.0001847500000000 ] - [ -0.0005229200000000, 0.0006429900000000, 0.0000416500000000 ] - [ -0.0006205000000000, 0.0009657700000000, 0.0000157300000000 ] - [ 0.0000752400000000, 0.0006186900000000, 0.0000204600000000 ] - [ 0.0003736400000000, 0.0000632700000000, -0.0002089800000000 ] - [ -0.0019383600000000, 0.0057073700000000, 0.0008093700000000 ] - [ 0.0002170600000000, 0.0002244400000000, 0.0008015700000000 ] - [ -0.0011342800000000, 0.0000622900000000, -0.0001167100000000 ] - [ -0.0002145900000000, 0.0007679700000000, 0.0000686700000000 ] - [ -0.0001407300000000, -0.0000132300000000, -0.0000573900000000 ] - [ 0.0002268100000000, -0.0002638100000000, -0.0001441000000000 ] - [ -0.0000984100000000, 0.0009631400000000, -0.0001352600000000 ] - [ 0.0000156200000000, 0.0003566400000000, 0.0007726900000000 ] - [ -0.0003102600000000, 0.0011800000000000, 0.0005303700000000 ] - [ -0.0003160700000000, 0.0006890200000000, -0.0002161500000000 ] - [ 0.0019549600000000, -0.0003912100000000, 0.0004062200000000 ] - [ -0.0001743500000000, 0.0002630200000000, -0.0000570800000000 ] - [ -0.0009714200000000, 0.0001938800000000, -0.0000032500000000 ] - [ -0.0005121300000000, 0.0001381600000000, -0.0001747200000000 ] - [ -0.0005969300000000, -0.0009111800000000, 0.0002040300000000 ] - [ -0.0003309900000000, 0.0004319400000000, 0.0000779700000000 ] - [ -0.0005425200000000, -0.0019064800000000, -0.0007772300000000 ] - [ -0.0002574400000000, 0.0006792600000000, 0.0001373200000000 ] - [ 0.0007172200000000, 0.0000085900000000, -0.0000102000000000 ] - [ -0.0004536100000000, -0.0001542700000000, -0.0000830400000000 ] - [ -0.0010826900000000, 0.0003346100000000, -0.0000815000000000 ] - [ -0.0008343100000000, -0.0005219700000000, -0.0001551600000000 ] - [ -0.0002558700000000, -0.0001919500000000, -0.0001854700000000 ] - [ 0.0001952500000000, 0.0002524600000000, 0.0000352000000000 ] - [ -0.0002632600000000, 0.0005502100000000, -0.0000894800000000 ] - [ -0.0026414900000000, 0.0001990600000000, 0.0010898000000000 ] - [ 0.0005598200000000, 0.0001193700000000, -0.0002232300000000 ] - [ -0.0008489900000000, -0.0000818600000000, -0.0001102800000000 ] - [ 0.0005376200000000, 0.0000695900000000, -0.0000859300000000 ] - [ -0.0004869100000000, -0.0003315000000000, -0.0000594000000000 ] - [ 0.0001017300000000, -0.0002452900000000, 0.0001419000000000 ] - [ -0.0005214900000000, 0.0017187800000000, 0.0000976600000000 ] - [ -0.0010306800000000, -0.0000271300000000, 0.0007369700000000 ] - [ 0.0000459800000000, 0.0014607300000000, 0.0007838100000000 ] - [ 0.0011005700000000, 0.0006315100000000, -0.0000982200000000 ] - [ 0.0012607600000000, 0.0008742500000000, 0.0003352100000000 ] - [ -0.0003176500000000, 0.0005205900000000, 0.0001391100000000 ]- atom: 78 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0001290300000000, -0.0020133700000000, -0.0001837900000000 ] - [ -0.0004939300000000, -0.0001718600000000, 0.0000890700000000 ] - [ 0.0000057800000000, 0.0000362300000000, 0.0002311900000000 ] - [ 0.0023903800000000, 0.0004555800000000, 0.0001649400000000 ] - [ -0.0019085700000000, 0.0028774200000000, -0.0001637300000000 ] - [ -0.0002560700000000, 0.0003932300000000, 0.0002213000000000 ] - [ -0.0006072700000000, 0.0008948400000000, 0.0000640200000000 ] - [ -0.0018753600000000, -0.0017418100000000, 0.0003142900000000 ] - [ 0.0003697500000000, 0.0002131000000000, 0.0000748500000000 ] - [ -0.0002233600000000, 0.0001307100000000, 0.0003778500000000 ] - [ -0.0002243900000000, 0.0000833100000000, 0.0000014600000000 ] - [ 0.0003973500000000, 0.0003484000000000, 0.0000142400000000 ] - [ -0.0003538100000000, -0.0002075100000000, 0.0000347100000000 ] - [ -0.0002135600000000, 0.0004573600000000, 0.0001085600000000 ] - [ -0.0000371100000000, 0.0000372000000000, 0.0002282700000000 ] - [ -0.0004566000000000, 0.0000537400000000, 0.0002321100000000 ] - [ 0.0001966800000000, 0.0002953100000000, 0.0001035000000000 ] - [ -0.0001437800000000, 0.0004040500000000, 0.0001172600000000 ] - [ 0.0001274900000000, 0.0001968100000000, 0.0000131500000000 ] - [ 0.0002487500000000, 0.0003920000000000, 0.0001235200000000 ] - [ 0.0000775500000000, -0.0001982100000000, 0.0000034000000000 ] - [ -0.0003998200000000, 0.0006359300000000, 0.0000419800000000 ] - [ -0.0002516300000000, 0.0001678900000000, 0.0000187700000000 ] - [ 0.0015773400000000, -0.0005856800000000, 0.0000981100000000 ] - [ 0.0002424700000000, -0.0003774800000000, -0.0002363900000000 ] - [ 0.0003880200000000, 0.0005602300000000, -0.0000287600000000 ] - [ -0.0005048400000000, -0.0000618000000000, -0.0002654200000000 ] - [ 0.0009728000000000, 0.0009920100000000, -0.0003278300000000 ] - [ -0.0007939900000000, 0.0011698100000000, 0.0005471300000000 ] - [ -0.0028880100000000, -0.0030928900000000, 0.0021267300000000 ] - [ -0.0010208200000000, -0.0014099200000000, -0.0000888800000000 ] - [ -0.0004889300000000, 0.0003294000000000, 0.0004055700000000 ] - [ 0.0000303000000000, 0.0005087000000000, 0.0004034700000000 ] - [ 0.0041218500000000, 0.0024033100000000, -0.0000634900000000 ] - [ -0.0004575000000000, 0.0006409500000000, -0.0000643600000000 ] - [ -0.0024525500000000, 0.0067144400000000, -0.0022029700000000 ] - [ 0.0086873000000000, -0.0152948000000000, -0.0039089300000000 ] - [ -0.0009424300000000, 0.0003991500000000, -0.0000372400000000 ] - [ -0.0008540000000000, -0.0011160400000000, 0.0003136600000000 ] - [ -0.0001861200000000, 0.0010258000000000, -0.0000963300000000 ] - [ -0.0006881700000000, 0.0010721800000000, 0.0000309800000000 ] - [ -0.0011846900000000, 0.0008383100000000, -0.0002470600000000 ] - [ 0.0011564100000000, -0.0000823500000000, 0.0003661100000000 ] - [ -0.0000037400000000, 0.0004870900000000, -0.0001206100000000 ] - [ 0.0012530400000000, -0.0007685100000000, -0.0000208400000000 ] - [ 0.0013361000000000, 0.0024615700000000, -0.0001419300000000 ] - [ 0.0000142300000000, 0.0011655300000000, -0.0002497600000000 ] - [ -0.0017226800000000, -0.0001067100000000, 0.0001395800000000 ] - [ 0.0186644400000000, -0.0316061400000000, 0.0100800800000000 ] - [ 0.0013854900000000, 0.0006543700000000, 0.0003731700000000 ] - [ 0.0008473900000000, 0.0026412100000000, -0.0006557300000000 ] - [ -0.0004855200000000, 0.0003037000000000, 0.0002556200000000 ] - [ -0.0001490000000000, -0.0004160300000000, 0.0001707700000000 ] - [ -0.0007566300000000, -0.0007098400000000, 0.0001853100000000 ] - [ -0.0003920300000000, 0.0021189000000000, 0.0006457600000000 ] - [ -0.0023232300000000, -0.0003209100000000, -0.0010681200000000 ] - [ -0.0007414200000000, -0.0006131200000000, -0.0005258600000000 ] - [ -0.0039500800000000, -0.0025223100000000, -0.0003820000000000 ] - [ -0.0012444700000000, -0.0001534300000000, 0.0002466200000000 ] - [ 0.0009248200000000, -0.0011927300000000, 0.0003589300000000 ] - [ -0.0010563500000000, 0.0003950000000000, -0.0005731600000000 ] - [ 0.0011655800000000, -0.0002173300000000, -0.0004641500000000 ] - [ -0.0001196600000000, 0.0013244200000000, -0.0007511800000000 ] - [ -0.0009521200000000, 0.0009685300000000, -0.0006579200000000 ] - [ 0.0004631900000000, -0.0001244900000000, -0.0006388700000000 ] - [ -0.0018580400000000, 0.0010911700000000, 0.0005868300000000 ] - [ 0.0024317800000000, 0.0005184000000000, -0.0031017600000000 ] - [ -0.0038441300000000, 0.0053630900000000, 0.0041769800000000 ] - [ 0.0003329400000000, 0.0010788400000000, -0.0005723000000000 ] - [ 0.0004457800000000, 0.0011791200000000, -0.0005751200000000 ] - [ -0.0012517800000000, 0.0009933500000000, 0.0004024100000000 ] - [ 0.0006469500000000, -0.0013517400000000, 0.0001316300000000 ] - [ 0.0008491200000000, -0.0000767700000000, 0.0000361200000000 ] - [ 0.0004937600000000, -0.0002200900000000, 0.0001422400000000 ] - [ -0.0001226800000000, -0.0002699800000000, 0.0001115800000000 ] - [ -0.0001682500000000, 0.0002065000000000, -0.0000182600000000 ] - [ 0.0003810900000000, 0.0000064700000000, -0.0000314100000000 ] - [ -0.0185055100000000, 0.0348105700000000, -0.0083832000000000 ] - [ -0.0008397500000000, -0.0005006600000000, 0.0007269300000000 ] - [ -0.0017577900000000, -0.0000341300000000, 0.0005956900000000 ] - [ -0.0014132600000000, -0.0003800100000000, -0.0000628400000000 ] - [ 0.0000046500000000, 0.0002940000000000, 0.0000896700000000 ] - [ 0.0000652200000000, -0.0006493400000000, 0.0000038600000000 ] - [ 0.0002802600000000, -0.0003496000000000, -0.0001770300000000 ] - [ 0.0024905400000000, 0.0022835800000000, 0.0003494000000000 ] - [ 0.0005138400000000, 0.0007322300000000, 0.0000710800000000 ] - [ 0.0028659700000000, -0.0007986000000000, 0.0007211800000000 ] - [ 0.0002115200000000, -0.0003691600000000, -0.0000124400000000 ] - [ 0.0002182500000000, 0.0003174700000000, -0.0000394400000000 ] - [ -0.0000485400000000, -0.0003952300000000, -0.0002934400000000 ] - [ 0.0005733600000000, 0.0011730000000000, -0.0004071700000000 ] - [ 0.0007656400000000, -0.0004715300000000, 0.0000198500000000 ] - [ 0.0007414900000000, -0.0004807500000000, -0.0001493700000000 ] - [ 0.0004914900000000, 0.0003308100000000, -0.0000195400000000 ] - [ 0.0003838500000000, -0.0005050700000000, 0.0008098500000000 ] - [ 0.0004031700000000, 0.0000849800000000, 0.0000529100000000 ] - [ 0.0002577700000000, -0.0003525000000000, -0.0000770700000000 ] - [ 0.0041878700000000, 0.0034457400000000, 0.0071827400000000 ] - [ -0.0011628100000000, -0.0006769400000000, -0.0004610300000000 ] - [ -0.0008326400000000, 0.0003694100000000, 0.0001403500000000 ] - [ 0.0001079500000000, -0.0001131100000000, 0.0000016000000000 ] - [ 0.0045563000000000, -0.0025816600000000, 0.0197776900000000 ] - [ -0.0000360000000000, 0.0001325400000000, 0.0001385900000000 ] - [ -0.0000725500000000, -0.0000804600000000, 0.0000577000000000 ] - [ -0.0039599500000000, 0.0033470100000000, 0.0028822700000000 ] - [ 0.0008647700000000, -0.0005965800000000, 0.0001549500000000 ] - [ -0.0003878100000000, 0.0007323300000000, -0.0003811600000000 ] - [ -0.0004766600000000, 0.0005158200000000, 0.0001639700000000 ] - [ -0.0009641500000000, 0.0003258600000000, -0.0000288400000000 ] - [ -0.0005138400000000, -0.0000938900000000, -0.0001818400000000 ] - [ -0.0008631500000000, -0.0023600600000000, 0.0006952100000000 ] - [ -0.0002562900000000, -0.0026556400000000, -0.0093739300000000 ] - [ -0.0019546400000000, 0.0081059600000000, -0.0054158400000000 ] - [ -0.0001691600000000, -0.0003375700000000, 0.0000610300000000 ] - [ -0.0082211700000000, -0.0004731800000000, -0.0134828600000000 ] - [ 0.0002219800000000, -0.0011944400000000, 0.0000874900000000 ] - [ -0.0001947200000000, 0.0004881100000000, -0.0000582300000000 ] - [ 0.0010628700000000, 0.0000155200000000, 0.0001971700000000 ] - [ -0.0000724600000000, -0.0003289100000000, -0.0001354000000000 ] - [ -0.0032409400000000, -0.0006189200000000, 0.0013573900000000 ] - [ 0.0002547400000000, 0.0002633100000000, -0.0001121200000000 ] - [ -0.0002812000000000, -0.0010171900000000, 0.0001039600000000 ] - [ 0.0012937600000000, 0.0000492800000000, -0.0010902000000000 ] - [ 0.0011360700000000, -0.0002120900000000, -0.0004020800000000 ] - [ -0.0004229800000000, -0.0009003900000000, 0.0008792400000000 ] - [ 0.0009947800000000, -0.0010372900000000, 0.0005342400000000 ] - [ 0.0000327400000000, -0.0012726800000000, 0.0001927600000000 ] - [ 0.0006405200000000, -0.0013640100000000, -0.0000754700000000 ] - [ -0.0000405800000000, -0.0003556500000000, 0.0002415600000000 ] - [ 0.0007132300000000, -0.0001625800000000, 0.0000523900000000 ] - [ -0.0000866900000000, -0.0003272900000000, -0.0002270100000000 ] - [ 0.0022832800000000, -0.0055119700000000, -0.0012351700000000 ] - [ -0.0001578500000000, -0.0000810900000000, 0.0008082400000000 ] - [ 0.0009177600000000, -0.0001158700000000, 0.0000722600000000 ] - [ 0.0002839400000000, -0.0006546400000000, -0.0000524300000000 ] - [ 0.0002945400000000, -0.0002910300000000, -0.0000644200000000 ] - [ -0.0005942700000000, 0.0001482300000000, -0.0002884600000000 ] - [ 0.0001724800000000, -0.0010898800000000, 0.0001523700000000 ] - [ -0.0001668000000000, -0.0003784900000000, 0.0008400200000000 ] - [ 0.0000821200000000, -0.0006813700000000, -0.0004385200000000 ] - [ 0.0000291000000000, -0.0004246900000000, -0.0002207200000000 ] - [ -0.0018124700000000, 0.0003869800000000, -0.0003889800000000 ] - [ -0.0001645000000000, -0.0002454900000000, -0.0000663200000000 ] - [ 0.0006270400000000, -0.0001253800000000, -0.0002611400000000 ] - [ 0.0004237500000000, -0.0005147700000000, -0.0002614600000000 ] - [ 0.0012612100000000, 0.0004768400000000, 0.0000472800000000 ] - [ 0.0003739600000000, 0.0002513100000000, 0.0000925500000000 ] - [ 0.0007559200000000, 0.0021572000000000, 0.0005098800000000 ] - [ -0.0002922900000000, -0.0006282700000000, -0.0000407700000000 ] - [ -0.0003769400000000, -0.0000271800000000, -0.0001121900000000 ] - [ -0.0000891900000000, -0.0000299900000000, -0.0000447700000000 ] - [ 0.0010162800000000, -0.0008219500000000, -0.0002546700000000 ] - [ 0.0014028700000000, 0.0010091200000000, 0.0001139100000000 ] - [ 0.0003481300000000, -0.0001039200000000, -0.0000965200000000 ] - [ -0.0002676500000000, -0.0001243000000000, -0.0000175000000000 ] - [ 0.0003764900000000, 0.0000138700000000, -0.0000431100000000 ] - [ 0.0025023700000000, -0.0001958700000000, -0.0010656600000000 ] - [ -0.0001794000000000, -0.0004168900000000, -0.0001083300000000 ] - [ 0.0004137100000000, 0.0004648100000000, -0.0000159800000000 ] - [ 0.0001782500000000, -0.0003211400000000, 0.0000418100000000 ] - [ 0.0002713200000000, 0.0000804000000000, -0.0002099800000000 ] - [ -0.0001264200000000, -0.0005538100000000, 0.0001107000000000 ] - [ -0.0001029000000000, -0.0007418800000000, -0.0000715700000000 ] - [ 0.0009285300000000, 0.0001526800000000, 0.0008833100000000 ] - [ -0.0001314200000000, -0.0031099400000000, -0.0014828800000000 ] - [ 0.0002858400000000, -0.0015237100000000, -0.0006108300000000 ] - [ -0.0012317800000000, -0.0000761100000000, -0.0000818300000000 ] - [ -0.0005421500000000, -0.0007830200000000, 0.0001170100000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006345300000000, -0.0004474100000000, -0.0040747000000000 ] - [ -0.0001321100000000, -0.0000295600000000, 0.0005218900000000 ] - [ 0.0000324700000000, 0.0000649600000000, 0.0001425600000000 ] - [ -0.0005669900000000, -0.0005468600000000, 0.0024613200000000 ] - [ -0.0004862300000000, 0.0006099900000000, 0.0029722000000000 ] - [ 0.0000860800000000, -0.0000043900000000, 0.0003658300000000 ] - [ 0.0001288300000000, -0.0000762100000000, 0.0004892900000000 ] - [ 0.0006815700000000, -0.0002553300000000, 0.0026984900000000 ] - [ -0.0000864100000000, -0.0000209700000000, -0.0004281500000000 ] - [ 0.0009702000000000, -0.0004913500000000, -0.0040225100000000 ] - [ 0.0001055500000000, 0.0000952100000000, -0.0000887900000000 ] - [ 0.0000251700000000, 0.0001658600000000, 0.0004786300000000 ] - [ -0.0000207300000000, -0.0000483900000000, -0.0004218100000000 ] - [ -0.0000216500000000, -0.0000001600000000, 0.0002511100000000 ] - [ -0.0000914600000000, 0.0000180000000000, 0.0001423500000000 ] - [ -0.0000419800000000, 0.0000758300000000, 0.0003649400000000 ] - [ -0.0000000300000000, -0.0000104900000000, 0.0000245000000000 ] - [ 0.0000400800000000, -0.0000051100000000, 0.0000092900000000 ] - [ -0.0000268200000000, 0.0001891100000000, 0.0001597300000000 ] - [ -0.0000067600000000, 0.0000173300000000, 0.0002524400000000 ] - [ 0.0001754200000000, -0.0000858600000000, 0.0001595900000000 ] - [ 0.0000297000000000, 0.0000911900000000, -0.0004358200000000 ] - [ 0.0000288400000000, -0.0001742300000000, -0.0000867200000000 ] - [ -0.0001668500000000, 0.0008769500000000, -0.0040502800000000 ] - [ -0.0002358300000000, -0.0008284100000000, -0.0000907200000000 ] - [ -0.0001942400000000, 0.0002102800000000, -0.0001515600000000 ] - [ -0.0002361400000000, 0.0010465000000000, -0.0014549400000000 ] - [ 0.0004534600000000, -0.0000302500000000, 0.0000048300000000 ] - [ 0.0003337000000000, -0.0003113200000000, 0.0000728600000000 ] - [ 0.0124092600000000, -0.0017091100000000, 0.0089430000000000 ] - [ -0.0019346100000000, -0.0014026100000000, -0.0007629000000000 ] - [ -0.0000084600000000, -0.0000260400000000, 0.0004877600000000 ] - [ -0.0000229000000000, 0.0000076200000000, 0.0004785000000000 ] - [ -0.0103428300000000, -0.0084761100000000, 0.0074324000000000 ] - [ 0.0001370100000000, 0.0008047300000000, -0.0002235300000000 ] - [ -0.0024888200000000, 0.0123499000000000, 0.0069348400000000 ] - [ 0.0008483000000000, 0.0061453800000000, 0.1874468800000000 ] - [ -0.0003857900000000, 0.0004927800000000, 0.0001115900000000 ] - [ -0.0005022600000000, -0.0001033400000000, 0.0000702900000000 ] - [ 0.0000604500000000, 0.0000601200000000, 0.0001242000000000 ] - [ -0.0001056100000000, 0.0004769000000000, 0.0002261500000000 ] - [ -0.0005292000000000, -0.0002123600000000, -0.0003816300000000 ] - [ 0.0001933300000000, 0.0004456700000000, 0.0000630300000000 ] - [ 0.0010188700000000, 0.0001878500000000, 0.0002308900000000 ] - [ 0.0019884300000000, 0.0000114300000000, -0.0008421200000000 ] - [ -0.0007574800000000, -0.0008232100000000, -0.0010522000000000 ] - [ -0.0006499400000000, 0.0013784500000000, -0.0018022900000000 ] - [ 0.0021114400000000, -0.0006597400000000, -0.0019400200000000 ] - [ 0.0050985000000000, -0.0089722700000000, 0.2700164800000000 ] - [ 0.0008357800000000, 0.0002343800000000, 0.0001626600000000 ] - [ 0.0002818500000000, 0.0024137300000000, -0.0011259600000000 ] - [ 0.0008357800000000, -0.0007537900000000, 0.0006372500000000 ] - [ -0.0000294400000000, -0.0003882900000000, 0.0003215900000000 ] - [ -0.0001421400000000, -0.0005035800000000, 0.0000541800000000 ] - [ 0.0004882800000000, -0.0012659700000000, -0.0009432600000000 ] - [ -0.0017471500000000, -0.0000159700000000, -0.0018779900000000 ] - [ 0.0003382400000000, 0.0003422600000000, -0.0011835000000000 ] - [ -0.0133020600000000, -0.0047073300000000, 0.0050002300000000 ] - [ -0.0007039400000000, -0.0000554600000000, 0.0003986800000000 ] - [ -0.0022887700000000, -0.0016052600000000, -0.0002354400000000 ] - [ -0.0005385100000000, 0.0001363900000000, -0.0004517300000000 ] - [ -0.0006800000000000, -0.0007501000000000, -0.0011853800000000 ] - [ 0.0003942600000000, 0.0003545300000000, -0.0011829900000000 ] - [ -0.0001683200000000, -0.0002951900000000, -0.0008047100000000 ] - [ 0.0002569400000000, -0.0000111900000000, -0.0004909800000000 ] - [ 0.0009870500000000, -0.0010679600000000, -0.0014158400000000 ] - [ 0.0062673200000000, 0.0131182700000000, 0.0062329500000000 ] - [ 0.0081488300000000, -0.0104233100000000, 0.0069861800000000 ] - [ 0.0003632400000000, 0.0003931600000000, -0.0004379700000000 ] - [ 0.0002027200000000, 0.0006098500000000, -0.0003276100000000 ] - [ -0.0006414500000000, -0.0004384500000000, 0.0004882700000000 ] - [ 0.0014850000000000, 0.0019376300000000, -0.0005637700000000 ] - [ 0.0001015700000000, 0.0001690200000000, 0.0015024400000000 ] - [ 0.0003754100000000, 0.0002393600000000, 0.0000999500000000 ] - [ 0.0005399400000000, 0.0003034800000000, 0.0002025400000000 ] - [ -0.0004412800000000, 0.0002168100000000, 0.0000239900000000 ] - [ 0.0000136700000000, -0.0000260600000000, -0.0000106500000000 ] - [ -0.0100063400000000, 0.0029570200000000, -0.5743930200000000 ] - [ 0.0005030000000000, -0.0035268500000000, -0.0005861100000000 ] - [ -0.0034572900000000, -0.0023025700000000, -0.0000154800000000 ] - [ -0.0007198400000000, -0.0003590400000000, -0.0000859500000000 ] - [ -0.0002657500000000, 0.0002128200000000, 0.0002490400000000 ] - [ 0.0002695400000000, -0.0006049900000000, 0.0000406200000000 ] - [ -0.0011412400000000, 0.0007799700000000, -0.0002061800000000 ] - [ 0.0022461500000000, 0.0004775300000000, -0.0065600300000000 ] - [ -0.0001998100000000, 0.0004703700000000, 0.0001033600000000 ] - [ 0.0027312800000000, -0.0018014600000000, -0.0004622900000000 ] - [ -0.0001288000000000, 0.0001548800000000, 0.0004938400000000 ] - [ -0.0000473000000000, -0.0000916600000000, 0.0004969400000000 ] - [ 0.0000165400000000, 0.0004903700000000, 0.0012968400000000 ] - [ -0.0028400900000000, -0.0012541500000000, -0.0003535400000000 ] - [ 0.0000285600000000, -0.0002334800000000, 0.0000167900000000 ] - [ 0.0000884600000000, 0.0005788700000000, 0.0000941400000000 ] - [ 0.0007028600000000, 0.0002299200000000, -0.0000810400000000 ] - [ 0.0000620000000000, 0.0000067500000000, 0.0009682500000000 ] - [ 0.0001040200000000, -0.0001016900000000, -0.0000164800000000 ] - [ -0.0001938100000000, 0.0001057300000000, -0.0001357700000000 ] - [ 0.0182404600000000, -0.0014281700000000, 0.0143177900000000 ] - [ -0.0006533200000000, -0.0003236100000000, -0.0003740400000000 ] - [ -0.0003506200000000, -0.0010128600000000, -0.0001130300000000 ] - [ -0.0000181500000000, 0.0002579800000000, -0.0000448400000000 ] - [ 0.0136059200000000, -0.0169828800000000, 0.0192476500000000 ] - [ -0.0000323700000000, -0.0003979900000000, 0.0010957300000000 ] - [ -0.0002660400000000, -0.0001137500000000, -0.0001181700000000 ] - [ -0.0117947900000000, -0.0139836300000000, 0.0150446100000000 ] - [ 0.0003827400000000, -0.0003461200000000, 0.0000938300000000 ] - [ 0.0005330100000000, 0.0013789900000000, -0.0005499300000000 ] - [ 0.0004718100000000, -0.0002837200000000, 0.0000086400000000 ] - [ -0.0002208800000000, 0.0002462200000000, 0.0001334800000000 ] - [ -0.0006780600000000, -0.0003403200000000, -0.0002374100000000 ] - [ -0.0004916100000000, -0.0036374800000000, 0.0001162000000000 ] - [ -0.0055739600000000, 0.0164511000000000, 0.0128212100000000 ] - [ -0.0211771700000000, -0.0053834500000000, 0.0218112500000000 ] - [ 0.0001860600000000, -0.0001811700000000, 0.0000819700000000 ] - [ 0.0090676600000000, 0.0207753400000000, 0.0232765800000000 ] - [ -0.0002696300000000, -0.0003728900000000, 0.0001888900000000 ] - [ -0.0008139800000000, -0.0002028100000000, 0.0003289000000000 ] - [ 0.0031741500000000, -0.0008553100000000, -0.0003684000000000 ] - [ 0.0001844000000000, -0.0000969400000000, 0.0001610300000000 ] - [ -0.0006476100000000, -0.0011366300000000, -0.0062992500000000 ] - [ -0.0003385000000000, -0.0003841000000000, -0.0002824300000000 ] - [ -0.0001050100000000, 0.0005212100000000, 0.0001574100000000 ] - [ -0.0027195500000000, 0.0022564000000000, -0.0008852900000000 ] - [ 0.0006529800000000, 0.0004564600000000, -0.0003277400000000 ] - [ -0.0000076500000000, -0.0003123100000000, 0.0018129300000000 ] - [ 0.0005649900000000, -0.0009543800000000, 0.0002638500000000 ] - [ -0.0002621400000000, -0.0005982100000000, -0.0000144900000000 ] - [ -0.0000352600000000, -0.0002199900000000, 0.0000087400000000 ] - [ -0.0000346400000000, -0.0000663500000000, 0.0003895500000000 ] - [ 0.0003509200000000, 0.0002700000000000, 0.0000092400000000 ] - [ 0.0001469600000000, -0.0001446100000000, -0.0000503900000000 ] - [ -0.0004943600000000, 0.0008589000000000, -0.0068897800000000 ] - [ 0.0000268900000000, 0.0000592400000000, 0.0005985900000000 ] - [ -0.0007656500000000, 0.0001335500000000, 0.0001382000000000 ] - [ -0.0000183200000000, 0.0000726900000000, -0.0000389200000000 ] - [ 0.0000826700000000, -0.0001496000000000, -0.0001805500000000 ] - [ -0.0000096600000000, 0.0000935800000000, 0.0008342600000000 ] - [ 0.0000393800000000, 0.0004159800000000, -0.0000532000000000 ] - [ -0.0000558400000000, -0.0000258800000000, 0.0005365100000000 ] - [ -0.0006745800000000, 0.0008050700000000, 0.0000247300000000 ] - [ -0.0001529100000000, 0.0001313200000000, -0.0004177000000000 ] - [ 0.0038533600000000, 0.0013183300000000, 0.0002214000000000 ] - [ -0.0001689500000000, 0.0000033300000000, -0.0001815500000000 ] - [ 0.0001691900000000, -0.0002189600000000, 0.0000061300000000 ] - [ -0.0000507700000000, -0.0002058500000000, -0.0004829200000000 ] - [ -0.0001228400000000, -0.0002780300000000, 0.0003579800000000 ] - [ 0.0000578400000000, 0.0003174300000000, -0.0001589000000000 ] - [ 0.0028583400000000, 0.0029550300000000, 0.0006770300000000 ] - [ -0.0002926800000000, 0.0000957800000000, 0.0000409400000000 ] - [ 0.0001626700000000, -0.0000575600000000, 0.0004928100000000 ] - [ -0.0001817300000000, -0.0000025400000000, -0.0000704400000000 ] - [ 0.0004918400000000, -0.0004806600000000, -0.0000188800000000 ] - [ 0.0010165800000000, 0.0004372900000000, -0.0000444000000000 ] - [ 0.0001326300000000, -0.0001327400000000, -0.0001013300000000 ] - [ -0.0000088700000000, 0.0000844500000000, 0.0000347600000000 ] - [ 0.0001283700000000, 0.0002406000000000, -0.0000907300000000 ] - [ -0.0034505600000000, 0.0013807100000000, -0.0003711100000000 ] - [ 0.0001935500000000, -0.0002123300000000, -0.0002139300000000 ] - [ -0.0000225200000000, 0.0002071900000000, -0.0000359000000000 ] - [ 0.0002909500000000, -0.0001823200000000, -0.0000187300000000 ] - [ -0.0001211400000000, -0.0000944500000000, -0.0001883400000000 ] - [ 0.0000592400000000, -0.0003748900000000, 0.0001099800000000 ] - [ -0.0001110900000000, -0.0001875200000000, -0.0001846600000000 ] - [ 0.0002234700000000, -0.0000481000000000, 0.0022712800000000 ] - [ -0.0006360300000000, 0.0026333200000000, -0.0003955400000000 ] - [ 0.0011485600000000, 0.0024554500000000, -0.0008861500000000 ] - [ 0.0005100900000000, 0.0008817200000000, 0.0002998400000000 ] - [ -0.0004432500000000, -0.0002038000000000, 0.0001109300000000 ]- atom: 78 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006003400000000, 0.0004785600000000, 0.0043018700000000 ] - [ 0.0001345300000000, 0.0000283200000000, -0.0003976900000000 ] - [ 0.0000798300000000, 0.0000833100000000, 0.0003164300000000 ] - [ 0.0004654400000000, 0.0004170800000000, -0.0019985600000000 ] - [ 0.0002040300000000, -0.0008346800000000, -0.0029321800000000 ] - [ 0.0000997700000000, -0.0000177300000000, 0.0000945900000000 ] - [ -0.0001302700000000, 0.0000787000000000, -0.0003816600000000 ] - [ -0.0006565900000000, 0.0002257300000000, -0.0024673700000000 ] - [ 0.0000868200000000, 0.0000213300000000, 0.0005354300000000 ] - [ -0.0009052500000000, 0.0003343300000000, 0.0044826300000000 ] - [ 0.0001874000000000, 0.0001102100000000, 0.0001230600000000 ] - [ -0.0000246000000000, -0.0001680000000000, -0.0004254400000000 ] - [ 0.0000198200000000, 0.0000491600000000, 0.0005460500000000 ] - [ -0.0000294600000000, -0.0000233100000000, -0.0000241900000000 ] - [ -0.0000938500000000, 0.0000037500000000, 0.0003179300000000 ] - [ -0.0000315100000000, 0.0000932400000000, 0.0000952600000000 ] - [ -0.0000049000000000, -0.0000457300000000, 0.0002020600000000 ] - [ 0.0000108800000000, 0.0000281000000000, 0.0002177400000000 ] - [ -0.0000056900000000, 0.0001686600000000, -0.0001251500000000 ] - [ 0.0000119400000000, 0.0000391500000000, -0.0000258900000000 ] - [ 0.0001505700000000, -0.0000667100000000, -0.0001238700000000 ] - [ -0.0000301700000000, -0.0000936200000000, 0.0004893800000000 ] - [ 0.0000039800000000, -0.0001831700000000, 0.0001213900000000 ] - [ -0.0001638000000000, -0.0007348600000000, 0.0040862400000000 ] - [ 0.0000996300000000, -0.0004506700000000, -0.0004099600000000 ] - [ -0.0000723100000000, 0.0001470300000000, 0.0001063200000000 ] - [ 0.0015344600000000, -0.0021381000000000, 0.0013497900000000 ] - [ 0.0007165400000000, 0.0005626400000000, -0.0005040300000000 ] - [ -0.0003508300000000, 0.0003564200000000, 0.0007279200000000 ] - [ -0.0127057500000000, 0.0000602200000000, -0.0091331400000000 ] - [ 0.0003323500000000, 0.0008304500000000, 0.0006632100000000 ] - [ 0.0000254100000000, -0.0000192500000000, 0.0003152900000000 ] - [ -0.0000263100000000, 0.0000045900000000, 0.0003260400000000 ] - [ 0.0093085200000000, 0.0092285300000000, -0.0080098300000000 ] - [ 0.0001700300000000, 0.0008581600000000, 0.0001158700000000 ] - [ 0.0020441000000000, -0.0124186700000000, -0.0070341000000000 ] - [ -0.0007103300000000, -0.0056120800000000, -0.1744295400000000 ] - [ -0.0009163900000000, 0.0006039500000000, -0.0002204700000000 ] - [ 0.0004815300000000, 0.0000616300000000, 0.0007278800000000 ] - [ 0.0002062000000000, -0.0004165900000000, -0.0001701400000000 ] - [ 0.0002835200000000, -0.0000612800000000, -0.0002629600000000 ] - [ -0.0006401700000000, -0.0003195900000000, -0.0001166300000000 ] - [ -0.0001437000000000, -0.0004583000000000, 0.0007394000000000 ] - [ 0.0005818300000000, 0.0003829200000000, -0.0003341500000000 ] - [ -0.0015522100000000, 0.0000513200000000, 0.0008041900000000 ] - [ 0.0008925500000000, 0.0020997100000000, 0.0005545700000000 ] - [ 0.0004712000000000, -0.0017939100000000, 0.0017716500000000 ] - [ -0.0010616300000000, -0.0000969500000000, 0.0014466700000000 ] - [ -0.0053287600000000, 0.0087398600000000, -0.2900116800000000 ] - [ 0.0008287200000000, 0.0001435700000000, 0.0005115900000000 ] - [ -0.0005004500000000, -0.0017869400000000, -0.0001508800000000 ] - [ 0.0003352900000000, -0.0004901400000000, 0.0000331500000000 ] - [ 0.0006910900000000, -0.0001698500000000, 0.0000390500000000 ] - [ -0.0000187800000000, -0.0003243200000000, 0.0002961400000000 ] - [ -0.0016632400000000, 0.0025158300000000, 0.0016081300000000 ] - [ 0.0024695800000000, -0.0001029600000000, 0.0006081200000000 ] - [ -0.0006095400000000, 0.0006912700000000, 0.0000502100000000 ] - [ 0.0134261600000000, 0.0055101700000000, -0.0045676600000000 ] - [ -0.0000745000000000, -0.0002328300000000, -0.0000491400000000 ] - [ 0.0017927500000000, -0.0000209200000000, 0.0009041500000000 ] - [ -0.0005173300000000, 0.0001432000000000, -0.0006863100000000 ] - [ -0.0000632200000000, -0.0000205900000000, 0.0000518700000000 ] - [ 0.0006612200000000, -0.0006344500000000, 0.0000480200000000 ] - [ -0.0002477300000000, -0.0002755600000000, -0.0004655200000000 ] - [ -0.0000384400000000, -0.0006187200000000, -0.0007825200000000 ] - [ -0.0016465000000000, 0.0016247700000000, 0.0017674300000000 ] - [ -0.0069665200000000, -0.0129656500000000, -0.0074030700000000 ] - [ -0.0076325100000000, 0.0120289000000000, -0.0062402700000000 ] - [ 0.0003803400000000, 0.0003772600000000, -0.0006978100000000 ] - [ 0.0002138800000000, -0.0000391200000000, -0.0009421700000000 ] - [ -0.0010225600000000, 0.0000608200000000, 0.0001866300000000 ] - [ -0.0007088000000000, -0.0016535700000000, 0.0009099300000000 ] - [ 0.0005181100000000, 0.0001244500000000, -0.0013192200000000 ] - [ 0.0003522100000000, 0.0001128700000000, 0.0001634700000000 ] - [ 0.0003230700000000, -0.0000458200000000, 0.0000625500000000 ] - [ -0.0003425900000000, 0.0002434000000000, 0.0000559800000000 ] - [ 0.0001561400000000, -0.0001286000000000, -0.0000312300000000 ] - [ 0.0105666800000000, -0.0039351300000000, 0.5812390000000000 ] - [ -0.0004392100000000, 0.0040122400000000, 0.0002322000000000 ] - [ 0.0023538300000000, 0.0022530400000000, 0.0000008300000000 ] - [ 0.0000097000000000, 0.0006106200000000, 0.0000357900000000 ] - [ -0.0002989400000000, 0.0001731300000000, -0.0000717900000000 ] - [ 0.0003471900000000, -0.0003742800000000, -0.0000202200000000 ] - [ -0.0002568300000000, 0.0001174000000000, -0.0005087000000000 ] - [ -0.0017456600000000, -0.0008718900000000, 0.0067069400000000 ] - [ 0.0001906000000000, 0.0004404200000000, -0.0000244100000000 ] - [ -0.0016413000000000, 0.0018457000000000, 0.0004683800000000 ] - [ -0.0000273100000000, 0.0001462400000000, -0.0006142800000000 ] - [ -0.0001375700000000, -0.0001905200000000, -0.0006174700000000 ] - [ 0.0000740300000000, -0.0001278500000000, -0.0017269500000000 ] - [ 0.0029009100000000, 0.0014765300000000, 0.0003203400000000 ] - [ 0.0001925300000000, -0.0002621400000000, 0.0000704900000000 ] - [ 0.0004452200000000, -0.0004012800000000, -0.0002261700000000 ] - [ -0.0004813100000000, -0.0001674700000000, 0.0000363600000000 ] - [ 0.0000931500000000, 0.0000217300000000, 0.0006503100000000 ] - [ -0.0001546300000000, -0.0001198000000000, -0.0000243500000000 ] - [ -0.0001924000000000, 0.0001904600000000, -0.0001942100000000 ] - [ -0.0176399400000000, 0.0010131100000000, -0.0143265200000000 ] - [ -0.0008180800000000, -0.0004349800000000, -0.0003372500000000 ] - [ 0.0002371000000000, 0.0004611100000000, -0.0000228600000000 ] - [ -0.0000983700000000, 0.0004590500000000, 0.0000025600000000 ] - [ -0.0135663900000000, 0.0180377300000000, -0.0191581200000000 ] - [ -0.0000176500000000, -0.0002822900000000, -0.0009194800000000 ] - [ -0.0003494000000000, -0.0001819600000000, 0.0002976200000000 ] - [ 0.0110976400000000, 0.0133682000000000, -0.0149463000000000 ] - [ 0.0002705500000000, -0.0002712400000000, 0.0001702000000000 ] - [ -0.0004526500000000, 0.0002748400000000, -0.0001626300000000 ] - [ -0.0007836000000000, -0.0001652600000000, 0.0000776900000000 ] - [ -0.0005778400000000, -0.0006921700000000, -0.0000519500000000 ] - [ 0.0002217900000000, 0.0001459600000000, -0.0000991000000000 ] - [ 0.0009492800000000, 0.0038402300000000, -0.0004453000000000 ] - [ 0.0058485100000000, -0.0158523400000000, -0.0126423100000000 ] - [ 0.0214538900000000, 0.0045554400000000, -0.0219788000000000 ] - [ 0.0003592200000000, 0.0001311400000000, 0.0000048300000000 ] - [ -0.0098392500000000, -0.0206209400000000, -0.0232946800000000 ] - [ -0.0004580600000000, 0.0000215100000000, 0.0000740200000000 ] - [ 0.0006004800000000, -0.0006681800000000, -0.0000655000000000 ] - [ -0.0033306600000000, 0.0010109200000000, 0.0003140700000000 ] - [ 0.0003508500000000, 0.0010761300000000, -0.0001611000000000 ] - [ 0.0007992500000000, 0.0010684200000000, 0.0079029800000000 ] - [ 0.0006830500000000, 0.0003213500000000, 0.0000176700000000 ] - [ 0.0000378400000000, -0.0006345500000000, -0.0001407100000000 ] - [ 0.0026213500000000, -0.0019648000000000, 0.0006171300000000 ] - [ 0.0008171000000000, 0.0003017900000000, -0.0003842800000000 ] - [ -0.0000469900000000, 0.0001631600000000, -0.0001975300000000 ] - [ 0.0002187100000000, 0.0004936300000000, -0.0001889600000000 ] - [ -0.0002726000000000, -0.0003822400000000, 0.0000162800000000 ] - [ 0.0001531100000000, -0.0004962800000000, -0.0000508500000000 ] - [ -0.0006179400000000, 0.0006830200000000, -0.0001277700000000 ] - [ 0.0004467800000000, 0.0001775300000000, 0.0000743200000000 ] - [ 0.0001313900000000, -0.0001186000000000, -0.0003810300000000 ] - [ 0.0008826400000000, -0.0007952900000000, 0.0064464500000000 ] - [ 0.0000280200000000, 0.0000907700000000, 0.0010165600000000 ] - [ 0.0005422400000000, -0.0001962100000000, -0.0001792800000000 ] - [ 0.0000863300000000, 0.0000389600000000, 0.0000547400000000 ] - [ 0.0000743800000000, -0.0001523600000000, 0.0000608300000000 ] - [ -0.0003559400000000, -0.0002027400000000, -0.0012618700000000 ] - [ 0.0000345100000000, -0.0005403700000000, 0.0000688800000000 ] - [ -0.0000990600000000, -0.0000021700000000, 0.0010821400000000 ] - [ 0.0004561800000000, -0.0003085900000000, 0.0000678500000000 ] - [ -0.0001259500000000, 0.0001313500000000, -0.0000141000000000 ] - [ -0.0037333700000000, -0.0013252600000000, -0.0001967300000000 ] - [ -0.0001701700000000, 0.0000108500000000, 0.0000598400000000 ] - [ -0.0005124500000000, 0.0002813000000000, -0.0002721300000000 ] - [ -0.0000393200000000, -0.0001627400000000, 0.0000528900000000 ] - [ 0.0007911700000000, -0.0001623900000000, -0.0001005000000000 ] - [ -0.0000065400000000, 0.0003643300000000, 0.0003347000000000 ] - [ -0.0026352900000000, -0.0026933400000000, -0.0009594100000000 ] - [ -0.0002525200000000, -0.0000470200000000, 0.0000449600000000 ] - [ 0.0001764600000000, 0.0000438700000000, -0.0006153100000000 ] - [ -0.0003524000000000, -0.0001749000000000, -0.0000638900000000 ] - [ -0.0005556000000000, -0.0000097900000000, -0.0003162400000000 ] - [ -0.0004514000000000, 0.0000488000000000, -0.0000015700000000 ] - [ -0.0000374600000000, -0.0001599600000000, -0.0001826200000000 ] - [ -0.0000650200000000, 0.0000406300000000, -0.0000177800000000 ] - [ -0.0000152000000000, 0.0003133100000000, -0.0000494200000000 ] - [ 0.0033135000000000, -0.0013759900000000, 0.0003733300000000 ] - [ 0.0001921800000000, -0.0000841600000000, -0.0001165900000000 ] - [ -0.0004034300000000, 0.0001714400000000, -0.0000973100000000 ] - [ 0.0004203900000000, -0.0000673000000000, -0.0000340900000000 ] - [ -0.0000907200000000, -0.0001579400000000, -0.0000825100000000 ] - [ -0.0000905600000000, -0.0004290000000000, 0.0001504200000000 ] - [ -0.0005068300000000, 0.0011671200000000, 0.0002075500000000 ] - [ -0.0003369700000000, 0.0001781100000000, -0.0006471300000000 ] - [ 0.0005489100000000, -0.0042771300000000, -0.0003275100000000 ] - [ 0.0002440700000000, -0.0033615400000000, 0.0001834400000000 ] - [ -0.0004778700000000, -0.0000778200000000, -0.0000423100000000 ] - [ -0.0004186500000000, -0.0000527600000000, 0.0001544400000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0002252400000000, 0.0013134300000000, 0.0008707000000000 ] - [ -0.0004260400000000, -0.0002826800000000, 0.0000835500000000 ] - [ -0.0009046400000000, 0.0000484900000000, 0.0003016800000000 ] - [ 0.0002185200000000, -0.0002441400000000, 0.0002175600000000 ] - [ 0.0038030500000000, -0.0006921000000000, -0.0004753500000000 ] - [ -0.0009449800000000, 0.0001470200000000, 0.0005252400000000 ] - [ -0.0001988900000000, 0.0004434600000000, 0.0000644000000000 ] - [ -0.0003423900000000, 0.0017240900000000, -0.0002877700000000 ] - [ 0.0007074200000000, -0.0018593100000000, 0.0015320900000000 ] - [ 0.0005344400000000, -0.0024491400000000, -0.0021354900000000 ] - [ -0.0000622500000000, 0.0004741800000000, 0.0000363400000000 ] - [ -0.0005565600000000, -0.0030707300000000, -0.0019996800000000 ] - [ -0.0004396300000000, -0.0003376300000000, 0.0000319200000000 ] - [ 0.0000694900000000, 0.0014848900000000, 0.0009707000000000 ] - [ 0.0000683100000000, -0.0000934100000000, 0.0002326400000000 ] - [ -0.0003351100000000, 0.0005191100000000, 0.0001783400000000 ] - [ -0.0003462100000000, -0.0002783000000000, 0.0001650500000000 ] - [ 0.0004659800000000, 0.0009933600000000, -0.0002843000000000 ] - [ 0.0001315000000000, 0.0000272500000000, 0.0000086300000000 ] - [ -0.0002827500000000, -0.0002312100000000, 0.0000833900000000 ] - [ -0.0008111600000000, -0.0000152900000000, -0.0001725500000000 ] - [ -0.0001858800000000, 0.0004892200000000, 0.0000257200000000 ] - [ -0.0008491400000000, -0.0000957900000000, -0.0001225700000000 ] - [ 0.0002099700000000, -0.0000907100000000, -0.0000087600000000 ] - [ -0.0013886100000000, -0.0018482500000000, -0.0006867500000000 ] - [ 0.0004279400000000, -0.0013837300000000, -0.0000289000000000 ] - [ -0.0022301900000000, -0.0029811800000000, -0.0009268200000000 ] - [ 0.0024904900000000, 0.0004948800000000, -0.0004240100000000 ] - [ -0.0008066500000000, 0.0006927100000000, -0.0009058900000000 ] - [ 0.0005611300000000, -0.0026985300000000, 0.0003156200000000 ] - [ -0.0010321500000000, -0.0009477300000000, -0.0000232500000000 ] - [ 0.0002180100000000, 0.0004524100000000, 0.0003731500000000 ] - [ -0.0017102400000000, -0.0000410600000000, 0.0003646400000000 ] - [ 0.0051855300000000, -0.0026682200000000, -0.0080844900000000 ] - [ -0.0013805600000000, 0.0009207300000000, -0.0000283300000000 ] - [ 0.0000955200000000, 0.0005944300000000, -0.0001246700000000 ] - [ 0.0061457700000000, 0.0006175900000000, -0.0005098300000000 ] - [ -0.0008556500000000, 0.0007827200000000, -0.0000416600000000 ] - [ -0.0010142800000000, 0.0012386400000000, 0.0006607700000000 ] - [ -0.0009413400000000, 0.0000865900000000, -0.0000382700000000 ] - [ -0.0000219800000000, 0.0014528000000000, 0.0001278900000000 ] - [ -0.0019052200000000, 0.0023975300000000, -0.0005786300000000 ] - [ -0.0000010500000000, -0.0004860400000000, 0.0004218900000000 ] - [ -0.0007722600000000, 0.0001978800000000, -0.0000646700000000 ] - [ -0.0102434800000000, 0.0014167000000000, 0.0010833100000000 ] - [ 0.0000394500000000, 0.0010722300000000, -0.0002854500000000 ] - [ 0.0270311300000000, -0.0241481600000000, 0.0147540600000000 ] - [ 0.0004176200000000, 0.0011390700000000, -0.0001538800000000 ] - [ 0.0025275100000000, -0.0000029000000000, -0.0009308200000000 ] - [ 0.0012409900000000, -0.0007491400000000, 0.0005324800000000 ] - [ -0.0003637200000000, 0.0006935300000000, -0.0005537500000000 ] - [ 0.0003961900000000, 0.0012824200000000, 0.0002456400000000 ] - [ -0.0001781800000000, -0.0000314600000000, 0.0000850700000000 ] - [ -0.0013368700000000, -0.0004577700000000, 0.0003116500000000 ] - [ 0.0035942800000000, 0.0005686200000000, -0.0026845800000000 ] - [ 0.0001719700000000, 0.0015285500000000, -0.0005552400000000 ] - [ -0.0026158600000000, 0.0030686400000000, 0.0000480000000000 ] - [ -0.0001348000000000, -0.0015510400000000, 0.0003139000000000 ] - [ -0.0025850200000000, -0.0005114800000000, 0.0004370000000000 ] - [ -0.0015720600000000, -0.0007588000000000, 0.0023124100000000 ] - [ -0.0001367500000000, 0.0006345500000000, -0.0005497600000000 ] - [ -0.0002998000000000, -0.0010656700000000, -0.0005329600000000 ] - [ -0.0091863100000000, -0.0003321400000000, -0.0040960700000000 ] - [ -0.0014903500000000, 0.0012051400000000, -0.0010160700000000 ] - [ -0.0017842700000000, -0.0032565900000000, -0.0006873400000000 ] - [ -0.0021485600000000, -0.0005524300000000, 0.0000141400000000 ] - [ 0.1485796200000000, -0.0991115800000000, 0.0056207500000000 ] - [ 0.0007308400000000, 0.0018448000000000, 0.0002139400000000 ] - [ -0.0012907200000000, 0.0002598800000000, -0.0006218800000000 ] - [ 0.0019430300000000, -0.0000398000000000, -0.0014714500000000 ] - [ -0.0021505600000000, -0.0000577700000000, 0.0004234600000000 ] - [ 0.0003424300000000, -0.0006200800000000, 0.0001464300000000 ] - [ 0.0010990600000000, 0.0008176900000000, 0.0006149400000000 ] - [ -0.0000390900000000, -0.0000224500000000, 0.0001525500000000 ] - [ 0.0005271100000000, 0.0008185600000000, 0.0001163300000000 ] - [ -0.0004348500000000, -0.0001138500000000, -0.0000447000000000 ] - [ 0.0006024200000000, -0.0002689900000000, -0.0001015700000000 ] - [ -0.0019071700000000, -0.0000129200000000, 0.0004174500000000 ] - [ -0.2081320800000000, 0.1690804100000000, -0.0285099600000000 ] - [ 0.0295765300000000, -0.0103346900000000, -0.0082176400000000 ] - [ -0.0002605200000000, 0.0001989300000000, 0.0000056400000000 ] - [ 0.0003658600000000, 0.0001318900000000, -0.0000079500000000 ] - [ 0.0005485700000000, 0.0011383300000000, -0.0001991800000000 ] - [ -0.0002634100000000, -0.0007391100000000, -0.0001104500000000 ] - [ 0.0000886800000000, 0.0005864500000000, -0.0002040100000000 ] - [ 0.0017161400000000, 0.0000348000000000, 0.0000051600000000 ] - [ 0.0004598700000000, -0.0005147000000000, -0.0000287800000000 ] - [ 0.0014987700000000, 0.0000424600000000, 0.0028220800000000 ] - [ 0.0006182200000000, -0.0009386300000000, -0.0005800500000000 ] - [ -0.0046857300000000, -0.0017267500000000, 0.0074249900000000 ] - [ 0.0001779400000000, 0.0008979100000000, -0.0001717100000000 ] - [ 0.0000454900000000, -0.0007786100000000, 0.0000925900000000 ] - [ 0.0012103700000000, 0.0005426900000000, -0.0000496500000000 ] - [ 0.0004470400000000, 0.0001978300000000, -0.0000406700000000 ] - [ 0.0005441000000000, -0.0008594900000000, 0.0012136700000000 ] - [ 0.0009258200000000, 0.0004028100000000, 0.0000879400000000 ] - [ 0.0007699000000000, -0.0001663900000000, 0.0000454900000000 ] - [ -0.0011578000000000, 0.0019557900000000, -0.0001328100000000 ] - [ -0.0016393500000000, 0.0002172700000000, -0.0003129000000000 ] - [ -0.0002360900000000, 0.0001503300000000, -0.0000489700000000 ] - [ -0.0008906500000000, 0.0005337200000000, -0.0000335300000000 ] - [ -0.0006482200000000, 0.0001586800000000, -0.0000096400000000 ] - [ 0.0000350800000000, -0.0000550900000000, 0.0000856900000000 ] - [ -0.0000880400000000, -0.0002506100000000, 0.0000911600000000 ] - [ -0.0072745300000000, -0.0086012000000000, -0.0008914100000000 ] - [ 0.0001959300000000, -0.0008493000000000, 0.0002008800000000 ] - [ 0.0008081600000000, 0.0018505400000000, -0.0005746200000000 ] - [ 0.0008157700000000, -0.0011489700000000, -0.0002842700000000 ] - [ -0.0005409600000000, 0.0002558300000000, 0.0000239900000000 ] - [ 0.0029548300000000, 0.0020229900000000, 0.0005776600000000 ] - [ 0.0000750200000000, -0.0002354200000000, -0.0000839200000000 ] - [ -0.0007433100000000, -0.0006845900000000, 0.0001571300000000 ] - [ -0.0014290700000000, -0.0001384000000000, 0.0002565400000000 ] - [ 0.0002929300000000, 0.0004844400000000, -0.0000309100000000 ] - [ -0.0031014300000000, -0.0000568900000000, 0.0013827200000000 ] - [ 0.0030339000000000, -0.0023125700000000, 0.0000498200000000 ] - [ 0.0031543000000000, -0.0038218800000000, 0.0000359900000000 ] - [ 0.0002092000000000, 0.0015091700000000, -0.0001060900000000 ] - [ -0.0043711300000000, 0.0034154200000000, -0.0002475500000000 ] - [ 0.0052707700000000, -0.0118605800000000, 0.0164230500000000 ] - [ 0.0003069500000000, 0.0001104700000000, -0.0000853100000000 ] - [ -0.0015973200000000, -0.0012120400000000, 0.0009131600000000 ] - [ 0.0007167700000000, 0.0015906200000000, -0.0007762000000000 ] - [ 0.0018145600000000, -0.0001612600000000, -0.0005212600000000 ] - [ 0.0000898600000000, -0.0001760100000000, 0.0007954200000000 ] - [ 0.0041794100000000, 0.0008522700000000, 0.0009086800000000 ] - [ -0.0001456900000000, -0.0014937400000000, 0.0002469300000000 ] - [ 0.0007993300000000, -0.0015081100000000, 0.0000439500000000 ] - [ 0.0114841700000000, -0.0125624900000000, 0.0047496000000000 ] - [ 0.0013516700000000, -0.0000081200000000, 0.0001077000000000 ] - [ -0.0000768400000000, 0.0003948200000000, -0.0003123000000000 ] - [ -0.0000183800000000, -0.0002621600000000, -0.0000665300000000 ] - [ 0.0007159800000000, 0.0008889600000000, 0.0012221500000000 ] - [ 0.0013750200000000, 0.0002542900000000, 0.0002689700000000 ] - [ 0.0001001600000000, -0.0016355400000000, -0.0001498400000000 ] - [ -0.0000686600000000, -0.0003752900000000, -0.0000448700000000 ] - [ 0.0021917700000000, 0.0000176100000000, -0.0029448100000000 ] - [ 0.0005867600000000, -0.0003853100000000, 0.0000678600000000 ] - [ -0.0013258100000000, -0.0001601900000000, 0.0010257000000000 ] - [ -0.0014300500000000, -0.0003315100000000, -0.0006848600000000 ] - [ 0.0004244800000000, -0.0000595100000000, -0.0002655200000000 ] - [ 0.0001978800000000, 0.0002148000000000, 0.0009462400000000 ] - [ 0.0005706200000000, 0.0000612200000000, -0.0000065000000000 ] - [ 0.0018615300000000, 0.0004708300000000, -0.0004099500000000 ] - [ 0.0000271900000000, -0.0008628200000000, -0.0003246100000000 ] - [ 0.0005715400000000, -0.0016419500000000, 0.0001054000000000 ] - [ 0.0008667800000000, 0.0004827700000000, 0.0000487300000000 ] - [ 0.0003226800000000, 0.0010855100000000, 0.0001182000000000 ] - [ 0.0006063200000000, 0.0002070500000000, -0.0000180500000000 ] - [ 0.0001624300000000, 0.0002359900000000, -0.0000981200000000 ] - [ -0.0002996500000000, -0.0002653900000000, -0.0000199500000000 ] - [ 0.0003894400000000, -0.0012545300000000, -0.0003627200000000 ] - [ 0.0004116600000000, -0.0008245600000000, 0.0002011400000000 ] - [ 0.0005676200000000, -0.0004801800000000, -0.0000453800000000 ] - [ -0.0001146700000000, 0.0008709100000000, 0.0001482600000000 ] - [ 0.0012576500000000, 0.0000218700000000, 0.0000402600000000 ] - [ -0.0003653400000000, -0.0008660400000000, -0.0000702900000000 ] - [ -0.0007846100000000, 0.0001413400000000, -0.0000085900000000 ] - [ 0.0007890600000000, -0.0000337100000000, -0.0001086400000000 ] - [ 0.0019271800000000, 0.0004828100000000, -0.0001849100000000 ] - [ 0.0007630300000000, 0.0001427400000000, -0.0002203400000000 ] - [ 0.0012693200000000, -0.0001127100000000, 0.0000704700000000 ] - [ 0.0000545100000000, 0.0001127500000000, -0.0000732600000000 ] - [ 0.0000517500000000, -0.0006663200000000, 0.0006979900000000 ] - [ -0.0001694700000000, -0.0014495300000000, -0.0004948900000000 ] - [ -0.0032287400000000, 0.0023175200000000, 0.0020120400000000 ] - [ 0.0000013800000000, 0.0004687200000000, 0.0001237900000000 ] - [ 0.0002842100000000, 0.0001447600000000, 0.0001323000000000 ]- atom: 79 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0002944600000000, -0.0012879800000000, -0.0006452100000000 ] - [ 0.0004240100000000, 0.0002803600000000, 0.0000341000000000 ] - [ 0.0010283900000000, 0.0001097100000000, 0.0001556500000000 ] - [ -0.0003397200000000, 0.0000849500000000, 0.0002389300000000 ] - [ -0.0039106800000000, 0.0005844700000000, 0.0003403800000000 ] - [ 0.0011426200000000, -0.0001693800000000, -0.0000667200000000 ] - [ 0.0002007900000000, -0.0004428600000000, 0.0000495100000000 ] - [ 0.0004015400000000, -0.0017601200000000, 0.0005122000000000 ] - [ -0.0007244200000000, 0.0018709100000000, -0.0014169400000000 ] - [ -0.0004412600000000, 0.0022740700000000, 0.0025938700000000 ] - [ 0.0003657700000000, -0.0002858500000000, -0.0000024500000000 ] - [ 0.0005362100000000, 0.0030879400000000, 0.0020672900000000 ] - [ 0.0004404700000000, 0.0003368900000000, 0.0000835300000000 ] - [ -0.0001212500000000, -0.0015220600000000, -0.0007457700000000 ] - [ -0.0002661500000000, 0.0001141900000000, 0.0002266700000000 ] - [ 0.0002598100000000, -0.0003399000000000, 0.0002808300000000 ] - [ 0.0003498600000000, 0.0002122200000000, 0.0000588500000000 ] - [ -0.0004032000000000, -0.0009615900000000, 0.0005083600000000 ] - [ -0.0001475000000000, 0.0003290300000000, 0.0000246000000000 ] - [ 0.0002781300000000, 0.0003009500000000, 0.0001406700000000 ] - [ 0.0011331000000000, -0.0001526700000000, 0.0002097400000000 ] - [ 0.0001857200000000, -0.0004904100000000, 0.0000392100000000 ] - [ 0.0008644700000000, -0.0002616800000000, 0.0001564500000000 ] - [ -0.0005272300000000, 0.0002586300000000, 0.0000452400000000 ] - [ 0.0012270100000000, 0.0005693000000000, 0.0001881800000000 ] - [ -0.0007211900000000, 0.0017255600000000, -0.0000182700000000 ] - [ 0.0035102600000000, 0.0018481500000000, 0.0008128500000000 ] - [ -0.0013140600000000, 0.0000121400000000, -0.0000797500000000 ] - [ 0.0007975700000000, -0.0006533800000000, 0.0017085800000000 ] - [ -0.0009051400000000, 0.0010271200000000, -0.0004234400000000 ] - [ -0.0005896400000000, 0.0004045200000000, -0.0000806300000000 ] - [ -0.0001901500000000, -0.0005009400000000, 0.0004298500000000 ] - [ 0.0016688300000000, 0.0000442500000000, 0.0004407200000000 ] - [ -0.0062492900000000, 0.0034776200000000, 0.0075964700000000 ] - [ 0.0017288900000000, 0.0007403000000000, -0.0000804300000000 ] - [ -0.0005155600000000, -0.0006771400000000, 0.0000795100000000 ] - [ -0.0061039800000000, -0.0005600900000000, 0.0012962000000000 ] - [ -0.0004305400000000, 0.0003413400000000, -0.0000688800000000 ] - [ 0.0010071600000000, -0.0012884300000000, 0.0001371200000000 ] - [ 0.0012193200000000, -0.0004209000000000, -0.0000108600000000 ] - [ 0.0001801400000000, -0.0010424700000000, -0.0001682500000000 ] - [ 0.0007196800000000, -0.0029101600000000, 0.0000795200000000 ] - [ 0.0000437000000000, 0.0004838800000000, 0.0003834800000000 ] - [ 0.0023932900000000, 0.0003418600000000, -0.0000390300000000 ] - [ 0.0107112400000000, -0.0013400500000000, -0.0011263000000000 ] - [ 0.0001196300000000, 0.0002147800000000, -0.0002155300000000 ] - [ -0.0275169100000000, 0.0237576300000000, -0.0148383700000000 ] - [ 0.0006221400000000, -0.0019260500000000, -0.0003437300000000 ] - [ -0.0022679200000000, -0.0010346400000000, -0.0002072100000000 ] - [ 0.0003977200000000, 0.0011088900000000, 0.0001441400000000 ] - [ 0.0001707600000000, -0.0000631200000000, -0.0007216400000000 ] - [ 0.0007530800000000, -0.0025249100000000, 0.0004243500000000 ] - [ 0.0008622100000000, -0.0005017000000000, 0.0002801800000000 ] - [ 0.0012171200000000, -0.0003780300000000, 0.0000419200000000 ] - [ -0.0047348400000000, 0.0006657000000000, 0.0034129500000000 ] - [ 0.0005315700000000, -0.0016746400000000, -0.0007122400000000 ] - [ 0.0023664100000000, -0.0020490000000000, -0.0011894200000000 ] - [ 0.0002579300000000, 0.0023761100000000, 0.0000390800000000 ] - [ 0.0018235000000000, 0.0001857800000000, -0.0000833300000000 ] - [ 0.0010573700000000, -0.0008446900000000, -0.0016587700000000 ] - [ -0.0009101800000000, -0.0003521600000000, -0.0005919100000000 ] - [ -0.0004520800000000, 0.0003036600000000, -0.0006044900000000 ] - [ 0.0102445700000000, 0.0000632900000000, 0.0029516200000000 ] - [ 0.0010646300000000, -0.0017528700000000, -0.0002565000000000 ] - [ 0.0019779300000000, 0.0026485900000000, -0.0005889100000000 ] - [ 0.0014621100000000, 0.0010835300000000, 0.0003530000000000 ] - [ -0.1547371000000000, 0.1059383800000000, -0.0073407400000000 ] - [ -0.0002250800000000, -0.0002368500000000, 0.0004558300000000 ] - [ 0.0020430600000000, 0.0005034500000000, -0.0005153100000000 ] - [ -0.0015213600000000, 0.0005283500000000, 0.0001622400000000 ] - [ 0.0005032400000000, -0.0002963200000000, 0.0002517500000000 ] - [ 0.0004176000000000, 0.0009402200000000, 0.0002065800000000 ] - [ -0.0004908600000000, -0.0005071300000000, -0.0004450500000000 ] - [ 0.0007522100000000, 0.0003858900000000, 0.0000958600000000 ] - [ 0.0003391100000000, -0.0005453100000000, 0.0001304800000000 ] - [ -0.0003537100000000, 0.0005537300000000, 0.0001041100000000 ] - [ -0.0004557500000000, 0.0001216600000000, 0.0000577300000000 ] - [ 0.0020948200000000, 0.0002939600000000, -0.0005265200000000 ] - [ 0.2142655000000000, -0.1756792200000000, 0.0288651000000000 ] - [ -0.0312324200000000, 0.0104842500000000, 0.0084357700000000 ] - [ -0.0004547300000000, 0.0000570500000000, -0.0000388000000000 ] - [ -0.0009416900000000, 0.0002413300000000, 0.0001730000000000 ] - [ 0.0000878600000000, -0.0021268500000000, 0.0002340800000000 ] - [ -0.0011267800000000, 0.0016397900000000, -0.0005929000000000 ] - [ 0.0004860100000000, -0.0009536600000000, 0.0003693300000000 ] - [ -0.0017566700000000, 0.0008716000000000, 0.0000535300000000 ] - [ 0.0006394200000000, 0.0005714200000000, 0.0000424800000000 ] - [ -0.0016572300000000, 0.0002610300000000, -0.0029340700000000 ] - [ -0.0008101600000000, 0.0006630600000000, 0.0004656600000000 ] - [ 0.0047228500000000, 0.0021450300000000, -0.0079760200000000 ] - [ -0.0001177100000000, -0.0006950800000000, 0.0001273100000000 ] - [ 0.0001722300000000, 0.0002741900000000, 0.0000198900000000 ] - [ -0.0006636600000000, -0.0003571500000000, -0.0000737100000000 ] - [ -0.0002382500000000, -0.0001505800000000, -0.0000050800000000 ] - [ -0.0004001500000000, 0.0008734800000000, 0.0003945700000000 ] - [ -0.0009845300000000, -0.0006045100000000, -0.0001306800000000 ] - [ -0.0011507700000000, 0.0004607400000000, -0.0003758600000000 ] - [ 0.0015943800000000, -0.0023375100000000, 0.0000173100000000 ] - [ 0.0001804100000000, -0.0009644400000000, -0.0003855400000000 ] - [ 0.0001227300000000, -0.0007209800000000, -0.0000751000000000 ] - [ 0.0007685900000000, 0.0002114100000000, 0.0000138400000000 ] - [ 0.0008471400000000, 0.0007216500000000, 0.0002580400000000 ] - [ -0.0000670600000000, -0.0006253400000000, 0.0000781900000000 ] - [ -0.0005192000000000, -0.0000582100000000, 0.0000782100000000 ] - [ 0.0067828300000000, 0.0080578400000000, 0.0008764300000000 ] - [ 0.0004666300000000, 0.0002438500000000, 0.0000430500000000 ] - [ -0.0007161100000000, -0.0002122800000000, -0.0001211600000000 ] - [ -0.0011369300000000, 0.0006947300000000, 0.0003973600000000 ] - [ -0.0002366500000000, -0.0007177000000000, 0.0000373500000000 ] - [ -0.0034280300000000, -0.0022245200000000, -0.0009209600000000 ] - [ 0.0003766400000000, 0.0004216900000000, -0.0002524600000000 ] - [ 0.0010596000000000, 0.0011353600000000, -0.0000477900000000 ] - [ 0.0014611600000000, -0.0007635800000000, -0.0001984100000000 ] - [ 0.0002664400000000, -0.0005361200000000, 0.0001403800000000 ] - [ 0.0024432900000000, 0.0004767300000000, -0.0011493600000000 ] - [ -0.0037430800000000, 0.0019522300000000, 0.0001931200000000 ] - [ -0.0033703400000000, 0.0029686900000000, 0.0002064100000000 ] - [ -0.0003560300000000, -0.0013547500000000, 0.0000636300000000 ] - [ 0.0049285400000000, -0.0023226600000000, 0.0002563700000000 ] - [ -0.0052129100000000, 0.0118773300000000, -0.0149831300000000 ] - [ 0.0000410000000000, -0.0001789500000000, -0.0001772600000000 ] - [ 0.0015266900000000, 0.0011084700000000, -0.0009064600000000 ] - [ -0.0008019800000000, -0.0012881600000000, 0.0004906600000000 ] - [ -0.0003494100000000, 0.0009061300000000, -0.0001781700000000 ] - [ -0.0001521900000000, 0.0000387600000000, 0.0008105900000000 ] - [ -0.0033799300000000, -0.0012979100000000, -0.0008457100000000 ] - [ -0.0003782900000000, 0.0005012600000000, -0.0002302700000000 ] - [ -0.0006873300000000, 0.0007846600000000, -0.0000663000000000 ] - [ -0.0120985100000000, 0.0130232700000000, -0.0044778600000000 ] - [ -0.0005741800000000, 0.0004710600000000, -0.0000466300000000 ] - [ 0.0003790500000000, -0.0006618600000000, -0.0001322200000000 ] - [ 0.0003938500000000, 0.0003842100000000, -0.0003705200000000 ] - [ -0.0006536300000000, -0.0007597400000000, 0.0003788300000000 ] - [ -0.0015842400000000, -0.0003008500000000, -0.0003146500000000 ] - [ -0.0000306400000000, 0.0017529900000000, 0.0001664000000000 ] - [ 0.0002190900000000, 0.0000738600000000, -0.0000745100000000 ] - [ -0.0025848100000000, -0.0001419800000000, 0.0025327000000000 ] - [ -0.0005118600000000, 0.0002520200000000, -0.0000491800000000 ] - [ 0.0011824800000000, 0.0001559200000000, 0.0005945400000000 ] - [ 0.0011837300000000, 0.0008336400000000, 0.0007782000000000 ] - [ -0.0007214100000000, 0.0003237100000000, -0.0001770100000000 ] - [ -0.0000545700000000, -0.0002245500000000, -0.0009255100000000 ] - [ -0.0009112700000000, -0.0000423000000000, -0.0001181300000000 ] - [ -0.0022066600000000, -0.0004000300000000, 0.0001473400000000 ] - [ -0.0001134500000000, 0.0004791200000000, -0.0001175400000000 ] - [ 0.0000937800000000, 0.0012267900000000, 0.0001355300000000 ] - [ -0.0008336200000000, 0.0001995100000000, 0.0001156800000000 ] - [ -0.0001029200000000, -0.0008299300000000, -0.0003834800000000 ] - [ -0.0011633400000000, -0.0001574600000000, 0.0001269000000000 ] - [ 0.0001782800000000, -0.0002557000000000, -0.0000246700000000 ] - [ -0.0002486200000000, 0.0000848700000000, -0.0000994900000000 ] - [ -0.0004606900000000, 0.0007754000000000, 0.0000271500000000 ] - [ 0.0001620800000000, 0.0013172700000000, -0.0002311100000000 ] - [ -0.0004776600000000, 0.0001857500000000, -0.0002347500000000 ] - [ 0.0000456700000000, -0.0007448200000000, -0.0001302300000000 ] - [ -0.0011448300000000, 0.0005500800000000, -0.0001645800000000 ] - [ 0.0002301300000000, 0.0008712800000000, 0.0000886400000000 ] - [ 0.0011779900000000, -0.0004303300000000, -0.0003202200000000 ] - [ -0.0012324700000000, 0.0004247700000000, -0.0000080300000000 ] - [ -0.0012139400000000, -0.0007426600000000, 0.0001525600000000 ] - [ -0.0009829400000000, -0.0003930300000000, -0.0000473200000000 ] - [ -0.0012900700000000, -0.0006838600000000, 0.0001737400000000 ] - [ -0.0006875600000000, 0.0008614100000000, 0.0001072800000000 ] - [ -0.0001432900000000, 0.0007940700000000, 0.0009149300000000 ] - [ 0.0000773000000000, -0.0001955100000000, -0.0002043500000000 ] - [ 0.0046240600000000, -0.0032330300000000, -0.0027155200000000 ] - [ 0.0000191000000000, 0.0003238500000000, 0.0001193100000000 ] - [ -0.0011446300000000, -0.0004192600000000, 0.0001135700000000 ]- atom: 79 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0010519000000000, -0.0014916300000000, -0.0017012000000000 ] - [ -0.0000270800000000, 0.0001401300000000, 0.0000716800000000 ] - [ 0.0008727600000000, 0.0003032900000000, 0.0001819500000000 ] - [ -0.0007084200000000, -0.0006044000000000, 0.0003456300000000 ] - [ -0.0017348200000000, 0.0035610200000000, -0.0006242400000000 ] - [ 0.0011354500000000, 0.0001598600000000, -0.0001071100000000 ] - [ 0.0004818900000000, -0.0008330100000000, 0.0000737800000000 ] - [ 0.0016040200000000, -0.0020970900000000, 0.0010145100000000 ] - [ -0.0021409300000000, 0.0023389800000000, 0.0001674300000000 ] - [ -0.0016746800000000, 0.0031213300000000, 0.0000981500000000 ] - [ 0.0005705900000000, -0.0005782800000000, 0.0000246100000000 ] - [ -0.0022819800000000, 0.0033356200000000, -0.0003194500000000 ] - [ 0.0000758700000000, 0.0002121400000000, 0.0000445400000000 ] - [ 0.0008904700000000, -0.0018991100000000, -0.0012261800000000 ] - [ -0.0005751700000000, -0.0006048100000000, 0.0003892100000000 ] - [ 0.0004740500000000, -0.0005840500000000, 0.0002650500000000 ] - [ 0.0000207000000000, 0.0000353900000000, 0.0001001900000000 ] - [ 0.0004982100000000, -0.0014537900000000, 0.0010277900000000 ] - [ -0.0005102000000000, -0.0003973600000000, -0.0001405100000000 ] - [ -0.0000559400000000, 0.0000500600000000, 0.0001115600000000 ] - [ 0.0010551900000000, 0.0000706100000000, 0.0001640500000000 ] - [ 0.0004121000000000, -0.0008379000000000, 0.0000143800000000 ] - [ 0.0008683100000000, -0.0000431500000000, 0.0001725300000000 ] - [ -0.0008799400000000, -0.0004771700000000, -0.0002171800000000 ] - [ 0.0005879300000000, 0.0011498500000000, -0.0000724700000000 ] - [ -0.0033444200000000, 0.0010000900000000, 0.0005939300000000 ] - [ 0.0024253500000000, 0.0029228300000000, 0.0005659300000000 ] - [ -0.0016972200000000, -0.0007852800000000, -0.0017476200000000 ] - [ 0.0017612300000000, 0.0003822500000000, 0.0022014500000000 ] - [ -0.0022813000000000, 0.0005132300000000, 0.0001286500000000 ] - [ -0.0016162300000000, -0.0008562800000000, -0.0000708200000000 ] - [ 0.0004939200000000, -0.0028473400000000, 0.0000943600000000 ] - [ 0.0010909400000000, 0.0003016700000000, 0.0004013000000000 ] - [ -0.0058584700000000, 0.0072848800000000, 0.0107829000000000 ] - [ 0.0016828200000000, 0.0004920900000000, -0.0000962400000000 ] - [ -0.0000200300000000, -0.0020394900000000, 0.0004554500000000 ] - [ -0.0114760600000000, -0.0085589700000000, 0.0041727200000000 ] - [ -0.0009068600000000, -0.0003773800000000, -0.0000755500000000 ] - [ 0.0015234000000000, -0.0009359700000000, 0.0001649600000000 ] - [ 0.0013509500000000, -0.0008022300000000, 0.0000280300000000 ] - [ 0.0010063200000000, -0.0017340000000000, -0.0002820400000000 ] - [ 0.0014304700000000, -0.0032754600000000, 0.0001752800000000 ] - [ -0.0007150600000000, -0.0005465100000000, 0.0003961200000000 ] - [ 0.0018621400000000, 0.0006621600000000, -0.0000876500000000 ] - [ 0.0088489200000000, 0.0000368200000000, -0.0011917500000000 ] - [ -0.0004053700000000, -0.0008023000000000, -0.0002406100000000 ] - [ -0.0334917900000000, 0.1040368200000000, -0.0564545500000000 ] - [ 0.0020095900000000, -0.0027032400000000, -0.0005113700000000 ] - [ -0.0021307000000000, -0.0016041200000000, 0.0024391400000000 ] - [ -0.0011353100000000, 0.0003652200000000, 0.0005490800000000 ] - [ -0.0002169700000000, -0.0011553100000000, -0.0008051900000000 ] - [ 0.0019199500000000, -0.0033332500000000, 0.0004253900000000 ] - [ 0.0002803300000000, -0.0017135500000000, 0.0002309800000000 ] - [ 0.0012385800000000, -0.0004931500000000, 0.0000487700000000 ] - [ -0.0038753700000000, 0.0018654800000000, 0.0066543600000000 ] - [ 0.0015762600000000, -0.0023142300000000, -0.0008749600000000 ] - [ 0.0027749400000000, -0.0016746400000000, -0.0010836100000000 ] - [ -0.0036028800000000, 0.0008140800000000, 0.0005042800000000 ] - [ 0.0011643300000000, 0.0004015600000000, -0.0000356400000000 ] - [ 0.0023482100000000, 0.0009519400000000, -0.0009492800000000 ] - [ -0.0002597700000000, -0.0016543200000000, -0.0009784400000000 ] - [ -0.0013525200000000, -0.0011067500000000, -0.0005740600000000 ] - [ 0.0146654200000000, 0.0041139100000000, 0.0034585100000000 ] - [ 0.0016731900000000, -0.0019522500000000, -0.0000703300000000 ] - [ 0.0005028500000000, 0.0033642000000000, -0.0008367400000000 ] - [ 0.0002676300000000, 0.0024428800000000, 0.0005223500000000 ] - [ -0.1717535400000000, 0.1729443700000000, -0.0098862300000000 ] - [ 0.0012575300000000, -0.0030153800000000, 0.0010301000000000 ] - [ 0.0014909900000000, 0.0006266500000000, -0.0005729700000000 ] - [ -0.0027347700000000, -0.0090478000000000, -0.0056702200000000 ] - [ 0.0007781700000000, -0.0005710500000000, 0.0001638300000000 ] - [ -0.0003863200000000, -0.0002028100000000, 0.0001538500000000 ] - [ 0.0001016700000000, -0.0010555900000000, -0.0003406200000000 ] - [ 0.0004689800000000, 0.0014119800000000, 0.0003389900000000 ] - [ 0.0013713700000000, 0.0005114800000000, 0.0000567700000000 ] - [ -0.0002204700000000, 0.0013812200000000, 0.0002165800000000 ] - [ -0.0003496000000000, 0.0004088600000000, 0.0001177000000000 ] - [ 0.0025118900000000, 0.0017744300000000, -0.0035685600000000 ] - [ 0.2604253700000000, -0.3445060000000000, 0.0906550900000000 ] - [ -0.0226050400000000, -0.0007771200000000, 0.0061238000000000 ] - [ 0.0000422000000000, 0.0004835000000000, -0.0000009200000000 ] - [ -0.0009013900000000, 0.0002658900000000, 0.0001638300000000 ] - [ 0.0014690700000000, -0.0024572400000000, 0.0003656300000000 ] - [ -0.0019176800000000, 0.0024078300000000, -0.0007996500000000 ] - [ 0.0014682900000000, -0.0003982100000000, -0.0002232700000000 ] - [ -0.0018859000000000, 0.0007926500000000, -0.0000125700000000 ] - [ -0.0000088800000000, 0.0009717400000000, -0.0001129100000000 ] - [ -0.0027422600000000, -0.0006210800000000, -0.0036469400000000 ] - [ -0.0010401300000000, 0.0005013700000000, 0.0004053900000000 ] - [ 0.0015733800000000, 0.0000365500000000, -0.0149851300000000 ] - [ 0.0006164000000000, 0.0001418900000000, -0.0001388800000000 ] - [ -0.0007327200000000, 0.0008951800000000, 0.0000513600000000 ] - [ -0.0007617000000000, -0.0014165500000000, -0.0002789500000000 ] - [ 0.0005059200000000, 0.0003398700000000, -0.0001063700000000 ] - [ -0.0008045000000000, 0.0009828300000000, 0.0002513300000000 ] - [ -0.0007401200000000, -0.0005650900000000, -0.0001054400000000 ] - [ -0.0014934900000000, 0.0004864200000000, -0.0004486500000000 ] - [ 0.0052290800000000, -0.0000714000000000, -0.0000710000000000 ] - [ 0.0011021300000000, -0.0005767800000000, 0.0001051500000000 ] - [ 0.0004118600000000, -0.0000433100000000, -0.0001391200000000 ] - [ -0.0006488400000000, 0.0042470200000000, 0.0003523800000000 ] - [ 0.0003673400000000, 0.0016389600000000, -0.0000922400000000 ] - [ 0.0003517900000000, -0.0000771000000000, 0.0000951600000000 ] - [ -0.0003453500000000, 0.0003602800000000, 0.0001167200000000 ] - [ -0.0058628000000000, 0.0310246500000000, 0.0047912200000000 ] - [ -0.0001897200000000, 0.0007031500000000, 0.0000353400000000 ] - [ -0.0007213400000000, -0.0013195200000000, 0.0000919000000000 ] - [ -0.0013423700000000, 0.0001289700000000, 0.0002075500000000 ] - [ 0.0000648200000000, 0.0001313200000000, -0.0000202700000000 ] - [ -0.0028943100000000, -0.0027678200000000, -0.0008754100000000 ] - [ 0.0005698300000000, 0.0014021200000000, -0.0003875200000000 ] - [ 0.0010006800000000, 0.0046449800000000, -0.0003076300000000 ] - [ 0.0022448200000000, -0.0003964100000000, -0.0006452100000000 ] - [ 0.0010098900000000, 0.0003587300000000, 0.0000464100000000 ] - [ 0.0018133700000000, -0.0004722300000000, -0.0015977700000000 ] - [ -0.0050577900000000, 0.0017255300000000, 0.0001936600000000 ] - [ -0.0033048400000000, 0.0016616600000000, 0.0005011600000000 ] - [ 0.0009956900000000, -0.0017666100000000, 0.0002565500000000 ] - [ 0.0081296100000000, 0.0164522400000000, -0.0023654600000000 ] - [ -0.0142164400000000, 0.0080452800000000, -0.0201959200000000 ] - [ 0.0006032600000000, 0.0003178100000000, 0.0000129400000000 ] - [ 0.0011097600000000, 0.0006337300000000, -0.0011953500000000 ] - [ 0.0003541000000000, -0.0015314900000000, -0.0002062600000000 ] - [ -0.0007267100000000, 0.0011158500000000, -0.0001333400000000 ] - [ 0.0000220200000000, 0.0004701300000000, 0.0008318100000000 ] - [ -0.0033038000000000, -0.0039237000000000, -0.0002173300000000 ] - [ -0.0006903000000000, 0.0007505800000000, -0.0002597800000000 ] - [ -0.0011471900000000, 0.0006508500000000, 0.0000164700000000 ] - [ -0.0205402900000000, 0.0127559300000000, -0.0058625000000000 ] - [ -0.0002704700000000, 0.0001878500000000, -0.0000312800000000 ] - [ 0.0012351500000000, -0.0001952000000000, -0.0007053500000000 ] - [ 0.0001190900000000, 0.0012518300000000, -0.0008715200000000 ] - [ -0.0000350800000000, -0.0009187500000000, 0.0006022800000000 ] - [ -0.0008789300000000, -0.0005298900000000, -0.0002135300000000 ] - [ -0.0005294200000000, 0.0021915400000000, 0.0001416600000000 ] - [ -0.0000691100000000, 0.0008955300000000, 0.0003738500000000 ] - [ -0.0022834900000000, -0.0007910400000000, 0.0016496300000000 ] - [ -0.0005296700000000, 0.0007023300000000, -0.0001318000000000 ] - [ 0.0011264200000000, 0.0019389800000000, 0.0032833700000000 ] - [ -0.0004898700000000, -0.0004580200000000, -0.0006132900000000 ] - [ -0.0007926100000000, 0.0004340400000000, -0.0001565100000000 ] - [ -0.0012761000000000, -0.0013837900000000, -0.0018819200000000 ] - [ -0.0006520500000000, -0.0001349100000000, -0.0000626000000000 ] - [ -0.0016311900000000, -0.0006812300000000, 0.0000558800000000 ] - [ -0.0005329200000000, 0.0008139000000000, -0.0000286900000000 ] - [ -0.0004256700000000, 0.0011160400000000, 0.0001563000000000 ] - [ -0.0005835000000000, 0.0000403400000000, 0.0001193900000000 ] - [ 0.0012700600000000, 0.0006008000000000, -0.0000084600000000 ] - [ -0.0010690100000000, -0.0000946500000000, 0.0001452300000000 ] - [ 0.0005482000000000, 0.0002890000000000, -0.0000617000000000 ] - [ 0.0000794300000000, 0.0014007000000000, -0.0000291600000000 ] - [ -0.0011273700000000, 0.0014318200000000, 0.0002017800000000 ] - [ -0.0003819800000000, 0.0014015200000000, -0.0003261300000000 ] - [ -0.0004704200000000, 0.0006259100000000, -0.0003060000000000 ] - [ 0.0007250500000000, -0.0009250100000000, -0.0002693200000000 ] - [ -0.0007630800000000, 0.0002440100000000, -0.0001335000000000 ] - [ -0.0008997700000000, 0.0017884500000000, 0.0001613300000000 ] - [ 0.0038363100000000, 0.0017101200000000, 0.0001873900000000 ] - [ -0.0013981000000000, 0.0004620900000000, 0.0000222400000000 ] - [ -0.0004074400000000, -0.0008595200000000, 0.0000952000000000 ] - [ -0.0008313200000000, -0.0003984600000000, -0.0000558500000000 ] - [ -0.0008255500000000, -0.0008505400000000, 0.0002200900000000 ] - [ -0.0007888200000000, 0.0013568700000000, 0.0001831000000000 ] - [ -0.0007363500000000, 0.0012368400000000, 0.0010800000000000 ] - [ 0.0000746600000000, 0.0011611000000000, 0.0000777700000000 ] - [ 0.0050621400000000, -0.0059615300000000, -0.0033679100000000 ] - [ 0.0006778600000000, 0.0009506500000000, 0.0002332000000000 ] - [ -0.0009874000000000, -0.0003165800000000, 0.0001003200000000 ]- atom: 79 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0011067200000000, 0.0015219000000000, 0.0019169300000000 ] - [ 0.0000281000000000, -0.0001400600000000, 0.0000468700000000 ] - [ -0.0007502400000000, -0.0001431800000000, 0.0002769000000000 ] - [ 0.0005840800000000, 0.0004457600000000, 0.0001127800000000 ] - [ 0.0014172800000000, -0.0037498700000000, 0.0006677600000000 ] - [ -0.0009352300000000, -0.0001864500000000, 0.0005672100000000 ] - [ -0.0004813700000000, 0.0008322600000000, 0.0000404000000000 ] - [ -0.0015349800000000, 0.0020616000000000, -0.0007850100000000 ] - [ 0.0021279400000000, -0.0023431300000000, -0.0000471500000000 ] - [ 0.0017618100000000, -0.0032847500000000, 0.0003758800000000 ] - [ -0.0002659700000000, 0.0007680900000000, 0.0000094400000000 ] - [ 0.0022662300000000, -0.0033405300000000, 0.0003753500000000 ] - [ -0.0000743200000000, -0.0002111300000000, 0.0000730900000000 ] - [ -0.0009473500000000, 0.0018674400000000, 0.0014587200000000 ] - [ 0.0003760600000000, 0.0006279400000000, 0.0000692800000000 ] - [ -0.0005490800000000, 0.0007665600000000, 0.0001942600000000 ] - [ -0.0000176700000000, -0.0001037200000000, 0.0001232100000000 ] - [ -0.0004375700000000, 0.0014888400000000, -0.0008074400000000 ] - [ 0.0004944100000000, 0.0007553800000000, 0.0001750200000000 ] - [ 0.0000514200000000, 0.0000167300000000, 0.0001116900000000 ] - [ -0.0007365200000000, -0.0002391600000000, -0.0001284600000000 ] - [ -0.0004124700000000, 0.0008358700000000, 0.0000487300000000 ] - [ -0.0008537400000000, -0.0003167700000000, -0.0001387400000000 ] - [ 0.0005582000000000, 0.0006446800000000, 0.0002521000000000 ] - [ -0.0007518800000000, -0.0024333300000000, -0.0004293000000000 ] - [ 0.0030655000000000, -0.0006667500000000, -0.0006439100000000 ] - [ -0.0011341300000000, -0.0040536100000000, -0.0006773500000000 ] - [ 0.0028803100000000, 0.0012892300000000, 0.0012548200000000 ] - [ -0.0017679900000000, -0.0003556400000000, -0.0014069400000000 ] - [ 0.0019317400000000, -0.0021689000000000, -0.0002386400000000 ] - [ -0.0000050400000000, 0.0003180900000000, -0.0000334000000000 ] - [ -0.0004663600000000, 0.0028088600000000, 0.0007101700000000 ] - [ -0.0011364900000000, -0.0003018500000000, 0.0004037300000000 ] - [ 0.0047809600000000, -0.0064660500000000, -0.0112584600000000 ] - [ -0.0013347500000000, 0.0011729800000000, -0.0000120400000000 ] - [ -0.0003999500000000, 0.0019545800000000, -0.0004974800000000 ] - [ 0.0114114400000000, 0.0085807800000000, -0.0033484000000000 ] - [ -0.0003771800000000, 0.0015068800000000, -0.0000348000000000 ] - [ -0.0015273600000000, 0.0008935500000000, 0.0006349100000000 ] - [ -0.0010743700000000, 0.0004646800000000, -0.0000770100000000 ] - [ -0.0008498600000000, 0.0021454800000000, 0.0002423800000000 ] - [ -0.0026212200000000, 0.0027654700000000, -0.0006763100000000 ] - [ 0.0007571800000000, 0.0005449500000000, 0.0004087800000000 ] - [ -0.0002377300000000, -0.0001237400000000, -0.0000156700000000 ] - [ -0.0084432100000000, 0.0000481100000000, 0.0011486000000000 ] - [ 0.0005620100000000, 0.0020839400000000, -0.0002608000000000 ] - [ 0.0344886900000000, -0.1098574800000000, 0.0606852100000000 ] - [ -0.0009604800000000, 0.0019181000000000, 0.0000123800000000 ] - [ 0.0023819500000000, 0.0005773900000000, -0.0035643100000000 ] - [ 0.0027781800000000, -0.0000110900000000, 0.0001251800000000 ] - [ 0.0000231300000000, 0.0017826100000000, -0.0004707200000000 ] - [ -0.0007717500000000, 0.0020934100000000, 0.0002456400000000 ] - [ 0.0004052800000000, 0.0011880700000000, 0.0001341700000000 ] - [ -0.0013566700000000, -0.0003380000000000, 0.0003052200000000 ] - [ 0.0027290700000000, -0.0006431000000000, -0.0059326700000000 ] - [ -0.0008692800000000, 0.0021696700000000, -0.0003942800000000 ] - [ -0.0030289100000000, 0.0027108300000000, -0.0000531700000000 ] - [ 0.0037261200000000, 0.0000233800000000, -0.0001494700000000 ] - [ -0.0019229900000000, -0.0007267700000000, 0.0003886800000000 ] - [ -0.0028532100000000, -0.0025464700000000, 0.0016244200000000 ] - [ -0.0007865100000000, 0.0019416900000000, -0.0001607000000000 ] - [ 0.0005988800000000, 0.0003448900000000, -0.0005638700000000 ] - [ -0.0136603700000000, -0.0044411900000000, -0.0046148300000000 ] - [ -0.0021015800000000, 0.0014010200000000, -0.0012042600000000 ] - [ -0.0003149900000000, -0.0039908000000000, -0.0004387700000000 ] - [ -0.0009435600000000, -0.0019194500000000, -0.0001599000000000 ] - [ 0.1594362700000000, -0.1631763700000000, 0.0078158300000000 ] - [ -0.0007442300000000, 0.0046051500000000, -0.0003535400000000 ] - [ -0.0007407700000000, 0.0001325500000000, -0.0005646400000000 ] - [ 0.0031664600000000, 0.0095850000000000, 0.0043898600000000 ] - [ -0.0024282000000000, 0.0002124200000000, 0.0005122300000000 ] - [ 0.0011463300000000, 0.0005294500000000, 0.0001990800000000 ] - [ 0.0005037000000000, 0.0013681900000000, 0.0005119800000000 ] - [ 0.0002444300000000, -0.0010504200000000, -0.0000907700000000 ] - [ -0.0005065000000000, -0.0002375300000000, 0.0001919500000000 ] - [ -0.0005695400000000, -0.0009441900000000, -0.0001561400000000 ] - [ 0.0004957900000000, -0.0005604400000000, -0.0001623600000000 ] - [ -0.0023089900000000, -0.0014947400000000, 0.0034334900000000 ] - [ -0.2494625000000000, 0.3404159300000000, -0.0945111300000000 ] - [ 0.0214056900000000, 0.0006457100000000, -0.0060689600000000 ] - [ -0.0007577000000000, -0.0002269100000000, -0.0000332900000000 ] - [ 0.0003247800000000, 0.0001061800000000, 0.0000011100000000 ] - [ -0.0008352700000000, 0.0014822400000000, -0.0003335500000000 ] - [ 0.0005270200000000, -0.0015070000000000, 0.0000958400000000 ] - [ -0.0008908600000000, 0.0000249500000000, 0.0003892000000000 ] - [ 0.0018498600000000, 0.0001105700000000, 0.0000719300000000 ] - [ 0.0011055400000000, -0.0009141800000000, 0.0001252600000000 ] - [ 0.0025934900000000, 0.0009368000000000, 0.0035481900000000 ] - [ 0.0008483500000000, -0.0007821000000000, -0.0005252500000000 ] - [ -0.0015372200000000, 0.0004257100000000, 0.0144541800000000 ] - [ -0.0005560100000000, 0.0000549400000000, 0.0000956000000000 ] - [ 0.0009531400000000, -0.0014017600000000, 0.0000595500000000 ] - [ 0.0013060000000000, 0.0016112500000000, 0.0001585600000000 ] - [ -0.0002980300000000, -0.0002961500000000, 0.0000605000000000 ] - [ 0.0009515000000000, -0.0009681500000000, 0.0013607100000000 ] - [ 0.0006796500000000, 0.0003615200000000, 0.0000624300000000 ] - [ 0.0011132200000000, -0.0001904900000000, 0.0001188400000000 ] - [ -0.0047725100000000, -0.0003315600000000, -0.0000472000000000 ] - [ -0.0025662800000000, -0.0001650000000000, -0.0008053100000000 ] - [ -0.0005221400000000, -0.0005301200000000, 0.0000134700000000 ] - [ 0.0005304200000000, -0.0035163300000000, -0.0003751900000000 ] - [ -0.0001640600000000, -0.0007606100000000, 0.0003421200000000 ] - [ -0.0003842800000000, -0.0006065000000000, 0.0000697900000000 ] - [ -0.0002632000000000, -0.0006720200000000, 0.0000530500000000 ] - [ 0.0051583800000000, -0.0309858400000000, -0.0046692100000000 ] - [ 0.0008519400000000, -0.0013109900000000, 0.0002099600000000 ] - [ 0.0008137600000000, 0.0029583900000000, -0.0007906400000000 ] - [ 0.0010223100000000, -0.0005901200000000, -0.0000998900000000 ] - [ -0.0008430600000000, -0.0005946700000000, 0.0000837000000000 ] - [ 0.0024410500000000, 0.0025775100000000, 0.0005374100000000 ] - [ -0.0001170300000000, -0.0012121000000000, 0.0000503300000000 ] - [ -0.0006727100000000, -0.0041637600000000, 0.0004122900000000 ] - [ -0.0022043200000000, -0.0005107700000000, 0.0007014800000000 ] - [ -0.0004509300000000, -0.0004076900000000, 0.0000616900000000 ] - [ -0.0024658400000000, 0.0008843100000000, 0.0018318300000000 ] - [ 0.0043666700000000, -0.0020814700000000, 0.0000503800000000 ] - [ 0.0031066500000000, -0.0025453000000000, -0.0002523400000000 ] - [ -0.0011424800000000, 0.0019161100000000, -0.0003001000000000 ] - [ -0.0076717300000000, -0.0154796900000000, 0.0024331800000000 ] - [ 0.0140986200000000, -0.0081147300000000, 0.0215619300000000 ] - [ -0.0002566900000000, -0.0003895800000000, -0.0002758300000000 ] - [ -0.0011786200000000, -0.0007253000000000, 0.0011988400000000 ] - [ -0.0004492100000000, 0.0018240600000000, -0.0000696300000000 ] - [ 0.0021955500000000, -0.0003704100000000, -0.0005675600000000 ] - [ -0.0000839000000000, -0.0006061400000000, 0.0007761700000000 ] - [ 0.0040951700000000, 0.0035069400000000, 0.0002739600000000 ] - [ 0.0001686800000000, -0.0017405400000000, 0.0002753800000000 ] - [ 0.0012608800000000, -0.0013702100000000, -0.0000404400000000 ] - [ 0.0201018400000000, -0.0123480600000000, 0.0061875000000000 ] - [ 0.0010485500000000, 0.0002767600000000, 0.0000939300000000 ] - [ -0.0009372500000000, -0.0000686500000000, 0.0002650600000000 ] - [ 0.0002554100000000, -0.0011260300000000, 0.0004295500000000 ] - [ 0.0001004900000000, 0.0010536100000000, 0.0010027000000000 ] - [ 0.0006634000000000, 0.0004846400000000, 0.0001672900000000 ] - [ 0.0006020400000000, -0.0020772900000000, -0.0001252300000000 ] - [ 0.0002197800000000, -0.0012002800000000, -0.0004978100000000 ] - [ 0.0019076100000000, 0.0006658300000000, -0.0020883600000000 ] - [ 0.0006035500000000, -0.0008322500000000, 0.0001492000000000 ] - [ -0.0012759100000000, -0.0019512800000000, -0.0016781500000000 ] - [ 0.0002471500000000, 0.0009724900000000, 0.0007127000000000 ] - [ 0.0004968400000000, -0.0001687200000000, -0.0002856700000000 ] - [ 0.0014107500000000, 0.0013677400000000, 0.0018888000000000 ] - [ 0.0003128600000000, 0.0001554000000000, -0.0000636300000000 ] - [ 0.0012828000000000, 0.0007534000000000, -0.0003180500000000 ] - [ 0.0004476300000000, -0.0011980300000000, -0.0004137400000000 ] - [ 0.0010874900000000, -0.0015416000000000, 0.0000863800000000 ] - [ 0.0006157500000000, 0.0006433300000000, 0.0000457600000000 ] - [ -0.0010502100000000, -0.0003512200000000, -0.0002584400000000 ] - [ 0.0005143300000000, 0.0001467400000000, -0.0000378800000000 ] - [ -0.0002068800000000, -0.0003085500000000, -0.0000631900000000 ] - [ -0.0006293000000000, -0.0015890400000000, -0.0000916700000000 ] - [ 0.0010570800000000, -0.0019120300000000, -0.0005372600000000 ] - [ 0.0009523200000000, -0.0009106000000000, 0.0002946900000000 ] - [ 0.0005604200000000, -0.0009245000000000, 0.0000264500000000 ] - [ -0.0007947700000000, 0.0010560100000000, 0.0002881300000000 ] - [ 0.0008747900000000, 0.0003295800000000, 0.0000081600000000 ] - [ 0.0007588500000000, -0.0017758100000000, -0.0001443000000000 ] - [ -0.0034608100000000, -0.0020077700000000, -0.0005211400000000 ] - [ 0.0009525700000000, -0.0000744200000000, -0.0001406200000000 ] - [ 0.0011269200000000, 0.0006048300000000, -0.0001302300000000 ] - [ 0.0006101300000000, 0.0001469000000000, -0.0002111300000000 ] - [ 0.0008059700000000, 0.0000553400000000, 0.0000252700000000 ] - [ 0.0001558700000000, -0.0003817300000000, -0.0001494400000000 ] - [ 0.0006411800000000, -0.0011077400000000, 0.0005358600000000 ] - [ -0.0001674400000000, -0.0027989400000000, -0.0007763800000000 ] - [ -0.0036671900000000, 0.0050481600000000, 0.0026702700000000 ] - [ -0.0006543100000000, -0.0001560000000000, 0.0000115200000000 ] - [ 0.0001283500000000, 0.0000470500000000, 0.0001471600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001258400000000, -0.0001578300000000, -0.0003817800000000 ] - [ 0.0000730700000000, 0.0000240300000000, 0.0000878200000000 ] - [ -0.0000136200000000, 0.0000319900000000, 0.0001757900000000 ] - [ 0.0000224600000000, 0.0000636200000000, 0.0002724400000000 ] - [ -0.0012479100000000, -0.0009867900000000, 0.0025830600000000 ] - [ 0.0000297900000000, -0.0001250100000000, 0.0003017800000000 ] - [ -0.0000729500000000, 0.0001251200000000, 0.0000727400000000 ] - [ -0.0004780000000000, 0.0010166800000000, 0.0004601700000000 ] - [ 0.0015304100000000, 0.0003734200000000, -0.0010057100000000 ] - [ -0.0016962900000000, -0.0022712300000000, -0.0015007800000000 ] - [ 0.0000846600000000, 0.0002208400000000, 0.0000011700000000 ] - [ -0.0019463100000000, -0.0019723600000000, 0.0001904600000000 ] - [ 0.0000090200000000, -0.0000144600000000, 0.0000397800000000 ] - [ 0.0000408200000000, -0.0001069800000000, 0.0002729700000000 ] - [ 0.0000022900000000, 0.0001516000000000, 0.0001961800000000 ] - [ -0.0001264200000000, 0.0002029900000000, 0.0002515200000000 ] - [ 0.0000133900000000, -0.0000340400000000, 0.0000908200000000 ] - [ -0.0002358700000000, 0.0005495500000000, -0.0000058700000000 ] - [ 0.0000592900000000, 0.0002704000000000, 0.0000575000000000 ] - [ 0.0000121400000000, 0.0000182600000000, 0.0001308900000000 ] - [ 0.0000141400000000, -0.0001159500000000, 0.0001026100000000 ] - [ -0.0000653000000000, 0.0001245400000000, 0.0000083600000000 ] - [ -0.0001185800000000, -0.0002311900000000, -0.0000218900000000 ] - [ -0.0001021500000000, 0.0001304400000000, -0.0000644200000000 ] - [ -0.0004450400000000, -0.0011588400000000, -0.0003458600000000 ] - [ 0.0004482100000000, 0.0001907900000000, -0.0000369300000000 ] - [ 0.0003667200000000, -0.0009846800000000, 0.0001877400000000 ] - [ 0.0013996000000000, 0.0003855600000000, -0.0009435900000000 ] - [ -0.0007480300000000, -0.0002339900000000, -0.0005389700000000 ] - [ 0.0002804000000000, -0.0004584900000000, -0.0002194100000000 ] - [ -0.0006901800000000, -0.0001591600000000, -0.0000603400000000 ] - [ -0.0000750300000000, 0.0005052100000000, 0.0005390100000000 ] - [ -0.0000881300000000, -0.0000652100000000, 0.0004532000000000 ] - [ 0.0007204200000000, -0.0006497600000000, -0.0108093300000000 ] - [ 0.0000231100000000, 0.0009010100000000, -0.0000794400000000 ] - [ -0.0002609300000000, 0.0005778000000000, -0.0000269100000000 ] - [ -0.0010007000000000, 0.0002746000000000, 0.0026157600000000 ] - [ -0.0005671700000000, 0.0007454700000000, -0.0000497100000000 ] - [ -0.0003833300000000, 0.0002450200000000, 0.0001996300000000 ] - [ -0.0000580200000000, -0.0001001700000000, -0.0000342200000000 ] - [ -0.0001030700000000, 0.0005341800000000, 0.0000199600000000 ] - [ -0.0009143700000000, 0.0001643200000000, -0.0002559300000000 ] - [ 0.0001410200000000, 0.0001218300000000, 0.0003678600000000 ] - [ 0.0007636600000000, 0.0002007100000000, -0.0000194900000000 ] - [ 0.0018221500000000, -0.0006870000000000, -0.0004781900000000 ] - [ 0.0001057600000000, 0.0007889400000000, -0.0002711300000000 ] - [ 0.0156165000000000, -0.0611179400000000, 0.0566080800000000 ] - [ 0.0003574200000000, -0.0000803000000000, -0.0002251900000000 ] - [ 0.0010189000000000, 0.0009288200000000, -0.0016143400000000 ] - [ 0.0011291500000000, 0.0001407100000000, 0.0000432600000000 ] - [ -0.0000818300000000, 0.0005823200000000, -0.0006443500000000 ] - [ 0.0003583300000000, -0.0002343800000000, 0.0003664500000000 ] - [ 0.0003817000000000, -0.0000000700000000, 0.0002005900000000 ] - [ -0.0002800700000000, -0.0003850400000000, 0.0001470300000000 ] - [ 0.0017213900000000, -0.0000068400000000, -0.0126150000000000 ] - [ 0.0001774800000000, 0.0004279400000000, -0.0008177900000000 ] - [ -0.0002824200000000, 0.0005138200000000, -0.0006731500000000 ] - [ 0.0001945500000000, 0.0004462100000000, 0.0006588300000000 ] - [ -0.0005123100000000, -0.0002314500000000, 0.0002578300000000 ] - [ -0.0019006700000000, -0.0014356600000000, -0.0008250900000000 ] - [ -0.0005913800000000, 0.0004980600000000, -0.0005809300000000 ] - [ -0.0002325300000000, -0.0002199800000000, -0.0005843500000000 ] - [ -0.0021277800000000, -0.0008323300000000, -0.0004250800000000 ] - [ -0.0005333100000000, -0.0000539800000000, -0.0008036500000000 ] - [ 0.0001655000000000, -0.0003173700000000, -0.0001863700000000 ] - [ -0.0000501400000000, -0.0003331900000000, -0.0006969000000000 ] - [ 0.0073025500000000, -0.0078821800000000, 0.0372440500000000 ] - [ 0.0004255600000000, 0.0009423600000000, 0.0006444600000000 ] - [ 0.0002006400000000, 0.0003015500000000, -0.0005316800000000 ] - [ 0.0006617800000000, 0.0020175800000000, 0.0017032200000000 ] - [ -0.0010604800000000, -0.0001610600000000, 0.0003921900000000 ] - [ 0.0005600500000000, 0.0003556700000000, 0.0001360700000000 ] - [ 0.0006574100000000, 0.0003520600000000, 0.0004341900000000 ] - [ 0.0002869000000000, -0.0001588100000000, 0.0002102200000000 ] - [ 0.0002549800000000, 0.0000151200000000, 0.0001334900000000 ] - [ -0.0004323700000000, -0.0000074700000000, 0.0000194300000000 ] - [ 0.0001360500000000, -0.0001774400000000, -0.0000375500000000 ] - [ -0.0002092400000000, -0.0010590400000000, -0.0004611000000000 ] - [ -0.0295101100000000, 0.0921272000000000, -0.1028241700000000 ] - [ -0.0108291100000000, 0.0032466400000000, -0.0052810400000000 ] - [ -0.0004200300000000, 0.0000554600000000, -0.0000207100000000 ] - [ -0.0002154200000000, 0.0001786700000000, 0.0001216900000000 ] - [ 0.0000425700000000, -0.0003688200000000, -0.0002604700000000 ] - [ -0.0005220400000000, 0.0001777600000000, -0.0002902600000000 ] - [ 0.0000990300000000, -0.0003203900000000, -0.0001715700000000 ] - [ 0.0000901000000000, 0.0004545300000000, 0.0000578200000000 ] - [ 0.0006619600000000, -0.0002095300000000, 0.0000537500000000 ] - [ 0.0007909900000000, 0.0001387400000000, 0.0002166100000000 ] - [ -0.0000016100000000, -0.0001906800000000, 0.0000872800000000 ] - [ 0.0030056000000000, -0.0083187400000000, 0.0218454600000000 ] - [ -0.0001527500000000, -0.0000952300000000, 0.0000598300000000 ] - [ 0.0002697300000000, -0.0004494000000000, 0.0000221100000000 ] - [ 0.0003223400000000, 0.0005051800000000, 0.0002825400000000 ] - [ 0.0000260700000000, -0.0000494700000000, -0.0000173000000000 ] - [ 0.0002662500000000, -0.0001435300000000, 0.0009119900000000 ] - [ 0.0000250200000000, -0.0000672200000000, -0.0000244300000000 ] - [ 0.0000281700000000, 0.0001181400000000, -0.0001041800000000 ] - [ 0.0003001000000000, 0.0000019800000000, -0.0008494800000000 ] - [ -0.0010804100000000, -0.0002085700000000, -0.0000818000000000 ] - [ -0.0001183900000000, -0.0003812200000000, -0.0000473600000000 ] - [ 0.0000927000000000, -0.0005912300000000, -0.0002920000000000 ] - [ 0.0001526400000000, -0.0001751200000000, 0.0003813900000000 ] - [ -0.0000948000000000, -0.0004234600000000, 0.0001320100000000 ] - [ -0.0003168700000000, -0.0002500200000000, 0.0000665600000000 ] - [ -0.0015353300000000, 0.0061374200000000, -0.0073588200000000 ] - [ 0.0004343000000000, -0.0005082500000000, 0.0001873700000000 ] - [ 0.0006151800000000, 0.0013360200000000, -0.0000060400000000 ] - [ 0.0003343500000000, -0.0003228800000000, 0.0002680500000000 ] - [ -0.0004561400000000, -0.0003151000000000, 0.0000471500000000 ] - [ -0.0007320100000000, -0.0002071200000000, -0.0004780300000000 ] - [ 0.0001544100000000, -0.0001890400000000, -0.0001071100000000 ] - [ 0.0002753000000000, 0.0005068100000000, -0.0001498500000000 ] - [ -0.0005243400000000, -0.0006537300000000, 0.0004014600000000 ] - [ 0.0001572700000000, -0.0000892400000000, 0.0000799700000000 ] - [ -0.0014436500000000, -0.0005152600000000, 0.0022558900000000 ] - [ 0.0003851000000000, -0.0003969000000000, 0.0000517600000000 ] - [ -0.0003504300000000, 0.0001150000000000, -0.0001697000000000 ] - [ -0.0001767900000000, 0.0002247900000000, -0.0002544100000000 ] - [ -0.0013056500000000, -0.0044756400000000, -0.0034136700000000 ] - [ 0.0170669800000000, -0.0147148400000000, 0.0120083200000000 ] - [ 0.0000621000000000, -0.0001320200000000, -0.0001614900000000 ] - [ -0.0009374500000000, -0.0016542200000000, 0.0026616500000000 ] - [ -0.0007237500000000, 0.0000499800000000, 0.0006573300000000 ] - [ 0.0009621800000000, 0.0002802100000000, -0.0004005600000000 ] - [ -0.0000342400000000, -0.0001580200000000, 0.0008420800000000 ] - [ 0.0008449400000000, 0.0005950700000000, -0.0007733300000000 ] - [ -0.0001900800000000, -0.0006766800000000, 0.0000540300000000 ] - [ 0.0002710400000000, -0.0004491700000000, 0.0000826500000000 ] - [ 0.0024272300000000, -0.0014472900000000, -0.0027347800000000 ] - [ 0.0004599500000000, 0.0002691700000000, 0.0000523400000000 ] - [ -0.0000961000000000, -0.0002197700000000, -0.0000166800000000 ] - [ 0.0001839600000000, -0.0001617100000000, -0.0003837600000000 ] - [ 0.0002287700000000, 0.0001852300000000, 0.0005689500000000 ] - [ -0.0001842600000000, 0.0000828400000000, 0.0000921400000000 ] - [ 0.0001283500000000, -0.0002410200000000, -0.0000467200000000 ] - [ 0.0000921600000000, -0.0002962800000000, -0.0001280900000000 ] - [ -0.0001092800000000, 0.0002387700000000, 0.0007466500000000 ] - [ 0.0001152100000000, -0.0001520100000000, 0.0000189000000000 ] - [ -0.0001330600000000, 0.0003662700000000, 0.0001390200000000 ] - [ 0.0009091000000000, 0.0010878700000000, 0.0037829000000000 ] - [ -0.0000508900000000, 0.0001074100000000, -0.0002414400000000 ] - [ 0.0013439500000000, 0.0003268600000000, 0.0025720900000000 ] - [ -0.0001107700000000, 0.0000406000000000, -0.0001091300000000 ] - [ -0.0000248700000000, 0.0001341800000000, -0.0001845400000000 ] - [ 0.0000403500000000, -0.0003434900000000, -0.0002655500000000 ] - [ 0.0004358800000000, -0.0002936000000000, 0.0000761500000000 ] - [ 0.0000521500000000, 0.0003910400000000, 0.0000390900000000 ] - [ 0.0000377200000000, 0.0000622100000000, -0.0002042700000000 ] - [ -0.0001795300000000, 0.0000577500000000, 0.0000226100000000 ] - [ 0.0001096800000000, -0.0000749800000000, -0.0000319800000000 ] - [ -0.0003453200000000, -0.0003875700000000, -0.0000876300000000 ] - [ 0.0001646700000000, -0.0005615500000000, -0.0001974100000000 ] - [ 0.0004630500000000, -0.0000821700000000, 0.0001991600000000 ] - [ 0.0000983300000000, -0.0002742700000000, -0.0001134800000000 ] - [ -0.0001736900000000, 0.0002982800000000, 0.0001520300000000 ] - [ 0.0001074200000000, 0.0003168600000000, -0.0000782300000000 ] - [ -0.0001137900000000, -0.0001882900000000, -0.0001765200000000 ] - [ -0.0005143400000000, -0.0006045500000000, -0.0004760500000000 ] - [ 0.0000065900000000, 0.0001159000000000, -0.0000566000000000 ] - [ 0.0003253900000000, -0.0001210200000000, -0.0000648600000000 ] - [ -0.0000293400000000, -0.0001017700000000, -0.0001425300000000 ] - [ 0.0001797300000000, -0.0003004000000000, 0.0001367100000000 ] - [ -0.0002341100000000, 0.0003503500000000, -0.0000126700000000 ] - [ 0.0000015000000000, -0.0000714000000000, 0.0008966500000000 ] - [ -0.0001011800000000, -0.0009817200000000, -0.0004292900000000 ] - [ -0.0011327100000000, 0.0024188300000000, 0.0061380600000000 ] - [ -0.0000669000000000, 0.0003234100000000, 0.0001063700000000 ] - [ -0.0003392800000000, -0.0000712900000000, 0.0001372600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001743100000000, 0.0001948400000000, 0.0006191500000000 ] - [ -0.0000747100000000, -0.0000255800000000, 0.0000359200000000 ] - [ 0.0001228600000000, 0.0001156800000000, 0.0002838300000000 ] - [ -0.0001328800000000, -0.0002113900000000, 0.0001856900000000 ] - [ 0.0010801400000000, 0.0008168000000000, -0.0026166600000000 ] - [ 0.0001525100000000, 0.0001041100000000, 0.0001577200000000 ] - [ 0.0000724700000000, -0.0001225000000000, 0.0000345300000000 ] - [ 0.0005223400000000, -0.0010456800000000, -0.0002382600000000 ] - [ -0.0015149700000000, -0.0003751900000000, 0.0011190800000000 ] - [ 0.0017626700000000, 0.0020833400000000, 0.0019659400000000 ] - [ 0.0002069700000000, -0.0000140400000000, 0.0000333900000000 ] - [ 0.0019483000000000, 0.0019675900000000, -0.0001536300000000 ] - [ -0.0000096500000000, 0.0000139500000000, 0.0000849400000000 ] - [ -0.0000929500000000, 0.0000876000000000, -0.0000493900000000 ] - [ -0.0001868200000000, -0.0001292600000000, 0.0002645900000000 ] - [ 0.0000520400000000, -0.0000328700000000, 0.0002081900000000 ] - [ -0.0000187800000000, -0.0000224400000000, 0.0001361500000000 ] - [ 0.0002860000000000, -0.0005213500000000, 0.0002358000000000 ] - [ -0.0000914900000000, 0.0000873400000000, -0.0000234700000000 ] - [ -0.0000072500000000, 0.0000375800000000, 0.0000952100000000 ] - [ 0.0003096900000000, -0.0000364600000000, -0.0000682900000000 ] - [ 0.0000635000000000, -0.0001238600000000, 0.0000455600000000 ] - [ 0.0001490600000000, -0.0001258900000000, 0.0000569900000000 ] - [ -0.0002223800000000, 0.0000222900000000, 0.0001017500000000 ] - [ 0.0003087100000000, -0.0001229400000000, -0.0001559300000000 ] - [ -0.0007136700000000, 0.0001629700000000, -0.0000066500000000 ] - [ 0.0009293700000000, -0.0001168700000000, -0.0002939300000000 ] - [ -0.0002181300000000, 0.0001596700000000, 0.0004372600000000 ] - [ 0.0007101400000000, 0.0002860200000000, 0.0013439000000000 ] - [ -0.0005860900000000, -0.0012124300000000, 0.0001102700000000 ] - [ -0.0009092800000000, -0.0004116800000000, -0.0000423800000000 ] - [ 0.0000921300000000, -0.0005495900000000, 0.0002623400000000 ] - [ 0.0000347400000000, 0.0000772100000000, 0.0003503500000000 ] - [ -0.0017363100000000, 0.0013731800000000, 0.0103015000000000 ] - [ 0.0002790100000000, 0.0007622600000000, -0.0000279000000000 ] - [ -0.0001706900000000, -0.0006400200000000, -0.0000163100000000 ] - [ 0.0010669600000000, -0.0002055600000000, -0.0018431100000000 ] - [ -0.0007351800000000, 0.0003526100000000, -0.0000590300000000 ] - [ 0.0003595300000000, -0.0002851100000000, 0.0006022700000000 ] - [ 0.0003213400000000, -0.0002549300000000, -0.0000120600000000 ] - [ 0.0002792100000000, -0.0001132400000000, -0.0000564200000000 ] - [ -0.0002578600000000, -0.0006922600000000, -0.0002410300000000 ] - [ -0.0000901700000000, -0.0001335900000000, 0.0004363600000000 ] - [ 0.0008315300000000, 0.0003697900000000, -0.0000843500000000 ] - [ -0.0014447200000000, 0.0007541900000000, 0.0004386900000000 ] - [ 0.0000317800000000, 0.0004932600000000, -0.0002288200000000 ] - [ -0.0151036200000000, 0.0583691300000000, -0.0559920700000000 ] - [ 0.0006889400000000, -0.0006707200000000, -0.0002716700000000 ] - [ -0.0007446600000000, -0.0019751400000000, 0.0004701200000000 ] - [ 0.0005410200000000, 0.0002382300000000, 0.0006341900000000 ] - [ -0.0001364600000000, 0.0000496100000000, -0.0006289300000000 ] - [ 0.0008105900000000, -0.0010041200000000, 0.0003024100000000 ] - [ 0.0002784400000000, -0.0005570100000000, 0.0001591000000000 ] - [ 0.0001152300000000, -0.0004435300000000, 0.0002044400000000 ] - [ -0.0028882400000000, 0.0012678500000000, 0.0132456900000000 ] - [ 0.0005373000000000, -0.0005414600000000, -0.0004458800000000 ] - [ 0.0000010100000000, 0.0005289600000000, -0.0004588000000000 ] - [ -0.0000252600000000, 0.0003791100000000, -0.0003116700000000 ] - [ -0.0002715000000000, -0.0000581100000000, 0.0000909500000000 ] - [ 0.0014066900000000, -0.0001929100000000, 0.0015112000000000 ] - [ -0.0004657500000000, -0.0002134300000000, -0.0005584200000000 ] - [ -0.0005093700000000, -0.0005511100000000, -0.0005505800000000 ] - [ 0.0031871000000000, 0.0005671300000000, -0.0007004100000000 ] - [ 0.0001112000000000, -0.0005091200000000, -0.0004653800000000 ] - [ 0.0000486900000000, -0.0003245100000000, -0.0010900700000000 ] - [ -0.0006192200000000, 0.0008866400000000, 0.0010581400000000 ] - [ -0.0070934600000000, 0.0072457400000000, -0.0383732200000000 ] - [ 0.0000716200000000, 0.0006956400000000, 0.0000226600000000 ] - [ 0.0005392000000000, 0.0004689000000000, -0.0006044500000000 ] - [ -0.0002430100000000, -0.0014626800000000, -0.0029967500000000 ] - [ -0.0006064400000000, -0.0002153900000000, 0.0002817000000000 ] - [ 0.0002182000000000, -0.0000694000000000, 0.0002131700000000 ] - [ -0.0000381200000000, -0.0000540700000000, -0.0002565800000000 ] - [ 0.0004398100000000, 0.0005052100000000, 0.0000535500000000 ] - [ 0.0006077000000000, 0.0002437600000000, 0.0001313700000000 ] - [ -0.0003516500000000, 0.0004652000000000, 0.0000600200000000 ] - [ 0.0000345900000000, 0.0000223600000000, -0.0000051000000000 ] - [ 0.0003871200000000, 0.0013433600000000, 0.0003574500000000 ] - [ 0.0278791800000000, -0.0884808800000000, 0.1016825900000000 ] - [ 0.0098228500000000, -0.0033193300000000, 0.0052148700000000 ] - [ -0.0002914500000000, 0.0001956700000000, -0.0000308600000000 ] - [ -0.0003475200000000, 0.0002070800000000, 0.0000545500000000 ] - [ 0.0005743000000000, -0.0006050800000000, 0.0002806100000000 ] - [ -0.0008732400000000, 0.0007150900000000, -0.0004226500000000 ] - [ 0.0004643200000000, -0.0000636600000000, 0.0003513800000000 ] - [ -0.0000928800000000, 0.0004550300000000, 0.0000211600000000 ] - [ 0.0004319200000000, 0.0002467400000000, -0.0000550000000000 ] - [ -0.0009408600000000, 0.0001591200000000, -0.0003444500000000 ] - [ -0.0001797400000000, -0.0000934500000000, -0.0002099000000000 ] - [ -0.0028560100000000, 0.0085384600000000, -0.0219889000000000 ] - [ 0.0002039000000000, 0.0003175000000000, -0.0001009500000000 ] - [ -0.0000484200000000, -0.0000476600000000, 0.0000656600000000 ] - [ 0.0002190800000000, -0.0003254300000000, -0.0004175100000000 ] - [ 0.0001950400000000, 0.0001120400000000, -0.0000260600000000 ] - [ -0.0001093700000000, 0.0001690300000000, 0.0007050300000000 ] - [ -0.0000732400000000, -0.0001523000000000, -0.0000157800000000 ] - [ -0.0004103300000000, 0.0001766100000000, -0.0002256600000000 ] - [ 0.0001093700000000, -0.0003808400000000, 0.0007164800000000 ] - [ -0.0003982200000000, -0.0005517700000000, -0.0006298100000000 ] - [ 0.0000038000000000, -0.0001710400000000, -0.0000918600000000 ] - [ -0.0002117800000000, 0.0013117900000000, 0.0002519900000000 ] - [ 0.0000571400000000, 0.0010521000000000, -0.0001142300000000 ] - [ 0.0000438400000000, -0.0002574700000000, 0.0000430000000000 ] - [ -0.0002979300000000, -0.0000462100000000, 0.0001130400000000 ] - [ 0.0009840900000000, -0.0067045200000000, 0.0072869600000000 ] - [ 0.0002203500000000, -0.0001117000000000, 0.0000768100000000 ] - [ -0.0005360900000000, 0.0003220900000000, -0.0007102800000000 ] - [ -0.0006450900000000, -0.0001275700000000, -0.0001855600000000 ] - [ -0.0003430700000000, -0.0001309800000000, 0.0000359800000000 ] - [ 0.0002881200000000, 0.0000219600000000, 0.0001468400000000 ] - [ 0.0003005700000000, 0.0003815800000000, -0.0002286200000000 ] - [ 0.0000310200000000, -0.0000714400000000, 0.0002372000000000 ] - [ 0.0005307100000000, -0.0002534200000000, -0.0003204300000000 ] - [ 0.0003861700000000, 0.0000380500000000, 0.0000064800000000 ] - [ 0.0007714900000000, 0.0009682200000000, -0.0019936600000000 ] - [ -0.0011115700000000, 0.0000413600000000, 0.0002095800000000 ] - [ 0.0001522900000000, -0.0009993500000000, 0.0004380000000000 ] - [ 0.0000065100000000, -0.0000665500000000, 0.0002126900000000 ] - [ 0.0018339100000000, 0.0054812400000000, 0.0033863100000000 ] - [ -0.0171625500000000, 0.0147418400000000, -0.0104462200000000 ] - [ 0.0002817900000000, 0.0000687700000000, -0.0001041200000000 ] - [ 0.0008595300000000, 0.0015089200000000, -0.0026276300000000 ] - [ 0.0006319800000000, 0.0002497800000000, -0.0009425600000000 ] - [ 0.0005098800000000, 0.0004764000000000, -0.0003114000000000 ] - [ -0.0000207800000000, 0.0000067700000000, 0.0007726900000000 ] - [ -0.0000563600000000, -0.0010555600000000, 0.0008532500000000 ] - [ -0.0003438100000000, -0.0003083000000000, -0.0000514400000000 ] - [ -0.0001471100000000, -0.0002744400000000, -0.0001250600000000 ] - [ -0.0030872000000000, 0.0020533100000000, 0.0029691300000000 ] - [ 0.0003403400000000, 0.0001778200000000, 0.0000311000000000 ] - [ 0.0003732700000000, -0.0000431300000000, -0.0004175400000000 ] - [ 0.0001801000000000, 0.0002690500000000, -0.0000405600000000 ] - [ -0.0001739200000000, -0.0000326800000000, 0.0010488000000000 ] - [ -0.0000325400000000, -0.0001439700000000, -0.0001338600000000 ] - [ -0.0000599500000000, 0.0003492600000000, 0.0000624300000000 ] - [ 0.0000649000000000, -0.0000069300000000, 0.0000105500000000 ] - [ -0.0002458900000000, -0.0003463100000000, -0.0011916600000000 ] - [ -0.0000402100000000, 0.0000254000000000, -0.0000021300000000 ] - [ -0.0000251500000000, -0.0003976600000000, 0.0014894800000000 ] - [ -0.0011074300000000, -0.0005946800000000, -0.0036794000000000 ] - [ -0.0002267200000000, 0.0001546400000000, -0.0001900800000000 ] - [ -0.0012205300000000, -0.0003253400000000, -0.0025611700000000 ] - [ -0.0002267100000000, -0.0000262000000000, -0.0000115200000000 ] - [ -0.0003146500000000, -0.0000703500000000, -0.0000820400000000 ] - [ -0.0001298000000000, -0.0000274200000000, -0.0001643800000000 ] - [ 0.0002339300000000, -0.0001504300000000, 0.0001829800000000 ] - [ 0.0000013200000000, 0.0002911800000000, 0.0001373900000000 ] - [ 0.0001714300000000, 0.0001909900000000, -0.0000657400000000 ] - [ -0.0003635300000000, -0.0000084400000000, 0.0000631800000000 ] - [ 0.0002283000000000, 0.0000603100000000, -0.0000901600000000 ] - [ -0.0001887600000000, 0.0002100700000000, -0.0000462500000000 ] - [ -0.0002256800000000, 0.0000674300000000, -0.0001394800000000 ] - [ 0.0001033900000000, 0.0005677000000000, -0.0002491100000000 ] - [ -0.0000013200000000, -0.0000196300000000, -0.0001698000000000 ] - [ 0.0000974000000000, -0.0001713200000000, -0.0001352400000000 ] - [ 0.0000091600000000, 0.0002363300000000, -0.0000611300000000 ] - [ -0.0000172000000000, 0.0001867900000000, 0.0001934900000000 ] - [ 0.0008988100000000, 0.0003099200000000, 0.0001487300000000 ] - [ -0.0004291700000000, 0.0002628300000000, -0.0000768400000000 ] - [ 0.0003894100000000, -0.0001263100000000, 0.0000122600000000 ] - [ -0.0001797100000000, -0.0001497100000000, -0.0001284000000000 ] - [ -0.0002087000000000, -0.0005024200000000, 0.0001229500000000 ] - [ -0.0003825900000000, 0.0006269900000000, 0.0000340200000000 ] - [ -0.0001095400000000, 0.0001961400000000, 0.0007260100000000 ] - [ 0.0000183600000000, -0.0006779800000000, -0.0002846200000000 ] - [ 0.0025029300000000, -0.0033060800000000, -0.0068520000000000 ] - [ 0.0000968400000000, 0.0004799700000000, 0.0001542300000000 ] - [ -0.0005210800000000, -0.0001851600000000, 0.0001279000000000 ]- atom: 80 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0031181200000000, -0.0002754500000000, -0.0005925400000000 ] - [ -0.0008018600000000, 0.0000147400000000, 0.0000737900000000 ] - [ -0.0019271900000000, 0.0002411500000000, 0.0008538600000000 ] - [ -0.0002905900000000, -0.0008022400000000, 0.0003054100000000 ] - [ -0.0023507800000000, -0.0006030100000000, 0.0015246000000000 ] - [ -0.0008308900000000, 0.0000490000000000, 0.0002950100000000 ] - [ 0.0000378600000000, -0.0000951500000000, 0.0000713900000000 ] - [ 0.0028152200000000, 0.0001591400000000, -0.0003475000000000 ] - [ 0.0043137900000000, -0.0009601200000000, 0.0006176800000000 ] - [ -0.0016487800000000, -0.0005552400000000, -0.0011238400000000 ] - [ -0.0000239000000000, 0.0007648200000000, 0.0001208700000000 ] - [ 0.0044671800000000, 0.0002965400000000, -0.0002552800000000 ] - [ -0.0007933800000000, -0.0000500400000000, 0.0000415900000000 ] - [ -0.0003277400000000, 0.0008611300000000, 0.0003446900000000 ] - [ 0.0000603300000000, 0.0000058900000000, 0.0002046300000000 ] - [ -0.0002493000000000, 0.0008682600000000, 0.0000170800000000 ] - [ -0.0004133500000000, -0.0009320200000000, 0.0003928800000000 ] - [ -0.0001285100000000, 0.0008048200000000, -0.0000443700000000 ] - [ 0.0001405600000000, 0.0000894100000000, 0.0000213400000000 ] - [ -0.0003325000000000, -0.0008743700000000, -0.0000417100000000 ] - [ -0.0015567100000000, 0.0005495600000000, -0.0011271500000000 ] - [ 0.0000306000000000, 0.0000404200000000, 0.0000181200000000 ] - [ -0.0008843100000000, -0.0001999400000000, 0.0000240800000000 ] - [ -0.0003878600000000, -0.0007026900000000, -0.0001872700000000 ] - [ -0.0003840400000000, -0.0024486800000000, -0.0017558800000000 ] - [ 0.0021703100000000, -0.0032073100000000, 0.0000056200000000 ] - [ -0.0019379200000000, -0.0008064700000000, -0.0003232100000000 ] - [ 0.0026067800000000, 0.0014051600000000, -0.0000812700000000 ] - [ -0.0018285900000000, 0.0008004000000000, 0.0000274000000000 ] - [ -0.0016754900000000, -0.0015690500000000, 0.0003048500000000 ] - [ -0.0017913200000000, -0.0011965800000000, 0.0000231900000000 ] - [ -0.0001045200000000, 0.0010610200000000, 0.0004584900000000 ] - [ -0.0034509800000000, -0.0004729200000000, 0.0000021600000000 ] - [ 0.0031143400000000, 0.0009012500000000, 0.0060857900000000 ] - [ -0.0024071400000000, 0.0017431800000000, 0.0002608100000000 ] - [ 0.0007677900000000, -0.0014485600000000, 0.0002703800000000 ] - [ -0.0051576900000000, -0.0069545100000000, 0.0030304600000000 ] - [ -0.0012312300000000, 0.0013318800000000, -0.0000136700000000 ] - [ 0.0000583900000000, 0.0026862600000000, 0.0017306100000000 ] - [ -0.0009903300000000, -0.0009063800000000, -0.0001256300000000 ] - [ -0.0000101300000000, 0.0010322200000000, 0.0000003400000000 ] - [ -0.0015405000000000, 0.0009395100000000, -0.0002746100000000 ] - [ -0.0001048600000000, -0.0009683700000000, 0.0004405600000000 ] - [ -0.0012891300000000, 0.0005101000000000, -0.0002390800000000 ] - [ 0.1395334700000000, -0.0274516400000000, -0.0129918500000000 ] - [ -0.0002880100000000, -0.0004689600000000, -0.0002534200000000 ] - [ -0.0035378200000000, 0.0135300700000000, -0.0068946200000000 ] - [ 0.0029898100000000, 0.0013927000000000, -0.0001832600000000 ] - [ 0.0002650300000000, -0.0029168400000000, 0.0016032900000000 ] - [ 0.0026729800000000, -0.0012335800000000, 0.0008798600000000 ] - [ -0.0004519400000000, -0.0007943500000000, -0.0006139000000000 ] - [ 0.0004625100000000, 0.0005693400000000, 0.0003054100000000 ] - [ -0.0008456400000000, 0.0006123100000000, -0.0000519700000000 ] - [ -0.0016963900000000, 0.0004493400000000, 0.0005636200000000 ] - [ -0.0000455600000000, 0.0030509100000000, -0.0024374400000000 ] - [ 0.0015340200000000, 0.0013913200000000, -0.0005035800000000 ] - [ -0.0051806500000000, 0.0082173400000000, 0.0021289000000000 ] - [ -0.0031729000000000, -0.0011539900000000, 0.0005088100000000 ] - [ -0.0033700800000000, 0.0001130700000000, 0.0002080600000000 ] - [ 0.0078434800000000, 0.0020929700000000, 0.0119437000000000 ] - [ -0.0005066900000000, 0.0010642500000000, -0.0004922200000000 ] - [ -0.0007035700000000, -0.0019036200000000, -0.0004660800000000 ] - [ -0.0033787000000000, 0.0005435300000000, -0.0013078500000000 ] - [ -0.0014698200000000, 0.0005908000000000, -0.0007112000000000 ] - [ -0.0025948600000000, -0.0145529600000000, -0.0019426100000000 ] - [ -0.0027786000000000, 0.0001859100000000, 0.0000673100000000 ] - [ 0.1733676300000000, 0.0572667500000000, -0.0831357300000000 ] - [ 0.0028600000000000, -0.0016480400000000, 0.0008714800000000 ] - [ -0.0019006400000000, -0.0003505700000000, -0.0010921300000000 ] - [ 0.0024003600000000, 0.0037579500000000, 0.0005533300000000 ] - [ -0.0019785700000000, -0.0013252400000000, 0.0002512100000000 ] - [ -0.0002967600000000, -0.0007736400000000, 0.0001288500000000 ] - [ 0.0014980700000000, 0.0002170800000000, 0.0003362700000000 ] - [ 0.0001309000000000, -0.0004803700000000, 0.0000869700000000 ] - [ 0.0005101500000000, 0.0017884000000000, 0.0000424100000000 ] - [ -0.0003509600000000, -0.0004269000000000, -0.0000814800000000 ] - [ 0.0010008800000000, -0.0008638000000000, -0.0002583000000000 ] - [ 0.0009052400000000, 0.0020040900000000, -0.0029653500000000 ] - [ 0.0307116000000000, -0.0076764400000000, -0.0106197300000000 ] - [ -0.3917122900000000, -0.0420137300000000, 0.1329725200000000 ] - [ -0.0001215600000000, 0.0006971100000000, 0.0000743800000000 ] - [ 0.0006989400000000, -0.0003089100000000, -0.0003176800000000 ] - [ -0.0011324500000000, 0.0048180800000000, -0.0006866500000000 ] - [ -0.0008631200000000, -0.0003745000000000, -0.0002193400000000 ] - [ 0.0012360900000000, 0.0004043700000000, -0.0003558100000000 ] - [ 0.0033007000000000, -0.0010613900000000, -0.0002624100000000 ] - [ -0.0004733200000000, -0.0000671200000000, -0.0003184800000000 ] - [ 0.0010950200000000, -0.0001619800000000, 0.0006279500000000 ] - [ 0.0007554000000000, -0.0023230500000000, -0.0022419500000000 ] - [ 0.0007903900000000, -0.0022279700000000, 0.0039987600000000 ] - [ 0.0008465000000000, 0.0008762100000000, -0.0002778800000000 ] - [ 0.0002386400000000, -0.0008413000000000, 0.0001035400000000 ] - [ 0.0013786600000000, 0.0002237900000000, 0.0000009200000000 ] - [ 0.0010281900000000, 0.0000571200000000, -0.0001158900000000 ] - [ 0.0005182300000000, -0.0004389100000000, 0.0008965000000000 ] - [ 0.0013197200000000, -0.0000018600000000, 0.0001013000000000 ] - [ 0.0007994000000000, 0.0001654300000000, -0.0000081500000000 ] - [ 0.0038827000000000, 0.0015074400000000, -0.0003717900000000 ] - [ -0.0024388100000000, -0.0002431700000000, -0.0007816900000000 ] - [ 0.0000787400000000, 0.0003458200000000, -0.0001403800000000 ] - [ -0.0001351800000000, -0.0010511000000000, -0.0001429300000000 ] - [ -0.0009904400000000, 0.0019662600000000, -0.0003318400000000 ] - [ 0.0003119200000000, -0.0000172200000000, 0.0000831300000000 ] - [ 0.0001193300000000, -0.0005144700000000, 0.0001112300000000 ] - [ 0.0126713500000000, 0.0212483000000000, -0.0045291200000000 ] - [ 0.0003809600000000, -0.0007970500000000, 0.0001807900000000 ] - [ -0.0015948000000000, 0.0019649900000000, -0.0021255300000000 ] - [ -0.0005854700000000, -0.0025160500000000, -0.0020679500000000 ] - [ -0.0004138200000000, 0.0005659100000000, 0.0000595300000000 ] - [ 0.0176018700000000, 0.0100406000000000, 0.0048898900000000 ] - [ 0.0002841200000000, 0.0010544900000000, -0.0002886500000000 ] - [ -0.0004348600000000, 0.0041224400000000, -0.0001467100000000 ] - [ 0.0008885300000000, 0.0002863700000000, -0.0003450700000000 ] - [ 0.0001361600000000, 0.0007651000000000, -0.0000553300000000 ] - [ -0.0006471900000000, 0.0010913100000000, -0.0006807500000000 ] - [ 0.0012337200000000, -0.0013307000000000, -0.0000261100000000 ] - [ 0.0094934400000000, -0.0154962500000000, 0.0005602000000000 ] - [ 0.0014156900000000, 0.0000611000000000, 0.0000606600000000 ] - [ -0.0019435600000000, -0.0043897600000000, -0.0001702200000000 ] - [ -0.0037706400000000, 0.0045342500000000, -0.0148296700000000 ] - [ 0.0007414500000000, 0.0000316400000000, 0.0000135300000000 ] - [ -0.0009763800000000, -0.0021000100000000, 0.0007654700000000 ] - [ 0.0012147100000000, 0.0002751200000000, -0.0005598600000000 ] - [ 0.0016188000000000, 0.0004523300000000, -0.0005592100000000 ] - [ 0.0001656900000000, 0.0004836500000000, 0.0007741900000000 ] - [ 0.0022798300000000, -0.0000851000000000, 0.0003720000000000 ] - [ -0.0001212900000000, -0.0010051900000000, 0.0001133800000000 ] - [ 0.0009282200000000, -0.0012960000000000, -0.0000231800000000 ] - [ 0.0033241200000000, -0.0024656900000000, 0.0009362900000000 ] - [ 0.0016288000000000, -0.0000149800000000, 0.0001342900000000 ] - [ -0.0006981200000000, 0.0006815500000000, -0.0005861400000000 ] - [ -0.0003807300000000, 0.0008706500000000, -0.0005901900000000 ] - [ 0.0002564500000000, 0.0029052100000000, 0.0034087900000000 ] - [ 0.0018391800000000, 0.0000162800000000, 0.0003433300000000 ] - [ 0.0001806600000000, -0.0008260000000000, -0.0000487200000000 ] - [ 0.0000913100000000, -0.0006098300000000, -0.0001405600000000 ] - [ 0.0083748900000000, -0.0020001700000000, -0.0183847300000000 ] - [ 0.0003874000000000, 0.0006068300000000, -0.0000824100000000 ] - [ -0.0008788100000000, -0.0009971400000000, 0.0003222900000000 ] - [ 0.0008613600000000, -0.0004835600000000, 0.0002246800000000 ] - [ 0.0004041000000000, 0.0004235600000000, -0.0001406800000000 ] - [ -0.0067820000000000, -0.0010926200000000, -0.0034562100000000 ] - [ 0.0010306100000000, 0.0003322000000000, 0.0004869100000000 ] - [ 0.0020599700000000, 0.0000394300000000, -0.0005631300000000 ] - [ -0.0000598300000000, -0.0006995200000000, -0.0002239800000000 ] - [ -0.0002792100000000, -0.0042541500000000, 0.0002369100000000 ] - [ 0.0011282700000000, 0.0002736500000000, 0.0002578500000000 ] - [ 0.0013045500000000, 0.0014378400000000, 0.0002136500000000 ] - [ 0.0010968500000000, 0.0009774500000000, 0.0000581200000000 ] - [ 0.0002696400000000, 0.0005391000000000, -0.0001513600000000 ] - [ -0.0002117600000000, -0.0007060100000000, -0.0000402700000000 ] - [ -0.0001246200000000, -0.0009371800000000, -0.0002831100000000 ] - [ -0.0008481500000000, -0.0012207800000000, -0.0002269300000000 ] - [ 0.0010935600000000, -0.0012266000000000, 0.0000847500000000 ] - [ -0.0009543100000000, 0.0016523000000000, 0.0003704100000000 ] - [ 0.0021322100000000, -0.0002201100000000, 0.0001943800000000 ] - [ -0.0021010900000000, 0.0001737800000000, 0.0002307400000000 ] - [ -0.0020933900000000, -0.0003316500000000, 0.0000685700000000 ] - [ 0.0007141200000000, -0.0004644800000000, -0.0002480300000000 ] - [ 0.0039017400000000, 0.0028389800000000, -0.0005682900000000 ] - [ 0.0010474000000000, -0.0002638800000000, -0.0000720400000000 ] - [ 0.0013703400000000, 0.0002570100000000, 0.0000324200000000 ] - [ -0.0001846500000000, 0.0009894200000000, 0.0000968000000000 ] - [ -0.0009369800000000, -0.0004049300000000, 0.0006318700000000 ] - [ -0.0002659700000000, 0.0002953900000000, -0.0001394600000000 ] - [ -0.0006983900000000, -0.0013240200000000, -0.0010873500000000 ] - [ 0.0003404400000000, 0.0010757900000000, 0.0001755800000000 ] - [ 0.0005744100000000, 0.0008365200000000, 0.0002339200000000 ]- atom: 80 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0031834100000000, 0.0003250200000000, 0.0008239400000000 ] - [ 0.0008014400000000, -0.0000162400000000, 0.0000439100000000 ] - [ 0.0020546500000000, -0.0000835300000000, -0.0003986000000000 ] - [ 0.0001690300000000, 0.0006429000000000, 0.0001520300000000 ] - [ 0.0020487600000000, 0.0004069200000000, -0.0014824200000000 ] - [ 0.0010322100000000, -0.0000722200000000, 0.0001632900000000 ] - [ -0.0000371000000000, 0.0000981000000000, 0.0000432200000000 ] - [ -0.0027621400000000, -0.0001772000000000, 0.0005704900000000 ] - [ -0.0043322600000000, 0.0009692400000000, -0.0005113100000000 ] - [ 0.0017295700000000, 0.0003689500000000, 0.0015758400000000 ] - [ 0.0003270000000000, -0.0005759000000000, -0.0000870700000000 ] - [ -0.0044722300000000, -0.0003085600000000, 0.0003122600000000 ] - [ 0.0007953400000000, 0.0000495000000000, 0.0000751900000000 ] - [ 0.0002713300000000, -0.0008960500000000, -0.0001192800000000 ] - [ -0.0002586100000000, 0.0000171100000000, 0.0002540500000000 ] - [ 0.0001711500000000, -0.0006853700000000, 0.0004424900000000 ] - [ 0.0004166000000000, 0.0008675400000000, -0.0001705500000000 ] - [ 0.0001871800000000, -0.0007671400000000, 0.0002681600000000 ] - [ -0.0001537000000000, 0.0002686400000000, 0.0000132100000000 ] - [ 0.0003280000000000, 0.0009457300000000, 0.0002662300000000 ] - [ 0.0018790700000000, -0.0007220100000000, 0.0011683800000000 ] - [ -0.0000312800000000, -0.0000394000000000, 0.0000460900000000 ] - [ 0.0008979900000000, -0.0001579600000000, 0.0000095000000000 ] - [ 0.0000716800000000, 0.0008736400000000, 0.0002227000000000 ] - [ 0.0002137300000000, 0.0011657800000000, 0.0012624800000000 ] - [ -0.0024549700000000, 0.0035469600000000, -0.0000579300000000 ] - [ 0.0032245900000000, -0.0003265300000000, 0.0002124300000000 ] - [ -0.0014160400000000, -0.0008956500000000, -0.0004168400000000 ] - [ 0.0018084500000000, -0.0007636600000000, 0.0007734400000000 ] - [ 0.0013377300000000, -0.0000978700000000, -0.0004130900000000 ] - [ 0.0001721000000000, 0.0006568500000000, -0.0001269300000000 ] - [ 0.0001293500000000, -0.0010993700000000, 0.0003455300000000 ] - [ 0.0034174800000000, 0.0004769400000000, 0.0008036900000000 ] - [ -0.0041488800000000, -0.0001384500000000, -0.0066451300000000 ] - [ 0.0027537900000000, -0.0000821800000000, -0.0003687700000000 ] - [ -0.0011883600000000, 0.0013750700000000, -0.0003140000000000 ] - [ 0.0051782300000000, 0.0070180700000000, -0.0022324100000000 ] - [ -0.0000533700000000, -0.0002052400000000, -0.0000965200000000 ] - [ -0.0000713500000000, -0.0027362400000000, -0.0009340200000000 ] - [ 0.0012679500000000, 0.0005740800000000, 0.0000769400000000 ] - [ 0.0001651200000000, -0.0006178200000000, -0.0000397000000000 ] - [ 0.0003539700000000, -0.0014513800000000, -0.0002242100000000 ] - [ 0.0001485100000000, 0.0009684200000000, 0.0003636500000000 ] - [ 0.0029125900000000, 0.0000283700000000, 0.0001361900000000 ] - [ -0.1484299900000000, 0.0300111900000000, 0.0143079900000000 ] - [ 0.0004478000000000, 0.0017588600000000, -0.0002478200000000 ] - [ 0.0034040900000000, -0.0138898700000000, 0.0068119900000000 ] - [ -0.0019525200000000, -0.0021751400000000, -0.0003154800000000 ] - [ 0.0000066400000000, 0.0019005100000000, -0.0027406600000000 ] - [ -0.0010360500000000, 0.0015896800000000, -0.0002053200000000 ] - [ 0.0002597500000000, 0.0014295000000000, -0.0006615600000000 ] - [ 0.0006823000000000, -0.0018084500000000, 0.0003650100000000 ] - [ 0.0015308500000000, -0.0011406900000000, 0.0004173200000000 ] - [ 0.0015749600000000, -0.0012856600000000, -0.0002101900000000 ] - [ -0.0010786500000000, -0.0018191900000000, 0.0031004900000000 ] - [ -0.0008340400000000, -0.0015309800000000, -0.0007638600000000 ] - [ 0.0049240300000000, -0.0071876200000000, -0.0032660600000000 ] - [ 0.0033010500000000, 0.0019838500000000, -0.0001536600000000 ] - [ 0.0026133100000000, -0.0004410000000000, 0.0001456200000000 ] - [ -0.0084136400000000, -0.0037082100000000, -0.0113135800000000 ] - [ -0.0005424300000000, -0.0007766600000000, -0.0006475200000000 ] - [ -0.0000465300000000, 0.0011456000000000, -0.0006721100000000 ] - [ 0.0044212400000000, -0.0008314200000000, 0.0001646700000000 ] - [ 0.0010415000000000, -0.0011365400000000, -0.0005613300000000 ] - [ 0.0027836200000000, 0.0139958700000000, 0.0006720500000000 ] - [ 0.0020979000000000, 0.0003387000000000, 0.0002968200000000 ] - [ -0.1666202200000000, -0.0530554100000000, 0.0761002700000000 ] - [ -0.0023513100000000, 0.0032572200000000, -0.0001981900000000 ] - [ 0.0026541000000000, 0.0011140200000000, -0.0000423700000000 ] - [ -0.0019697400000000, -0.0032200400000000, -0.0018264800000000 ] - [ 0.0003315300000000, 0.0009732500000000, 0.0004246500000000 ] - [ 0.0010596200000000, 0.0010978500000000, 0.0002238200000000 ] - [ -0.0008908400000000, 0.0000948400000000, -0.0001664600000000 ] - [ 0.0005819900000000, 0.0008400300000000, 0.0001618100000000 ] - [ 0.0003536100000000, -0.0015183300000000, 0.0002066300000000 ] - [ -0.0004380300000000, 0.0008647400000000, 0.0001422200000000 ] - [ -0.0008547300000000, 0.0007155000000000, 0.0002146700000000 ] - [ -0.0007226000000000, -0.0017322000000000, 0.0028467300000000 ] - [ -0.0300969900000000, 0.0080386600000000, 0.0100332900000000 ] - [ 0.3924439000000000, 0.0352160400000000, -0.1284478600000000 ] - [ -0.0005952600000000, -0.0004426800000000, -0.0001090200000000 ] - [ -0.0012741400000000, 0.0006835500000000, 0.0004825800000000 ] - [ 0.0017806900000000, -0.0058128500000000, 0.0007219500000000 ] - [ -0.0005244400000000, 0.0012728100000000, -0.0004834200000000 ] - [ -0.0006647600000000, -0.0007740100000000, 0.0005202400000000 ] - [ -0.0033352000000000, 0.0019682400000000, 0.0003233500000000 ] - [ 0.0015736000000000, 0.0001214300000000, 0.0003317100000000 ] - [ -0.0012474600000000, 0.0004676600000000, -0.0007426000000000 ] - [ -0.0009450000000000, 0.0020483000000000, 0.0021303800000000 ] - [ -0.0007165600000000, 0.0026098400000000, -0.0044211700000000 ] - [ -0.0007891400000000, -0.0006763800000000, 0.0002348200000000 ] - [ -0.0000166600000000, 0.0003347600000000, 0.0000074200000000 ] - [ -0.0008313900000000, -0.0000324500000000, -0.0001240800000000 ] - [ -0.0008216100000000, -0.0000115800000000, 0.0000706300000000 ] - [ -0.0003727600000000, 0.0004535400000000, 0.0007124800000000 ] - [ -0.0013796400000000, -0.0001985900000000, -0.0001435700000000 ] - [ -0.0011795600000000, 0.0001285000000000, -0.0003220200000000 ] - [ -0.0034498800000000, -0.0018948200000000, 0.0002536000000000 ] - [ 0.0009745500000000, -0.0004961700000000, 0.0000830700000000 ] - [ -0.0001922500000000, -0.0009176100000000, 0.0000155900000000 ] - [ 0.0000192800000000, 0.0017785700000000, 0.0001194400000000 ] - [ 0.0011897200000000, -0.0010941700000000, 0.0005807800000000 ] - [ -0.0003462300000000, -0.0006644800000000, 0.0000811800000000 ] - [ -0.0007271800000000, 0.0002050000000000, 0.0000578300000000 ] - [ -0.0132396100000000, -0.0215618900000000, 0.0044546100000000 ] - [ 0.0002836400000000, 0.0001890800000000, 0.0000646100000000 ] - [ 0.0017027700000000, -0.0003237400000000, 0.0014365100000000 ] - [ 0.0002734500000000, 0.0020666200000000, 0.0021892100000000 ] - [ -0.0003652800000000, -0.0010293400000000, 0.0000037200000000 ] - [ -0.0182709500000000, -0.0103061200000000, -0.0053035900000000 ] - [ 0.0001665700000000, -0.0008724300000000, -0.0000472000000000 ] - [ 0.0007554000000000, -0.0036640900000000, 0.0002543900000000 ] - [ -0.0008634000000000, -0.0011922900000000, 0.0004055100000000 ] - [ 0.0004228600000000, -0.0008160100000000, 0.0001636000000000 ] - [ -0.0000315600000000, -0.0006806400000000, 0.0009366900000000 ] - [ -0.0019435600000000, 0.0009731400000000, 0.0002716600000000 ] - [ -0.0097041700000000, 0.0147102800000000, -0.0003312300000000 ] - [ -0.0015651600000000, 0.0000935300000000, -0.0001037900000000 ] - [ 0.0024508600000000, 0.0053855100000000, 0.0001914300000000 ] - [ 0.0037097700000000, -0.0046817000000000, 0.0166132500000000 ] - [ -0.0003954200000000, -0.0001015500000000, -0.0002767400000000 ] - [ 0.0008981100000000, 0.0019884700000000, -0.0007461800000000 ] - [ -0.0013072700000000, 0.0000272200000000, 0.0002793100000000 ] - [ -0.0001532500000000, 0.0002922000000000, -0.0001409500000000 ] - [ -0.0002280500000000, -0.0006224000000000, 0.0008330400000000 ] - [ -0.0014864900000000, -0.0003493400000000, -0.0003102700000000 ] - [ -0.0004015300000000, 0.0000119800000000, -0.0000973500000000 ] - [ -0.0008127900000000, 0.0005715900000000, -0.0000008800000000 ] - [ -0.0039816500000000, 0.0030590900000000, -0.0006847100000000 ] - [ -0.0008522400000000, 0.0004789000000000, -0.0000718000000000 ] - [ 0.0009984700000000, -0.0009457900000000, 0.0001466600000000 ] - [ 0.0007555400000000, -0.0007509400000000, 0.0001502400000000 ] - [ -0.0001898700000000, -0.0027847900000000, -0.0018194600000000 ] - [ -0.0020525100000000, -0.0000611600000000, -0.0003891600000000 ] - [ -0.0001096300000000, 0.0009422200000000, 0.0000653600000000 ] - [ 0.0000602800000000, 0.0003058800000000, 0.0000207300000000 ] - [ -0.0088425100000000, 0.0019105500000000, 0.0181205600000000 ] - [ -0.0003128900000000, -0.0007412800000000, 0.0001010500000000 ] - [ 0.0007309900000000, 0.0009843000000000, 0.0012842300000000 ] - [ -0.0010945600000000, 0.0009920300000000, -0.0001158500000000 ] - [ -0.0007011200000000, -0.0001601300000000, -0.0003021800000000 ] - [ 0.0069561300000000, 0.0010884900000000, 0.0034775600000000 ] - [ -0.0013729100000000, -0.0003136100000000, -0.0006125500000000 ] - [ -0.0024096100000000, 0.0000327600000000, 0.0003009800000000 ] - [ -0.0000251200000000, 0.0003149100000000, -0.0002189700000000 ] - [ 0.0009454400000000, 0.0038406800000000, 0.0000045000000000 ] - [ -0.0010961200000000, 0.0004096600000000, -0.0000938200000000 ] - [ -0.0010869000000000, -0.0011852100000000, -0.0004801200000000 ] - [ -0.0016561700000000, -0.0009292600000000, 0.0000493900000000 ] - [ 0.0000700300000000, -0.0005594500000000, 0.0000310500000000 ] - [ -0.0003371200000000, 0.0005200300000000, -0.0000804200000000 ] - [ 0.0000565400000000, 0.0004544300000000, -0.0000532100000000 ] - [ 0.0014254700000000, 0.0017116400000000, 0.0001974200000000 ] - [ -0.0010032400000000, 0.0009306700000000, -0.0003647300000000 ] - [ 0.0008871000000000, -0.0015241800000000, -0.0003533100000000 ] - [ -0.0020245300000000, 0.0007941600000000, -0.0003197700000000 ] - [ 0.0019646100000000, -0.0001708100000000, -0.0002141000000000 ] - [ 0.0024708500000000, 0.0000342200000000, -0.0004018600000000 ] - [ -0.0011554400000000, 0.0008550200000000, 0.0001301100000000 ] - [ -0.0031980600000000, -0.0031108000000000, 0.0005387600000000 ] - [ -0.0012680400000000, 0.0000146600000000, -0.0001958400000000 ] - [ -0.0013901100000000, -0.0010534500000000, 0.0002126000000000 ] - [ -0.0004479800000000, -0.0000175700000000, -0.0000637000000000 ] - [ 0.0008469400000000, 0.0005292100000000, 0.0009825200000000 ] - [ 0.0001728800000000, -0.0019424000000000, -0.0005608100000000 ] - [ 0.0020636100000000, 0.0004409700000000, 0.0003983100000000 ] - [ -0.0003207200000000, -0.0002838400000000, 0.0000688800000000 ] - [ -0.0014358600000000, -0.0011106400000000, 0.0000127800000000 ]- atom: 80 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0014604600000000, -0.0015731200000000, -0.0017032700000000 ] - [ 0.0003259700000000, -0.0000006300000000, 0.0000815600000000 ] - [ 0.0009959100000000, 0.0005492100000000, -0.0000208300000000 ] - [ -0.0002753700000000, -0.0001047800000000, 0.0002476600000000 ] - [ 0.0008917200000000, 0.0009233100000000, -0.0008447200000000 ] - [ 0.0005810500000000, 0.0000197300000000, 0.0001771200000000 ] - [ 0.0000277000000000, -0.0003360200000000, 0.0000863100000000 ] - [ -0.0009772800000000, -0.0011883000000000, 0.0017678300000000 ] - [ -0.0021170000000000, 0.0015249600000000, 0.0007691500000000 ] - [ 0.0004290800000000, 0.0011085700000000, 0.0006581200000000 ] - [ 0.0005344900000000, -0.0005445600000000, -0.0000995600000000 ] - [ -0.0021516400000000, -0.0003571800000000, -0.0022568600000000 ] - [ 0.0003777200000000, 0.0000325900000000, 0.0000358100000000 ] - [ 0.0005235700000000, -0.0006492900000000, -0.0000917400000000 ] - [ -0.0001431100000000, -0.0004788500000000, 0.0002709600000000 ] - [ 0.0004131700000000, -0.0006083200000000, 0.0004775600000000 ] - [ -0.0002117200000000, 0.0001514600000000, 0.0000987900000000 ] - [ 0.0005199200000000, -0.0006556000000000, 0.0003012400000000 ] - [ -0.0001176200000000, -0.0002686200000000, -0.0000352900000000 ] - [ -0.0002120600000000, 0.0001430000000000, 0.0001142900000000 ] - [ 0.0011453000000000, 0.0004171700000000, 0.0006936500000000 ] - [ -0.0000107800000000, -0.0003906900000000, 0.0000055100000000 ] - [ 0.0004233900000000, -0.0001103500000000, 0.0000233400000000 ] - [ -0.0004091900000000, 0.0000767300000000, -0.0000139600000000 ] - [ -0.0006340200000000, 0.0009899900000000, -0.0001895600000000 ] - [ -0.0017353400000000, -0.0005445200000000, 0.0000354900000000 ] - [ 0.0018905000000000, 0.0002904500000000, 0.0000805900000000 ] - [ 0.0003535100000000, -0.0011270500000000, -0.0007318000000000 ] - [ 0.0014531000000000, -0.0002319200000000, 0.0006869300000000 ] - [ -0.0002858700000000, -0.0002615100000000, -0.0000756700000000 ] - [ -0.0005979300000000, -0.0005271700000000, -0.0001044700000000 ] - [ 0.0006298000000000, -0.0016784600000000, 0.0003082000000000 ] - [ 0.0005698600000000, 0.0005451700000000, 0.0004855200000000 ] - [ -0.0024917700000000, 0.0028607800000000, -0.0010729000000000 ] - [ 0.0026152900000000, 0.0003788100000000, -0.0005092800000000 ] - [ -0.0008635700000000, -0.0003028600000000, 0.0000906500000000 ] - [ -0.0015860000000000, -0.0003503000000000, 0.0014843200000000 ] - [ -0.0002827900000000, -0.0002654300000000, -0.0000337900000000 ] - [ 0.0005271900000000, -0.0007665200000000, -0.0010953400000000 ] - [ 0.0005526600000000, -0.0002180400000000, 0.0000311800000000 ] - [ 0.0005908000000000, -0.0009465800000000, -0.0000648400000000 ] - [ 0.0000318800000000, -0.0012555500000000, -0.0002454600000000 ] - [ -0.0005138900000000, -0.0003582600000000, 0.0004152400000000 ] - [ 0.0018323000000000, 0.0006068300000000, 0.0000413400000000 ] - [ -0.0975122300000000, 0.0382346600000000, 0.0100519300000000 ] - [ -0.0003760200000000, 0.0003311700000000, -0.0002572200000000 ] - [ 0.0059623100000000, -0.0077782500000000, 0.0039762900000000 ] - [ -0.0004863300000000, -0.0026985100000000, -0.0005001400000000 ] - [ -0.0006363000000000, 0.0006884000000000, -0.0005182600000000 ] - [ -0.0011448100000000, -0.0002779700000000, 0.0005969200000000 ] - [ -0.0004589300000000, -0.0000330200000000, -0.0006983900000000 ] - [ 0.0013747900000000, -0.0020793000000000, 0.0004514200000000 ] - [ 0.0011244500000000, -0.0014623400000000, 0.0003819800000000 ] - [ 0.0013538200000000, -0.0006463800000000, -0.0002131400000000 ] - [ -0.0002296400000000, 0.0000958500000000, 0.0031877000000000 ] - [ 0.0002416700000000, -0.0017395100000000, -0.0011234800000000 ] - [ 0.0062098900000000, -0.0068949600000000, -0.0042457800000000 ] - [ 0.0000164000000000, 0.0008131700000000, 0.0002292900000000 ] - [ 0.0009327000000000, 0.0003877100000000, 0.0001561000000000 ] - [ -0.0033300900000000, 0.0005093700000000, -0.0055046100000000 ] - [ 0.0000946100000000, -0.0012088900000000, -0.0006717900000000 ] - [ -0.0009081700000000, -0.0009055900000000, -0.0005758600000000 ] - [ 0.0036639400000000, -0.0000773700000000, -0.0000633800000000 ] - [ 0.0006122600000000, -0.0011713000000000, -0.0005321500000000 ] - [ -0.0019680600000000, 0.0057961100000000, -0.0010275700000000 ] - [ 0.0007065700000000, 0.0008667400000000, 0.0002278900000000 ] - [ -0.0381894100000000, 0.0279847000000000, 0.0090743600000000 ] - [ -0.0009717100000000, 0.0001140500000000, 0.0004328200000000 ] - [ 0.0008714400000000, 0.0008487000000000, -0.0004909500000000 ] - [ -0.0003417100000000, -0.0042679800000000, -0.0022061300000000 ] - [ -0.0004169500000000, -0.0000488100000000, 0.0003415500000000 ] - [ 0.0005160600000000, 0.0000591700000000, 0.0002025400000000 ] - [ -0.0001764700000000, -0.0001509700000000, -0.0000123800000000 ] - [ 0.0000108600000000, 0.0012895300000000, 0.0001838900000000 ] - [ 0.0010612700000000, 0.0006057300000000, 0.0001751000000000 ] - [ -0.0005010200000000, 0.0010540300000000, 0.0001437800000000 ] - [ -0.0005768300000000, 0.0005024100000000, 0.0001742500000000 ] - [ 0.0005480800000000, -0.0002903800000000, -0.0005697300000000 ] - [ -0.0240496300000000, -0.0017164600000000, 0.0077871700000000 ] - [ 0.1646861800000000, -0.0572641500000000, -0.0274925500000000 ] - [ 0.0000336800000000, 0.0002218100000000, -0.0000006900000000 ] - [ -0.0011025400000000, 0.0002915100000000, 0.0005130900000000 ] - [ 0.0031756100000000, -0.0013742300000000, 0.0007097300000000 ] - [ -0.0010547500000000, 0.0017453500000000, -0.0005953600000000 ] - [ 0.0003221800000000, -0.0003665800000000, 0.0000522500000000 ] - [ -0.0042879300000000, 0.0014794300000000, 0.0002387400000000 ] - [ 0.0009827800000000, 0.0004988000000000, 0.0001845900000000 ] - [ -0.0010342100000000, 0.0001895900000000, -0.0005469500000000 ] - [ -0.0013422200000000, 0.0013106200000000, 0.0026268300000000 ] - [ -0.0015804200000000, 0.0010057600000000, -0.0036584100000000 ] - [ -0.0000766100000000, 0.0000121600000000, 0.0000045900000000 ] - [ -0.0005305300000000, 0.0004699100000000, 0.0000185700000000 ] - [ -0.0004348800000000, -0.0003436100000000, -0.0000797800000000 ] - [ -0.0003160700000000, 0.0002556700000000, 0.0000043400000000 ] - [ -0.0002949000000000, 0.0004251600000000, 0.0007394900000000 ] - [ -0.0010061600000000, -0.0005537500000000, -0.0001580800000000 ] - [ -0.0007056800000000, 0.0002854800000000, -0.0002476900000000 ] - [ 0.0011774100000000, -0.0006940800000000, -0.0000723300000000 ] - [ 0.0002284100000000, 0.0004388600000000, -0.0000738600000000 ] - [ 0.0000019700000000, -0.0001306300000000, -0.0000709800000000 ] - [ -0.0007196700000000, 0.0025077900000000, 0.0000268400000000 ] - [ 0.0008630900000000, 0.0001197000000000, 0.0003820500000000 ] - [ -0.0000646800000000, -0.0001966200000000, 0.0000877300000000 ] - [ -0.0006281700000000, 0.0002805900000000, 0.0000416900000000 ] - [ 0.0112922400000000, -0.0002750100000000, -0.0017064000000000 ] - [ -0.0001963000000000, 0.0002950500000000, 0.0000782400000000 ] - [ 0.0010201000000000, -0.0014391100000000, 0.0011236300000000 ] - [ -0.0000061700000000, -0.0002343500000000, 0.0008568500000000 ] - [ -0.0003176400000000, 0.0000284100000000, 0.0000054500000000 ] - [ -0.0034722800000000, -0.0073522900000000, -0.0017451100000000 ] - [ 0.0005385500000000, 0.0004056900000000, -0.0002447200000000 ] - [ 0.0007234800000000, 0.0003473000000000, -0.0000546100000000 ] - [ 0.0004157500000000, -0.0007609800000000, -0.0000532600000000 ] - [ 0.0008737100000000, 0.0004588400000000, -0.0000346100000000 ] - [ 0.0001770800000000, -0.0008292700000000, 0.0001190600000000 ] - [ -0.0014859800000000, 0.0005485800000000, 0.0001986200000000 ] - [ -0.0155743100000000, 0.0131937300000000, 0.0000982400000000 ] - [ -0.0002365500000000, -0.0003410200000000, 0.0000087000000000 ] - [ -0.0003940000000000, 0.0053452200000000, 0.0006335800000000 ] - [ 0.0058597400000000, -0.0075246900000000, -0.0003049700000000 ] - [ -0.0000472800000000, 0.0002234800000000, -0.0001573400000000 ] - [ -0.0000254000000000, 0.0008366200000000, -0.0005821500000000 ] - [ -0.0004121900000000, -0.0003474700000000, 0.0000012800000000 ] - [ 0.0003198100000000, 0.0005902800000000, -0.0002770700000000 ] - [ 0.0001218300000000, 0.0000441900000000, 0.0008265900000000 ] - [ -0.0009067800000000, -0.0008574100000000, -0.0001443400000000 ] - [ -0.0004045800000000, 0.0001667200000000, -0.0001198700000000 ] - [ -0.0006384500000000, 0.0002857100000000, 0.0000340200000000 ] - [ -0.0034680400000000, 0.0017356800000000, -0.0003055000000000 ] - [ 0.0000158600000000, 0.0000465400000000, 0.0000296800000000 ] - [ 0.0008923600000000, 0.0003656700000000, -0.0004327000000000 ] - [ 0.0005826100000000, 0.0002438500000000, -0.0004040100000000 ] - [ 0.0006845100000000, -0.0012622100000000, 0.0004407500000000 ] - [ -0.0010053700000000, -0.0002224700000000, -0.0001857200000000 ] - [ -0.0002069700000000, 0.0009977700000000, 0.0000589100000000 ] - [ -0.0001894000000000, 0.0005246500000000, 0.0000588300000000 ] - [ -0.0043678400000000, -0.0032344700000000, 0.0083172000000000 ] - [ 0.0000168300000000, 0.0000065400000000, -0.0000145500000000 ] - [ -0.0001312100000000, 0.0011534200000000, 0.0016740100000000 ] - [ -0.0012033700000000, 0.0003101200000000, -0.0003414000000000 ] - [ -0.0003528400000000, 0.0001662300000000, -0.0002391200000000 ] - [ 0.0025875600000000, -0.0009461900000000, 0.0016183800000000 ] - [ -0.0003820700000000, -0.0002534500000000, -0.0001447200000000 ] - [ -0.0012224400000000, -0.0002291800000000, 0.0000772600000000 ] - [ -0.0002827100000000, 0.0004245600000000, -0.0002389600000000 ] - [ 0.0001949900000000, 0.0034258500000000, 0.0001898700000000 ] - [ -0.0004883900000000, 0.0001426100000000, -0.0000132500000000 ] - [ 0.0001148300000000, 0.0000494600000000, -0.0001744000000000 ] - [ -0.0006376500000000, -0.0002378200000000, 0.0000834700000000 ] - [ 0.0004101900000000, 0.0001888600000000, -0.0000656100000000 ] - [ -0.0003325500000000, 0.0008973200000000, -0.0000292900000000 ] - [ -0.0004594600000000, 0.0007793500000000, 0.0000873400000000 ] - [ 0.0005260100000000, 0.0012247200000000, 0.0000714300000000 ] - [ -0.0009192300000000, 0.0008462500000000, -0.0003204300000000 ] - [ 0.0009347700000000, -0.0006364800000000, -0.0003140700000000 ] - [ -0.0005899800000000, 0.0000209900000000, -0.0001894400000000 ] - [ 0.0009404000000000, 0.0008662800000000, -0.0001505300000000 ] - [ 0.0013155200000000, 0.0009618100000000, -0.0001358500000000 ] - [ -0.0012369800000000, 0.0004195000000000, 0.0001692100000000 ] - [ 0.0001407100000000, -0.0014594600000000, 0.0000884400000000 ] - [ -0.0008490300000000, -0.0003887800000000, -0.0000570800000000 ] - [ -0.0001597900000000, -0.0009959100000000, 0.0003160500000000 ] - [ -0.0003128600000000, 0.0006503200000000, 0.0000176800000000 ] - [ 0.0001448800000000, 0.0009373900000000, 0.0012450200000000 ] - [ 0.0003610700000000, -0.0002732700000000, -0.0002152200000000 ] - [ 0.0014306100000000, -0.0020258000000000, -0.0008269300000000 ] - [ 0.0004610100000000, 0.0005555000000000, 0.0001600000000000 ] - [ -0.0006581300000000, -0.0004503000000000, 0.0000586600000000 ]- atom: 80 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0013758300000000, 0.0016059600000000, 0.0019226000000000 ] - [ -0.0003231200000000, 0.0000002000000000, 0.0000349000000000 ] - [ -0.0008721300000000, -0.0003872900000000, 0.0004785000000000 ] - [ 0.0001553800000000, -0.0000511300000000, 0.0002090400000000 ] - [ -0.0011865700000000, -0.0011172800000000, 0.0008775300000000 ] - [ -0.0003819100000000, -0.0000436900000000, 0.0002805300000000 ] - [ -0.0000288400000000, 0.0003373800000000, 0.0000298000000000 ] - [ 0.0010220500000000, 0.0011583300000000, -0.0015317300000000 ] - [ 0.0021020700000000, -0.0015956200000000, -0.0005852300000000 ] - [ -0.0003439300000000, -0.0012941300000000, -0.0001981400000000 ] - [ -0.0002302300000000, 0.0007319900000000, 0.0001323300000000 ] - [ 0.0021494800000000, 0.0003198000000000, 0.0022995400000000 ] - [ -0.0003732800000000, -0.0000317600000000, 0.0000810700000000 ] - [ -0.0005819700000000, 0.0006108400000000, 0.0003160900000000 ] - [ -0.0000543100000000, 0.0005028800000000, 0.0001872000000000 ] - [ -0.0004893400000000, 0.0007878200000000, -0.0000164000000000 ] - [ 0.0002170800000000, -0.0002190000000000, 0.0001251800000000 ] - [ -0.0004642000000000, 0.0006921400000000, -0.0000780100000000 ] - [ 0.0001053600000000, 0.0006284700000000, 0.0000696200000000 ] - [ 0.0002082300000000, -0.0000725400000000, 0.0001090200000000 ] - [ -0.0008230300000000, -0.0005814200000000, -0.0006533200000000 ] - [ 0.0000083400000000, 0.0003898200000000, 0.0000589800000000 ] - [ -0.0004087000000000, -0.0002481600000000, 0.0000105700000000 ] - [ 0.0000927500000000, 0.0000952500000000, 0.0000505500000000 ] - [ 0.0004724200000000, -0.0022758800000000, -0.0003114800000000 ] - [ 0.0014632200000000, 0.0008848600000000, -0.0000850500000000 ] - [ -0.0005990900000000, -0.0014230200000000, -0.0001900800000000 ] - [ 0.0008296800000000, 0.0016390700000000, 0.0002361500000000 ] - [ -0.0014744200000000, 0.0002648000000000, 0.0001153000000000 ] - [ -0.0000490200000000, -0.0014025300000000, -0.0000348000000000 ] - [ -0.0010168500000000, -0.0000089700000000, 0.0000002800000000 ] - [ -0.0006058700000000, 0.0016429200000000, 0.0004965200000000 ] - [ -0.0006130400000000, -0.0005421300000000, 0.0003186000000000 ] - [ 0.0014499000000000, -0.0021079800000000, 0.0005022800000000 ] - [ -0.0022555300000000, 0.0012846800000000, 0.0003971600000000 ] - [ 0.0004374200000000, 0.0002295700000000, -0.0001361600000000 ] - [ 0.0016343300000000, 0.0004321900000000, -0.0006989700000000 ] - [ -0.0009986600000000, 0.0013933400000000, -0.0000760100000000 ] - [ -0.0005389200000000, 0.0007227600000000, 0.0018814800000000 ] - [ -0.0002756000000000, -0.0001160800000000, -0.0000804800000000 ] - [ -0.0004381500000000, 0.0013578400000000, 0.0000253900000000 ] - [ -0.0012196600000000, 0.0007384700000000, -0.0002529600000000 ] - [ 0.0005608600000000, 0.0003611600000000, 0.0003891700000000 ] - [ -0.0002065200000000, -0.0000664800000000, -0.0001444700000000 ] - [ 0.0936568300000000, -0.0380061400000000, -0.0094913400000000 ] - [ 0.0005365800000000, 0.0009580600000000, -0.0002432900000000 ] - [ -0.0061497100000000, 0.0073439200000000, -0.0040036100000000 ] - [ 0.0015123700000000, 0.0019053000000000, 0.0000013100000000 ] - [ 0.0009011600000000, -0.0017027400000000, -0.0006308200000000 ] - [ 0.0027954000000000, 0.0006398700000000, 0.0000764100000000 ] - [ 0.0002672400000000, 0.0006680800000000, -0.0005766100000000 ] - [ -0.0002318100000000, 0.0008342700000000, 0.0002199700000000 ] - [ -0.0004340000000000, 0.0009349800000000, -0.0000153400000000 ] - [ -0.0014698800000000, -0.0001858600000000, 0.0005643500000000 ] - [ -0.0009098600000000, 0.0011309600000000, -0.0025260900000000 ] - [ 0.0004551200000000, 0.0015937700000000, -0.0001475000000000 ] - [ -0.0064300800000000, 0.0078787100000000, 0.0030776900000000 ] - [ 0.0001216000000000, 0.0000227200000000, 0.0001244700000000 ] - [ -0.0016877900000000, -0.0007087900000000, 0.0001967700000000 ] - [ 0.0027884100000000, -0.0021185000000000, 0.0061608500000000 ] - [ -0.0011458300000000, 0.0014980000000000, -0.0004669900000000 ] - [ 0.0001609000000000, 0.0001495700000000, -0.0005612400000000 ] - [ -0.0026126200000000, -0.0002155900000000, -0.0010748700000000 ] - [ -0.0010417800000000, 0.0006213500000000, -0.0007398400000000 ] - [ 0.0021631100000000, -0.0064350000000000, -0.0002474400000000 ] - [ -0.0013830700000000, -0.0003437700000000, 0.0001367100000000 ] - [ 0.0365987900000000, -0.0279970400000000, -0.0098300800000000 ] - [ 0.0014646200000000, 0.0015033500000000, 0.0002368900000000 ] - [ -0.0001184000000000, -0.0000862000000000, -0.0006460700000000 ] - [ 0.0007725700000000, 0.0048260700000000, 0.0009420900000000 ] - [ -0.0012319600000000, -0.0003060800000000, 0.0003340400000000 ] - [ 0.0002496500000000, 0.0002687600000000, 0.0001505400000000 ] - [ 0.0007812600000000, 0.0004630800000000, 0.0001823600000000 ] - [ 0.0007043500000000, -0.0009328200000000, 0.0000650900000000 ] - [ -0.0002012700000000, -0.0003376200000000, 0.0000736200000000 ] - [ -0.0002889100000000, -0.0006170700000000, -0.0000827900000000 ] - [ 0.0007209600000000, -0.0006537000000000, -0.0002179400000000 ] - [ -0.0003684200000000, 0.0005574600000000, 0.0004669800000000 ] - [ 0.0243773700000000, 0.0022594600000000, -0.0082252800000000 ] - [ -0.1604469000000000, 0.0573439700000000, 0.0262513300000000 ] - [ -0.0007534900000000, 0.0000318200000000, -0.0000343600000000 ] - [ 0.0005232300000000, 0.0000802700000000, -0.0003434600000000 ] - [ -0.0025496800000000, 0.0003970800000000, -0.0006790200000000 ] - [ -0.0003324600000000, -0.0008422400000000, -0.0001089900000000 ] - [ 0.0002472300000000, -0.0000056800000000, 0.0001164200000000 ] - [ 0.0042180000000000, -0.0005679100000000, -0.0001760700000000 ] - [ 0.0001207800000000, -0.0004431700000000, -0.0001704700000000 ] - [ 0.0008807400000000, 0.0001173500000000, 0.0004254100000000 ] - [ 0.0011449000000000, -0.0015804200000000, -0.0027205900000000 ] - [ 0.0016697200000000, -0.0006148300000000, 0.0032276100000000 ] - [ 0.0001328100000000, 0.0001851800000000, -0.0000469400000000 ] - [ 0.0007551600000000, -0.0009751600000000, 0.0000915500000000 ] - [ 0.0009816800000000, 0.0005372300000000, -0.0000434000000000 ] - [ 0.0005195200000000, -0.0002122700000000, -0.0000494200000000 ] - [ 0.0004415400000000, -0.0004091700000000, 0.0008697100000000 ] - [ 0.0009395200000000, 0.0003464600000000, 0.0001146200000000 ] - [ 0.0003254300000000, 0.0000088000000000, -0.0000826700000000 ] - [ -0.0007550100000000, 0.0003032300000000, -0.0000456900000000 ] - [ -0.0016964800000000, -0.0011873500000000, -0.0006271000000000 ] - [ -0.0001153800000000, -0.0004445800000000, -0.0000540000000000 ] - [ 0.0006058000000000, -0.0017879200000000, -0.0000511400000000 ] - [ -0.0006566500000000, 0.0007493100000000, -0.0001284200000000 ] - [ 0.0000291700000000, -0.0004874600000000, 0.0000781800000000 ] - [ 0.0000182300000000, -0.0005914600000000, 0.0001282800000000 ] - [ -0.0119119100000000, -0.0003192700000000, 0.0017047400000000 ] - [ 0.0008613800000000, -0.0009034100000000, 0.0001678200000000 ] - [ -0.0009217500000000, 0.0030872800000000, -0.0018179200000000 ] - [ -0.0003048900000000, -0.0002280100000000, -0.0007465600000000 ] - [ -0.0004638600000000, -0.0004934500000000, 0.0000585100000000 ] - [ 0.0030276200000000, 0.0071379000000000, 0.0013934900000000 ] - [ -0.0000871900000000, -0.0002230900000000, -0.0000914800000000 ] - [ -0.0004030400000000, 0.0000891400000000, 0.0001618100000000 ] - [ -0.0003915600000000, -0.0001468200000000, 0.0001160900000000 ] - [ -0.0003187600000000, -0.0005125000000000, 0.0001431100000000 ] - [ -0.0008501400000000, 0.0012446900000000, 0.0001381200000000 ] - [ 0.0007720600000000, -0.0009017500000000, 0.0000477100000000 ] - [ 0.0151326600000000, -0.0138695400000000, 0.0001166900000000 ] - [ 0.0000829100000000, 0.0004961700000000, -0.0000522400000000 ] - [ 0.0009349500000000, -0.0043735100000000, -0.0006229700000000 ] - [ -0.0058354000000000, 0.0073480700000000, 0.0020976500000000 ] - [ 0.0003902100000000, -0.0002954500000000, -0.0001066400000000 ] - [ -0.0000468900000000, -0.0009432000000000, 0.0006006800000000 ] - [ 0.0003168800000000, 0.0006486300000000, -0.0002803100000000 ] - [ 0.0011479200000000, 0.0001558400000000, -0.0004243200000000 ] - [ -0.0001851200000000, -0.0001835400000000, 0.0007809500000000 ] - [ 0.0016953800000000, 0.0004240900000000, 0.0002042600000000 ] - [ -0.0001161000000000, -0.0011564900000000, 0.0001343400000000 ] - [ 0.0007548700000000, -0.0010085700000000, -0.0000589700000000 ] - [ 0.0028017600000000, -0.0011237600000000, 0.0005504900000000 ] - [ 0.0007611000000000, 0.0004159700000000, 0.0000332900000000 ] - [ -0.0005979200000000, -0.0006337000000000, -0.0000063600000000 ] - [ -0.0002049400000000, -0.0001261000000000, -0.0000316900000000 ] - [ -0.0006235200000000, 0.0013964100000000, 0.0011628300000000 ] - [ 0.0007874700000000, 0.0001770300000000, 0.0001394000000000 ] - [ 0.0002795500000000, -0.0008788900000000, -0.0000418900000000 ] - [ 0.0003415200000000, -0.0008300100000000, -0.0001830500000000 ] - [ 0.0039725400000000, 0.0030807100000000, -0.0086996400000000 ] - [ 0.0000567800000000, -0.0001397900000000, 0.0000330100000000 ] - [ -0.0000128500000000, -0.0011691300000000, -0.0000718000000000 ] - [ 0.0009738400000000, 0.0002007300000000, 0.0004529900000000 ] - [ 0.0000564300000000, 0.0000976300000000, -0.0002015400000000 ] - [ -0.0024213500000000, 0.0009393600000000, -0.0015839700000000 ] - [ 0.0000412800000000, 0.0002721500000000, 0.0000185600000000 ] - [ 0.0008700300000000, 0.0002998700000000, -0.0003390300000000 ] - [ 0.0001989900000000, -0.0008070300000000, -0.0002026400000000 ] - [ 0.0004718500000000, -0.0038194500000000, 0.0000540100000000 ] - [ 0.0005188600000000, 0.0005391000000000, 0.0001790900000000 ] - [ 0.0000983100000000, 0.0001974600000000, -0.0000933000000000 ] - [ 0.0000803500000000, 0.0002860300000000, 0.0000235800000000 ] - [ -0.0000720600000000, -0.0002107700000000, -0.0000588700000000 ] - [ -0.0002184800000000, -0.0010870400000000, -0.0000918700000000 ] - [ 0.0003926600000000, -0.0012604200000000, -0.0004230000000000 ] - [ 0.0000522800000000, -0.0007311000000000, -0.0001005200000000 ] - [ 0.0010044300000000, -0.0011409500000000, 0.0000405300000000 ] - [ -0.0010086300000000, 0.0007657800000000, 0.0003338300000000 ] - [ 0.0006991600000000, 0.0005505500000000, 0.0000638600000000 ] - [ -0.0010643100000000, -0.0008607200000000, 0.0001656300000000 ] - [ -0.0009417900000000, -0.0012636300000000, -0.0001972600000000 ] - [ 0.0007896400000000, -0.0000320400000000, -0.0002862100000000 ] - [ 0.0005752700000000, 0.0012053700000000, -0.0001236600000000 ] - [ 0.0006258900000000, 0.0001358300000000, -0.0002097400000000 ] - [ 0.0001375200000000, 0.0001994800000000, -0.0000695000000000 ] - [ -0.0003193200000000, 0.0003209100000000, 0.0000146700000000 ] - [ -0.0002328300000000, -0.0008089500000000, 0.0003724500000000 ] - [ -0.0004519500000000, -0.0013773600000000, -0.0004864500000000 ] - [ -0.0000544600000000, 0.0011441900000000, 0.0001388100000000 ] - [ -0.0004422600000000, 0.0002355900000000, 0.0000848900000000 ] - [ -0.0002028900000000, 0.0001781300000000, 0.0001890200000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009052600000000, -0.0024588300000000, -0.0005420200000000 ] - [ 0.0001943400000000, 0.0000068100000000, 0.0000512900000000 ] - [ 0.0010312800000000, 0.0000861500000000, 0.0004274900000000 ] - [ 0.0000295500000000, 0.0001449000000000, 0.0002322600000000 ] - [ 0.0008423300000000, -0.0001343500000000, -0.0002963000000000 ] - [ 0.0002685600000000, -0.0000329800000000, 0.0002040900000000 ] - [ -0.0000294600000000, 0.0000448000000000, 0.0000449000000000 ] - [ -0.0011105200000000, 0.0016610900000000, -0.0002495600000000 ] - [ -0.0007859700000000, 0.0012371700000000, 0.0007131000000000 ] - [ -0.0000673700000000, -0.0002276300000000, 0.0003931300000000 ] - [ 0.0001754100000000, -0.0000341000000000, 0.0000218100000000 ] - [ -0.0008888000000000, -0.0026861300000000, -0.0005444800000000 ] - [ 0.0001912000000000, 0.0000152600000000, 0.0000723000000000 ] - [ 0.0000119700000000, -0.0001908600000000, 0.0000547700000000 ] - [ -0.0001297700000000, 0.0000969500000000, 0.0002454000000000 ] - [ -0.0000400700000000, -0.0000459100000000, 0.0002207200000000 ] - [ 0.0001632400000000, 0.0001678500000000, 0.0001582600000000 ] - [ -0.0000329300000000, -0.0000604200000000, 0.0001509200000000 ] - [ -0.0000336900000000, 0.0002247900000000, -0.0000011000000000 ] - [ 0.0000781500000000, 0.0001445900000000, 0.0000884000000000 ] - [ 0.0001591100000000, 0.0000097300000000, -0.0001901500000000 ] - [ -0.0000285600000000, -0.0000086900000000, 0.0000338500000000 ] - [ 0.0001870600000000, -0.0001725300000000, 0.0000384200000000 ] - [ -0.0001142300000000, 0.0002733500000000, 0.0000168500000000 ] - [ 0.0003012300000000, 0.0002216400000000, -0.0012830400000000 ] - [ -0.0002886200000000, 0.0009449700000000, 0.0005549400000000 ] - [ 0.0011868600000000, -0.0005342800000000, 0.0000459400000000 ] - [ 0.0001592000000000, 0.0000379400000000, -0.0007376000000000 ] - [ 0.0001753200000000, -0.0001685700000000, 0.0003898400000000 ] - [ 0.0004392300000000, -0.0006696600000000, -0.0001388900000000 ] - [ -0.0005500100000000, -0.0000303800000000, -0.0000568300000000 ] - [ -0.0000065900000000, -0.0001484900000000, 0.0004140000000000 ] - [ 0.0001545300000000, 0.0001692600000000, 0.0003782400000000 ] - [ -0.0019907100000000, -0.0020100600000000, -0.0135670300000000 ] - [ 0.0005807700000000, 0.0006546800000000, 0.0000993300000000 ] - [ -0.0004806500000000, 0.0004946800000000, -0.0001726800000000 ] - [ 0.0007330400000000, 0.0015332500000000, 0.0007242300000000 ] - [ -0.0004903900000000, 0.0004080500000000, -0.0000915700000000 ] - [ 0.0002525400000000, -0.0015664700000000, 0.0000767500000000 ] - [ 0.0003523400000000, 0.0000000400000000, -0.0000428400000000 ] - [ 0.0000520500000000, 0.0000579900000000, -0.0000552800000000 ] - [ -0.0004538800000000, -0.0004959700000000, -0.0002197000000000 ] - [ 0.0001774300000000, 0.0003281500000000, 0.0003838200000000 ] - [ 0.0012932500000000, 0.0002356400000000, -0.0000862900000000 ] - [ -0.0141906600000000, 0.0032266400000000, 0.0203683800000000 ] - [ 0.0001740200000000, 0.0008635200000000, -0.0002274600000000 ] - [ -0.0013249700000000, -0.0030096800000000, 0.0037608500000000 ] - [ 0.0000980600000000, -0.0006359400000000, 0.0000530200000000 ] - [ 0.0007595500000000, 0.0013816900000000, -0.0015954800000000 ] - [ 0.0006010700000000, 0.0009701100000000, -0.0003183500000000 ] - [ 0.0000089900000000, 0.0006149200000000, -0.0006363500000000 ] - [ 0.0005315500000000, -0.0008098000000000, 0.0003346200000000 ] - [ 0.0005905500000000, -0.0003795600000000, 0.0002162000000000 ] - [ 0.0004129300000000, -0.0005948700000000, 0.0000387300000000 ] - [ -0.0004671700000000, -0.0001017600000000, -0.0016260800000000 ] - [ 0.0000445600000000, -0.0004484100000000, -0.0008852600000000 ] - [ 0.0002427000000000, -0.0005238300000000, -0.0001691800000000 ] - [ 0.0008249400000000, 0.0007404900000000, 0.0002437200000000 ] - [ 0.0001589500000000, -0.0001557800000000, 0.0001525200000000 ] - [ -0.0024342200000000, -0.0022395300000000, -0.0104421200000000 ] - [ -0.0005933000000000, 0.0000379200000000, -0.0006290000000000 ] - [ -0.0002254400000000, -0.0000167400000000, -0.0005242500000000 ] - [ 0.0012082600000000, -0.0003767000000000, -0.0002376100000000 ] - [ -0.0000167900000000, -0.0004344800000000, -0.0006266800000000 ] - [ 0.0005114600000000, -0.0016457400000000, 0.0001442400000000 ] - [ 0.0002517400000000, 0.0001773600000000, 0.0001221700000000 ] - [ -0.0804495300000000, -0.0353804500000000, 0.0840235200000000 ] - [ -0.0001332100000000, 0.0013227100000000, 0.0004434400000000 ] - [ 0.0010633200000000, 0.0006268200000000, -0.0007918500000000 ] - [ -0.0000024000000000, -0.0000675600000000, -0.0002204600000000 ] - [ -0.0006762100000000, -0.0000246200000000, 0.0003259100000000 ] - [ 0.0005986500000000, 0.0004442800000000, 0.0001717500000000 ] - [ 0.0000802600000000, 0.0001683400000000, 0.0000500500000000 ] - [ 0.0004568400000000, 0.0002117700000000, 0.0001838100000000 ] - [ 0.0003250100000000, -0.0002200200000000, 0.0000737300000000 ] - [ -0.0004045500000000, 0.0003184200000000, 0.0000703100000000 ] - [ -0.0001611700000000, 0.0000940200000000, 0.0000418600000000 ] - [ -0.0006146100000000, -0.0009470400000000, -0.0000576300000000 ] - [ -0.0082947400000000, 0.0024792400000000, -0.0053842400000000 ] - [ 0.1282790400000000, 0.0438450000000000, -0.1198235700000000 ] - [ -0.0004733300000000, -0.0000197800000000, -0.0000318100000000 ] - [ -0.0005567600000000, 0.0003734700000000, 0.0001049600000000 ] - [ -0.0001398700000000, -0.0009514500000000, -0.0010209000000000 ] - [ -0.0006374500000000, 0.0005513500000000, -0.0004088100000000 ] - [ -0.0000251100000000, -0.0003310000000000, 0.0000978700000000 ] - [ -0.0002963000000000, 0.0006083100000000, -0.0000370500000000 ] - [ 0.0008718600000000, 0.0000029100000000, 0.0001683400000000 ] - [ -0.0001658000000000, 0.0002250700000000, -0.0002581600000000 ] - [ -0.0002977700000000, 0.0005663000000000, -0.0005337800000000 ] - [ 0.0014968400000000, -0.0000769500000000, -0.0001261100000000 ] - [ -0.0002335300000000, -0.0001227700000000, 0.0000596200000000 ] - [ 0.0001414500000000, -0.0001619600000000, 0.0000250100000000 ] - [ 0.0000635600000000, 0.0001351300000000, -0.0000504800000000 ] - [ -0.0001086400000000, -0.0000038500000000, 0.0000001500000000 ] - [ 0.0000258100000000, 0.0000934600000000, 0.0007807800000000 ] - [ -0.0002739100000000, -0.0001535500000000, -0.0000746100000000 ] - [ -0.0003590900000000, 0.0001391900000000, -0.0001888600000000 ] - [ -0.0004543800000000, -0.0005239100000000, -0.0001291000000000 ] - [ -0.0003108200000000, -0.0004721200000000, 0.0004900900000000 ] - [ -0.0001180200000000, -0.0004777900000000, -0.0000418900000000 ] - [ -0.0000106300000000, 0.0004623200000000, -0.0000745100000000 ] - [ 0.0005447100000000, -0.0002407300000000, 0.0005866600000000 ] - [ -0.0001226500000000, -0.0004495800000000, 0.0000943100000000 ] - [ -0.0003981500000000, -0.0000965100000000, 0.0001000900000000 ] - [ -0.0001583700000000, -0.0005919900000000, -0.0063491700000000 ] - [ 0.0003642500000000, -0.0002369900000000, 0.0001377400000000 ] - [ 0.0004627500000000, -0.0003133900000000, 0.0025907500000000 ] - [ -0.0005918600000000, 0.0014706200000000, 0.0022416600000000 ] - [ -0.0004171700000000, -0.0004228100000000, 0.0000258700000000 ] - [ 0.0024420900000000, 0.0011564600000000, -0.0035620500000000 ] - [ 0.0001983100000000, -0.0001947900000000, -0.0001157700000000 ] - [ 0.0003613400000000, -0.0003460600000000, -0.0000920200000000 ] - [ -0.0004949000000000, -0.0007972300000000, 0.0002039200000000 ] - [ 0.0002212700000000, -0.0003735000000000, 0.0001663000000000 ] - [ -0.0012211300000000, -0.0007854800000000, 0.0030214900000000 ] - [ -0.0006540300000000, 0.0000607800000000, 0.0001366600000000 ] - [ 0.0001963300000000, -0.0001080200000000, -0.0040466700000000 ] - [ -0.0004188400000000, 0.0001007700000000, -0.0000743200000000 ] - [ 0.0009622800000000, 0.0009070700000000, -0.0010294400000000 ] - [ -0.0147696600000000, -0.0099249500000000, 0.0308180400000000 ] - [ 0.0000099100000000, -0.0000808100000000, -0.0001682000000000 ] - [ 0.0001644600000000, 0.0003175300000000, 0.0003621700000000 ] - [ -0.0004301700000000, 0.0001900300000000, 0.0000076500000000 ] - [ 0.0006087800000000, 0.0003737800000000, -0.0003284300000000 ] - [ -0.0000838100000000, -0.0002044300000000, 0.0008072800000000 ] - [ -0.0000067400000000, -0.0001522500000000, -0.0001094100000000 ] - [ -0.0002684400000000, -0.0003975900000000, -0.0000112900000000 ] - [ -0.0000680700000000, -0.0001830300000000, -0.0000096300000000 ] - [ -0.0009833900000000, 0.0010909800000000, -0.0002634400000000 ] - [ 0.0000705400000000, 0.0002532000000000, 0.0001024900000000 ] - [ 0.0000584800000000, -0.0007560900000000, -0.0001651000000000 ] - [ 0.0002948300000000, -0.0002069400000000, -0.0002094600000000 ] - [ 0.0002203900000000, 0.0000274400000000, 0.0009837400000000 ] - [ -0.0005669500000000, -0.0000211700000000, -0.0000844300000000 ] - [ 0.0000366600000000, 0.0002182500000000, 0.0000176300000000 ] - [ 0.0000908000000000, -0.0000797400000000, -0.0000297300000000 ] - [ -0.0121650500000000, 0.0012023100000000, 0.0112090800000000 ] - [ -0.0000158700000000, -0.0001742000000000, 0.0000238900000000 ] - [ -0.0000573100000000, 0.0003678000000000, 0.0007443900000000 ] - [ -0.0001808500000000, 0.0005771500000000, 0.0004891700000000 ] - [ -0.0002310600000000, 0.0000790000000000, -0.0001956400000000 ] - [ 0.0030375400000000, 0.0009838700000000, 0.0063916200000000 ] - [ -0.0003333600000000, -0.0000637900000000, 0.0001008100000000 ] - [ -0.0006062200000000, 0.0000306400000000, -0.0000592100000000 ] - [ -0.0000136200000000, -0.0001053800000000, -0.0001981200000000 ] - [ 0.0005937600000000, 0.0002217900000000, -0.0000739700000000 ] - [ -0.0001953900000000, 0.0003470000000000, 0.0000925700000000 ] - [ -0.0001754200000000, -0.0001853800000000, -0.0002369100000000 ] - [ -0.0004195500000000, -0.0001216000000000, 0.0000465700000000 ] - [ 0.0000913600000000, -0.0001765000000000, -0.0000775000000000 ] - [ -0.0002892600000000, -0.0000328300000000, -0.0000824400000000 ] - [ 0.0000046200000000, -0.0000869400000000, -0.0001142700000000 ] - [ 0.0006635100000000, 0.0007261200000000, 0.0002862400000000 ] - [ -0.0001321800000000, 0.0000263400000000, -0.0002125700000000 ] - [ -0.0000762500000000, -0.0004645500000000, 0.0002732200000000 ] - [ -0.0002496400000000, 0.0002835500000000, -0.0002259400000000 ] - [ 0.0002777900000000, -0.0001557100000000, -0.0002645200000000 ] - [ 0.0005424000000000, -0.0000991300000000, -0.0004356900000000 ] - [ -0.0005383000000000, 0.0004442800000000, -0.0000050700000000 ] - [ 0.0003934900000000, 0.0001895300000000, -0.0002452600000000 ] - [ -0.0003897000000000, -0.0001259700000000, -0.0000576700000000 ] - [ -0.0006009700000000, -0.0007176700000000, 0.0004507200000000 ] - [ -0.0003314800000000, 0.0003551800000000, -0.0000013300000000 ] - [ 0.0000173800000000, 0.0003607900000000, 0.0008178400000000 ] - [ -0.0000320300000000, -0.0010802200000000, -0.0004428700000000 ] - [ 0.0004231700000000, 0.0014305000000000, 0.0026670700000000 ] - [ -0.0001042900000000, 0.0002474100000000, 0.0000934500000000 ] - [ -0.0006951300000000, -0.0003828100000000, 0.0001527700000000 ]- atom: 80 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008572800000000, 0.0024843400000000, 0.0007836900000000 ] - [ -0.0001951700000000, -0.0000072400000000, 0.0000718100000000 ] - [ -0.0009184000000000, 0.0000607500000000, 0.0000343600000000 ] - [ -0.0001410500000000, -0.0002925100000000, 0.0002251100000000 ] - [ -0.0011368900000000, -0.0000698500000000, 0.0003233700000000 ] - [ -0.0000839300000000, 0.0000109200000000, 0.0002549600000000 ] - [ 0.0000298800000000, -0.0000437100000000, 0.0000615400000000 ] - [ 0.0011633600000000, -0.0017023100000000, 0.0004654400000000 ] - [ 0.0007808100000000, -0.0013313100000000, -0.0005173200000000 ] - [ 0.0001384200000000, 0.0000570200000000, 0.0000732100000000 ] - [ 0.0001169000000000, 0.0002405100000000, 0.0000124800000000 ] - [ 0.0008951900000000, 0.0026642600000000, 0.0005512900000000 ] - [ -0.0001909900000000, -0.0000144700000000, 0.0000518100000000 ] - [ -0.0000639700000000, 0.0001681900000000, 0.0001702900000000 ] - [ -0.0000554400000000, -0.0000736100000000, 0.0002144100000000 ] - [ -0.0000335100000000, 0.0002157200000000, 0.0002371100000000 ] - [ -0.0001673700000000, -0.0002239200000000, 0.0000687500000000 ] - [ 0.0000826400000000, 0.0000836800000000, 0.0000763200000000 ] - [ 0.0000009200000000, 0.0001339600000000, 0.0000344800000000 ] - [ -0.0000721200000000, -0.0000891600000000, 0.0001366500000000 ] - [ 0.0001654700000000, -0.0001624400000000, 0.0002190100000000 ] - [ 0.0000276000000000, 0.0000077500000000, 0.0000195600000000 ] - [ -0.0001544900000000, -0.0001852700000000, -0.0000040800000000 ] - [ -0.0002118600000000, -0.0001204000000000, 0.0000200200000000 ] - [ -0.0004268900000000, -0.0014949000000000, 0.0007739700000000 ] - [ 0.0000264500000000, -0.0005896800000000, -0.0005962900000000 ] - [ 0.0001150500000000, -0.0005632800000000, -0.0001534800000000 ] - [ 0.0010067100000000, 0.0005014900000000, 0.0002355700000000 ] - [ -0.0001970700000000, 0.0002144200000000, 0.0004136300000000 ] - [ -0.0007495400000000, -0.0009932400000000, 0.0000281000000000 ] - [ -0.0010498500000000, -0.0005381600000000, -0.0000464800000000 ] - [ 0.0000225200000000, 0.0001052100000000, 0.0003875000000000 ] - [ -0.0002076800000000, -0.0001582300000000, 0.0004237600000000 ] - [ 0.0009268200000000, 0.0027788000000000, 0.0130918500000000 ] - [ -0.0002799700000000, 0.0010091800000000, -0.0002043300000000 ] - [ 0.0000491100000000, -0.0005623100000000, 0.0001283000000000 ] - [ -0.0006887500000000, -0.0014651600000000, 0.0000484900000000 ] - [ -0.0008121000000000, 0.0006901700000000, -0.0000180100000000 ] - [ -0.0002683800000000, 0.0015166400000000, 0.0007291300000000 ] - [ -0.0000856700000000, -0.0003566600000000, -0.0000039800000000 ] - [ 0.0001248500000000, 0.0003591300000000, 0.0000176500000000 ] - [ -0.0007161600000000, -0.0000357000000000, -0.0002788300000000 ] - [ -0.0001259600000000, -0.0003377900000000, 0.0004198800000000 ] - [ 0.0003066500000000, 0.0003343300000000, -0.0000184800000000 ] - [ 0.0151290200000000, -0.0033442900000000, -0.0206394000000000 ] - [ -0.0000362700000000, 0.0004165600000000, -0.0002728500000000 ] - [ 0.0011515100000000, 0.0025702200000000, -0.0037678700000000 ] - [ 0.0009549900000000, -0.0001153300000000, -0.0005481700000000 ] - [ -0.0005022700000000, -0.0024394800000000, 0.0004506200000000 ] - [ 0.0010702200000000, -0.0005843200000000, 0.0009919400000000 ] - [ -0.0002262900000000, 0.0000145200000000, -0.0006377300000000 ] - [ 0.0006378300000000, -0.0004317600000000, 0.0003337200000000 ] - [ 0.0000694400000000, -0.0001760800000000, 0.0001425900000000 ] - [ -0.0005737000000000, -0.0002328700000000, 0.0003125100000000 ] - [ -0.0007251200000000, 0.0013551200000000, 0.0023013100000000 ] - [ 0.0006726400000000, 0.0003289900000000, -0.0003784200000000 ] - [ -0.0005383500000000, 0.0015877600000000, -0.0009412000000000 ] - [ -0.0006579900000000, 0.0000908900000000, 0.0001029900000000 ] - [ -0.0009389500000000, -0.0001337800000000, 0.0001950400000000 ] - [ 0.0019728600000000, 0.0006116200000000, 0.0111101200000000 ] - [ -0.0004646000000000, 0.0002451200000000, -0.0005102600000000 ] - [ -0.0005167300000000, -0.0007525100000000, -0.0006109400000000 ] - [ -0.0001507100000000, 0.0000972900000000, -0.0008971400000000 ] - [ -0.0004004800000000, -0.0001348200000000, -0.0006435900000000 ] - [ -0.0002941100000000, 0.0009766900000000, -0.0014225900000000 ] - [ -0.0009143300000000, 0.0003800900000000, 0.0002383600000000 ] - [ 0.0827213000000000, 0.0367521200000000, -0.0858951800000000 ] - [ 0.0006308000000000, 0.0003110300000000, 0.0002230400000000 ] - [ -0.0003168100000000, 0.0001434000000000, -0.0003473100000000 ] - [ 0.0004165600000000, 0.0006368900000000, -0.0010565500000000 ] - [ -0.0009879700000000, -0.0003537900000000, 0.0003470900000000 ] - [ 0.0001788000000000, -0.0001550900000000, 0.0001768800000000 ] - [ 0.0005357900000000, 0.0001279600000000, 0.0001273600000000 ] - [ 0.0002724600000000, 0.0001369300000000, 0.0000787500000000 ] - [ 0.0005368700000000, 0.0004778100000000, 0.0001900700000000 ] - [ -0.0003793400000000, 0.0001397800000000, 0.0000086400000000 ] - [ 0.0003307800000000, -0.0002494100000000, -0.0000851400000000 ] - [ 0.0008026600000000, 0.0012342500000000, -0.0000405000000000 ] - [ 0.0083579500000000, -0.0019854200000000, 0.0051125800000000 ] - [ -0.1330277800000000, -0.0449657000000000, 0.1209565700000000 ] - [ -0.0002387500000000, 0.0002706600000000, -0.0000206000000000 ] - [ -0.0000074100000000, 0.0000127900000000, 0.0000690100000000 ] - [ 0.0007531000000000, -0.0000176900000000, 0.0010358200000000 ] - [ -0.0007596800000000, 0.0003431500000000, -0.0003055500000000 ] - [ 0.0005903300000000, -0.0000561000000000, 0.0000820300000000 ] - [ 0.0003027700000000, 0.0002980600000000, 0.0001131200000000 ] - [ 0.0002209800000000, 0.0000366800000000, -0.0001704400000000 ] - [ 0.0000102200000000, 0.0000765700000000, 0.0001349300000000 ] - [ 0.0001155400000000, -0.0008500700000000, 0.0003977100000000 ] - [ -0.0013958900000000, 0.0004420900000000, -0.0003160000000000 ] - [ 0.0002850700000000, 0.0003420800000000, -0.0001009500000000 ] - [ 0.0000805600000000, -0.0003348100000000, 0.0000620900000000 ] - [ 0.0004724600000000, 0.0000432200000000, -0.0000843000000000 ] - [ 0.0003301000000000, 0.0000653200000000, -0.0000441700000000 ] - [ 0.0001298100000000, -0.0000656400000000, 0.0008362900000000 ] - [ 0.0002250200000000, -0.0000667600000000, 0.0000334900000000 ] - [ -0.0000264500000000, 0.0001567700000000, -0.0001420100000000 ] - [ 0.0008664600000000, 0.0001410100000000, -0.0000024600000000 ] - [ -0.0011619000000000, -0.0002932700000000, -0.0012012400000000 ] - [ 0.0000048300000000, -0.0000765700000000, -0.0000981300000000 ] - [ -0.0001050900000000, 0.0002541800000000, 0.0000326300000000 ] - [ -0.0003312700000000, 0.0011222300000000, -0.0003186500000000 ] - [ 0.0000719400000000, -0.0002327800000000, 0.0000801100000000 ] - [ -0.0002168600000000, -0.0002002400000000, 0.0000791500000000 ] - [ -0.0005089700000000, 0.0000216700000000, 0.0063534000000000 ] - [ 0.0002906300000000, -0.0003813900000000, 0.0001253600000000 ] - [ -0.0003927800000000, 0.0019619000000000, -0.0033010900000000 ] - [ 0.0002689600000000, -0.0019101000000000, -0.0021536500000000 ] - [ -0.0003813000000000, -0.0000251100000000, 0.0000566400000000 ] - [ -0.0028628700000000, -0.0013225900000000, 0.0032378600000000 ] - [ 0.0002573200000000, 0.0003898200000000, -0.0002210500000000 ] - [ -0.0000516800000000, 0.0007845800000000, 0.0001778600000000 ] - [ 0.0005101600000000, -0.0001102200000000, -0.0001245700000000 ] - [ 0.0003217000000000, 0.0003195700000000, -0.0000796800000000 ] - [ 0.0005775400000000, 0.0012444500000000, -0.0027813300000000 ] - [ -0.0000740800000000, -0.0004122800000000, 0.0001250600000000 ] - [ -0.0003457200000000, -0.0008227800000000, 0.0043073400000000 ] - [ 0.0002489200000000, 0.0000534800000000, 0.0000325600000000 ] - [ -0.0004258800000000, 0.0000805400000000, 0.0010273000000000 ] - [ 0.0151572400000000, 0.0100379400000000, -0.0296819900000000 ] - [ 0.0003343500000000, 0.0000164700000000, -0.0000980700000000 ] - [ -0.0002279600000000, -0.0004357000000000, -0.0003470900000000 ] - [ 0.0003363600000000, 0.0001031400000000, -0.0002914200000000 ] - [ 0.0008615600000000, 0.0003839100000000, -0.0003837900000000 ] - [ 0.0000282600000000, 0.0000540800000000, 0.0008065500000000 ] - [ 0.0007916400000000, -0.0003067000000000, 0.0001877400000000 ] - [ -0.0002658600000000, -0.0005839300000000, 0.0000125500000000 ] - [ 0.0001874100000000, -0.0005345500000000, -0.0000333000000000 ] - [ 0.0003262900000000, -0.0004713200000000, 0.0005223600000000 ] - [ 0.0007263200000000, 0.0001951700000000, -0.0000194500000000 ] - [ 0.0002170900000000, 0.0004888100000000, -0.0002705400000000 ] - [ 0.0000692700000000, 0.0003161100000000, -0.0002150600000000 ] - [ -0.0001686400000000, 0.0001278200000000, 0.0006411300000000 ] - [ 0.0003453700000000, -0.0000410900000000, 0.0000412400000000 ] - [ 0.0000318000000000, -0.0001074400000000, -0.0000022800000000 ] - [ 0.0000668700000000, -0.0002235600000000, -0.0000897300000000 ] - [ 0.0116644200000000, -0.0013041500000000, -0.0115904200000000 ] - [ 0.0000893500000000, 0.0000492700000000, -0.0000080900000000 ] - [ -0.0000955900000000, -0.0003977900000000, 0.0008772900000000 ] - [ -0.0000314500000000, -0.0000821600000000, -0.0004014300000000 ] - [ -0.0000479700000000, 0.0001836200000000, -0.0002362600000000 ] - [ -0.0029278500000000, -0.0009809500000000, -0.0063683500000000 ] - [ -0.0000057000000000, 0.0000785700000000, -0.0002203800000000 ] - [ 0.0002631500000000, 0.0000328600000000, -0.0002072300000000 ] - [ -0.0000761100000000, -0.0002642800000000, -0.0002321900000000 ] - [ 0.0000747500000000, -0.0006749900000000, 0.0003309000000000 ] - [ 0.0002470300000000, 0.0003352800000000, 0.0000836800000000 ] - [ 0.0003851800000000, 0.0004357600000000, -0.0000344400000000 ] - [ -0.0001244500000000, 0.0001714400000000, 0.0000388800000000 ] - [ 0.0002466600000000, 0.0001608400000000, -0.0000458500000000 ] - [ -0.0002446000000000, -0.0001461600000000, -0.0000522500000000 ] - [ -0.0000676000000000, -0.0004037400000000, -0.0002227300000000 ] - [ -0.0000994200000000, -0.0002357100000000, -0.0003380200000000 ] - [ 0.0002297100000000, -0.0003216900000000, -0.0000716700000000 ] - [ -0.0000018500000000, 0.0005873500000000, -0.0002558600000000 ] - [ 0.0003643500000000, 0.0002706600000000, 0.0000852300000000 ] - [ -0.0004107300000000, 0.0001568300000000, 0.0002813900000000 ] - [ -0.0001569600000000, -0.0001974900000000, 0.0001055000000000 ] - [ 0.0001114200000000, -0.0000644900000000, -0.0001294400000000 ] - [ 0.0003228000000000, -0.0004317000000000, 0.0001905000000000 ] - [ 0.0001782100000000, -0.0001261300000000, -0.0002133200000000 ] - [ 0.0005649400000000, -0.0000866800000000, -0.0001902100000000 ] - [ -0.0002865800000000, 0.0006238000000000, 0.0000223800000000 ] - [ -0.0001281700000000, -0.0002330500000000, 0.0008026800000000 ] - [ -0.0000507600000000, -0.0005773400000000, -0.0002711900000000 ] - [ 0.0009877900000000, -0.0023467200000000, -0.0033876800000000 ] - [ 0.0001343600000000, 0.0005559600000000, 0.0001662900000000 ] - [ -0.0001676800000000, 0.0001259000000000, 0.0001119800000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0001736800000000, -0.0008398200000000, -0.0000564500000000 ] - [ -0.0002195300000000, 0.0007437000000000, -0.0001222400000000 ] - [ 0.0002728600000000, 0.0000998500000000, 0.0002044100000000 ] - [ 0.0036776200000000, 0.0012576600000000, -0.0008560900000000 ] - [ -0.0001434900000000, -0.0000403000000000, 0.0000148300000000 ] - [ -0.0001921800000000, 0.0008634100000000, 0.0003303400000000 ] - [ -0.0018154800000000, -0.0005990600000000, 0.0016164800000000 ] - [ -0.0001795500000000, -0.0007723900000000, 0.0002446400000000 ] - [ -0.0003527600000000, -0.0009648600000000, 0.0002674200000000 ] - [ 0.0001500100000000, -0.0001199400000000, 0.0002047700000000 ] - [ -0.0007174300000000, 0.0000585400000000, 0.0000006700000000 ] - [ -0.0002211700000000, -0.0008185400000000, -0.0001933600000000 ] - [ -0.0002958100000000, 0.0008172000000000, 0.0002363400000000 ] - [ -0.0009700800000000, 0.0000479700000000, 0.0001726200000000 ] - [ -0.0017545900000000, 0.0003421700000000, 0.0009650800000000 ] - [ -0.0008269900000000, 0.0000060600000000, 0.0002317700000000 ] - [ 0.0035904000000000, 0.0003526800000000, 0.0002953600000000 ] - [ -0.0009892100000000, 0.0000139200000000, 0.0001167000000000 ] - [ -0.0019054500000000, 0.0005366700000000, -0.0015161500000000 ] - [ 0.0042651600000000, -0.0001643600000000, -0.0001311000000000 ] - [ 0.0002679000000000, -0.0001493700000000, 0.0000201900000000 ] - [ -0.0023461800000000, -0.0003990800000000, -0.0013764700000000 ] - [ -0.0001351900000000, 0.0007777500000000, -0.0002048500000000 ] - [ 0.0029891800000000, -0.0000962900000000, -0.0002704000000000 ] - [ 0.0019898700000000, -0.0039505800000000, -0.0011706100000000 ] - [ -0.0002880100000000, -0.0019201600000000, 0.0018290200000000 ] - [ 0.0005339800000000, 0.0004368100000000, -0.0000679000000000 ] - [ -0.0028090200000000, -0.0002684100000000, -0.0005160700000000 ] - [ -0.0010032500000000, 0.0012886100000000, 0.0003272300000000 ] - [ 0.0022735000000000, 0.0014562000000000, -0.0005264400000000 ] - [ -0.0008762700000000, 0.0025288000000000, 0.0014144400000000 ] - [ -0.0021045900000000, 0.0001110500000000, 0.0002471500000000 ] - [ 0.0019179900000000, 0.0011299500000000, 0.0005933300000000 ] - [ -0.0008191800000000, -0.0007201000000000, -0.0002226900000000 ] - [ -0.0004842800000000, 0.0015841200000000, 0.0000558000000000 ] - [ -0.0047227200000000, -0.0078442100000000, 0.0057989700000000 ] - [ 0.0011208900000000, -0.0013338000000000, 0.0005365700000000 ] - [ -0.0033557500000000, 0.0016162700000000, -0.0001348400000000 ] - [ -0.0010803400000000, -0.0010365500000000, 0.0003542500000000 ] - [ -0.0025361300000000, 0.0143364200000000, 0.0021704400000000 ] - [ -0.0027650900000000, -0.0000808000000000, 0.0000996700000000 ] - [ -0.0024560800000000, 0.0005655100000000, -0.0007510900000000 ] - [ 0.1264632900000000, -0.0287757500000000, -0.0389088400000000 ] - [ 0.0005853400000000, 0.0014253300000000, 0.0000072100000000 ] - [ 0.0001030500000000, -0.0009690100000000, -0.0000023800000000 ] - [ 0.0059103600000000, -0.0019726900000000, -0.0083888500000000 ] - [ -0.0011853500000000, -0.0009190800000000, 0.0000804500000000 ] - [ -0.0009653500000000, -0.0012144600000000, -0.0006608800000000 ] - [ 0.0031242800000000, -0.0029206000000000, -0.0001882600000000 ] - [ -0.0028163600000000, -0.0138338800000000, 0.0052077400000000 ] - [ 0.1899398700000000, 0.0272144600000000, 0.0651981100000000 ] - [ -0.0019741000000000, -0.0007013300000000, 0.0005291700000000 ] - [ -0.0013374500000000, 0.0004693000000000, -0.0000976600000000 ] - [ -0.0013067500000000, 0.0005497900000000, 0.0001013200000000 ] - [ -0.0016585600000000, -0.0005175900000000, 0.0002769600000000 ] - [ -0.0029909200000000, -0.0018300400000000, -0.0015104900000000 ] - [ -0.0008459400000000, -0.0005249600000000, -0.0006275400000000 ] - [ 0.0011340000000000, 0.0021608600000000, -0.0000068200000000 ] - [ -0.0003915800000000, 0.0008730100000000, 0.0002354800000000 ] - [ -0.0003911700000000, -0.0023311800000000, 0.0005529100000000 ] - [ -0.0035315500000000, 0.0004000600000000, -0.0007338300000000 ] - [ 0.0050995700000000, -0.0005385000000000, 0.0077190300000000 ] - [ -0.0007320600000000, 0.0008334400000000, -0.0006669700000000 ] - [ -0.0043479700000000, 0.0004920900000000, -0.0009769500000000 ] - [ 0.0020276600000000, -0.0018560800000000, -0.0010728000000000 ] - [ -0.0005207700000000, 0.0016661900000000, 0.0002200900000000 ] - [ -0.0006549500000000, -0.0010030700000000, -0.0005847500000000 ] - [ 0.0006285600000000, -0.0022116000000000, 0.0015635600000000 ] - [ 0.0029691800000000, 0.0038228000000000, 0.0000979500000000 ] - [ -0.0019806400000000, -0.0004567000000000, -0.0010383700000000 ] - [ -0.0004568400000000, 0.0019119700000000, 0.0024823700000000 ] - [ -0.0063556400000000, 0.0071475900000000, 0.0024645100000000 ] - [ 0.0003056800000000, -0.0003777600000000, 0.0000738200000000 ] - [ 0.0023449700000000, -0.0002442000000000, 0.0003445000000000 ] - [ -0.0004587500000000, 0.0013780700000000, -0.0010660600000000 ] - [ 0.0010222900000000, 0.0003463100000000, 0.0000171500000000 ] - [ 0.0012131500000000, -0.0012455500000000, -0.0002559800000000 ] - [ -0.0007486700000000, 0.0008722500000000, -0.0004237500000000 ] - [ 0.0001290500000000, 0.0007595600000000, -0.0002338600000000 ] - [ -0.0003122300000000, 0.0005634500000000, -0.0001118500000000 ] - [ -0.3999636900000000, 0.0013003000000000, -0.0356160300000000 ] - [ 0.0000914100000000, -0.0001458600000000, 0.0000221500000000 ] - [ -0.0005589600000000, 0.0011321200000000, -0.0005921700000000 ] - [ 0.0006396200000000, 0.0005012900000000, -0.0000259200000000 ] - [ -0.0003875300000000, -0.0010824700000000, 0.0004913700000000 ] - [ 0.0006219500000000, 0.0005410400000000, 0.0000618800000000 ] - [ 0.0041008000000000, 0.0018273700000000, -0.0000284800000000 ] - [ 0.0004180200000000, -0.0003340700000000, 0.0000449600000000 ] - [ 0.0003206200000000, 0.0003085800000000, 0.0000036500000000 ] - [ 0.0004847900000000, 0.0005483400000000, -0.0002726100000000 ] - [ -0.0000812400000000, -0.0041855900000000, 0.0002419500000000 ] - [ 0.0020681000000000, -0.0002335000000000, -0.0000594600000000 ] - [ 0.0004420200000000, -0.0008857500000000, 0.0000598400000000 ] - [ 0.0011374100000000, -0.0006980900000000, -0.0003813500000000 ] - [ 0.0013784500000000, -0.0003316500000000, 0.0014021200000000 ] - [ 0.0000482100000000, -0.0008184400000000, -0.0001025800000000 ] - [ 0.0034589200000000, -0.0025960700000000, 0.0007308200000000 ] - [ -0.0009776900000000, -0.0003828600000000, 0.0000346600000000 ] - [ 0.0027622600000000, 0.0028827500000000, 0.0002957200000000 ] - [ 0.0112377300000000, -0.0159899500000000, -0.0024347200000000 ] - [ 0.0010930700000000, 0.0001662900000000, 0.0001082300000000 ] - [ -0.0007838800000000, 0.0045022800000000, -0.0004690500000000 ] - [ 0.0015164100000000, -0.0020811000000000, -0.0021895300000000 ] - [ 0.0006396000000000, -0.0005404000000000, 0.0003374100000000 ] - [ -0.0002531700000000, 0.0005979500000000, 0.0000820000000000 ] - [ 0.0027709000000000, -0.0002894800000000, 0.0000658000000000 ] - [ 0.0000587900000000, 0.0023874800000000, -0.0004895700000000 ] - [ -0.0001950500000000, 0.0005613700000000, 0.0000856000000000 ] - [ -0.0003881800000000, -0.0016427000000000, -0.0015445300000000 ] - [ -0.0004232300000000, 0.0007883300000000, 0.0000220800000000 ] - [ 0.0135755300000000, 0.0201104500000000, 0.0047088900000000 ] - [ -0.0011446200000000, 0.0019443700000000, -0.0002804200000000 ] - [ -0.0021983400000000, -0.0004855300000000, -0.0000192100000000 ] - [ 0.0202578500000000, 0.0102626900000000, -0.0031528300000000 ] - [ -0.0005792200000000, 0.0012995600000000, 0.0001564200000000 ] - [ 0.0005803000000000, -0.0011663300000000, 0.0001345800000000 ] - [ 0.0000001500000000, 0.0002655100000000, 0.0000576700000000 ] - [ -0.0000582800000000, -0.0008198400000000, 0.0001308100000000 ] - [ 0.0011687000000000, 0.0014083100000000, 0.0002241400000000 ] - [ 0.0001391500000000, 0.0004824400000000, 0.0007744500000000 ] - [ 0.0038733400000000, -0.0015716300000000, 0.0004423500000000 ] - [ 0.0012335300000000, 0.0008764200000000, -0.0002844300000000 ] - [ -0.0001902600000000, -0.0008677400000000, -0.0002599700000000 ] - [ 0.0016641100000000, -0.0003015100000000, -0.0004391500000000 ] - [ 0.0035802600000000, 0.0002119900000000, 0.0221157800000000 ] - [ 0.0005281900000000, -0.0008251500000000, 0.0000356000000000 ] - [ 0.0019289700000000, -0.0003926200000000, -0.0000582300000000 ] - [ 0.0017049400000000, -0.0015830300000000, -0.0002660700000000 ] - [ 0.0006869500000000, 0.0002548400000000, 0.0001490200000000 ] - [ 0.0002874400000000, -0.0012007700000000, -0.0000958400000000 ] - [ 0.0012518300000000, 0.0022135800000000, -0.0036740100000000 ] - [ -0.0000948700000000, 0.0020321200000000, -0.0028651100000000 ] - [ -0.0007717800000000, 0.0011285200000000, 0.0014389200000000 ] - [ 0.0000660200000000, -0.0007003900000000, 0.0000342700000000 ] - [ 0.0011612100000000, 0.0001893000000000, 0.0001217700000000 ] - [ 0.0012342400000000, -0.0002197100000000, 0.0001051200000000 ] - [ -0.0002245700000000, 0.0004960700000000, -0.0002678400000000 ] - [ -0.0013141700000000, -0.0012491900000000, 0.0010530000000000 ] - [ 0.0010267000000000, 0.0002924900000000, 0.0011577500000000 ] - [ 0.0008114300000000, 0.0002561000000000, 0.0001185800000000 ] - [ 0.0004769100000000, -0.0023584000000000, -0.0030515200000000 ] - [ 0.0003861500000000, 0.0006900000000000, -0.0000094400000000 ] - [ -0.0011562500000000, -0.0008302800000000, -0.0005980400000000 ] - [ -0.0000733900000000, -0.0005470500000000, -0.0000941200000000 ] - [ 0.0011881200000000, -0.0000599500000000, -0.0004231900000000 ] - [ 0.0011889300000000, 0.0006267500000000, 0.0002202800000000 ] - [ 0.0000247200000000, -0.0002110400000000, 0.0000017400000000 ] - [ -0.0010123000000000, -0.0014475900000000, -0.0005362300000000 ] - [ -0.0013027200000000, -0.0017818000000000, -0.0003973500000000 ] - [ 0.0020179300000000, -0.0025518500000000, -0.0176276300000000 ] - [ 0.0008244000000000, -0.0002685700000000, -0.0002059000000000 ] - [ 0.0015387600000000, -0.0002215400000000, -0.0001369200000000 ] - [ 0.0015379600000000, 0.0016955900000000, -0.0000799600000000 ] - [ 0.0009254700000000, -0.0008641200000000, 0.0001614800000000 ] - [ -0.0016021100000000, 0.0051323100000000, -0.0000933900000000 ] - [ -0.0000854200000000, -0.0003557700000000, -0.0000965100000000 ] - [ 0.0008010300000000, 0.0009711400000000, -0.0003383300000000 ] - [ 0.0016637100000000, 0.0005760300000000, -0.0003457300000000 ] - [ 0.0007234900000000, 0.0002308300000000, -0.0000196000000000 ] - [ -0.0013421800000000, 0.0000210300000000, 0.0001944800000000 ] - [ -0.0000269100000000, -0.0007709300000000, -0.0000378600000000 ] - [ -0.0023484100000000, -0.0004500500000000, 0.0002060000000000 ] - [ 0.0302218500000000, -0.0105175700000000, -0.0001640000000000 ] - [ 0.0009381000000000, 0.0008151900000000, 0.0012970500000000 ] - [ -0.0002118700000000, 0.0011380800000000, 0.0012881400000000 ] - [ 0.0009998200000000, 0.0002789800000000, -0.0003199500000000 ] - [ -0.0066289700000000, 0.0006819700000000, 0.0001414500000000 ] - [ -0.0026745500000000, -0.0050654100000000, 0.0000375900000000 ]- atom: 81 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0001197900000000, 0.0008720400000000, 0.0002823200000000 ] - [ 0.0002189900000000, -0.0007446700000000, 0.0002415100000000 ] - [ -0.0001565200000000, 0.0000539400000000, 0.0002545500000000 ] - [ -0.0037829900000000, -0.0014263200000000, 0.0013213100000000 ] - [ -0.0001547800000000, -0.0001582600000000, 0.0000191500000000 ] - [ 0.0003837500000000, -0.0008885100000000, 0.0001275000000000 ] - [ 0.0018183400000000, 0.0006055000000000, -0.0015140300000000 ] - [ 0.0002327400000000, 0.0007400800000000, -0.0000189900000000 ] - [ 0.0003536500000000, 0.0009622600000000, -0.0001530700000000 ] - [ -0.0000747900000000, -0.0000557000000000, 0.0002543600000000 ] - [ 0.0010156400000000, 0.0001404700000000, 0.0000335500000000 ] - [ 0.0002245600000000, 0.0008182800000000, 0.0002490800000000 ] - [ 0.0002973300000000, -0.0008169900000000, -0.0001157600000000 ] - [ 0.0009165900000000, -0.0000782100000000, 0.0000524000000000 ] - [ 0.0015647300000000, -0.0003168700000000, -0.0005010900000000 ] - [ 0.0007523100000000, 0.0001700300000000, 0.0002278200000000 ] - [ -0.0035904700000000, -0.0003949600000000, -0.0000824000000000 ] - [ 0.0010436100000000, 0.0000144400000000, 0.0001091200000000 ] - [ 0.0018757700000000, -0.0001746400000000, 0.0015408400000000 ] - [ -0.0042640900000000, 0.0001977000000000, 0.0003244100000000 ] - [ 0.0000543300000000, -0.0000099200000000, 0.0000154400000000 ] - [ 0.0023446500000000, 0.0004022000000000, 0.0014444000000000 ] - [ 0.0001568200000000, -0.0011377000000000, 0.0002404800000000 ] - [ -0.0033126300000000, 0.0002461400000000, 0.0003031500000000 ] - [ -0.0021336300000000, 0.0026718100000000, 0.0006649300000000 ] - [ 0.0000311200000000, 0.0022710600000000, -0.0018702800000000 ] - [ 0.0007593500000000, -0.0015527800000000, -0.0000409100000000 ] - [ 0.0039808000000000, 0.0007895700000000, 0.0000154800000000 ] - [ 0.0009843300000000, -0.0012529100000000, 0.0004763000000000 ] - [ -0.0025967200000000, -0.0031209500000000, 0.0004142900000000 ] - [ -0.0007268800000000, -0.0030908600000000, -0.0015148000000000 ] - [ 0.0021268100000000, -0.0001508600000000, 0.0005553500000000 ] - [ -0.0019721600000000, -0.0011205500000000, 0.0002108900000000 ] - [ -0.0002259600000000, 0.0014866500000000, -0.0002756600000000 ] - [ 0.0008106100000000, 0.0000800300000000, -0.0001640900000000 ] - [ 0.0042890700000000, 0.0077699100000000, -0.0058417600000000 ] - [ -0.0011075700000000, 0.0013723400000000, 0.0002631100000000 ] - [ 0.0020629100000000, -0.0005009200000000, 0.0000247200000000 ] - [ 0.0010661000000000, 0.0009955300000000, 0.0004456400000000 ] - [ 0.0027950000000000, -0.0147599100000000, -0.0022304000000000 ] - [ 0.0029355700000000, 0.0005009200000000, -0.0001382000000000 ] - [ 0.0012760600000000, -0.0010898300000000, 0.0002550600000000 ] - [ -0.1192057100000000, 0.0264213100000000, 0.0365023000000000 ] - [ 0.0010240100000000, -0.0008701200000000, -0.0001111600000000 ] - [ 0.0003253500000000, 0.0010437700000000, -0.0000400500000000 ] - [ -0.0057707300000000, 0.0032447800000000, 0.0078577500000000 ] - [ 0.0010207000000000, 0.0005023100000000, -0.0001186200000000 ] - [ 0.0020086100000000, 0.0004483500000000, 0.0001642900000000 ] - [ -0.0028619800000000, 0.0018841300000000, -0.0009489800000000 ] - [ 0.0044773400000000, 0.0141360700000000, -0.0045046600000000 ] - [ -0.2012633700000000, -0.0290027300000000, -0.0723252400000000 ] - [ 0.0031332800000000, -0.0005393500000000, 0.0001386500000000 ] - [ 0.0020132800000000, -0.0010087700000000, 0.0004592200000000 ] - [ 0.0011658200000000, -0.0013787600000000, 0.0002510600000000 ] - [ 0.0005011500000000, 0.0017565000000000, 0.0003938900000000 ] - [ 0.0037003600000000, 0.0017036400000000, 0.0002433900000000 ] - [ 0.0005811800000000, 0.0015607800000000, -0.0005085100000000 ] - [ -0.0009924000000000, -0.0013371700000000, 0.0003603000000000 ] - [ -0.0003800400000000, -0.0011791400000000, 0.0001150700000000 ] - [ -0.0001128000000000, 0.0007172300000000, 0.0001190600000000 ] - [ 0.0024784900000000, -0.0001118600000000, -0.0004060700000000 ] - [ -0.0058381900000000, -0.0002261800000000, -0.0088923200000000 ] - [ 0.0017854600000000, -0.0011213600000000, -0.0004701100000000 ] - [ 0.0039388600000000, -0.0010538500000000, -0.0002902600000000 ] - [ -0.0018164200000000, 0.0012319300000000, -0.0001997500000000 ] - [ -0.0001515400000000, -0.0011278900000000, 0.0001423000000000 ] - [ -0.0000545900000000, 0.0011309600000000, -0.0006824100000000 ] - [ -0.0001307200000000, 0.0038209900000000, -0.0008925300000000 ] - [ -0.0022273400000000, -0.0030531200000000, -0.0012360200000000 ] - [ 0.0024067300000000, 0.0010150600000000, -0.0002347400000000 ] - [ -0.0012210100000000, -0.0022702300000000, -0.0018232300000000 ] - [ 0.0071226600000000, -0.0068448000000000, -0.0021120200000000 ] - [ 0.0003076000000000, 0.0006828100000000, 0.0001007300000000 ] - [ -0.0016213600000000, 0.0005974200000000, -0.0000883200000000 ] - [ 0.0013098200000000, -0.0011188100000000, 0.0013263000000000 ] - [ -0.0018092900000000, 0.0000986500000000, 0.0000526700000000 ] - [ -0.0010544500000000, 0.0010906500000000, 0.0002122400000000 ] - [ 0.0009370900000000, -0.0005896100000000, 0.0003053800000000 ] - [ -0.0000653600000000, -0.0002714300000000, -0.0001040400000000 ] - [ -0.0007843900000000, -0.0006091100000000, 0.0001163900000000 ] - [ 0.4034744800000000, 0.0039125400000000, 0.0449365700000000 ] - [ -0.0006623700000000, 0.0005246000000000, 0.0001490400000000 ] - [ 0.0011779700000000, -0.0021088800000000, 0.0006163800000000 ] - [ -0.0020316800000000, 0.0003944300000000, -0.0006819300000000 ] - [ 0.0009567800000000, 0.0007074400000000, -0.0003185900000000 ] - [ -0.0006436600000000, 0.0003652600000000, 0.0000074700000000 ] - [ -0.0030009700000000, -0.0017823900000000, 0.0000342700000000 ] - [ -0.0005730100000000, 0.0006394500000000, -0.0001676400000000 ] - [ -0.0005078200000000, -0.0005908900000000, -0.0001248700000000 ] - [ -0.0003992900000000, -0.0001719200000000, -0.0001615200000000 ] - [ 0.0001382400000000, 0.0043865900000000, -0.0002844500000000 ] - [ -0.0018462900000000, -0.0002686300000000, 0.0001584300000000 ] - [ 0.0001008800000000, 0.0010740000000000, -0.0001888700000000 ] - [ -0.0009261500000000, 0.0007512300000000, 0.0003368500000000 ] - [ -0.0012285100000000, 0.0003523800000000, 0.0002076200000000 ] - [ -0.0001034800000000, 0.0006056500000000, 0.0000605800000000 ] - [ -0.0038573000000000, 0.0029104100000000, -0.0010690100000000 ] - [ 0.0014137300000000, 0.0000015700000000, -0.0001610800000000 ] - [ -0.0042225900000000, -0.0036159900000000, -0.0010007700000000 ] - [ -0.0113304300000000, 0.0153197700000000, 0.0022845400000000 ] - [ -0.0012105100000000, 0.0005548900000000, -0.0001414400000000 ] - [ 0.0009907300000000, -0.0036283900000000, 0.0007295300000000 ] - [ -0.0015582900000000, 0.0013992300000000, 0.0023520100000000 ] - [ -0.0012525900000000, 0.0002347000000000, -0.0001617200000000 ] - [ -0.0003153600000000, -0.0010851500000000, -0.0001222500000000 ] - [ -0.0021131000000000, -0.0003249100000000, 0.0001891200000000 ] - [ 0.0000260300000000, -0.0007386400000000, -0.0002163400000000 ] - [ -0.0001190700000000, -0.0010175000000000, 0.0000102700000000 ] - [ -0.0004100000000000, 0.0011948200000000, 0.0016272500000000 ] - [ -0.0000322800000000, -0.0009833300000000, -0.0003599300000000 ] - [ -0.0131505100000000, -0.0200975500000000, -0.0051513100000000 ] - [ 0.0014611300000000, -0.0014868500000000, 0.0003754600000000 ] - [ 0.0022206000000000, -0.0004199000000000, 0.0000885700000000 ] - [ -0.0194472900000000, -0.0102235300000000, 0.0032186600000000 ] - [ -0.0000845100000000, -0.0008669300000000, 0.0000941000000000 ] - [ -0.0012992600000000, 0.0008139600000000, 0.0001193900000000 ] - [ -0.0002058300000000, -0.0011418700000000, 0.0002000500000000 ] - [ -0.0001003800000000, 0.0009753700000000, -0.0001739500000000 ] - [ -0.0006406400000000, -0.0004224400000000, -0.0002155600000000 ] - [ -0.0000382600000000, -0.0006100500000000, 0.0008460200000000 ] - [ -0.0035290000000000, 0.0015012300000000, -0.0007075100000000 ] - [ -0.0013034400000000, -0.0009872700000000, 0.0003001300000000 ] - [ 0.0000978900000000, 0.0011652100000000, -0.0000209200000000 ] - [ -0.0001880600000000, 0.0010517200000000, -0.0002664900000000 ] - [ -0.0035638900000000, -0.0003594500000000, -0.0205564200000000 ] - [ 0.0002602600000000, 0.0003798200000000, 0.0000338400000000 ] - [ -0.0024643800000000, -0.0005949200000000, 0.0000667600000000 ] - [ -0.0015914500000000, 0.0008654900000000, 0.0002331100000000 ] - [ -0.0013472300000000, 0.0003575700000000, 0.0001061500000000 ] - [ 0.0005026600000000, 0.0016552500000000, 0.0001694900000000 ] - [ -0.0009671400000000, -0.0024690400000000, 0.0032152300000000 ] - [ 0.0004714900000000, -0.0019149700000000, 0.0024352200000000 ] - [ 0.0008263400000000, -0.0009916800000000, 0.0001730800000000 ] - [ -0.0002826700000000, 0.0006469900000000, -0.0000784800000000 ] - [ -0.0010907300000000, -0.0000761600000000, -0.0001057900000000 ] - [ -0.0010799800000000, -0.0000854100000000, -0.0002259100000000 ] - [ -0.0001448100000000, -0.0006126400000000, -0.0001648100000000 ] - [ 0.0014033600000000, 0.0011122600000000, -0.0010296000000000 ] - [ -0.0011779600000000, -0.0003132200000000, 0.0004584800000000 ] - [ -0.0010364600000000, 0.0002467300000000, -0.0000204800000000 ] - [ -0.0007606100000000, 0.0026317700000000, 0.0026364800000000 ] - [ -0.0002524700000000, -0.0006966700000000, 0.0000257000000000 ] - [ 0.0008198400000000, 0.0008457600000000, 0.0004749900000000 ] - [ -0.0002704000000000, 0.0006149800000000, -0.0001704500000000 ] - [ -0.0012759500000000, -0.0003179100000000, -0.0000105300000000 ] - [ -0.0005225800000000, -0.0010603400000000, 0.0000304200000000 ] - [ 0.0000183000000000, 0.0008941800000000, 0.0001695400000000 ] - [ 0.0012265700000000, 0.0017027000000000, 0.0002672900000000 ] - [ 0.0007583400000000, 0.0018306800000000, 0.0004966700000000 ] - [ -0.0017330900000000, 0.0025207100000000, 0.0175065500000000 ] - [ -0.0013678400000000, 0.0000823600000000, 0.0000782000000000 ] - [ -0.0016031300000000, -0.0002686300000000, -0.0002004500000000 ] - [ -0.0009686100000000, -0.0012081400000000, 0.0000396300000000 ] - [ -0.0008337100000000, 0.0005674000000000, -0.0004428700000000 ] - [ 0.0015101100000000, -0.0049915700000000, 0.0001091700000000 ] - [ 0.0002001400000000, 0.0009180800000000, -0.0000361800000000 ] - [ -0.0009314300000000, -0.0009655200000000, 0.0003539900000000 ] - [ -0.0012869800000000, -0.0008726200000000, 0.0000152800000000 ] - [ -0.0011588900000000, 0.0001516100000000, -0.0001066000000000 ] - [ 0.0020571700000000, -0.0002791000000000, -0.0002365900000000 ] - [ -0.0001887100000000, 0.0005193200000000, -0.0002309400000000 ] - [ 0.0023241900000000, -0.0003507700000000, 0.0000466800000000 ] - [ -0.0314392900000000, 0.0116515700000000, 0.0001860800000000 ] - [ -0.0010387100000000, -0.0006886400000000, 0.0003215800000000 ] - [ 0.0001321400000000, -0.0027794200000000, -0.0019891700000000 ] - [ 0.0003881700000000, -0.0011778700000000, -0.0003868700000000 ] - [ 0.0066514100000000, 0.0001171600000000, 0.0001026600000000 ] - [ 0.0018338900000000, 0.0048072200000000, 0.0002160300000000 ]- atom: 81 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0002795400000000, 0.0000376200000000, 0.0000664500000000 ] - [ 0.0004302700000000, -0.0006888000000000, 0.0002449500000000 ] - [ -0.0000368100000000, -0.0004168000000000, 0.0003048600000000 ] - [ -0.0016881200000000, -0.0017777800000000, 0.0031690400000000 ] - [ -0.0001390300000000, -0.0004711300000000, 0.0000455900000000 ] - [ 0.0005654900000000, -0.0007046300000000, 0.0001376900000000 ] - [ 0.0009771400000000, 0.0011479600000000, -0.0008145800000000 ] - [ -0.0001607900000000, 0.0000447600000000, 0.0001365000000000 ] - [ -0.0001787700000000, 0.0001969700000000, 0.0000383800000000 ] - [ -0.0000134700000000, -0.0004634900000000, 0.0001889300000000 ] - [ 0.0005641400000000, 0.0001504000000000, -0.0000008900000000 ] - [ -0.0002626000000000, 0.0001617500000000, 0.0000611300000000 ] - [ 0.0004507600000000, -0.0007400800000000, -0.0001177500000000 ] - [ 0.0004672000000000, -0.0000193300000000, 0.0000690500000000 ] - [ 0.0007876800000000, 0.0004676300000000, -0.0000683400000000 ] - [ 0.0003347100000000, 0.0001195000000000, 0.0002567200000000 ] - [ -0.0017927200000000, -0.0018243400000000, 0.0024780800000000 ] - [ 0.0005363600000000, 0.0000708300000000, 0.0001209500000000 ] - [ 0.0010017700000000, 0.0008591900000000, 0.0007858700000000 ] - [ -0.0019418100000000, 0.0046207000000000, 0.0030218500000000 ] - [ 0.0001040700000000, -0.0004652500000000, -0.0000058100000000 ] - [ 0.0009914500000000, 0.0011289200000000, 0.0006448100000000 ] - [ 0.0004656700000000, -0.0009491900000000, 0.0002570600000000 ] - [ -0.0014439600000000, -0.0009911500000000, -0.0013864300000000 ] - [ -0.0017458300000000, -0.0009682700000000, -0.0000404400000000 ] - [ -0.0005695200000000, 0.0017907700000000, -0.0005285100000000 ] - [ 0.0011269500000000, -0.0018018300000000, -0.0000292600000000 ] - [ 0.0013343300000000, 0.0007548400000000, -0.0001688400000000 ] - [ 0.0006317200000000, -0.0010078700000000, 0.0004487000000000 ] - [ -0.0011187000000000, -0.0034279700000000, 0.0004667800000000 ] - [ -0.0003790700000000, -0.0013463900000000, -0.0015612100000000 ] - [ 0.0011090500000000, 0.0003429200000000, 0.0004814100000000 ] - [ -0.0003112500000000, -0.0014205700000000, -0.0000874900000000 ] - [ -0.0010307300000000, 0.0000876400000000, -0.0002447300000000 ] - [ 0.0005740500000000, 0.0000277700000000, -0.0001405500000000 ] - [ -0.0020870400000000, 0.0004010100000000, 0.0014343000000000 ] - [ -0.0008357300000000, -0.0001330900000000, 0.0006097000000000 ] - [ 0.0018262200000000, -0.0000986600000000, 0.0000237000000000 ] - [ 0.0002785000000000, -0.0001532500000000, 0.0003909100000000 ] - [ 0.0043688300000000, -0.0087773500000000, -0.0015026200000000 ] - [ 0.0015482300000000, 0.0010735100000000, 0.0000093600000000 ] - [ 0.0009047800000000, -0.0005626500000000, 0.0000598200000000 ] - [ -0.0831025100000000, 0.0388570400000000, 0.0280640500000000 ] - [ 0.0014998300000000, -0.0013699000000000, -0.0001449700000000 ] - [ -0.0003032500000000, -0.0002374200000000, -0.0000965700000000 ] - [ -0.0032548600000000, 0.0043447800000000, 0.0040959800000000 ] - [ 0.0003276100000000, -0.0002470600000000, -0.0000280400000000 ] - [ 0.0005987200000000, 0.0002976000000000, -0.0002042800000000 ] - [ -0.0013452600000000, -0.0011295500000000, -0.0003535700000000 ] - [ -0.0003655700000000, 0.0066639900000000, -0.0009780500000000 ] - [ -0.0742039600000000, 0.0247443900000000, -0.0230636500000000 ] - [ 0.0017955500000000, -0.0000633700000000, 0.0001972000000000 ] - [ 0.0018055100000000, -0.0004072100000000, 0.0004726000000000 ] - [ 0.0007756100000000, -0.0016413800000000, 0.0002598600000000 ] - [ -0.0001914900000000, 0.0007536200000000, 0.0003668800000000 ] - [ 0.0004215800000000, 0.0004879600000000, -0.0007805300000000 ] - [ 0.0000650400000000, 0.0005363500000000, -0.0005846200000000 ] - [ -0.0000448700000000, -0.0014358100000000, 0.0007037800000000 ] - [ 0.0002185900000000, -0.0015173900000000, 0.0000566600000000 ] - [ -0.0007425800000000, -0.0012456900000000, 0.0003881500000000 ] - [ 0.0008971100000000, 0.0006999800000000, -0.0005075400000000 ] - [ -0.0032892800000000, 0.0019108900000000, -0.0061698300000000 ] - [ 0.0013253900000000, -0.0010924100000000, -0.0005036500000000 ] - [ 0.0029955000000000, -0.0002954100000000, -0.0004201200000000 ] - [ -0.0017688300000000, -0.0006327700000000, -0.0011866700000000 ] - [ 0.0004352200000000, -0.0013325800000000, 0.0000372100000000 ] - [ -0.0007195500000000, -0.0002919500000000, -0.0005862700000000 ] - [ -0.0008882100000000, 0.0029950600000000, 0.0010995800000000 ] - [ -0.0006606200000000, -0.0039416600000000, -0.0013457500000000 ] - [ 0.0007865500000000, 0.0007469700000000, -0.0005575400000000 ] - [ -0.0001152900000000, -0.0009494800000000, -0.0014770500000000 ] - [ 0.0081300700000000, -0.0061537100000000, -0.0028279700000000 ] - [ 0.0000981300000000, 0.0007813000000000, 0.0001214000000000 ] - [ -0.0002903200000000, -0.0000758300000000, 0.0000223900000000 ] - [ 0.0011919000000000, -0.0022602200000000, 0.0017503300000000 ] - [ -0.0014383700000000, -0.0002518900000000, 0.0000559300000000 ] - [ -0.0009542400000000, 0.0009794100000000, 0.0001739600000000 ] - [ 0.0005974600000000, 0.0003339900000000, -0.0002985100000000 ] - [ 0.0000439800000000, 0.0003779400000000, -0.0001969200000000 ] - [ -0.0001713100000000, 0.0000662500000000, -0.0000680400000000 ] - [ 0.1975059400000000, -0.0595044400000000, -0.0108034700000000 ] - [ -0.0005723200000000, 0.0006630800000000, 0.0001575900000000 ] - [ 0.0012087500000000, -0.0012829700000000, 0.0003919400000000 ] - [ -0.0011609000000000, 0.0000194500000000, -0.0004061500000000 ] - [ 0.0003701700000000, 0.0009410000000000, -0.0005140800000000 ] - [ -0.0002620800000000, 0.0006660800000000, 0.0000892500000000 ] - [ 0.0013597700000000, -0.0007235500000000, -0.0002534300000000 ] - [ -0.0004069100000000, 0.0005772000000000, -0.0001272200000000 ] - [ -0.0002001500000000, -0.0001138200000000, -0.0000424400000000 ] - [ -0.0000814800000000, 0.0002304700000000, -0.0002063300000000 ] - [ -0.0005237500000000, 0.0037933900000000, -0.0000766700000000 ] - [ -0.0008643600000000, -0.0004322900000000, 0.0001168600000000 ] - [ 0.0000268400000000, 0.0010841500000000, -0.0001784500000000 ] - [ -0.0009679700000000, 0.0003605200000000, 0.0003513400000000 ] - [ -0.0008611900000000, 0.0000387900000000, 0.0003848600000000 ] - [ -0.0001646100000000, 0.0007417200000000, 0.0000857400000000 ] - [ -0.0032604300000000, 0.0016002700000000, -0.0009141600000000 ] - [ 0.0007910200000000, 0.0003166600000000, -0.0002106900000000 ] - [ -0.0011971300000000, -0.0017903300000000, -0.0004313600000000 ] - [ -0.0164564400000000, 0.0134878000000000, 0.0026098100000000 ] - [ -0.0004477500000000, 0.0001716700000000, -0.0000463500000000 ] - [ 0.0007778900000000, 0.0004013800000000, 0.0000106500000000 ] - [ -0.0017962100000000, 0.0006820600000000, 0.0027536300000000 ] - [ -0.0011112900000000, 0.0000327900000000, -0.0002019700000000 ] - [ 0.0000743200000000, 0.0000205500000000, -0.0000617000000000 ] - [ -0.0008900600000000, -0.0005767000000000, 0.0001702200000000 ] - [ 0.0005935800000000, 0.0011578700000000, -0.0005036000000000 ] - [ -0.0000905400000000, -0.0000099100000000, 0.0000158500000000 ] - [ -0.0003335300000000, -0.0004062800000000, 0.0008159800000000 ] - [ 0.0003152100000000, 0.0003611200000000, 0.0000121600000000 ] - [ 0.0128105700000000, -0.0007213600000000, 0.0010987700000000 ] - [ 0.0011440900000000, -0.0004526200000000, 0.0001758100000000 ] - [ 0.0011129900000000, 0.0004830100000000, -0.0000838900000000 ] - [ -0.0044309600000000, -0.0073887400000000, 0.0010821400000000 ] - [ 0.0001708000000000, 0.0007550000000000, 0.0001586800000000 ] - [ -0.0011065300000000, 0.0005184300000000, 0.0001658600000000 ] - [ -0.0000507900000000, -0.0003259000000000, 0.0001425300000000 ] - [ -0.0005232600000000, 0.0012281800000000, -0.0003023400000000 ] - [ 0.0000560000000000, 0.0001812900000000, -0.0000877400000000 ] - [ 0.0002613500000000, 0.0000574500000000, 0.0007836700000000 ] - [ -0.0041573000000000, 0.0009263300000000, -0.0008845000000000 ] - [ -0.0004045700000000, -0.0003030900000000, 0.0000963200000000 ] - [ -0.0003834500000000, 0.0015473800000000, 0.0000773700000000 ] - [ -0.0004042500000000, 0.0004295700000000, -0.0000276300000000 ] - [ -0.0040095900000000, -0.0070907200000000, -0.0139320900000000 ] - [ 0.0002624600000000, 0.0004829200000000, 0.0000199400000000 ] - [ -0.0017963500000000, -0.0010684700000000, 0.0001142700000000 ] - [ -0.0011000800000000, 0.0004163000000000, 0.0001253400000000 ] - [ -0.0008694100000000, 0.0004784900000000, 0.0001050500000000 ] - [ -0.0002037700000000, 0.0022409700000000, 0.0000598000000000 ] - [ 0.0001636600000000, -0.0016207200000000, 0.0006345200000000 ] - [ 0.0012911300000000, -0.0007707800000000, -0.0008980700000000 ] - [ 0.0009949700000000, 0.0005383400000000, 0.0009954500000000 ] - [ -0.0007363500000000, 0.0007377800000000, -0.0001368000000000 ] - [ -0.0007057400000000, -0.0003576300000000, -0.0001110100000000 ] - [ -0.0004967500000000, -0.0003474400000000, -0.0001322500000000 ] - [ 0.0000671500000000, 0.0000898700000000, -0.0002036700000000 ] - [ 0.0001336800000000, -0.0003703000000000, 0.0001781600000000 ] - [ -0.0003674100000000, -0.0002191800000000, 0.0007397900000000 ] - [ -0.0005560200000000, 0.0004814600000000, 0.0000606300000000 ] - [ -0.0010873300000000, 0.0014280200000000, 0.0018965900000000 ] - [ 0.0005113800000000, 0.0001501700000000, 0.0000689400000000 ] - [ 0.0000621800000000, 0.0011633200000000, 0.0006748500000000 ] - [ -0.0006743000000000, 0.0006796000000000, -0.0000726700000000 ] - [ -0.0006338600000000, -0.0004930700000000, -0.0001477800000000 ] - [ 0.0001693400000000, -0.0003979200000000, 0.0000853600000000 ] - [ -0.0002511000000000, 0.0010402900000000, 0.0002033700000000 ] - [ 0.0003470600000000, 0.0011757800000000, 0.0002468200000000 ] - [ -0.0001561700000000, 0.0009993400000000, 0.0003405900000000 ] - [ -0.0022189900000000, -0.0028537400000000, 0.0113785700000000 ] - [ -0.0010071900000000, -0.0003533600000000, -0.0000218400000000 ] - [ -0.0002830000000000, -0.0006831900000000, -0.0001864600000000 ] - [ 0.0001939900000000, 0.0000292300000000, 0.0000524000000000 ] - [ -0.0006107600000000, 0.0003914200000000, -0.0003634400000000 ] - [ 0.0026435200000000, -0.0013787900000000, -0.0001683600000000 ] - [ -0.0003382600000000, 0.0013280300000000, -0.0000112900000000 ] - [ 0.0002220700000000, -0.0005320100000000, -0.0001508500000000 ] - [ -0.0000802400000000, -0.0007076800000000, -0.0001940000000000 ] - [ -0.0006663100000000, 0.0004074400000000, -0.0000928200000000 ] - [ 0.0013372800000000, 0.0005334800000000, -0.0002097900000000 ] - [ -0.0001862700000000, 0.0008105800000000, -0.0002840800000000 ] - [ 0.0012059800000000, 0.0005610700000000, 0.0001080500000000 ] - [ -0.0250110900000000, 0.0012393300000000, -0.0001548200000000 ] - [ -0.0000477600000000, -0.0002890100000000, 0.0008520700000000 ] - [ -0.0001136200000000, -0.0033765900000000, -0.0016452500000000 ] - [ 0.0006915400000000, -0.0004070400000000, -0.0003384200000000 ] - [ 0.0035942300000000, -0.0011472500000000, -0.0000258600000000 ] - [ -0.0006758900000000, 0.0043392700000000, 0.0004172400000000 ]- atom: 81 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0002246600000000, -0.0000099000000000, 0.0001581600000000 ] - [ -0.0004316500000000, 0.0006904200000000, -0.0001259400000000 ] - [ 0.0001531800000000, 0.0005696200000000, 0.0001542900000000 ] - [ 0.0015956900000000, 0.0016152400000000, -0.0027187900000000 ] - [ -0.0001577600000000, 0.0002734100000000, -0.0000114000000000 ] - [ -0.0003724500000000, 0.0006832300000000, 0.0003206900000000 ] - [ -0.0009804200000000, -0.0011435000000000, 0.0009258700000000 ] - [ 0.0002143100000000, -0.0000797000000000, 0.0000898400000000 ] - [ 0.0001780900000000, -0.0001989700000000, 0.0000742900000000 ] - [ 0.0000909500000000, 0.0002876200000000, 0.0002702000000000 ] - [ -0.0002684400000000, 0.0000465800000000, 0.0000351200000000 ] - [ 0.0002637000000000, -0.0001612700000000, -0.0000031500000000 ] - [ -0.0004512100000000, 0.0007426000000000, 0.0002400600000000 ] - [ -0.0005219200000000, -0.0000106000000000, 0.0001561700000000 ] - [ -0.0009805000000000, -0.0004483200000000, 0.0005292500000000 ] - [ -0.0004127900000000, 0.0000560700000000, 0.0002023400000000 ] - [ 0.0017900500000000, 0.0017716400000000, -0.0022470700000000 ] - [ -0.0004838700000000, -0.0000414700000000, 0.0001041900000000 ] - [ -0.0010310100000000, -0.0005062800000000, -0.0007560700000000 ] - [ 0.0019864100000000, -0.0044810400000000, -0.0026745300000000 ] - [ 0.0002169800000000, 0.0003030700000000, 0.0000411400000000 ] - [ -0.0010023000000000, -0.0011254200000000, -0.0005851600000000 ] - [ -0.0004414600000000, 0.0005923400000000, -0.0002216400000000 ] - [ 0.0011400900000000, 0.0011522700000000, 0.0014273300000000 ] - [ 0.0015929700000000, -0.0003170300000000, -0.0004599800000000 ] - [ 0.0002995700000000, -0.0014435700000000, 0.0004804100000000 ] - [ 0.0001686700000000, 0.0006911400000000, -0.0000792700000000 ] - [ -0.0001568600000000, -0.0002330500000000, -0.0003296900000000 ] - [ -0.0006508000000000, 0.0010506100000000, 0.0003541100000000 ] - [ 0.0008072400000000, 0.0017772400000000, -0.0005790900000000 ] - [ -0.0012255800000000, 0.0007887400000000, 0.0014687900000000 ] - [ -0.0010927100000000, -0.0003849100000000, 0.0003214300000000 ] - [ 0.0002673600000000, 0.0014298500000000, 0.0008891100000000 ] - [ -0.0000163700000000, 0.0006767100000000, -0.0002530700000000 ] - [ -0.0002519000000000, 0.0016366600000000, 0.0000332000000000 ] - [ 0.0016229800000000, -0.0005164100000000, -0.0014285000000000 ] - [ 0.0008567300000000, 0.0001688300000000, 0.0001902400000000 ] - [ -0.0031338500000000, 0.0012134900000000, -0.0001342700000000 ] - [ -0.0002988400000000, 0.0001065800000000, 0.0004083800000000 ] - [ -0.0040843900000000, 0.0084424000000000, 0.0014538600000000 ] - [ -0.0013867300000000, -0.0006548900000000, -0.0000468200000000 ] - [ -0.0020868200000000, 0.0000425900000000, -0.0005584800000000 ] - [ 0.0869302600000000, -0.0391329000000000, -0.0288477800000000 ] - [ 0.0001106400000000, 0.0019247500000000, 0.0000405800000000 ] - [ 0.0007279100000000, 0.0003069500000000, 0.0000533700000000 ] - [ 0.0034156200000000, -0.0030749900000000, -0.0046525200000000 ] - [ -0.0004935300000000, -0.0001690900000000, -0.0000101600000000 ] - [ 0.0004399000000000, -0.0010673000000000, -0.0002955200000000 ] - [ 0.0016297600000000, 0.0000819900000000, -0.0007799600000000 ] - [ 0.0020228000000000, -0.0062905700000000, 0.0016524000000000 ] - [ 0.0736764900000000, -0.0248033000000000, 0.0215222100000000 ] - [ -0.0006436700000000, -0.0011763300000000, 0.0004720700000000 ] - [ -0.0011375600000000, -0.0001359800000000, -0.0001124800000000 ] - [ -0.0009235800000000, 0.0008124200000000, 0.0000926300000000 ] - [ -0.0009664400000000, 0.0004865400000000, 0.0003032800000000 ] - [ 0.0002718000000000, -0.0006228000000000, -0.0004912000000000 ] - [ -0.0003343100000000, 0.0004936800000000, -0.0005521900000000 ] - [ 0.0001921600000000, 0.0022700200000000, -0.0003552700000000 ] - [ -0.0009888000000000, 0.0012118800000000, 0.0002933300000000 ] - [ 0.0002356700000000, -0.0003734300000000, 0.0002836100000000 ] - [ -0.0019554100000000, -0.0004188800000000, -0.0006319600000000 ] - [ 0.0025590400000000, -0.0026717800000000, 0.0050123200000000 ] - [ -0.0002728800000000, 0.0008099900000000, -0.0006344200000000 ] - [ -0.0034185300000000, -0.0002606300000000, -0.0008498400000000 ] - [ 0.0019726000000000, 0.0000003100000000, -0.0000904400000000 ] - [ -0.0011062400000000, 0.0018785500000000, 0.0003257000000000 ] - [ 0.0000088900000000, 0.0004170000000000, -0.0006801600000000 ] - [ 0.0013918800000000, -0.0013922900000000, -0.0004230700000000 ] - [ 0.0014054400000000, 0.0046974300000000, 0.0002050300000000 ] - [ -0.0003646100000000, -0.0001894600000000, -0.0007144100000000 ] - [ -0.0015479300000000, 0.0005970000000000, 0.0021457500000000 ] - [ -0.0074034500000000, 0.0064962800000000, 0.0032043300000000 ] - [ 0.0005139900000000, -0.0004800000000000, 0.0000521900000000 ] - [ 0.0010130800000000, 0.0004316600000000, 0.0002337900000000 ] - [ -0.0003323600000000, 0.0025227000000000, -0.0014921300000000 ] - [ 0.0006578000000000, 0.0007029800000000, 0.0000138500000000 ] - [ 0.0011188200000000, -0.0011366800000000, -0.0002183000000000 ] - [ -0.0004153500000000, -0.0000494400000000, 0.0001785700000000 ] - [ 0.0000212600000000, 0.0001105100000000, -0.0001406400000000 ] - [ -0.0009239900000000, -0.0001098200000000, 0.0000722400000000 ] - [ -0.2018460400000000, 0.0608044700000000, 0.0124762700000000 ] - [ 0.0000048500000000, -0.0002839700000000, 0.0000125000000000 ] - [ -0.0005844100000000, 0.0003056400000000, -0.0003652800000000 ] - [ -0.0002273200000000, 0.0008762600000000, -0.0003005500000000 ] - [ 0.0001966700000000, -0.0013245800000000, 0.0006895000000000 ] - [ 0.0002444800000000, 0.0002419600000000, -0.0000193200000000 ] - [ -0.0002403400000000, 0.0007743700000000, 0.0002566700000000 ] - [ 0.0002524000000000, -0.0002746900000000, 0.0000069500000000 ] - [ 0.0000158000000000, -0.0001657200000000, -0.0000761700000000 ] - [ 0.0001679300000000, 0.0001459400000000, -0.0002280300000000 ] - [ 0.0005815100000000, -0.0036126100000000, 0.0000337200000000 ] - [ 0.0010913400000000, -0.0000690900000000, -0.0000183700000000 ] - [ 0.0005143600000000, -0.0009024100000000, 0.0000500200000000 ] - [ 0.0011855500000000, -0.0003072500000000, -0.0003976700000000 ] - [ 0.0010139600000000, -0.0000190600000000, 0.0012272700000000 ] - [ 0.0001108600000000, -0.0009548000000000, -0.0001273900000000 ] - [ 0.0028766400000000, -0.0013066600000000, 0.0005818100000000 ] - [ -0.0003626100000000, -0.0007000000000000, 0.0000855200000000 ] - [ -0.0002701500000000, 0.0010395900000000, -0.0002745400000000 ] - [ 0.0165918700000000, -0.0142522000000000, -0.0027631600000000 ] - [ 0.0003334100000000, 0.0005492500000000, 0.0000135100000000 ] - [ -0.0005758000000000, 0.0005003800000000, 0.0002429500000000 ] - [ 0.0017651200000000, -0.0013683400000000, -0.0026098000000000 ] - [ 0.0005037200000000, -0.0003366600000000, 0.0003793000000000 ] - [ -0.0006433100000000, -0.0005048100000000, 0.0000221700000000 ] - [ 0.0015540400000000, -0.0000363000000000, 0.0000841600000000 ] - [ -0.0005056100000000, 0.0004940100000000, -0.0002038700000000 ] - [ -0.0002229100000000, -0.0004421200000000, 0.0000807400000000 ] - [ -0.0004632600000000, -0.0000425200000000, -0.0007350100000000 ] - [ -0.0007677500000000, -0.0005495300000000, -0.0003478100000000 ] - [ -0.0122699300000000, 0.0010288900000000, -0.0014204500000000 ] - [ -0.0008350900000000, 0.0009144800000000, -0.0000812700000000 ] - [ -0.0011048200000000, -0.0013916000000000, 0.0001529400000000 ] - [ 0.0049893000000000, 0.0073732400000000, -0.0009907500000000 ] - [ -0.0008379400000000, -0.0003181800000000, 0.0000916600000000 ] - [ 0.0003886000000000, -0.0008749600000000, 0.0000882900000000 ] - [ -0.0001531900000000, -0.0005472800000000, 0.0001145200000000 ] - [ 0.0003642700000000, -0.0010775300000000, 0.0002609300000000 ] - [ 0.0004746600000000, 0.0008056300000000, 0.0000966800000000 ] - [ -0.0001596900000000, -0.0001820900000000, 0.0008345100000000 ] - [ 0.0045375600000000, -0.0010006900000000, 0.0006252800000000 ] - [ 0.0003345200000000, 0.0001909100000000, -0.0000797900000000 ] - [ 0.0002892000000000, -0.0012552000000000, -0.0003595300000000 ] - [ 0.0018768500000000, 0.0003175000000000, -0.0006766400000000 ] - [ 0.0040002000000000, 0.0068717600000000, 0.0155655500000000 ] - [ 0.0005249900000000, -0.0009321700000000, 0.0000497200000000 ] - [ 0.0012681000000000, 0.0000789300000000, -0.0001054800000000 ] - [ 0.0012183700000000, -0.0011389800000000, -0.0001590400000000 ] - [ 0.0002100000000000, 0.0001326600000000, 0.0001495500000000 ] - [ 0.0009911600000000, -0.0017822100000000, 0.0000130900000000 ] - [ 0.0001233500000000, 0.0013569700000000, -0.0010731600000000 ] - [ -0.0009205900000000, 0.0008944000000000, 0.0004482400000000 ] - [ -0.0009352100000000, -0.0003940300000000, 0.0006147300000000 ] - [ 0.0005191600000000, -0.0007934800000000, 0.0000925900000000 ] - [ 0.0007781300000000, 0.0004703500000000, 0.0001276000000000 ] - [ 0.0006537600000000, 0.0000446100000000, 0.0000120900000000 ] - [ -0.0004353400000000, -0.0002040400000000, -0.0002295400000000 ] - [ -0.0000573400000000, 0.0002288700000000, -0.0001470100000000 ] - [ 0.0002177500000000, 0.0001976100000000, 0.0008726800000000 ] - [ 0.0003321000000000, 0.0000199500000000, 0.0000378500000000 ] - [ 0.0008009000000000, -0.0011689300000000, -0.0023282800000000 ] - [ -0.0003748900000000, -0.0001539700000000, -0.0000517100000000 ] - [ -0.0004017900000000, -0.0011455100000000, -0.0007937200000000 ] - [ 0.0003289600000000, -0.0006132900000000, -0.0001919800000000 ] - [ 0.0005495000000000, 0.0001155700000000, -0.0002885100000000 ] - [ 0.0005012700000000, -0.0000313300000000, 0.0001657100000000 ] - [ 0.0002940200000000, -0.0003586000000000, -0.0000319800000000 ] - [ -0.0001350600000000, -0.0009259900000000, -0.0005170600000000 ] - [ -0.0003956000000000, -0.0009561900000000, -0.0002438700000000 ] - [ 0.0025417800000000, 0.0028773000000000, -0.0115127200000000 ] - [ 0.0004683200000000, 0.0001721600000000, -0.0001055500000000 ] - [ 0.0002242400000000, 0.0001938900000000, -0.0001497500000000 ] - [ 0.0003815900000000, 0.0004649300000000, -0.0000926800000000 ] - [ 0.0007067400000000, -0.0006885400000000, 0.0000823500000000 ] - [ -0.0027153800000000, 0.0015080800000000, 0.0001847400000000 ] - [ 0.0004517200000000, -0.0007656300000000, -0.0001206900000000 ] - [ -0.0003514800000000, 0.0005397500000000, 0.0001660100000000 ] - [ 0.0004610600000000, 0.0004112400000000, -0.0001367100000000 ] - [ 0.0002374600000000, -0.0000233100000000, -0.0000328800000000 ] - [ -0.0006235500000000, -0.0007853800000000, 0.0001664300000000 ] - [ -0.0000276200000000, -0.0010619900000000, 0.0000147600000000 ] - [ -0.0012291900000000, -0.0013579100000000, 0.0001443400000000 ] - [ 0.0240958800000000, -0.0003247100000000, 0.0002013000000000 ] - [ -0.0000481800000000, 0.0004176900000000, 0.0007688100000000 ] - [ 0.0000289100000000, 0.0017342400000000, 0.0009467500000000 ] - [ 0.0006972200000000, -0.0004913400000000, -0.0003684800000000 ] - [ -0.0035844900000000, 0.0019490300000000, 0.0002832800000000 ] - [ -0.0001963900000000, -0.0045937100000000, -0.0001602000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000531300000000, -0.0001167900000000, 0.0001000200000000 ] - [ -0.0000338100000000, -0.0000138600000000, 0.0000295000000000 ] - [ 0.0000691000000000, 0.0000303800000000, 0.0002348800000000 ] - [ -0.0003499100000000, 0.0030669800000000, -0.0012581200000000 ] - [ -0.0001349600000000, -0.0000950900000000, 0.0000099500000000 ] - [ 0.0001470000000000, 0.0000132400000000, 0.0001959600000000 ] - [ 0.0002496500000000, 0.0001359400000000, -0.0001688800000000 ] - [ 0.0000173900000000, -0.0001052200000000, 0.0001232400000000 ] - [ -0.0000531500000000, -0.0000111700000000, 0.0000741800000000 ] - [ 0.0000511500000000, -0.0001130300000000, 0.0002352300000000 ] - [ 0.0000925900000000, 0.0000783800000000, 0.0000227500000000 ] - [ -0.0001408400000000, -0.0000526900000000, 0.0000020500000000 ] - [ 0.0000018200000000, -0.0000431900000000, 0.0000920400000000 ] - [ -0.0000644000000000, 0.0000180900000000, 0.0001012500000000 ] - [ 0.0002166500000000, 0.0000962800000000, 0.0003963700000000 ] - [ -0.0000869400000000, 0.0000534900000000, 0.0002271400000000 ] - [ 0.0004870300000000, 0.0026844200000000, -0.0003472600000000 ] - [ -0.0000206200000000, 0.0000419900000000, 0.0001255000000000 ] - [ -0.0005408600000000, 0.0003216400000000, -0.0003143100000000 ] - [ 0.0003162700000000, 0.0033342100000000, 0.0046845900000000 ] - [ 0.0001734900000000, -0.0001912900000000, 0.0000156000000000 ] - [ -0.0010729800000000, -0.0000617000000000, 0.0003135000000000 ] - [ 0.0000213500000000, -0.0000812200000000, 0.0000772100000000 ] - [ 0.0000004700000000, -0.0012280900000000, -0.0001612200000000 ] - [ -0.0002711600000000, -0.0011807000000000, 0.0005482100000000 ] - [ 0.0001258500000000, 0.0008563700000000, -0.0004341100000000 ] - [ 0.0006936600000000, -0.0005319700000000, -0.0000457500000000 ] - [ 0.0003027000000000, 0.0003280900000000, -0.0002545400000000 ] - [ -0.0000093500000000, 0.0000880000000000, 0.0004254800000000 ] - [ -0.0000207800000000, -0.0005807200000000, 0.0001756400000000 ] - [ -0.0002419000000000, -0.0013333100000000, -0.0001682900000000 ] - [ -0.0000713300000000, 0.0000494600000000, 0.0003467100000000 ] - [ 0.0004289000000000, -0.0000872500000000, -0.0000989800000000 ] - [ -0.0005981900000000, 0.0002717500000000, -0.0002362000000000 ] - [ 0.0001270600000000, 0.0007381200000000, -0.0000499200000000 ] - [ -0.0003536600000000, -0.0007492800000000, 0.0017774900000000 ] - [ 0.0001380800000000, -0.0001041200000000, 0.0002239700000000 ] - [ -0.0007867500000000, 0.0005467500000000, -0.0000593700000000 ] - [ -0.0001155000000000, -0.0002215500000000, 0.0004046700000000 ] - [ 0.0010037500000000, -0.0011484800000000, 0.0004434300000000 ] - [ -0.0000285700000000, 0.0003403600000000, 0.0000201400000000 ] - [ -0.0008907000000000, -0.0000610900000000, -0.0002672500000000 ] - [ -0.0399129400000000, 0.0114817600000000, 0.0368148500000000 ] - [ 0.0008639800000000, 0.0001581200000000, -0.0000519400000000 ] - [ 0.0000831400000000, -0.0001840300000000, -0.0000752400000000 ] - [ 0.0015865800000000, -0.0013895900000000, -0.0113970100000000 ] - [ -0.0001479400000000, -0.0002146700000000, -0.0000112300000000 ] - [ 0.0002718300000000, -0.0005544400000000, -0.0003437300000000 ] - [ 0.0004998600000000, -0.0007684700000000, -0.0003228500000000 ] - [ 0.0007322500000000, -0.0006102900000000, 0.0016604200000000 ] - [ 0.0692527100000000, 0.0136196500000000, 0.0689939800000000 ] - [ 0.0003771800000000, -0.0005375500000000, 0.0002396500000000 ] - [ 0.0004373900000000, -0.0003123400000000, 0.0000999400000000 ] - [ -0.0001451900000000, -0.0005142900000000, 0.0001992900000000 ] - [ -0.0006460900000000, 0.0005954600000000, 0.0003518400000000 ] - [ -0.0000279200000000, -0.0002996500000000, -0.0006452500000000 ] - [ -0.0001964700000000, 0.0003006800000000, -0.0005822800000000 ] - [ 0.0000580100000000, 0.0003933900000000, -0.0004052200000000 ] - [ -0.0003180100000000, -0.0002327800000000, 0.0001193800000000 ] - [ -0.0003233900000000, -0.0011024200000000, 0.0003902900000000 ] - [ -0.0006758700000000, 0.0001937000000000, -0.0005737200000000 ] - [ -0.0013903600000000, 0.0007868600000000, -0.0113260700000000 ] - [ 0.0004678900000000, -0.0000400000000000, -0.0005510000000000 ] - [ -0.0000495700000000, -0.0000470600000000, -0.0004529700000000 ] - [ -0.0000796600000000, -0.0008520500000000, -0.0018133800000000 ] - [ -0.0003052900000000, 0.0003307900000000, 0.0002218100000000 ] - [ -0.0004444200000000, -0.0000699900000000, -0.0006441200000000 ] - [ 0.0005331600000000, -0.0003380500000000, -0.0012309000000000 ] - [ 0.0006135600000000, 0.0000472100000000, -0.0001688600000000 ] - [ 0.0000989800000000, 0.0003520400000000, -0.0007113200000000 ] - [ -0.0007259600000000, 0.0004821700000000, -0.0008095100000000 ] - [ -0.0004220500000000, 0.0003253100000000, 0.0008324500000000 ] - [ 0.0002889900000000, 0.0001384600000000, 0.0000623900000000 ] - [ 0.0004803800000000, 0.0000849200000000, 0.0000972700000000 ] - [ 0.0006270000000000, -0.0015744400000000, 0.0030776400000000 ] - [ -0.0003319400000000, 0.0002363700000000, 0.0000162300000000 ] - [ 0.0001152400000000, -0.0000540800000000, -0.0000340300000000 ] - [ -0.0000266700000000, 0.0001257800000000, -0.0001229300000000 ] - [ 0.0000526700000000, 0.0002770400000000, -0.0001632200000000 ] - [ -0.0004548100000000, 0.0000530500000000, -0.0000065200000000 ] - [ -0.0400128900000000, -0.0364872100000000, -0.1166990200000000 ] - [ -0.0002672800000000, 0.0002394200000000, 0.0000750300000000 ] - [ 0.0004368700000000, -0.0006601200000000, 0.0003233700000000 ] - [ -0.0005040900000000, 0.0004412400000000, -0.0002332400000000 ] - [ 0.0004492600000000, -0.0006055600000000, 0.0002762700000000 ] - [ 0.0000419800000000, 0.0005324300000000, 0.0000577600000000 ] - [ 0.0011078000000000, 0.0002203100000000, -0.0002201900000000 ] - [ -0.0000649000000000, 0.0001110500000000, -0.0000834200000000 ] - [ -0.0000503100000000, -0.0000480700000000, -0.0000520500000000 ] - [ 0.0000712700000000, 0.0001948100000000, -0.0002288000000000 ] - [ 0.0001821000000000, -0.0001848900000000, -0.0001559400000000 ] - [ 0.0002310300000000, -0.0002662000000000, 0.0000499600000000 ] - [ 0.0002446900000000, 0.0000489000000000, -0.0000770900000000 ] - [ -0.0000418400000000, 0.0001558300000000, 0.0000227000000000 ] - [ 0.0001498700000000, -0.0001232000000000, 0.0006870700000000 ] - [ -0.0000152800000000, -0.0000429500000000, 0.0000020000000000 ] - [ -0.0005526500000000, 0.0003258600000000, -0.0004356000000000 ] - [ 0.0001219000000000, -0.0001413700000000, 0.0000571900000000 ] - [ -0.0004258500000000, -0.0001740900000000, -0.0004001200000000 ] - [ 0.0019419600000000, -0.0023365200000000, -0.0039635300000000 ] - [ 0.0000029800000000, 0.0002804200000000, 0.0000128100000000 ] - [ 0.0000218900000000, 0.0010042200000000, -0.0000771800000000 ] - [ -0.0000801700000000, 0.0000550700000000, -0.0007857700000000 ] - [ -0.0002876100000000, -0.0001382600000000, 0.0001623500000000 ] - [ -0.0002573800000000, -0.0001186500000000, 0.0000091900000000 ] - [ 0.0004383200000000, -0.0003455400000000, 0.0001275100000000 ] - [ 0.0001724500000000, 0.0010817300000000, -0.0005243200000000 ] - [ -0.0001564300000000, -0.0000616800000000, 0.0000335500000000 ] - [ -0.0011564400000000, 0.0008294800000000, 0.0028252800000000 ] - [ -0.0001320500000000, 0.0002082300000000, 0.0000568700000000 ] - [ 0.0041126200000000, 0.0033681000000000, -0.0074668800000000 ] - [ -0.0000326600000000, 0.0006216200000000, 0.0003995100000000 ] - [ -0.0002202100000000, -0.0004356900000000, -0.0001725200000000 ] - [ 0.0028819600000000, 0.0011729300000000, -0.0038754300000000 ] - [ -0.0003573200000000, 0.0003536000000000, 0.0001059000000000 ] - [ -0.0002874300000000, -0.0003131000000000, 0.0001499600000000 ] - [ -0.0000975900000000, -0.0002752800000000, 0.0001364900000000 ] - [ -0.0000855100000000, 0.0000933100000000, 0.0000723200000000 ] - [ 0.0003140500000000, 0.0004769600000000, 0.0000124300000000 ] - [ 0.0000821600000000, -0.0000041700000000, 0.0008161100000000 ] - [ 0.0004200100000000, -0.0001289200000000, -0.0001830700000000 ] - [ 0.0000419200000000, -0.0000441800000000, -0.0000136700000000 ] - [ -0.0000739000000000, 0.0000829200000000, -0.0001820100000000 ] - [ 0.0008800700000000, 0.0000356500000000, 0.0000576900000000 ] - [ 0.0177256200000000, -0.0001930200000000, 0.0209446700000000 ] - [ 0.0003810000000000, -0.0002754400000000, 0.0000439200000000 ] - [ -0.0003033600000000, -0.0006205600000000, -0.0000527000000000 ] - [ 0.0000473300000000, -0.0004411700000000, -0.0000443500000000 ] - [ -0.0002770300000000, 0.0002851000000000, 0.0001277200000000 ] - [ 0.0002712000000000, 0.0003765300000000, -0.0000389800000000 ] - [ -0.0000470000000000, -0.0003659600000000, -0.0009362600000000 ] - [ -0.0006819100000000, -0.0002744300000000, 0.0000543300000000 ] - [ 0.0005792800000000, 0.0011919100000000, 0.0010093300000000 ] - [ -0.0001465200000000, -0.0000209200000000, -0.0000404800000000 ] - [ 0.0001262500000000, 0.0000077900000000, 0.0000406200000000 ] - [ 0.0001420800000000, -0.0001754800000000, -0.0000308500000000 ] - [ -0.0001511000000000, 0.0000386700000000, -0.0002141600000000 ] - [ -0.0006997200000000, -0.0012804200000000, 0.0036738600000000 ] - [ -0.0000060600000000, -0.0000407900000000, 0.0008657600000000 ] - [ -0.0000802000000000, 0.0002444500000000, 0.0000426500000000 ] - [ -0.0003475800000000, 0.0000617400000000, 0.0003181500000000 ] - [ 0.0001559700000000, 0.0001066700000000, 0.0000049200000000 ] - [ -0.0004371100000000, 0.0003112800000000, -0.0000852900000000 ] - [ -0.0002200600000000, 0.0000303500000000, -0.0001139000000000 ] - [ 0.0000129100000000, -0.0002136900000000, -0.0001781600000000 ] - [ 0.0004405700000000, -0.0000691000000000, 0.0001405300000000 ] - [ -0.0000196500000000, 0.0003914700000000, 0.0001228800000000 ] - [ 0.0001466200000000, 0.0004512700000000, 0.0001534900000000 ] - [ -0.0004137100000000, -0.0002636800000000, 0.0003468300000000 ] - [ -0.0096108300000000, 0.0023081700000000, 0.0148687600000000 ] - [ -0.0002931200000000, -0.0000897700000000, -0.0000221000000000 ] - [ 0.0001398400000000, -0.0002779500000000, -0.0002061800000000 ] - [ 0.0004311800000000, 0.0004543600000000, -0.0000478600000000 ] - [ 0.0000257200000000, -0.0000918700000000, -0.0001435500000000 ] - [ 0.0000173100000000, 0.0001533900000000, -0.0008297900000000 ] - [ -0.0000405000000000, 0.0003352000000000, -0.0000132600000000 ] - [ 0.0000415600000000, 0.0003000900000000, 0.0002479900000000 ] - [ 0.0002244500000000, -0.0002267700000000, -0.0000618300000000 ] - [ -0.0001391600000000, 0.0002524800000000, -0.0000652500000000 ] - [ 0.0001439900000000, -0.0000320900000000, 0.0006638500000000 ] - [ -0.0000876500000000, -0.0000349200000000, -0.0001603700000000 ] - [ -0.0001010500000000, -0.0003094600000000, -0.0001510300000000 ] - [ -0.0064701400000000, 0.0020868700000000, -0.0063430600000000 ] - [ 0.0001007700000000, 0.0002130000000000, 0.0008230500000000 ] - [ 0.0006913100000000, 0.0011135700000000, 0.0018714500000000 ] - [ 0.0007438100000000, -0.0004084300000000, -0.0003688000000000 ] - [ -0.0000347200000000, 0.0006283500000000, 0.0054337700000000 ] - [ -0.0007087200000000, 0.0000961600000000, -0.0006463700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000058500000000, 0.0001481300000000, 0.0001254800000000 ] - [ 0.0000332100000000, 0.0000131900000000, 0.0000950500000000 ] - [ 0.0000431400000000, 0.0001169100000000, 0.0002229500000000 ] - [ 0.0002378500000000, -0.0032076600000000, 0.0017341900000000 ] - [ -0.0001578400000000, -0.0001098300000000, 0.0000240900000000 ] - [ 0.0000388700000000, -0.0000343800000000, 0.0002647700000000 ] - [ -0.0002497700000000, -0.0001359000000000, 0.0002842900000000 ] - [ 0.0000291700000000, 0.0000712900000000, 0.0001047700000000 ] - [ 0.0000520000000000, 0.0000098700000000, 0.0000322300000000 ] - [ 0.0000222400000000, -0.0000559300000000, 0.0002240400000000 ] - [ 0.0001994000000000, 0.0001267700000000, 0.0000104700000000 ] - [ 0.0001403600000000, 0.0000533100000000, 0.0000520500000000 ] - [ -0.0000012100000000, 0.0000438700000000, 0.0000308800000000 ] - [ 0.0000127100000000, -0.0000407200000000, 0.0001257300000000 ] - [ -0.0004039100000000, -0.0000744000000000, 0.0000603200000000 ] - [ 0.0000129300000000, 0.0001149300000000, 0.0002326900000000 ] - [ -0.0004932600000000, -0.0027407900000000, 0.0005570000000000 ] - [ 0.0000709900000000, -0.0000188300000000, 0.0001004800000000 ] - [ 0.0005039200000000, 0.0000364300000000, 0.0003535000000000 ] - [ -0.0002789000000000, -0.0030329300000000, -0.0042187800000000 ] - [ 0.0001528600000000, 0.0000374300000000, 0.0000201200000000 ] - [ 0.0010724600000000, 0.0000629400000000, -0.0002692100000000 ] - [ 0.0000122700000000, -0.0002757300000000, -0.0000447000000000 ] - [ -0.0003219700000000, 0.0013834500000000, 0.0001879300000000 ] - [ 0.0001332800000000, -0.0000988900000000, -0.0010388800000000 ] - [ -0.0004059100000000, -0.0005075300000000, 0.0003817000000000 ] - [ 0.0006089600000000, -0.0005637200000000, -0.0000638000000000 ] - [ 0.0008679600000000, 0.0002042400000000, -0.0002432100000000 ] - [ -0.0000082000000000, -0.0000407200000000, 0.0003761200000000 ] - [ -0.0002865400000000, -0.0010834900000000, -0.0002788700000000 ] - [ -0.0013656500000000, 0.0007748700000000, 0.0000583600000000 ] - [ 0.0000862400000000, -0.0000942400000000, 0.0004562700000000 ] - [ -0.0004731500000000, 0.0000931900000000, 0.0009031800000000 ] - [ -0.0004521700000000, 0.0004836100000000, -0.0002613700000000 ] - [ 0.0001794100000000, 0.0009244000000000, -0.0000587700000000 ] - [ -0.0000987600000000, 0.0006556700000000, -0.0017734500000000 ] - [ -0.0001158200000000, 0.0001474600000000, 0.0005766000000000 ] - [ -0.0005132500000000, 0.0005489700000000, -0.0000485600000000 ] - [ 0.0000926600000000, 0.0001772200000000, 0.0003938800000000 ] - [ -0.0007440700000000, 0.0008423600000000, -0.0004765900000000 ] - [ 0.0002028100000000, 0.0000758000000000, -0.0000559000000000 ] - [ -0.0002748300000000, -0.0004701300000000, -0.0002337600000000 ] - [ 0.0405703500000000, -0.0116299300000000, -0.0356312100000000 ] - [ 0.0007367600000000, 0.0004124800000000, -0.0000506300000000 ] - [ 0.0003479300000000, 0.0002438500000000, 0.0000321000000000 ] - [ -0.0014390500000000, 0.0026807300000000, 0.0109012500000000 ] - [ -0.0000313000000000, -0.0002021900000000, -0.0000258400000000 ] - [ 0.0007778600000000, -0.0002022300000000, -0.0001574200000000 ] - [ -0.0002223100000000, -0.0002724100000000, -0.0008079900000000 ] - [ 0.0009387900000000, 0.0010110900000000, -0.0010030900000000 ] - [ -0.0712151700000000, -0.0132889300000000, -0.0700553900000000 ] - [ 0.0007924700000000, -0.0007049800000000, 0.0004313900000000 ] - [ 0.0002208200000000, -0.0002456600000000, 0.0002612600000000 ] - [ -0.0000161700000000, -0.0003151900000000, 0.0001503500000000 ] - [ -0.0005257900000000, 0.0006479900000000, 0.0003173500000000 ] - [ 0.0007352000000000, 0.0001773000000000, -0.0006267400000000 ] - [ -0.0000752600000000, 0.0007308900000000, -0.0005544500000000 ] - [ 0.0001037300000000, 0.0004389500000000, 0.0007554800000000 ] - [ -0.0004584500000000, -0.0000570800000000, 0.0002294900000000 ] - [ -0.0001774800000000, -0.0005277700000000, 0.0002802600000000 ] - [ -0.0003815000000000, 0.0000861500000000, -0.0005633300000000 ] - [ 0.0006356800000000, -0.0015550000000000, 0.0101935500000000 ] - [ 0.0005875200000000, -0.0002387200000000, -0.0005878200000000 ] - [ -0.0003743800000000, -0.0005220500000000, -0.0008206700000000 ] - [ 0.0002939100000000, 0.0002127000000000, 0.0005344100000000 ] - [ -0.0003552400000000, 0.0002278700000000, 0.0001373400000000 ] - [ -0.0002736600000000, 0.0001866400000000, -0.0006212300000000 ] - [ -0.0000276100000000, 0.0019758400000000, 0.0019072100000000 ] - [ 0.0001356000000000, 0.0007298500000000, -0.0009587100000000 ] - [ 0.0003124000000000, 0.0002177100000000, -0.0005586200000000 ] - [ -0.0009170700000000, -0.0008729000000000, 0.0014958200000000 ] - [ 0.0012195100000000, -0.0000517100000000, -0.0005007500000000 ] - [ 0.0003264100000000, 0.0001570800000000, 0.0001171800000000 ] - [ 0.0002472300000000, 0.0002673800000000, 0.0001652900000000 ] - [ 0.0002466100000000, 0.0018407300000000, -0.0028101100000000 ] - [ -0.0004522200000000, 0.0002235100000000, 0.0000629000000000 ] - [ 0.0000537400000000, -0.0000994600000000, -0.0000084400000000 ] - [ 0.0002091600000000, 0.0001568300000000, -0.0000009100000000 ] - [ 0.0000098900000000, 0.0002140500000000, -0.0001735200000000 ] - [ -0.0006378400000000, -0.0000899500000000, 0.0000044900000000 ] - [ 0.0404978700000000, 0.0368357400000000, 0.1161941200000000 ] - [ -0.0002976300000000, 0.0001472100000000, 0.0001020900000000 ] - [ 0.0001832100000000, -0.0003157400000000, -0.0003009700000000 ] - [ -0.0008934000000000, 0.0004555300000000, -0.0004810800000000 ] - [ 0.0001173800000000, 0.0002157100000000, -0.0001018500000000 ] - [ -0.0000509300000000, 0.0003790900000000, 0.0000211100000000 ] - [ -0.0000001800000000, -0.0001765500000000, 0.0002152900000000 ] - [ -0.0000915900000000, 0.0001902600000000, -0.0000357200000000 ] - [ -0.0001332500000000, -0.0002329000000000, -0.0000672000000000 ] - [ 0.0000190600000000, 0.0001737900000000, -0.0002009600000000 ] - [ -0.0001330900000000, 0.0004103900000000, 0.0001156600000000 ] - [ -0.0000087100000000, -0.0002297300000000, 0.0000368200000000 ] - [ 0.0002897100000000, 0.0001279800000000, -0.0000574200000000 ] - [ 0.0002662600000000, -0.0000950400000000, -0.0000666300000000 ] - [ 0.0000060000000000, 0.0001512000000000, 0.0009341900000000 ] - [ -0.0000355600000000, -0.0001777000000000, -0.0000429300000000 ] - [ 0.0001748500000000, -0.0000377600000000, 0.0001082800000000 ] - [ 0.0003029700000000, -0.0002382800000000, -0.0001905200000000 ] - [ -0.0010480000000000, -0.0005881300000000, -0.0003115200000000 ] - [ -0.0021037500000000, 0.0018120000000000, 0.0038235600000000 ] - [ -0.0001175800000000, 0.0004360000000000, -0.0000551600000000 ] - [ 0.0001895700000000, -0.0001167900000000, 0.0003392600000000 ] - [ 0.0000292500000000, -0.0007387500000000, 0.0009716600000000 ] - [ -0.0003277200000000, -0.0001573400000000, 0.0000147400000000 ] - [ -0.0003081000000000, -0.0003676700000000, -0.0000587900000000 ] - [ 0.0002172600000000, -0.0002719000000000, 0.0001354100000000 ] - [ -0.0000903500000000, 0.0005745400000000, -0.0001922500000000 ] - [ -0.0001540400000000, -0.0003863100000000, 0.0000507500000000 ] - [ 0.0003711700000000, -0.0012903900000000, -0.0027504800000000 ] - [ -0.0003217800000000, -0.0003977500000000, -0.0003915400000000 ] - [ -0.0035778000000000, -0.0031171300000000, 0.0071789900000000 ] - [ 0.0003417600000000, -0.0001746900000000, -0.0003150200000000 ] - [ 0.0002276400000000, -0.0004736100000000, 0.0002496000000000 ] - [ -0.0023613000000000, -0.0012307500000000, 0.0039582900000000 ] - [ -0.0003102200000000, 0.0000892100000000, 0.0001522200000000 ] - [ -0.0004407200000000, -0.0000386600000000, 0.0001126100000000 ] - [ -0.0001150700000000, -0.0005948100000000, 0.0001302200000000 ] - [ -0.0000826900000000, 0.0000591600000000, -0.0001136200000000 ] - [ 0.0002228200000000, 0.0005038500000000, -0.0000116000000000 ] - [ 0.0000278200000000, -0.0001223300000000, 0.0008071100000000 ] - [ -0.0000848900000000, 0.0000671700000000, -0.0000846000000000 ] - [ -0.0001096700000000, -0.0000678800000000, 0.0000292000000000 ] - [ -0.0000211700000000, 0.0002110600000000, -0.0001030500000000 ] - [ 0.0005811000000000, 0.0007239100000000, -0.0007704800000000 ] - [ -0.0180991700000000, 0.0000877300000000, -0.0196050700000000 ] - [ 0.0004041900000000, -0.0001846100000000, 0.0000354100000000 ] - [ -0.0002275500000000, -0.0003608000000000, 0.0000540800000000 ] - [ 0.0000729400000000, -0.0002772700000000, 0.0000014200000000 ] - [ -0.0003762400000000, 0.0003306900000000, 0.0001353700000000 ] - [ 0.0005256900000000, 0.0000693000000000, 0.0001206200000000 ] - [ 0.0003276100000000, 0.0001038900000000, 0.0005145100000000 ] - [ 0.0010404000000000, 0.0003807900000000, -0.0004976300000000 ] - [ -0.0005190900000000, -0.0010321700000000, 0.0006015500000000 ] - [ -0.0000766100000000, -0.0000418400000000, -0.0000025800000000 ] - [ -0.0000586600000000, 0.0001027200000000, -0.0000255500000000 ] - [ 0.0000157300000000, -0.0001266300000000, -0.0000902300000000 ] - [ -0.0002125600000000, -0.0001463600000000, -0.0002129800000000 ] - [ 0.0007581400000000, 0.0011672700000000, -0.0036648700000000 ] - [ -0.0001477300000000, 0.0000126000000000, 0.0007503800000000 ] - [ -0.0001404200000000, 0.0002512000000000, 0.0000444800000000 ] - [ 0.0000656100000000, 0.0001971600000000, -0.0007665600000000 ] - [ -0.0000224800000000, -0.0001089700000000, 0.0000107200000000 ] - [ 0.0000949200000000, -0.0002950500000000, -0.0000421300000000 ] - [ -0.0001246800000000, 0.0000329800000000, -0.0001519100000000 ] - [ -0.0001018000000000, -0.0001551400000000, -0.0002542600000000 ] - [ 0.0002280500000000, -0.0003692500000000, 0.0001182900000000 ] - [ 0.0000702900000000, 0.0002908900000000, 0.0000518300000000 ] - [ 0.0000649800000000, -0.0002031200000000, -0.0004229300000000 ] - [ -0.0001357000000000, 0.0003166800000000, -0.0002625300000000 ] - [ 0.0101025800000000, -0.0023641800000000, -0.0151230800000000 ] - [ -0.0002394400000000, -0.0000876800000000, -0.0001128000000000 ] - [ -0.0001994500000000, -0.0002130400000000, -0.0001292000000000 ] - [ 0.0001377200000000, 0.0000370700000000, -0.0000021200000000 ] - [ 0.0000703100000000, -0.0002011200000000, -0.0001406500000000 ] - [ -0.0000920600000000, -0.0000352400000000, 0.0008459300000000 ] - [ 0.0001519100000000, 0.0002213200000000, -0.0001271000000000 ] - [ -0.0001771800000000, -0.0002986300000000, -0.0002326400000000 ] - [ 0.0001675800000000, -0.0000681600000000, -0.0002697500000000 ] - [ -0.0002859300000000, 0.0001271500000000, -0.0000683200000000 ] - [ 0.0005664800000000, -0.0002119200000000, -0.0007145100000000 ] - [ -0.0001242700000000, -0.0002166800000000, -0.0001115200000000 ] - [ 0.0000679000000000, -0.0004951600000000, 0.0004087700000000 ] - [ 0.0059246800000000, -0.0011294300000000, 0.0063596300000000 ] - [ -0.0002084900000000, -0.0000843300000000, 0.0008046100000000 ] - [ -0.0007846300000000, -0.0027846600000000, -0.0025905200000000 ] - [ 0.0006526500000000, -0.0004891900000000, -0.0003443300000000 ] - [ 0.0000663500000000, 0.0001692100000000, -0.0051621000000000 ] - [ -0.0001564300000000, -0.0003671500000000, 0.0009089000000000 ]- atom: 84 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0000115400000000, 0.0012653600000000, -0.0003021900000000 ] - [ -0.0003453400000000, -0.0002720900000000, 0.0000146000000000 ] - [ 0.0001831100000000, -0.0000868900000000, 0.0002484100000000 ] - [ -0.0010367800000000, -0.0000151500000000, 0.0004062700000000 ] - [ -0.0003120300000000, 0.0003352000000000, 0.0000063100000000 ] - [ 0.0004610900000000, -0.0000848600000000, 0.0001969200000000 ] - [ 0.0012313000000000, -0.0020215300000000, 0.0025536100000000 ] - [ 0.0007079100000000, 0.0011523400000000, 0.0005731500000000 ] - [ -0.0002301300000000, 0.0003428000000000, 0.0000905400000000 ] - [ -0.0001798400000000, 0.0003625900000000, 0.0002090700000000 ] - [ -0.0004665400000000, -0.0021534500000000, 0.0023563400000000 ] - [ -0.0002297300000000, 0.0004278700000000, 0.0000026700000000 ] - [ -0.0003110200000000, -0.0002018600000000, 0.0001063800000000 ] - [ -0.0001178500000000, 0.0012070500000000, -0.0005058200000000 ] - [ -0.0010697400000000, 0.0000595100000000, 0.0004735100000000 ] - [ 0.0000371100000000, -0.0020650700000000, -0.0010303700000000 ] - [ -0.0003721000000000, -0.0003891100000000, 0.0000833600000000 ] - [ 0.0000032800000000, 0.0014195000000000, 0.0009946800000000 ] - [ -0.0008765600000000, 0.0001867500000000, -0.0001047700000000 ] - [ -0.0004550700000000, -0.0002873700000000, 0.0001489400000000 ] - [ 0.0003306800000000, -0.0002544200000000, -0.0000016400000000 ] - [ 0.0015687100000000, -0.0016693500000000, -0.0012944600000000 ] - [ 0.0002626600000000, -0.0003830800000000, -0.0000023700000000 ] - [ -0.0010624200000000, 0.0002732500000000, -0.0002272100000000 ] - [ -0.0003079100000000, -0.0004617900000000, -0.0002214500000000 ] - [ -0.0015872700000000, 0.0002793000000000, 0.0001811100000000 ] - [ 0.0006324700000000, -0.0001262700000000, -0.0000393900000000 ] - [ -0.0003680700000000, 0.0015303000000000, -0.0006245900000000 ] - [ 0.0002440700000000, 0.0005971900000000, 0.0005026700000000 ] - [ -0.0012933400000000, -0.0006109700000000, 0.0000352700000000 ] - [ -0.0025315200000000, -0.0002792700000000, 0.0000945400000000 ] - [ -0.0097174800000000, 0.0024149900000000, -0.0030452100000000 ] - [ -0.0002503000000000, -0.0007070100000000, 0.0004305000000000 ] - [ -0.0005801400000000, 0.0015938200000000, -0.0001564100000000 ] - [ 0.0005683000000000, -0.0007104100000000, -0.0000331500000000 ] - [ -0.0007039200000000, 0.0006414700000000, 0.0014377800000000 ] - [ -0.0014101300000000, 0.0025171300000000, 0.0007077200000000 ] - [ -0.0019989500000000, -0.0005872900000000, -0.0005016900000000 ] - [ 0.0019536800000000, 0.0004070300000000, 0.0005365500000000 ] - [ 0.0007948600000000, -0.0018305000000000, 0.0002920700000000 ] - [ 0.0034369300000000, 0.0004580900000000, -0.0056899100000000 ] - [ 0.0061987400000000, 0.0008815600000000, 0.0026768500000000 ] - [ -0.0015070100000000, -0.0000695300000000, 0.0003438400000000 ] - [ 0.0007768500000000, -0.0002195700000000, -0.0001033700000000 ] - [ 0.0004757800000000, 0.0003380500000000, 0.0000121700000000 ] - [ -0.0030787400000000, -0.0020940200000000, -0.0003609900000000 ] - [ -0.0002325700000000, 0.0012415200000000, -0.0000475200000000 ] - [ 0.0333025100000000, -0.0387127200000000, 0.0042030500000000 ] - [ -0.0009565500000000, 0.0008893600000000, -0.0001225700000000 ] - [ -0.0003695700000000, 0.0001313600000000, 0.0003826800000000 ] - [ -0.0017710300000000, -0.0005075800000000, -0.0014325800000000 ] - [ 0.1395531700000000, -0.0721474500000000, 0.0685089000000000 ] - [ -0.0015554800000000, -0.0032625900000000, -0.0002387700000000 ] - [ 0.0002783900000000, -0.0013502000000000, 0.0003186400000000 ] - [ -0.0008085000000000, 0.0020421600000000, 0.0004600400000000 ] - [ 0.0066644400000000, -0.0025373000000000, -0.0063614700000000 ] - [ 0.0007823300000000, -0.0002978500000000, 0.0004201300000000 ] - [ -0.0012762600000000, 0.0005075100000000, 0.0001356500000000 ] - [ -0.0003172100000000, -0.0008700300000000, 0.0001604500000000 ] - [ 0.0002150700000000, -0.0003402400000000, 0.0003617500000000 ] - [ -0.0017523300000000, 0.0002614600000000, -0.0027896700000000 ] - [ -0.0026041300000000, -0.0006419100000000, -0.0006780800000000 ] - [ 0.0007266300000000, 0.0009629000000000, -0.0003024300000000 ] - [ 0.0018857200000000, -0.0000718000000000, -0.0006988700000000 ] - [ -0.0004177000000000, -0.0001507400000000, -0.0007195500000000 ] - [ -0.0006215900000000, 0.0006229600000000, 0.0002722500000000 ] - [ -0.0003691900000000, 0.0019362500000000, -0.0005340200000000 ] - [ -0.0093287400000000, 0.0006154700000000, 0.0022151500000000 ] - [ 0.0003111100000000, -0.0003881900000000, -0.0005428300000000 ] - [ -0.0021148800000000, 0.0028438400000000, -0.0013128000000000 ] - [ -0.0008440600000000, -0.0021050800000000, 0.0006775700000000 ] - [ -0.0012889200000000, -0.0000107600000000, 0.0001463400000000 ] - [ 0.0004205000000000, -0.0000145100000000, 0.0000572500000000 ] - [ 0.0013039700000000, -0.0007695900000000, 0.0005906100000000 ] - [ 0.0014176100000000, 0.0006419700000000, 0.0001138200000000 ] - [ 0.0004023100000000, 0.0010450600000000, 0.0002311000000000 ] - [ 0.0000878600000000, 0.0007108500000000, 0.0001308000000000 ] - [ 0.0006360100000000, -0.0006735300000000, -0.0005019400000000 ] - [ 0.0004653100000000, -0.0009189800000000, 0.0000059900000000 ] - [ -0.0007209200000000, -0.0005389200000000, 0.0000664900000000 ] - [ 0.0009740900000000, 0.0003608800000000, 0.0001774900000000 ] - [ -0.0004553900000000, 0.0006736700000000, -0.0000158400000000 ] - [ 0.0008071700000000, -0.0007919500000000, 0.0000831500000000 ] - [ -0.1998190000000000, 0.1509279700000000, -0.1027751500000000 ] - [ 0.0008664400000000, -0.0003092300000000, 0.0000638100000000 ] - [ -0.0007952500000000, 0.0008404000000000, -0.0001591200000000 ] - [ -0.0008387700000000, 0.0000842900000000, 0.0002835300000000 ] - [ -0.0002147300000000, -0.0001770000000000, -0.0002928000000000 ] - [ -0.0010205900000000, -0.0002050100000000, -0.0005211800000000 ] - [ 0.0001302100000000, -0.0004147800000000, -0.0002580300000000 ] - [ 0.0007159900000000, 0.0003852800000000, -0.0001273700000000 ] - [ 0.0305541800000000, -0.0101670400000000, 0.0063984200000000 ] - [ 0.0001297300000000, -0.0002099800000000, -0.0001044100000000 ] - [ 0.0017143200000000, 0.0006895900000000, -0.0002441200000000 ] - [ -0.0017283700000000, -0.0000774200000000, -0.0000410300000000 ] - [ 0.0001218200000000, 0.0005966300000000, 0.0000914400000000 ] - [ -0.0016601100000000, 0.0004039400000000, -0.0003164800000000 ] - [ 0.0013274400000000, -0.0006852400000000, -0.0000505100000000 ] - [ 0.0001791700000000, -0.0006101100000000, -0.0001117000000000 ] - [ 0.0009429200000000, -0.0005283300000000, -0.0001774400000000 ] - [ 0.0030351000000000, -0.0030943000000000, 0.0003221500000000 ] - [ 0.0007572000000000, -0.0006396500000000, 0.0000031100000000 ] - [ 0.0007376300000000, -0.0002296500000000, -0.0000343800000000 ] - [ 0.0003452000000000, 0.0006991700000000, 0.0005881500000000 ] - [ -0.0002783700000000, -0.0018067800000000, -0.0001688200000000 ] - [ 0.0003760000000000, -0.0006359200000000, 0.0010346400000000 ] - [ 0.0000193200000000, 0.0005196400000000, -0.0002821200000000 ] - [ -0.0005699000000000, -0.0003711500000000, -0.0000009600000000 ] - [ 0.0007731600000000, -0.0005236200000000, -0.0000531900000000 ] - [ -0.0002340800000000, -0.0001854300000000, -0.0001961100000000 ] - [ 0.0010195100000000, 0.0004854100000000, -0.0001894200000000 ] - [ 0.0033377600000000, -0.0017863100000000, 0.0004368900000000 ] - [ 0.0009399800000000, -0.0007652300000000, -0.0000207000000000 ] - [ 0.0010947100000000, 0.0002411100000000, 0.0001171900000000 ] - [ -0.0002913300000000, -0.0007318700000000, 0.0000038300000000 ] - [ -0.0012549300000000, -0.0014529300000000, -0.0002619800000000 ] - [ -0.0009480100000000, 0.0000594800000000, 0.0001794400000000 ] - [ 0.0004397600000000, -0.0002250100000000, 0.0000602100000000 ] - [ 0.0005364400000000, -0.0009042200000000, -0.0002136200000000 ] - [ 0.0000967700000000, -0.0007670300000000, 0.0007487500000000 ] - [ 0.0014385800000000, 0.0002090500000000, 0.0002108500000000 ] - [ 0.0000744500000000, -0.0011435500000000, 0.0000869200000000 ] - [ 0.0003242400000000, -0.0002039400000000, -0.0002412900000000 ] - [ -0.0008394500000000, 0.0027881900000000, -0.0007642800000000 ] - [ 0.0010427900000000, 0.0006762400000000, 0.0013798000000000 ] - [ 0.0002685000000000, -0.0008800400000000, 0.0000966800000000 ] - [ -0.0027088000000000, -0.0011827900000000, 0.0012073200000000 ] - [ -0.0005861500000000, -0.0005970100000000, 0.0002113400000000 ] - [ -0.0004109400000000, -0.0004793600000000, -0.0000370700000000 ] - [ 0.0002281100000000, 0.0006738800000000, 0.0000182000000000 ] - [ 0.0007592900000000, -0.0002312600000000, -0.0003233700000000 ] - [ 0.0019163400000000, 0.0000728000000000, -0.0025145200000000 ] - [ 0.0002429300000000, 0.0000623100000000, 0.0008145800000000 ] - [ 0.0000314000000000, 0.0000623400000000, -0.0000278000000000 ] - [ -0.0049342100000000, -0.0109844800000000, 0.0023811300000000 ] - [ 0.0020122500000000, -0.0005751400000000, 0.0032112500000000 ] - [ -0.0003248800000000, -0.0002108200000000, -0.0002840000000000 ] - [ 0.0002263000000000, 0.0014085700000000, -0.0002542700000000 ] - [ 0.0005535800000000, -0.0008530900000000, 0.0012932200000000 ] - [ -0.0001225200000000, -0.0002194300000000, 0.0000358800000000 ] - [ -0.0004339200000000, 0.0009726100000000, -0.0005859600000000 ] - [ -0.0002006800000000, -0.0005615200000000, 0.0000430100000000 ] - [ -0.0001054200000000, 0.0003257100000000, -0.0000891500000000 ] - [ -0.0001833000000000, 0.0001292900000000, -0.0001552700000000 ] - [ -0.0013909200000000, -0.0036144500000000, 0.0167063300000000 ] - [ -0.0040590000000000, 0.0035780600000000, -0.0003084300000000 ] - [ -0.0000009800000000, 0.0005656400000000, 0.0001228200000000 ] - [ 0.0010027400000000, 0.0002932400000000, -0.0000827600000000 ] - [ -0.0000496400000000, 0.0010261200000000, 0.0001441400000000 ] - [ 0.0009953300000000, 0.0000646600000000, 0.0000273200000000 ] - [ 0.0031108100000000, 0.0019670800000000, 0.0001288600000000 ] - [ -0.0039583100000000, 0.0025293800000000, 0.0016434300000000 ] - [ -0.0018872000000000, -0.0005522000000000, 0.0013020600000000 ] - [ 0.0003677000000000, 0.0014390400000000, -0.0002656100000000 ] - [ 0.0005056900000000, -0.0001263000000000, -0.0000454100000000 ] - [ -0.0000908800000000, 0.0007781300000000, -0.0000653400000000 ] - [ 0.0101094400000000, -0.0112841900000000, -0.0033819500000000 ] - [ 0.0018381000000000, -0.0005472900000000, -0.0002681600000000 ] - [ -0.0010099900000000, 0.0007532400000000, 0.0001023800000000 ] - [ 0.0006673900000000, 0.0000450600000000, -0.0000630600000000 ] - [ -0.0000851400000000, 0.0003779600000000, -0.0002587700000000 ] - [ 0.0001317100000000, -0.0002576200000000, 0.0001088900000000 ] - [ 0.0001257300000000, 0.0016017100000000, 0.0001522100000000 ] - [ -0.0024700700000000, -0.0061916300000000, 0.0106231100000000 ] - [ 0.0045080900000000, 0.0002908400000000, -0.0003385800000000 ] - [ 0.0010618100000000, -0.0013820400000000, -0.0005677600000000 ] - [ 0.0021718400000000, 0.0008623700000000, 0.0001493500000000 ] - [ -0.0003084000000000, 0.0005993900000000, 0.0000996200000000 ]- atom: 84 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0000694200000000, -0.0012377400000000, 0.0005260600000000 ] - [ 0.0003439500000000, 0.0002728600000000, 0.0001011600000000 ] - [ -0.0000630000000000, 0.0002444900000000, 0.0002112300000000 ] - [ 0.0009149600000000, -0.0001435700000000, 0.0000519000000000 ] - [ 0.0000090500000000, -0.0005257100000000, 0.0000279200000000 ] - [ -0.0002621600000000, 0.0000606200000000, 0.0002605500000000 ] - [ -0.0011952900000000, 0.0020396200000000, -0.0024642600000000 ] - [ -0.0006396900000000, -0.0011872300000000, -0.0003508700000000 ] - [ 0.0002304300000000, -0.0003463900000000, 0.0000240900000000 ] - [ 0.0002590100000000, -0.0005452400000000, 0.0002492300000000 ] - [ 0.0007565900000000, 0.0023583300000000, -0.0023346800000000 ] - [ 0.0002326800000000, -0.0004299800000000, 0.0000626800000000 ] - [ 0.0003107700000000, 0.0002036900000000, 0.0000093300000000 ] - [ 0.0000547400000000, -0.0012448300000000, 0.0007297900000000 ] - [ 0.0008747500000000, -0.0000361400000000, -0.0000179200000000 ] - [ -0.0001284900000000, 0.0022581800000000, 0.0014916600000000 ] - [ 0.0003767500000000, 0.0003182500000000, 0.0001402700000000 ] - [ 0.0000497400000000, -0.0013880500000000, -0.0007758900000000 ] - [ 0.0008631900000000, 0.0001723200000000, 0.0001402300000000 ] - [ 0.0004506700000000, 0.0003543700000000, 0.0000752100000000 ] - [ -0.0000153600000000, 0.0000827900000000, 0.0000362800000000 ] - [ -0.0014988800000000, 0.0017077300000000, 0.0014314700000000 ] - [ -0.0002520200000000, 0.0000242400000000, 0.0000364900000000 ] - [ 0.0007448100000000, -0.0001011200000000, 0.0002620100000000 ] - [ 0.0001450300000000, -0.0008290800000000, -0.0002792300000000 ] - [ 0.0013145100000000, 0.0000517400000000, -0.0002325400000000 ] - [ 0.0006521100000000, -0.0010019600000000, -0.0000702100000000 ] - [ 0.0015559700000000, -0.0010196500000000, 0.0001288200000000 ] - [ -0.0002694000000000, -0.0005600400000000, 0.0003002900000000 ] - [ 0.0009490500000000, -0.0010515500000000, -0.0001442400000000 ] - [ 0.0009134700000000, -0.0002572800000000, -0.0001991900000000 ] - [ 0.0097855300000000, -0.0024643700000000, 0.0038798300000000 ] - [ 0.0002047600000000, 0.0007045400000000, 0.0003741400000000 ] - [ -0.0004594100000000, -0.0008162700000000, -0.0003411200000000 ] - [ -0.0002389500000000, 0.0023832900000000, -0.0000720100000000 ] - [ 0.0002962800000000, -0.0007188600000000, -0.0014775100000000 ] - [ 0.0014195600000000, -0.0024715700000000, 0.0000917200000000 ] - [ 0.0007131700000000, 0.0017231600000000, 0.0003947500000000 ] - [ -0.0019694900000000, -0.0004568000000000, 0.0002711900000000 ] - [ -0.0005173100000000, 0.0014904100000000, -0.0003404500000000 ] - [ -0.0032813800000000, -0.0000231800000000, 0.0056237000000000 ] - [ -0.0073651000000000, -0.0013777000000000, -0.0031671000000000 ] - [ 0.0015520000000000, 0.0000695600000000, 0.0004603300000000 ] - [ 0.0008417400000000, 0.0007572600000000, -0.0000004700000000 ] - [ -0.0000534200000000, -0.0002687700000000, -0.0000552400000000 ] - [ 0.0032303000000000, 0.0033715300000000, -0.0001408500000000 ] - [ 0.0000762700000000, -0.0016600200000000, 0.0000072200000000 ] - [ -0.0325495200000000, 0.0374978800000000, -0.0045873100000000 ] - [ 0.0012200600000000, -0.0019247500000000, -0.0010122900000000 ] - [ 0.0020200300000000, 0.0002227200000000, 0.0002918400000000 ] - [ 0.0015775500000000, 0.0011417600000000, 0.0001540000000000 ] - [ -0.1430595500000000, 0.0755436900000000, -0.0721622200000000 ] - [ 0.0022427700000000, 0.0027622500000000, 0.0006075900000000 ] - [ -0.0004097700000000, 0.0005199700000000, 0.0000359400000000 ] - [ -0.0003376500000000, -0.0008063100000000, 0.0002098400000000 ] - [ -0.0059592500000000, 0.0024016300000000, 0.0051349200000000 ] - [ -0.0010635700000000, 0.0012749800000000, -0.0015315300000000 ] - [ 0.0013982400000000, 0.0003273400000000, 0.0002195500000000 ] - [ -0.0004471000000000, 0.0005430900000000, 0.0001919800000000 ] - [ -0.0007220400000000, -0.0012693600000000, 0.0003118800000000 ] - [ 0.0006875900000000, 0.0000288800000000, 0.0016651700000000 ] - [ 0.0018533000000000, -0.0001189200000000, -0.0004602000000000 ] - [ 0.0003184300000000, -0.0012499400000000, -0.0008351200000000 ] - [ -0.0023114700000000, -0.0004705100000000, -0.0005714000000000 ] - [ 0.0006090900000000, -0.0004866100000000, -0.0005565500000000 ] - [ -0.0000639800000000, -0.0000970100000000, 0.0000922000000000 ] - [ -0.0003297000000000, -0.0017973500000000, -0.0007339000000000 ] - [ 0.0098410900000000, 0.0010158700000000, -0.0015349700000000 ] - [ 0.0004379100000000, 0.0011457400000000, -0.0005947100000000 ] - [ 0.0025538400000000, -0.0023120200000000, 0.0000469100000000 ] - [ -0.0008026100000000, 0.0017423800000000, -0.0000027300000000 ] - [ 0.0020511300000000, 0.0003385400000000, 0.0002054100000000 ] - [ 0.0001861200000000, 0.0003246000000000, 0.0001113300000000 ] - [ -0.0005898600000000, 0.0011288800000000, -0.0003465000000000 ] - [ -0.0005561500000000, -0.0003668900000000, 0.0001329500000000 ] - [ -0.0011892700000000, -0.0006138400000000, -0.0001747400000000 ] - [ 0.0000631300000000, -0.0008663100000000, -0.0001767700000000 ] - [ -0.0004477200000000, 0.0009530800000000, 0.0003859700000000 ] - [ -0.0003964600000000, 0.0014052200000000, -0.0003444800000000 ] - [ -0.0003820500000000, 0.0004906900000000, -0.0000549500000000 ] - [ -0.0016898500000000, -0.0001050400000000, -0.0002099100000000 ] - [ -0.0001134900000000, -0.0003043500000000, 0.0001781900000000 ] - [ -0.0001801300000000, -0.0001796400000000, -0.0000518100000000 ] - [ 0.2037457800000000, -0.1545010600000000, 0.1064142500000000 ] - [ -0.0002935900000000, -0.0000604300000000, 0.0001009200000000 ] - [ 0.0007830000000000, 0.0000732300000000, 0.0002157100000000 ] - [ 0.0019238000000000, -0.0000364200000000, -0.0002798000000000 ] - [ 0.0000630800000000, 0.0004820900000000, 0.0001734800000000 ] - [ 0.0008364500000000, -0.0000646000000000, 0.0003871200000000 ] - [ -0.0000460400000000, 0.0008018500000000, -0.0001811600000000 ] - [ -0.0006579500000000, -0.0001880700000000, 0.0000843600000000 ] - [ -0.0309409500000000, 0.0098488600000000, -0.0063779800000000 ] - [ 0.0004185100000000, 0.0003987800000000, -0.0000172600000000 ] - [ -0.0015104400000000, -0.0006504800000000, 0.0001985000000000 ] - [ 0.0018719000000000, 0.0000871800000000, 0.0016430700000000 ] - [ -0.0001765400000000, -0.0007998400000000, -0.0001334600000000 ] - [ 0.0012781200000000, -0.0001077000000000, -0.0000139100000000 ] - [ -0.0008885700000000, 0.0002964500000000, -0.0000666600000000 ] - [ -0.0016493400000000, -0.0001350100000000, -0.0005891200000000 ] - [ -0.0010579800000000, -0.0000435800000000, 0.0000539700000000 ] - [ -0.0031696700000000, 0.0038451900000000, -0.0003464300000000 ] - [ -0.0005638400000000, 0.0015196100000000, 0.0002427100000000 ] - [ -0.0007713900000000, -0.0004524800000000, 0.0001993800000000 ] - [ -0.0009493700000000, -0.0010166300000000, -0.0004246700000000 ] - [ -0.0002964800000000, 0.0013202200000000, 0.0001408600000000 ] - [ 0.0003055400000000, 0.0000240300000000, -0.0007851300000000 ] - [ 0.0000710700000000, 0.0011301700000000, -0.0004182600000000 ] - [ 0.0002477200000000, -0.0000799400000000, 0.0001104400000000 ] - [ -0.0015529800000000, 0.0000599500000000, 0.0001148000000000 ] - [ -0.0002179400000000, 0.0000077900000000, -0.0001394800000000 ] - [ -0.0005705700000000, -0.0003044500000000, -0.0001453900000000 ] - [ -0.0030184800000000, 0.0022377800000000, -0.0003267300000000 ] - [ -0.0009088100000000, -0.0001382100000000, 0.0000784200000000 ] - [ -0.0005397100000000, -0.0002939600000000, -0.0000068200000000 ] - [ -0.0003730700000000, 0.0011548900000000, 0.0002344500000000 ] - [ 0.0005422400000000, 0.0010918600000000, 0.0005045300000000 ] - [ 0.0007436500000000, -0.0009127100000000, 0.0000643000000000 ] - [ -0.0005867000000000, 0.0003741800000000, -0.0001028200000000 ] - [ -0.0000122600000000, 0.0019040500000000, 0.0002312000000000 ] - [ -0.0000072500000000, 0.0006446100000000, 0.0008639800000000 ] - [ -0.0010916600000000, -0.0002802900000000, -0.0004741500000000 ] - [ -0.0001472200000000, 0.0010314900000000, -0.0000686700000000 ] - [ -0.0004166400000000, 0.0005018800000000, -0.0000384900000000 ] - [ 0.0023003100000000, -0.0020345400000000, 0.0000653600000000 ] - [ -0.0011027900000000, -0.0008111100000000, 0.0002286700000000 ] - [ 0.0005219300000000, 0.0004443700000000, -0.0000383300000000 ] - [ 0.0021812500000000, 0.0001852800000000, -0.0011896100000000 ] - [ 0.0007018400000000, -0.0001276900000000, -0.0002344600000000 ] - [ -0.0002534200000000, 0.0010862200000000, 0.0002804100000000 ] - [ 0.0005492900000000, -0.0002086200000000, 0.0000418000000000 ] - [ -0.0004645400000000, -0.0000340200000000, -0.0001175800000000 ] - [ -0.0015436400000000, 0.0000456400000000, 0.0020694900000000 ] - [ -0.0001822900000000, 0.0000746000000000, 0.0007891600000000 ] - [ -0.0002408300000000, -0.0001086900000000, -0.0000170700000000 ] - [ 0.0050853400000000, 0.0111130400000000, -0.0023862600000000 ] - [ -0.0018660400000000, 0.0002724400000000, -0.0033631800000000 ] - [ -0.0000530000000000, 0.0000934800000000, -0.0001576700000000 ] - [ -0.0001513500000000, -0.0015354600000000, 0.0002718000000000 ] - [ -0.0006983100000000, 0.0008419100000000, 0.0003076400000000 ] - [ -0.0001001800000000, 0.0007283800000000, 0.0000767100000000 ] - [ 0.0001359900000000, -0.0007039600000000, 0.0001422600000000 ] - [ 0.0003356300000000, 0.0005572300000000, -0.0000252700000000 ] - [ -0.0002339800000000, -0.0003041900000000, -0.0000335700000000 ] - [ -0.0001640000000000, -0.0000597400000000, -0.0001078400000000 ] - [ 0.0014028500000000, 0.0032246500000000, -0.0171698100000000 ] - [ 0.0047642400000000, -0.0038878100000000, 0.0005433700000000 ] - [ 0.0000338600000000, 0.0001153800000000, 0.0000418100000000 ] - [ -0.0007858300000000, -0.0000414800000000, -0.0001833200000000 ] - [ -0.0005055600000000, -0.0009700600000000, -0.0000344600000000 ] - [ -0.0006559600000000, -0.0000847100000000, -0.0001480600000000 ] - [ -0.0036865500000000, -0.0021707800000000, -0.0002497200000000 ] - [ 0.0038926500000000, -0.0030159500000000, -0.0019906900000000 ] - [ 0.0024596800000000, 0.0010432700000000, -0.0013342300000000 ] - [ -0.0002693700000000, -0.0017507600000000, -0.0000112800000000 ] - [ -0.0005821200000000, 0.0002609300000000, 0.0000658100000000 ] - [ 0.0002062600000000, -0.0002053800000000, -0.0000575700000000 ] - [ -0.0102284500000000, 0.0111685600000000, 0.0033662500000000 ] - [ -0.0014716700000000, 0.0002498900000000, -0.0000647700000000 ] - [ 0.0005773900000000, -0.0003644800000000, -0.0002198600000000 ] - [ 0.0000475300000000, -0.0002979200000000, 0.0000298900000000 ] - [ -0.0001310100000000, -0.0006299300000000, -0.0000084200000000 ] - [ -0.0001507200000000, -0.0005347600000000, 0.0001339700000000 ] - [ -0.0007571800000000, -0.0006252700000000, -0.0001170100000000 ] - [ 0.0023247400000000, 0.0063052700000000, -0.0090265000000000 ] - [ -0.0045776100000000, -0.0019451100000000, -0.0003636100000000 ] - [ 0.0003184900000000, 0.0004834500000000, -0.0001318600000000 ] - [ -0.0021498000000000, -0.0000687200000000, 0.0000924700000000 ] - [ -0.0005506900000000, -0.0008692800000000, 0.0001457900000000 ]- atom: 84 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0008045100000000, -0.0018569400000000, 0.0008012500000000 ] - [ 0.0000754000000000, 0.0000872100000000, 0.0000766000000000 ] - [ -0.0004276600000000, -0.0004018100000000, 0.0003111800000000 ] - [ 0.0008810400000000, 0.0001094200000000, 0.0000550200000000 ] - [ 0.0002699700000000, -0.0008964800000000, 0.0000699100000000 ] - [ -0.0005486800000000, -0.0007484000000000, 0.0004877900000000 ] - [ -0.0025425100000000, 0.0036758900000000, -0.0001965000000000 ] - [ 0.0003568500000000, -0.0018077800000000, -0.0010685300000000 ] - [ 0.0004457000000000, -0.0006514100000000, 0.0000446400000000 ] - [ 0.0005280700000000, -0.0008594400000000, 0.0002418200000000 ] - [ -0.0012302500000000, 0.0027209500000000, -0.0006303800000000 ] - [ 0.0003974300000000, -0.0007135000000000, 0.0000413100000000 ] - [ -0.0000281000000000, 0.0000163300000000, 0.0000393600000000 ] - [ 0.0014034000000000, -0.0016580500000000, 0.0015680100000000 ] - [ 0.0007331100000000, 0.0001963300000000, 0.0000303400000000 ] - [ -0.0018329600000000, 0.0024716600000000, -0.0003050400000000 ] - [ -0.0000538900000000, 0.0001088600000000, 0.0000899000000000 ] - [ 0.0013006500000000, -0.0011978500000000, -0.0012493400000000 ] - [ 0.0007342900000000, 0.0003532700000000, 0.0001238600000000 ] - [ 0.0000131400000000, 0.0002263500000000, 0.0001176900000000 ] - [ -0.0003934400000000, -0.0006117000000000, -0.0001935900000000 ] - [ -0.0013488100000000, 0.0041902000000000, 0.0005852900000000 ] - [ -0.0005842700000000, -0.0007283200000000, -0.0001259900000000 ] - [ 0.0007710600000000, 0.0001726200000000, 0.0002788200000000 ] - [ -0.0003835500000000, -0.0015186300000000, -0.0003015300000000 ] - [ 0.0012404200000000, -0.0002310000000000, -0.0002584900000000 ] - [ 0.0001842900000000, -0.0020177500000000, -0.0001584400000000 ] - [ 0.0020176400000000, -0.0006956900000000, 0.0002065400000000 ] - [ 0.0002390600000000, -0.0019726400000000, 0.0000179100000000 ] - [ 0.0011075300000000, -0.0013935600000000, -0.0001247900000000 ] - [ 0.0003729600000000, 0.0000344900000000, -0.0001186400000000 ] - [ 0.0084938200000000, -0.0010922900000000, 0.0027731200000000 ] - [ -0.0009120900000000, -0.0006282500000000, 0.0004668100000000 ] - [ 0.0003500400000000, -0.0015336500000000, -0.0003882000000000 ] - [ -0.0026162000000000, 0.0018980800000000, 0.0002984500000000 ] - [ 0.0014457000000000, 0.0005939900000000, -0.0014978400000000 ] - [ 0.0021795700000000, -0.0026388400000000, 0.0000122200000000 ] - [ 0.0000943900000000, 0.0021780600000000, 0.0002113800000000 ] - [ -0.0024496700000000, -0.0013183500000000, 0.0017450100000000 ] - [ -0.0018390000000000, 0.0010092500000000, 0.0001263000000000 ] - [ -0.0021339800000000, 0.0028133700000000, 0.0064560800000000 ] - [ -0.0107689200000000, -0.0103131500000000, -0.0070053400000000 ] - [ 0.0009659900000000, 0.0003575300000000, 0.0004482400000000 ] - [ 0.0001502600000000, -0.0002596400000000, -0.0000151700000000 ] - [ 0.0004840100000000, -0.0026805100000000, 0.0001921400000000 ] - [ 0.0017817700000000, 0.0043169200000000, -0.0002012800000000 ] - [ 0.0014092100000000, -0.0023995600000000, -0.0000110500000000 ] - [ -0.0464145600000000, 0.1345831800000000, -0.0145821900000000 ] - [ 0.0018841900000000, -0.0020993900000000, -0.0010733400000000 ] - [ 0.0019979800000000, 0.0001003500000000, 0.0003472400000000 ] - [ 0.0002215100000000, 0.0026255600000000, -0.0000938700000000 ] - [ -0.1379693600000000, 0.1207301000000000, -0.0812744600000000 ] - [ 0.0010109200000000, 0.0033473100000000, 0.0002962900000000 ] - [ -0.0018560800000000, -0.0001220300000000, 0.0004563300000000 ] - [ 0.0007492100000000, -0.0013240600000000, 0.0001423000000000 ] - [ -0.0064343100000000, 0.0059008800000000, 0.0108646700000000 ] - [ -0.0044763800000000, -0.0077185100000000, 0.0025319400000000 ] - [ 0.0016753100000000, 0.0000654800000000, 0.0002188400000000 ] - [ -0.0012790400000000, -0.0008521100000000, 0.0001823700000000 ] - [ -0.0001243200000000, -0.0025640600000000, 0.0006478600000000 ] - [ 0.0014417500000000, 0.0013151600000000, 0.0015312500000000 ] - [ 0.0010987800000000, 0.0000725000000000, -0.0004629500000000 ] - [ 0.0019562000000000, -0.0039038600000000, -0.0013890800000000 ] - [ -0.0026436400000000, -0.0010602100000000, -0.0033079300000000 ] - [ -0.0000648400000000, -0.0016969100000000, -0.0005066000000000 ] - [ -0.0004022300000000, -0.0012019500000000, 0.0000269900000000 ] - [ 0.0007930900000000, -0.0026469300000000, -0.0008396600000000 ] - [ 0.0138387800000000, 0.0058858500000000, -0.0012311300000000 ] - [ -0.0004127100000000, -0.0000260100000000, -0.0004966800000000 ] - [ 0.0029660700000000, -0.0019921500000000, -0.0002289200000000 ] - [ -0.0049624900000000, -0.0001130800000000, 0.0015416400000000 ] - [ 0.0015196900000000, 0.0004559600000000, 0.0001890700000000 ] - [ 0.0002955600000000, 0.0007808600000000, 0.0001717400000000 ] - [ -0.0006772900000000, 0.0006162800000000, -0.0002650400000000 ] - [ -0.0002812300000000, -0.0002852900000000, 0.0001652400000000 ] - [ -0.0011111800000000, -0.0014491800000000, -0.0004156900000000 ] - [ 0.0006411600000000, -0.0009971800000000, -0.0003019300000000 ] - [ -0.0007684600000000, 0.0010024400000000, 0.0004502900000000 ] - [ -0.0012099000000000, 0.0021842800000000, -0.0004884900000000 ] - [ -0.0011780300000000, 0.0011131600000000, 0.0000654300000000 ] - [ -0.0009792100000000, -0.0003890500000000, -0.0001195800000000 ] - [ 0.0006354300000000, 0.0000351500000000, -0.0002103800000000 ] - [ -0.0001580400000000, 0.0002613300000000, -0.0001099700000000 ] - [ 0.2349783400000000, -0.3169825100000000, 0.1332700900000000 ] - [ -0.0003501000000000, 0.0000163000000000, 0.0000991900000000 ] - [ 0.0037974400000000, 0.0020157900000000, 0.0000552200000000 ] - [ 0.0004715500000000, -0.0020215200000000, -0.0017646600000000 ] - [ -0.0003716600000000, 0.0013373700000000, 0.0006680300000000 ] - [ 0.0014809500000000, 0.0016135800000000, -0.0023466800000000 ] - [ -0.0005301200000000, 0.0010947000000000, -0.0001321200000000 ] - [ -0.0005108000000000, -0.0001026600000000, 0.0000640100000000 ] - [ -0.0240549600000000, -0.0003378900000000, -0.0044720300000000 ] - [ 0.0005955500000000, 0.0013624700000000, -0.0000518200000000 ] - [ -0.0007607600000000, -0.0007129200000000, 0.0001268800000000 ] - [ 0.0018020500000000, 0.0018229200000000, 0.0049537000000000 ] - [ 0.0007846400000000, 0.0002019400000000, 0.0001013400000000 ] - [ 0.0020464900000000, 0.0003257900000000, 0.0005629700000000 ] - [ -0.0012580400000000, 0.0004597400000000, -0.0001027000000000 ] - [ -0.0017924600000000, -0.0000838300000000, -0.0006120300000000 ] - [ -0.0007435900000000, -0.0003302500000000, 0.0000438800000000 ] - [ -0.0030830600000000, 0.0026390900000000, -0.0003217400000000 ] - [ -0.0011737200000000, 0.0013490800000000, 0.0000505300000000 ] - [ -0.0005417600000000, -0.0005556500000000, 0.0001602700000000 ] - [ -0.0004024000000000, -0.0012500600000000, -0.0002356300000000 ] - [ -0.0008467600000000, 0.0016519800000000, 0.0002712600000000 ] - [ -0.0003935800000000, -0.0009017600000000, -0.0007631900000000 ] - [ 0.0001890900000000, 0.0019602800000000, -0.0006690400000000 ] - [ -0.0000111300000000, 0.0009317000000000, -0.0000809300000000 ] - [ -0.0011645000000000, -0.0002583300000000, 0.0000760400000000 ] - [ 0.0001513300000000, 0.0013754800000000, 0.0000576100000000 ] - [ -0.0006981400000000, -0.0014891600000000, 0.0001719700000000 ] - [ -0.0042045300000000, 0.0017065400000000, -0.0004027800000000 ] - [ -0.0012861400000000, -0.0001142200000000, 0.0001434600000000 ] - [ -0.0003629900000000, -0.0002742200000000, -0.0000098500000000 ] - [ -0.0007410200000000, 0.0013547000000000, 0.0002442000000000 ] - [ 0.0002128900000000, 0.0045300300000000, 0.0008759900000000 ] - [ -0.0004062000000000, 0.0034088000000000, -0.0002550400000000 ] - [ -0.0005999600000000, 0.0008437600000000, -0.0001942400000000 ] - [ -0.0004195100000000, 0.0018786400000000, 0.0002212200000000 ] - [ -0.0004824400000000, 0.0010822200000000, 0.0009124400000000 ] - [ -0.0006344300000000, -0.0004199700000000, -0.0003539600000000 ] - [ -0.0006321100000000, 0.0011499800000000, -0.0000251900000000 ] - [ -0.0005231700000000, 0.0009986700000000, 0.0000617500000000 ] - [ 0.0060866800000000, 0.0010163400000000, -0.0005647300000000 ] - [ -0.0003087000000000, -0.0011925100000000, 0.0004440700000000 ] - [ 0.0005491900000000, 0.0017955300000000, -0.0000846000000000 ] - [ 0.0012086500000000, -0.0011664400000000, -0.0007570400000000 ] - [ 0.0002740300000000, 0.0008290300000000, 0.0001371600000000 ] - [ -0.0015095100000000, 0.0019224500000000, 0.0004498600000000 ] - [ 0.0007975500000000, 0.0004833600000000, 0.0000789400000000 ] - [ -0.0004279100000000, 0.0000149800000000, -0.0001304400000000 ] - [ -0.0023050300000000, -0.0011971200000000, 0.0023943100000000 ] - [ 0.0000685400000000, 0.0004791700000000, 0.0008513200000000 ] - [ 0.0002337600000000, 0.0003237300000000, 0.0000549800000000 ] - [ -0.0092706900000000, 0.0310646000000000, -0.0100756400000000 ] - [ -0.0019435900000000, -0.0003309700000000, -0.0027566000000000 ] - [ -0.0001923100000000, 0.0008897200000000, -0.0005262600000000 ] - [ 0.0013788100000000, -0.0019129700000000, 0.0002441100000000 ] - [ -0.0011622600000000, 0.0006901100000000, 0.0004032600000000 ] - [ -0.0008616200000000, 0.0011474800000000, 0.0000617300000000 ] - [ 0.0010976500000000, -0.0000679900000000, -0.0007219100000000 ] - [ -0.0001858400000000, 0.0010363400000000, -0.0002039300000000 ] - [ 0.0002072700000000, 0.0002566800000000, -0.0001428200000000 ] - [ 0.0004004200000000, 0.0005586500000000, -0.0002684400000000 ] - [ -0.0023330400000000, -0.0055369200000000, -0.0162602900000000 ] - [ 0.0084262600000000, 0.0158039100000000, 0.0007207300000000 ] - [ 0.0003950000000000, 0.0006773000000000, 0.0001089100000000 ] - [ -0.0007076800000000, -0.0000061900000000, -0.0001738200000000 ] - [ 0.0009913600000000, 0.0006967000000000, -0.0000837400000000 ] - [ -0.0003481200000000, -0.0002056100000000, -0.0001424100000000 ] - [ -0.0032134400000000, -0.0025758200000000, -0.0001370700000000 ] - [ 0.0043209900000000, -0.0057303500000000, -0.0035542700000000 ] - [ 0.0025278500000000, 0.0008066300000000, -0.0020653200000000 ] - [ 0.0008918300000000, -0.0020193200000000, 0.0001886700000000 ] - [ -0.0004572600000000, 0.0005221000000000, 0.0001199100000000 ] - [ 0.0005386400000000, 0.0006522300000000, -0.0000024300000000 ] - [ -0.0178139100000000, 0.0101171500000000, 0.0048185900000000 ] - [ -0.0015879500000000, 0.0001748100000000, -0.0000044000000000 ] - [ 0.0016038100000000, -0.0000081100000000, -0.0003094900000000 ] - [ 0.0008332700000000, 0.0001921100000000, -0.0000281500000000 ] - [ 0.0005704100000000, 0.0001822800000000, -0.0002430900000000 ] - [ 0.0004893500000000, -0.0000504000000000, 0.0000148400000000 ] - [ 0.0004244000000000, -0.0010533700000000, -0.0004067100000000 ] - [ -0.0023888400000000, 0.0081863700000000, -0.0175135300000000 ] - [ -0.0038234600000000, -0.0048055600000000, -0.0010278500000000 ] - [ -0.0003020100000000, 0.0010982000000000, 0.0000793000000000 ] - [ -0.0014058700000000, -0.0003630300000000, 0.0000401700000000 ] - [ 0.0002434400000000, -0.0000112900000000, 0.0000773000000000 ]- atom: 84 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0008676800000000, 0.0018943400000000, -0.0005807400000000 ] - [ -0.0000775700000000, -0.0000887000000000, 0.0000423600000000 ] - [ 0.0005502500000000, 0.0005609700000000, 0.0001477000000000 ] - [ -0.0010049600000000, -0.0002684300000000, 0.0004029400000000 ] - [ -0.0005744900000000, 0.0007068800000000, -0.0000348800000000 ] - [ 0.0007440600000000, 0.0007246100000000, -0.0000282300000000 ] - [ 0.0025570700000000, -0.0036736400000000, 0.0003043100000000 ] - [ -0.0002934100000000, 0.0017822200000000, 0.0012987900000000 ] - [ -0.0004458600000000, 0.0006526400000000, 0.0000697400000000 ] - [ -0.0004521300000000, 0.0006794600000000, 0.0002161900000000 ] - [ 0.0015210400000000, -0.0025430200000000, 0.0006704800000000 ] - [ -0.0003959400000000, 0.0007161200000000, 0.0000230500000000 ] - [ 0.0000275900000000, -0.0000165900000000, 0.0000793900000000 ] - [ -0.0014560600000000, 0.0016261100000000, -0.0013360000000000 ] - [ -0.0009329300000000, -0.0001717100000000, 0.0004278300000000 ] - [ 0.0017514700000000, -0.0023070800000000, 0.0007620000000000 ] - [ 0.0000591000000000, -0.0001763100000000, 0.0001333800000000 ] - [ -0.0012411200000000, 0.0012387300000000, 0.0014673800000000 ] - [ -0.0007503600000000, 0.0000060900000000, -0.0000890300000000 ] - [ -0.0000148900000000, -0.0001590900000000, 0.0001059300000000 ] - [ 0.0007127500000000, 0.0004436100000000, 0.0002304900000000 ] - [ 0.0013501000000000, -0.0042102800000000, -0.0005297300000000 ] - [ 0.0005970500000000, 0.0003713900000000, 0.0001599600000000 ] - [ -0.0010914800000000, -0.0000055800000000, -0.0002437000000000 ] - [ 0.0002230500000000, 0.0002349600000000, -0.0001989200000000 ] - [ -0.0015177400000000, 0.0005679800000000, 0.0002084500000000 ] - [ 0.0010986100000000, 0.0008875000000000, 0.0000480300000000 ] - [ -0.0008310700000000, 0.0012183200000000, -0.0007038100000000 ] - [ -0.0002652600000000, 0.0020121100000000, 0.0007834600000000 ] - [ -0.0014569700000000, -0.0002713400000000, 0.0000160900000000 ] - [ -0.0019981300000000, -0.0005752100000000, 0.0000148600000000 ] - [ -0.0084950600000000, 0.0010580400000000, -0.0019704800000000 ] - [ 0.0008693800000000, 0.0006314900000000, 0.0003381700000000 ] - [ -0.0013936800000000, 0.0023174300000000, -0.0001088100000000 ] - [ 0.0029654100000000, -0.0002376700000000, -0.0004076500000000 ] - [ -0.0018622600000000, -0.0006852200000000, 0.0014605400000000 ] - [ -0.0021796500000000, 0.0026891600000000, 0.0007888900000000 ] - [ -0.0013854100000000, -0.0010536400000000, -0.0003210400000000 ] - [ 0.0024484700000000, 0.0012730700000000, -0.0009481200000000 ] - [ 0.0021190900000000, -0.0013382000000000, -0.0001759100000000 ] - [ 0.0022977300000000, -0.0023811500000000, -0.0065566200000000 ] - [ 0.0095233500000000, 0.0097884200000000, 0.0064647500000000 ] - [ -0.0009208700000000, -0.0003588700000000, 0.0003565700000000 ] - [ 0.0014693900000000, 0.0007989700000000, -0.0000884500000000 ] - [ -0.0000626200000000, 0.0027671100000000, -0.0002369700000000 ] - [ -0.0016203300000000, -0.0030400200000000, -0.0003021200000000 ] - [ -0.0015595700000000, 0.0019891300000000, -0.0000309400000000 ] - [ 0.0500632700000000, -0.1446966800000000, 0.0155605800000000 ] - [ -0.0016283300000000, 0.0010652000000000, -0.0000600000000000 ] - [ -0.0003507400000000, 0.0002586900000000, 0.0003279900000000 ] - [ -0.0004055100000000, -0.0020042000000000, -0.0011825300000000 ] - [ 0.1317288500000000, -0.1175992800000000, 0.0762454200000000 ] - [ -0.0003303100000000, -0.0038759600000000, 0.0000700600000000 ] - [ 0.0017350300000000, -0.0007140900000000, -0.0001031400000000 ] - [ -0.0018949300000000, 0.0025686000000000, 0.0005282300000000 ] - [ 0.0071781900000000, -0.0060902000000000, -0.0121719000000000 ] - [ 0.0042205000000000, 0.0087577300000000, -0.0036704300000000 ] - [ -0.0015594900000000, 0.0007646400000000, 0.0001362900000000 ] - [ 0.0005159800000000, 0.0005265700000000, 0.0001710900000000 ] - [ -0.0003828400000000, 0.0009644000000000, 0.0000233500000000 ] - [ -0.0025147900000000, -0.0010234600000000, -0.0026725500000000 ] - [ -0.0018501800000000, -0.0008331400000000, -0.0006754100000000 ] - [ -0.0009047600000000, 0.0036072700000000, 0.0002453400000000 ] - [ 0.0022100100000000, 0.0005365800000000, 0.0020278200000000 ] - [ 0.0002577900000000, 0.0010699500000000, -0.0007696500000000 ] - [ -0.0002844700000000, 0.0017279300000000, 0.0003372200000000 ] - [ -0.0014962900000000, 0.0027943200000000, -0.0004269700000000 ] - [ -0.0133903900000000, -0.0043235600000000, 0.0019104700000000 ] - [ 0.0011647300000000, 0.0007899300000000, -0.0006409800000000 ] - [ -0.0025371900000000, 0.0025470700000000, -0.0010441000000000 ] - [ 0.0033224400000000, -0.0002372600000000, -0.0008668500000000 ] - [ -0.0007629000000000, -0.0001333800000000, 0.0001631400000000 ] - [ 0.0003136800000000, -0.0004698000000000, -0.0000021900000000 ] - [ 0.0013976300000000, -0.0002655800000000, 0.0005134600000000 ] - [ 0.0011437600000000, 0.0005586700000000, 0.0000822000000000 ] - [ 0.0003287700000000, 0.0018885200000000, 0.0004744700000000 ] - [ -0.0004937300000000, 0.0008501000000000, 0.0002580200000000 ] - [ 0.0009606400000000, -0.0007233900000000, -0.0005689700000000 ] - [ 0.0012794300000000, -0.0017034000000000, 0.0001512600000000 ] - [ 0.0000782700000000, -0.0011676700000000, -0.0000540700000000 ] - [ 0.0002602000000000, 0.0006467700000000, 0.0000856200000000 ] - [ -0.0012109500000000, 0.0003382700000000, 0.0003756100000000 ] - [ 0.0007877800000000, -0.0012382700000000, 0.0001422600000000 ] - [ -0.2313888500000000, 0.3228503100000000, -0.1296484800000000 ] - [ 0.0009265300000000, -0.0003855200000000, 0.0000655700000000 ] - [ -0.0038416100000000, -0.0011160500000000, 0.0000031100000000 ] - [ 0.0006203400000000, 0.0020944100000000, 0.0017881800000000 ] - [ 0.0002191800000000, -0.0010317000000000, -0.0007832100000000 ] - [ -0.0016752100000000, -0.0018955200000000, 0.0022345800000000 ] - [ 0.0006130100000000, -0.0007114900000000, -0.0003059500000000 ] - [ 0.0005721900000000, 0.0003039000000000, -0.0001080600000000 ] - [ 0.0241496700000000, -0.0002598900000000, 0.0045417300000000 ] - [ -0.0000459200000000, -0.0011733500000000, -0.0000700300000000 ] - [ 0.0009710300000000, 0.0007587700000000, -0.0001733800000000 ] - [ -0.0016486300000000, -0.0018151500000000, -0.0033284400000000 ] - [ -0.0008432200000000, -0.0004029700000000, -0.0001437400000000 ] - [ -0.0024257200000000, -0.0000365900000000, -0.0008913000000000 ] - [ 0.0017037300000000, -0.0008482100000000, -0.0000149500000000 ] - [ 0.0003249500000000, -0.0006640400000000, -0.0000883700000000 ] - [ 0.0006311800000000, -0.0002405000000000, -0.0001685300000000 ] - [ 0.0029738700000000, -0.0019253900000000, 0.0002999700000000 ] - [ 0.0013736400000000, -0.0004671000000000, 0.0001981600000000 ] - [ 0.0005102900000000, -0.0001254000000000, 0.0000041700000000 ] - [ -0.0002019100000000, 0.0009408600000000, 0.0004030000000000 ] - [ 0.0002755700000000, -0.0021440100000000, -0.0003011800000000 ] - [ 0.0010795700000000, 0.0002852200000000, 0.0010229600000000 ] - [ -0.0000991800000000, -0.0003182800000000, -0.0000290800000000 ] - [ -0.0003111800000000, -0.0013893800000000, 0.0001910300000000 ] - [ 0.0003866500000000, -0.0002042600000000, -0.0000136000000000 ] - [ -0.0006053100000000, -0.0015641100000000, -0.0003943800000000 ] - [ 0.0011485500000000, 0.0016825500000000, -0.0005099500000000 ] - [ 0.0045456000000000, -0.0012501000000000, 0.0005152400000000 ] - [ 0.0013229600000000, -0.0007884200000000, -0.0000857300000000 ] - [ 0.0009194400000000, 0.0002208000000000, 0.0001197500000000 ] - [ 0.0000793300000000, -0.0009326500000000, -0.0000047900000000 ] - [ -0.0009160600000000, -0.0048704800000000, -0.0006263500000000 ] - [ 0.0002069800000000, -0.0042900600000000, 0.0005024800000000 ] - [ 0.0004550000000000, -0.0006928800000000, 0.0001513900000000 ] - [ 0.0009417100000000, -0.0008910900000000, -0.0002052600000000 ] - [ 0.0005747600000000, -0.0012095600000000, 0.0007003000000000 ] - [ 0.0009853900000000, 0.0003506700000000, 0.0000919700000000 ] - [ 0.0005569200000000, -0.0012686900000000, 0.0000440200000000 ] - [ 0.0004338900000000, -0.0007000300000000, -0.0003419000000000 ] - [ -0.0046152300000000, -0.0002869000000000, -0.0001306300000000 ] - [ 0.0002424200000000, 0.0010589500000000, 0.0011650100000000 ] - [ 0.0002416300000000, -0.0022277400000000, 0.0001442100000000 ] - [ -0.0017380300000000, 0.0001503500000000, 0.0007852600000000 ] - [ -0.0001541500000000, -0.0015601800000000, -0.0001620900000000 ] - [ 0.0008406700000000, -0.0013134700000000, -0.0002038800000000 ] - [ -0.0000196800000000, -0.0000204100000000, -0.0000175200000000 ] - [ 0.0007245900000000, -0.0002819100000000, -0.0003113700000000 ] - [ 0.0026894400000000, 0.0013322900000000, -0.0028485600000000 ] - [ -0.0000078100000000, -0.0003452500000000, 0.0007526700000000 ] - [ -0.0004423100000000, -0.0003691400000000, -0.0001001900000000 ] - [ 0.0091547700000000, -0.0303978400000000, 0.0098529000000000 ] - [ 0.0021057700000000, 0.0000237700000000, 0.0026329000000000 ] - [ -0.0001846900000000, -0.0010132400000000, 0.0000876100000000 ] - [ -0.0013078600000000, 0.0017830700000000, -0.0002271300000000 ] - [ 0.0010162000000000, -0.0007086500000000, 0.0012030600000000 ] - [ 0.0006376000000000, -0.0006405400000000, 0.0000492300000000 ] - [ -0.0013956400000000, 0.0003292700000000, 0.0002790300000000 ] - [ 0.0003212600000000, -0.0010464300000000, 0.0002229900000000 ] - [ -0.0005479700000000, -0.0002376600000000, 0.0000188500000000 ] - [ -0.0007461300000000, -0.0004877500000000, 0.0000053600000000 ] - [ 0.0023426900000000, 0.0050261600000000, 0.0159802700000000 ] - [ -0.0078344800000000, -0.0162913700000000, -0.0005010000000000 ] - [ -0.0003614900000000, 0.0000048000000000, 0.0000552900000000 ] - [ 0.0009297300000000, 0.0002611000000000, -0.0000916000000000 ] - [ -0.0015497500000000, -0.0006480500000000, 0.0001917600000000 ] - [ 0.0006876600000000, 0.0001861300000000, 0.0000199300000000 ] - [ 0.0026639700000000, 0.0023914100000000, 0.0000179300000000 ] - [ -0.0044099200000000, 0.0052782100000000, 0.0032196400000000 ] - [ -0.0019670100000000, -0.0003134600000000, 0.0020469700000000 ] - [ -0.0007990100000000, 0.0017245200000000, -0.0004672200000000 ] - [ 0.0003838800000000, -0.0003916900000000, -0.0001005900000000 ] - [ -0.0004247700000000, -0.0000809000000000, -0.0001216300000000 ] - [ 0.0178556600000000, -0.0102570000000000, -0.0048728200000000 ] - [ 0.0019632400000000, -0.0004758900000000, -0.0003274600000000 ] - [ -0.0020476700000000, 0.0004011700000000, 0.0001938000000000 ] - [ -0.0001191800000000, -0.0004478000000000, -0.0000053000000000 ] - [ -0.0007897100000000, -0.0004325300000000, -0.0000242300000000 ] - [ -0.0005109500000000, -0.0007450200000000, 0.0002293900000000 ] - [ -0.0010659200000000, 0.0020279700000000, 0.0004429900000000 ] - [ 0.0023098800000000, -0.0081500100000000, 0.0193009100000000 ] - [ 0.0037371500000000, 0.0031877300000000, 0.0003319100000000 ] - [ 0.0016840500000000, -0.0020025000000000, -0.0007803800000000 ] - [ 0.0014265500000000, 0.0011584100000000, 0.0002038000000000 ] - [ -0.0011051900000000, -0.0002635800000000, 0.0001692500000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005163400000000, 0.0008819600000000, 0.0003040200000000 ] - [ -0.0000291100000000, -0.0000530100000000, 0.0000540600000000 ] - [ 0.0001593300000000, 0.0001599300000000, 0.0002370000000000 ] - [ -0.0001951800000000, -0.0000690700000000, 0.0002113200000000 ] - [ -0.0002161300000000, 0.0000513700000000, -0.0000064500000000 ] - [ 0.0002336300000000, 0.0001176700000000, 0.0001738600000000 ] - [ 0.0027163300000000, 0.0005720700000000, -0.0004198300000000 ] - [ -0.0000266600000000, -0.0000805400000000, -0.0000972200000000 ] - [ -0.0001091000000000, 0.0001557300000000, 0.0000645200000000 ] - [ -0.0000631900000000, 0.0000626200000000, 0.0002501400000000 ] - [ 0.0025760900000000, 0.0005137100000000, -0.0005334200000000 ] - [ -0.0001044100000000, 0.0001652500000000, 0.0000174700000000 ] - [ 0.0000112400000000, -0.0000209300000000, 0.0000692400000000 ] - [ -0.0004293100000000, 0.0008555600000000, -0.0001708000000000 ] - [ -0.0002962200000000, -0.0000479900000000, 0.0002256500000000 ] - [ -0.0009528300000000, -0.0017879800000000, -0.0001885100000000 ] - [ -0.0000606100000000, -0.0001030900000000, 0.0001266200000000 ] - [ 0.0001574700000000, 0.0000438000000000, 0.0002741400000000 ] - [ -0.0002513400000000, 0.0001430800000000, 0.0000174800000000 ] - [ -0.0000303400000000, -0.0000146300000000, 0.0000952300000000 ] - [ 0.0002708100000000, -0.0000200100000000, 0.0000080700000000 ] - [ -0.0007640700000000, -0.0013523400000000, 0.0005616400000000 ] - [ 0.0001049700000000, -0.0001856100000000, 0.0000516800000000 ] - [ -0.0004050800000000, 0.0001213700000000, 0.0000665300000000 ] - [ -0.0000464800000000, -0.0004318100000000, -0.0002545400000000 ] - [ -0.0005004800000000, 0.0002729300000000, 0.0000350900000000 ] - [ 0.0007592800000000, -0.0003194800000000, -0.0000100800000000 ] - [ 0.0001762400000000, 0.0007304900000000, -0.0003761100000000 ] - [ 0.0000518500000000, 0.0002944500000000, 0.0003831200000000 ] - [ -0.0004399000000000, -0.0007501400000000, -0.0000829600000000 ] - [ -0.0010565200000000, -0.0003185200000000, -0.0000319400000000 ] - [ -0.0016638800000000, -0.0001641700000000, 0.0006417500000000 ] - [ 0.0000902300000000, 0.0000530900000000, 0.0004124200000000 ] - [ -0.0007528500000000, 0.0008330000000000, -0.0003530000000000 ] - [ 0.0005585900000000, 0.0006814900000000, 0.0000810200000000 ] - [ -0.0011293800000000, -0.0001584700000000, -0.0010663300000000 ] - [ -0.0002323500000000, 0.0000908300000000, 0.0003776200000000 ] - [ -0.0009829500000000, 0.0000204900000000, -0.0002724100000000 ] - [ 0.0011975100000000, 0.0009685100000000, 0.0000324500000000 ] - [ 0.0005403200000000, -0.0004236400000000, -0.0005043100000000 ] - [ 0.0028667400000000, 0.0003170600000000, -0.0132264200000000 ] - [ 0.0023598500000000, 0.0000636100000000, 0.0032528000000000 ] - [ -0.0003499500000000, -0.0000386600000000, 0.0003806500000000 ] - [ 0.0009363400000000, 0.0003298400000000, -0.0000782500000000 ] - [ 0.0001710900000000, 0.0004541800000000, 0.0000836200000000 ] - [ -0.0005121900000000, 0.0001125900000000, 0.0003130600000000 ] - [ -0.0003522700000000, 0.0002637600000000, 0.0000141500000000 ] - [ 0.0054684100000000, -0.0158817100000000, 0.0203328400000000 ] - [ -0.0004331300000000, -0.0000356200000000, -0.0007657300000000 ] - [ 0.0004583200000000, 0.0002143400000000, 0.0003157900000000 ] - [ -0.0006653900000000, -0.0002977500000000, -0.0012992200000000 ] - [ 0.0716069400000000, -0.0512466400000000, 0.0836784700000000 ] - [ 0.0001715700000000, -0.0009800300000000, 0.0005492000000000 ] - [ 0.0003898800000000, -0.0004940400000000, 0.0000506300000000 ] - [ -0.0008038200000000, 0.0011250400000000, 0.0003719300000000 ] - [ 0.0028059800000000, -0.0014017600000000, -0.0115838300000000 ] - [ 0.0005194700000000, 0.0013248100000000, 0.0000486000000000 ] - [ -0.0001462900000000, 0.0004655700000000, 0.0001516800000000 ] - [ -0.0002224900000000, -0.0001040800000000, 0.0001752900000000 ] - [ -0.0002691600000000, -0.0003000900000000, 0.0003056900000000 ] - [ -0.0025501900000000, -0.0002590500000000, -0.0014444300000000 ] - [ -0.0007672500000000, -0.0004430200000000, -0.0005211200000000 ] - [ 0.0003941600000000, 0.0005534000000000, -0.0002296200000000 ] - [ 0.0003688200000000, 0.0001998900000000, -0.0025133300000000 ] - [ 0.0000620900000000, -0.0000719000000000, -0.0006664500000000 ] - [ -0.0003074200000000, 0.0005061600000000, 0.0002094600000000 ] - [ -0.0006073700000000, 0.0005400600000000, -0.0005933500000000 ] - [ 0.0010225600000000, 0.0017335000000000, 0.0010700900000000 ] - [ 0.0004894000000000, 0.0003751200000000, -0.0006203200000000 ] - [ -0.0004341500000000, 0.0008132100000000, -0.0005651800000000 ] - [ -0.0004306900000000, -0.0001954600000000, 0.0007592600000000 ] - [ 0.0000477500000000, 0.0000728700000000, 0.0001373600000000 ] - [ 0.0003044400000000, 0.0000538200000000, 0.0000624900000000 ] - [ 0.0009192500000000, -0.0001031900000000, 0.0002739500000000 ] - [ 0.0006264200000000, 0.0002181900000000, 0.0001154200000000 ] - [ -0.0000481600000000, 0.0009506300000000, 0.0004731800000000 ] - [ -0.0000794400000000, 0.0002029400000000, 0.0001182900000000 ] - [ 0.0002465900000000, 0.0000287900000000, 0.0000928600000000 ] - [ 0.0002719600000000, -0.0001328600000000, -0.0001016100000000 ] - [ -0.0004162400000000, -0.0002234300000000, -0.0000519700000000 ] - [ -0.0000281100000000, 0.0002554000000000, 0.0000984100000000 ] - [ -0.0004959100000000, 0.0002073900000000, 0.0001162600000000 ] - [ 0.0004450100000000, -0.0006524100000000, 0.0000385000000000 ] - [ -0.1039234100000000, 0.0905538300000000, -0.1191086900000000 ] - [ 0.0003943700000000, -0.0002196400000000, 0.0001170000000000 ] - [ -0.0004746500000000, 0.0004615700000000, -0.0001919800000000 ] - [ 0.0012952600000000, 0.0010031600000000, 0.0030293300000000 ] - [ -0.0001097400000000, 0.0000512200000000, -0.0002548700000000 ] - [ -0.0006545100000000, -0.0007642500000000, -0.0006027200000000 ] - [ 0.0001389500000000, -0.0000240300000000, -0.0002383300000000 ] - [ 0.0001657200000000, 0.0001775500000000, -0.0000308100000000 ] - [ 0.0006076100000000, -0.0000118200000000, -0.0062530000000000 ] - [ 0.0001895500000000, -0.0001134800000000, -0.0000588500000000 ] - [ 0.0003092500000000, 0.0001759800000000, -0.0001136300000000 ] - [ -0.0004204900000000, 0.0012628000000000, 0.0008995900000000 ] - [ -0.0001360000000000, -0.0001185700000000, -0.0000545100000000 ] - [ -0.0006329700000000, 0.0001438400000000, 0.0001870800000000 ] - [ 0.0004140600000000, -0.0002356700000000, -0.0000560300000000 ] - [ -0.0004147400000000, -0.0004848400000000, -0.0002745100000000 ] - [ 0.0001523400000000, -0.0003118400000000, -0.0000743400000000 ] - [ 0.0005165900000000, -0.0000633000000000, -0.0000641700000000 ] - [ 0.0006783000000000, 0.0000754900000000, 0.0004631700000000 ] - [ 0.0001073100000000, -0.0002979500000000, 0.0000810600000000 ] - [ -0.0000342800000000, 0.0001278500000000, 0.0000021000000000 ] - [ -0.0001369800000000, -0.0004891500000000, -0.0001907000000000 ] - [ 0.0017910100000000, -0.0007134200000000, 0.0030172000000000 ] - [ 0.0000176500000000, 0.0005382600000000, -0.0002761400000000 ] - [ -0.0002309100000000, -0.0006418300000000, 0.0000947900000000 ] - [ -0.0001988400000000, -0.0002523100000000, 0.0000068000000000 ] - [ -0.0002723300000000, -0.0003199300000000, -0.0002119900000000 ] - [ 0.0007207900000000, 0.0003380100000000, 0.0001068100000000 ] - [ -0.0000803300000000, 0.0000824000000000, -0.0001326000000000 ] - [ 0.0003555600000000, -0.0005471700000000, 0.0000539000000000 ] - [ 0.0004854100000000, 0.0000350400000000, 0.0000684200000000 ] - [ -0.0001917200000000, -0.0000700400000000, 0.0001821900000000 ] - [ -0.0007014100000000, -0.0011244100000000, -0.0002075800000000 ] - [ -0.0001220200000000, -0.0007235100000000, 0.0000371900000000 ] - [ -0.0000113000000000, -0.0000375500000000, 0.0000034100000000 ] - [ 0.0004029900000000, 0.0001680200000000, -0.0000849300000000 ] - [ 0.0001482800000000, -0.0002525700000000, 0.0008491500000000 ] - [ 0.0004521700000000, 0.0000806500000000, -0.0000456100000000 ] - [ 0.0000562200000000, -0.0004232400000000, 0.0000722700000000 ] - [ 0.0000405300000000, 0.0000071900000000, -0.0001646300000000 ] - [ 0.0000503300000000, 0.0007550400000000, -0.0013532800000000 ] - [ 0.0005370500000000, 0.0001663200000000, 0.0008665900000000 ] - [ 0.0003422900000000, -0.0005996300000000, 0.0000366800000000 ] - [ -0.0017341100000000, -0.0016874400000000, 0.0029433200000000 ] - [ -0.0001813000000000, -0.0005946000000000, 0.0003936700000000 ] - [ -0.0001814200000000, -0.0000718300000000, -0.0000073800000000 ] - [ 0.0003190400000000, 0.0002268800000000, 0.0000479400000000 ] - [ 0.0003032300000000, -0.0001696000000000, -0.0002310100000000 ] - [ 0.0001417300000000, 0.0002767100000000, -0.0000608500000000 ] - [ 0.0000482600000000, -0.0000039700000000, 0.0008127000000000 ] - [ -0.0001834200000000, -0.0000718900000000, -0.0000340200000000 ] - [ 0.0022151400000000, -0.0077132400000000, -0.0054742200000000 ] - [ 0.0012130900000000, -0.0001781600000000, -0.0000832200000000 ] - [ -0.0001774100000000, -0.0002751800000000, -0.0002484500000000 ] - [ -0.0001768200000000, 0.0002183500000000, -0.0002595200000000 ] - [ 0.0002181300000000, -0.0002517300000000, 0.0008218200000000 ] - [ -0.0000263700000000, 0.0000536600000000, 0.0000654100000000 ] - [ -0.0004747600000000, -0.0000535800000000, -0.0002854700000000 ] - [ 0.0001337500000000, -0.0003293000000000, 0.0001257200000000 ] - [ -0.0002318900000000, -0.0000161400000000, -0.0000319600000000 ] - [ -0.0002878100000000, -0.0000299900000000, -0.0001193400000000 ] - [ 0.0159787600000000, -0.0084894900000000, 0.0296433700000000 ] - [ 0.0000256700000000, 0.0002586700000000, -0.0040630600000000 ] - [ -0.0000498800000000, 0.0003046500000000, 0.0000932800000000 ] - [ 0.0002487400000000, 0.0001489400000000, -0.0001369000000000 ] - [ -0.0003838800000000, 0.0000152500000000, -0.0000113600000000 ] - [ 0.0003595200000000, 0.0000104700000000, -0.0000796300000000 ] - [ 0.0001090000000000, 0.0004078100000000, -0.0002039800000000 ] - [ -0.0023923700000000, 0.0018658000000000, 0.0063319300000000 ] - [ -0.0010116900000000, -0.0009061000000000, 0.0022085300000000 ] - [ -0.0002023200000000, 0.0001595700000000, -0.0004560700000000 ] - [ 0.0001146100000000, -0.0000574900000000, -0.0000121600000000 ] - [ -0.0000359100000000, 0.0002664500000000, -0.0000881000000000 ] - [ -0.0021635300000000, 0.0014441900000000, -0.0034610600000000 ] - [ 0.0006213500000000, -0.0002269200000000, -0.0002371700000000 ] - [ -0.0008231200000000, 0.0002443000000000, 0.0002479900000000 ] - [ 0.0003253800000000, -0.0001625800000000, -0.0000383900000000 ] - [ -0.0002577800000000, -0.0001626400000000, -0.0000963400000000 ] - [ -0.0000788900000000, -0.0004561000000000, 0.0001568900000000 ] - [ -0.0004620400000000, 0.0008998800000000, 0.0008571300000000 ] - [ 0.0047790500000000, -0.0109234900000000, 0.0126302700000000 ] - [ 0.0005869800000000, -0.0009453600000000, -0.0013554000000000 ] - [ 0.0009151900000000, -0.0008191000000000, -0.0004328000000000 ] - [ 0.0003624400000000, 0.0004890400000000, 0.0000760800000000 ] - [ -0.0005078800000000, -0.0000671900000000, 0.0001875900000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004619800000000, -0.0008486300000000, -0.0000743200000000 ] - [ 0.0000281000000000, 0.0000521000000000, 0.0000669500000000 ] - [ -0.0000435700000000, -0.0000082000000000, 0.0002228200000000 ] - [ 0.0000785200000000, -0.0000836900000000, 0.0002463900000000 ] - [ -0.0000816400000000, -0.0002488800000000, 0.0000405900000000 ] - [ -0.0000410500000000, -0.0001414500000000, 0.0002840400000000 ] - [ -0.0026959900000000, -0.0005534100000000, 0.0004825000000000 ] - [ 0.0000824000000000, 0.0000472000000000, 0.0003172600000000 ] - [ 0.0001086400000000, -0.0001566100000000, 0.0000475400000000 ] - [ 0.0001387000000000, -0.0002371200000000, 0.0002097000000000 ] - [ -0.0022691000000000, -0.0003139700000000, 0.0005815100000000 ] - [ 0.0001055100000000, -0.0001642400000000, 0.0000410200000000 ] - [ -0.0000109600000000, 0.0000214100000000, 0.0000526800000000 ] - [ 0.0003756500000000, -0.0008868900000000, 0.0003906700000000 ] - [ 0.0001047600000000, 0.0000708500000000, 0.0002356500000000 ] - [ 0.0008818200000000, 0.0019724800000000, 0.0006373900000000 ] - [ 0.0000592000000000, 0.0000401400000000, 0.0000995700000000 ] - [ -0.0001009000000000, -0.0000134500000000, -0.0000416500000000 ] - [ 0.0002270200000000, 0.0002150700000000, 0.0000165100000000 ] - [ 0.0000296800000000, 0.0000762000000000, 0.0001301000000000 ] - [ 0.0000507600000000, -0.0001421200000000, 0.0000267400000000 ] - [ 0.0008419800000000, 0.0013928000000000, -0.0004152800000000 ] - [ -0.0000830500000000, -0.0001738400000000, -0.0000155700000000 ] - [ 0.0000830500000000, 0.0000412300000000, -0.0000290200000000 ] - [ -0.0001036400000000, -0.0008515900000000, -0.0002462400000000 ] - [ 0.0002271300000000, 0.0000727900000000, -0.0000818100000000 ] - [ 0.0005349500000000, -0.0007936300000000, -0.0000980900000000 ] - [ 0.0010030900000000, -0.0002100300000000, -0.0001242800000000 ] - [ -0.0000699900000000, -0.0002579100000000, 0.0004217900000000 ] - [ 0.0001134100000000, -0.0009134100000000, -0.0000259700000000 ] - [ -0.0005560700000000, -0.0002355600000000, -0.0000704500000000 ] - [ 0.0016501100000000, 0.0001320500000000, 0.0001380600000000 ] - [ -0.0001379500000000, -0.0000485700000000, 0.0003919400000000 ] - [ -0.0002924200000000, -0.0000640600000000, -0.0001460500000000 ] - [ -0.0002381700000000, 0.0009817500000000, -0.0001857400000000 ] - [ 0.0006929800000000, 0.0000921800000000, 0.0010156500000000 ] - [ 0.0002498200000000, -0.0000514600000000, 0.0004210200000000 ] - [ -0.0003081100000000, 0.0010957900000000, 0.0001602900000000 ] - [ -0.0012075800000000, -0.0010029000000000, 0.0007745400000000 ] - [ -0.0002730600000000, 0.0000703800000000, 0.0004542900000000 ] - [ -0.0027032000000000, 0.0000770000000000, 0.0132118800000000 ] - [ -0.0035183800000000, -0.0005705000000000, -0.0037208500000000 ] - [ 0.0003939600000000, 0.0000331500000000, 0.0004248800000000 ] - [ 0.0006743100000000, 0.0002237300000000, -0.0000256000000000 ] - [ 0.0002562500000000, -0.0003880300000000, -0.0001242100000000 ] - [ 0.0006595400000000, 0.0011739300000000, -0.0008085500000000 ] - [ 0.0001872800000000, -0.0006777200000000, -0.0000512900000000 ] - [ -0.0045129700000000, 0.0156114700000000, -0.0210798300000000 ] - [ 0.0006966900000000, -0.0009959000000000, -0.0003726300000000 ] - [ 0.0011972700000000, 0.0001528300000000, 0.0003604600000000 ] - [ 0.0004499900000000, 0.0009296600000000, 0.0000249000000000 ] - [ -0.0729625000000000, 0.0518745400000000, -0.0835313300000000 ] - [ 0.0004982900000000, 0.0004312700000000, -0.0001907000000000 ] - [ -0.0005299200000000, -0.0003344600000000, 0.0003046300000000 ] - [ -0.0003534900000000, 0.0001159800000000, 0.0002998000000000 ] - [ -0.0021129900000000, 0.0013052600000000, 0.0103128200000000 ] - [ -0.0007993400000000, -0.0003268900000000, -0.0011558800000000 ] - [ 0.0002880300000000, 0.0003644600000000, 0.0002011000000000 ] - [ -0.0005483900000000, -0.0002050400000000, 0.0001756600000000 ] - [ -0.0002350500000000, -0.0013150000000000, 0.0003686000000000 ] - [ 0.0015248800000000, 0.0005443800000000, 0.0002966300000000 ] - [ 0.0000185800000000, -0.0003220000000000, -0.0006141000000000 ] - [ 0.0006575300000000, -0.0008354300000000, -0.0009045500000000 ] - [ -0.0007896000000000, -0.0007816200000000, 0.0012487100000000 ] - [ 0.0001413400000000, -0.0005604200000000, -0.0006087400000000 ] - [ -0.0003651800000000, 0.0000343400000000, 0.0001539900000000 ] - [ -0.0001018200000000, -0.0004114200000000, -0.0006735800000000 ] - [ -0.0004843300000000, -0.0000980600000000, -0.0004025400000000 ] - [ 0.0002558800000000, 0.0003867400000000, -0.0005169500000000 ] - [ 0.0008530600000000, -0.0002490000000000, -0.0007103000000000 ] - [ -0.0012230100000000, -0.0001733100000000, -0.0000902400000000 ] - [ 0.0007211700000000, 0.0002342500000000, 0.0002150400000000 ] - [ 0.0003066200000000, 0.0002498900000000, 0.0001106600000000 ] - [ -0.0002048700000000, 0.0004610700000000, -0.0000182100000000 ] - [ 0.0002375000000000, 0.0000488100000000, 0.0001397600000000 ] - [ -0.0007449600000000, -0.0005072200000000, -0.0004038100000000 ] - [ 0.0002378600000000, -0.0003556600000000, -0.0001614400000000 ] - [ -0.0000597200000000, 0.0002521300000000, -0.0002063400000000 ] - [ -0.0002048500000000, 0.0006193000000000, -0.0002345600000000 ] - [ -0.0006816300000000, 0.0001805400000000, 0.0000575300000000 ] - [ -0.0006799500000000, -0.0000016500000000, -0.0001389700000000 ] - [ -0.0000725400000000, 0.0001705400000000, 0.0000509200000000 ] - [ 0.0001786400000000, -0.0003253400000000, -0.0000113900000000 ] - [ 0.1052199800000000, -0.0921559400000000, 0.1193159500000000 ] - [ 0.0001755100000000, -0.0001580400000000, 0.0000547900000000 ] - [ 0.0004633400000000, 0.0004523900000000, 0.0002580900000000 ] - [ -0.0001879800000000, -0.0009634300000000, -0.0030177000000000 ] - [ -0.0000450200000000, 0.0002535100000000, 0.0001335400000000 ] - [ 0.0004676600000000, 0.0004849100000000, 0.0004689800000000 ] - [ -0.0000519400000000, 0.0004013100000000, -0.0001980300000000 ] - [ -0.0001112000000000, 0.0000310400000000, -0.0000111800000000 ] - [ -0.0002673700000000, -0.0005354700000000, 0.0064112200000000 ] - [ 0.0003520000000000, 0.0002977600000000, -0.0000683200000000 ] - [ -0.0000932400000000, -0.0001202400000000, 0.0000699200000000 ] - [ 0.0005667600000000, -0.0012313700000000, 0.0007008600000000 ] - [ 0.0000844200000000, -0.0000913100000000, 0.0000136900000000 ] - [ 0.0002543700000000, 0.0001591600000000, -0.0005165700000000 ] - [ 0.0000176000000000, -0.0001476500000000, -0.0000678600000000 ] - [ -0.0010543700000000, -0.0002673600000000, -0.0004300200000000 ] - [ -0.0002657500000000, -0.0002508700000000, -0.0000563700000000 ] - [ -0.0006207900000000, 0.0007718800000000, 0.0000355100000000 ] - [ -0.0004700200000000, 0.0007975600000000, -0.0002044000000000 ] - [ -0.0001480100000000, -0.0003835000000000, 0.0000876300000000 ] - [ -0.0005762700000000, -0.0004309500000000, 0.0001757500000000 ] - [ -0.0004324900000000, 0.0000045600000000, 0.0001528600000000 ] - [ -0.0011587200000000, 0.0001137900000000, -0.0027826200000000 ] - [ 0.0000682700000000, 0.0011117800000000, -0.0004294800000000 ] - [ -0.0000860100000000, 0.0001874000000000, 0.0000037800000000 ] - [ -0.0005877200000000, -0.0002040600000000, 0.0000646500000000 ] - [ -0.0001807100000000, 0.0001347400000000, -0.0001229800000000 ] - [ -0.0002626000000000, -0.0001514300000000, -0.0004411400000000 ] - [ 0.0003874100000000, 0.0003707700000000, 0.0002294400000000 ] - [ -0.0003320700000000, -0.0003602100000000, 0.0000140400000000 ] - [ 0.0000663500000000, -0.0000874800000000, 0.0000315500000000 ] - [ -0.0004731800000000, 0.0004992800000000, 0.0000665400000000 ] - [ -0.0000189000000000, 0.0007636700000000, 0.0004563500000000 ] - [ -0.0000855800000000, -0.0001355600000000, 0.0002154600000000 ] - [ -0.0001468100000000, 0.0001888600000000, -0.0000450700000000 ] - [ 0.0001280200000000, 0.0008157300000000, 0.0000944000000000 ] - [ -0.0000488300000000, 0.0001274600000000, 0.0007707800000000 ] - [ -0.0001067800000000, -0.0001476400000000, -0.0002175800000000 ] - [ -0.0001270200000000, 0.0003093900000000, -0.0000544900000000 ] - [ -0.0001341400000000, 0.0002892700000000, -0.0001165400000000 ] - [ 0.0014095200000000, -0.0000051000000000, 0.0006460600000000 ] - [ -0.0005904300000000, -0.0003093400000000, 0.0007407400000000 ] - [ 0.0004455900000000, 0.0001520500000000, 0.0000314700000000 ] - [ 0.0012122800000000, 0.0007227100000000, -0.0029408500000000 ] - [ 0.0002936000000000, -0.0001165700000000, -0.0004238300000000 ] - [ -0.0004799000000000, 0.0006812000000000, 0.0002595300000000 ] - [ 0.0004680700000000, 0.0002310500000000, 0.0000233400000000 ] - [ -0.0000146000000000, -0.0000957600000000, -0.0002071700000000 ] - [ 0.0002264000000000, -0.0001662400000000, -0.0003626700000000 ] - [ 0.0000107400000000, 0.0001463800000000, 0.0007972600000000 ] - [ -0.0000319500000000, 0.0000173500000000, -0.0000093300000000 ] - [ -0.0021470200000000, 0.0078217700000000, 0.0055573300000000 ] - [ -0.0010635800000000, -0.0001256600000000, -0.0000141400000000 ] - [ -0.0001937400000000, 0.0001608300000000, -0.0001880200000000 ] - [ 0.0002525700000000, -0.0003469300000000, 0.0002782700000000 ] - [ -0.0003665000000000, 0.0002302100000000, 0.0007937100000000 ] - [ -0.0001964600000000, 0.0004495800000000, 0.0000359900000000 ] - [ 0.0001872300000000, 0.0003213700000000, -0.0001485200000000 ] - [ 0.0000015800000000, 0.0003240500000000, -0.0001077000000000 ] - [ -0.0001067900000000, 0.0000347800000000, -0.0000880100000000 ] - [ -0.0000578800000000, 0.0000966800000000, -0.0001443400000000 ] - [ -0.0164142200000000, 0.0082400700000000, -0.0305671000000000 ] - [ 0.0006594600000000, -0.0006063100000000, 0.0043082000000000 ] - [ 0.0000918400000000, 0.0003773000000000, 0.0000774000000000 ] - [ -0.0000335900000000, 0.0001045000000000, -0.0001308100000000 ] - [ -0.0001664500000000, 0.0000375400000000, 0.0001112800000000 ] - [ -0.0000190000000000, -0.0000284700000000, -0.0000421300000000 ] - [ -0.0006396700000000, -0.0005833300000000, 0.0000801000000000 ] - [ 0.0023293400000000, -0.0023730900000000, -0.0066577000000000 ] - [ 0.0015771300000000, 0.0013770500000000, -0.0022419800000000 ] - [ 0.0002987800000000, -0.0004544500000000, 0.0001742600000000 ] - [ -0.0001890700000000, 0.0001866200000000, 0.0000309300000000 ] - [ 0.0001512700000000, 0.0002971800000000, -0.0000421000000000 ] - [ 0.0019841800000000, -0.0014249200000000, 0.0034893300000000 ] - [ -0.0002397400000000, -0.0000727800000000, -0.0000929800000000 ] - [ 0.0003890400000000, 0.0001372900000000, -0.0003731000000000 ] - [ 0.0003881900000000, -0.0000891800000000, -0.0000030100000000 ] - [ 0.0000431600000000, -0.0000904300000000, -0.0001718300000000 ] - [ 0.0000558600000000, -0.0003414800000000, 0.0000938900000000 ] - [ -0.0001556900000000, 0.0000799100000000, -0.0008275800000000 ] - [ -0.0048158800000000, 0.0109244000000000, -0.0109587400000000 ] - [ -0.0006799900000000, -0.0007123100000000, 0.0006453400000000 ] - [ 0.0004734600000000, -0.0000797600000000, -0.0002722200000000 ] - [ -0.0003369000000000, 0.0003080900000000, 0.0001744900000000 ] - [ -0.0003504000000000, -0.0001949700000000, 0.0000674100000000 ]- atom: 90 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0000582700000000, 0.0007200100000000, 0.0001207800000000 ] - [ -0.0002302600000000, -0.0003067900000000, 0.0000430300000000 ] - [ -0.0005291700000000, 0.0001424800000000, 0.0002088700000000 ] - [ -0.0000196300000000, -0.0002474600000000, 0.0002218800000000 ] - [ 0.0010503900000000, -0.0011561900000000, -0.0003586900000000 ] - [ -0.0007198500000000, 0.0000511300000000, 0.0002436000000000 ] - [ -0.0001409800000000, 0.0002883100000000, 0.0000503900000000 ] - [ 0.0000081700000000, 0.0005160600000000, 0.0001152000000000 ] - [ -0.0025379500000000, -0.0008885300000000, 0.0000999600000000 ] - [ 0.0032475000000000, 0.0010256700000000, 0.0004173400000000 ] - [ 0.0001657100000000, 0.0001982000000000, 0.0000149500000000 ] - [ -0.0005267800000000, -0.0003173900000000, 0.0001396100000000 ] - [ -0.0002816000000000, -0.0003877200000000, 0.0000725000000000 ] - [ 0.0009097700000000, 0.0011333800000000, 0.0002708600000000 ] - [ -0.0000345800000000, -0.0004207400000000, 0.0002353800000000 ] - [ -0.0000746400000000, 0.0002237200000000, 0.0002285700000000 ] - [ -0.0004845100000000, -0.0001585300000000, 0.0001160400000000 ] - [ 0.0011411700000000, 0.0014115800000000, -0.0000142800000000 ] - [ -0.0000181600000000, -0.0002289800000000, -0.0000053500000000 ] - [ -0.0004062600000000, -0.0001136100000000, 0.0001135500000000 ] - [ -0.0003475800000000, 0.0000216500000000, 0.0000273300000000 ] - [ -0.0001749200000000, 0.0003514300000000, 0.0000374100000000 ] - [ -0.0009120500000000, -0.0001288300000000, 0.0000027700000000 ] - [ -0.0000578400000000, -0.0001123300000000, 0.0000043500000000 ] - [ -0.0015540700000000, -0.0009220400000000, -0.0001220100000000 ] - [ -0.0010740300000000, -0.0009539800000000, -0.0003520400000000 ] - [ -0.0009977800000000, -0.0023602500000000, 0.0004022100000000 ] - [ 0.0005363100000000, -0.0012516400000000, 0.0001012900000000 ] - [ -0.0063051100000000, 0.0020471600000000, -0.0016349800000000 ] - [ 0.0002164000000000, -0.0021258000000000, -0.0000771200000000 ] - [ -0.0009756800000000, -0.0009634600000000, -0.0000266100000000 ] - [ 0.0006683300000000, -0.0005966700000000, 0.0003415600000000 ] - [ -0.0013019500000000, 0.0000681400000000, 0.0003964600000000 ] - [ -0.0005012300000000, 0.0060673100000000, 0.0007370300000000 ] - [ -0.0005398200000000, 0.0006393800000000, -0.0001004000000000 ] - [ -0.0001768200000000, 0.0002595500000000, -0.0000050600000000 ] - [ 0.0017274600000000, 0.0005001100000000, 0.0005176500000000 ] - [ -0.0007461800000000, 0.0002895200000000, -0.0000521100000000 ] - [ -0.0005082800000000, 0.0008390000000000, 0.0004085000000000 ] - [ -0.0009481800000000, 0.0001120700000000, -0.0001333700000000 ] - [ 0.0006219600000000, 0.0010686300000000, 0.0000337700000000 ] - [ -0.0013992700000000, 0.0018788800000000, -0.0000305800000000 ] - [ -0.0004723700000000, -0.0006726800000000, 0.0004219700000000 ] - [ -0.0004319400000000, 0.0001694800000000, -0.0001323700000000 ] - [ -0.0016588400000000, 0.0010557600000000, -0.0004299400000000 ] - [ -0.0003131500000000, 0.0008855700000000, -0.0002943700000000 ] - [ 0.0195446200000000, -0.0004443400000000, 0.0005242100000000 ] - [ 0.0005061900000000, 0.0002720100000000, -0.0002660200000000 ] - [ 0.0014989400000000, 0.0002754600000000, -0.0006484000000000 ] - [ -0.0001997400000000, -0.0010572200000000, 0.0008197500000000 ] - [ -0.0007013100000000, 0.0005014900000000, -0.0005786600000000 ] - [ 0.0010230000000000, 0.0006257000000000, 0.0002637000000000 ] - [ 0.0001333500000000, -0.0006545700000000, 0.0001434000000000 ] - [ -0.0006906700000000, -0.0006921700000000, 0.0002392400000000 ] - [ 0.0382783500000000, -0.0000793800000000, 0.0038306400000000 ] - [ 0.0003208500000000, 0.0007101700000000, -0.0006336400000000 ] - [ -0.0008914900000000, 0.0013775700000000, -0.0006000100000000 ] - [ 0.0003711600000000, -0.0007498200000000, 0.0002495100000000 ] - [ -0.0018684400000000, -0.0005023900000000, 0.0003289700000000 ] - [ -0.0021102500000000, 0.0001205700000000, 0.0008172800000000 ] - [ 0.0006194400000000, -0.0004035900000000, -0.0005720000000000 ] - [ -0.0007714900000000, -0.0012173900000000, -0.0005856500000000 ] - [ -0.0045977300000000, -0.0000279100000000, 0.0036750500000000 ] - [ -0.0016344400000000, 0.0018265200000000, -0.0007703600000000 ] - [ -0.0016148600000000, -0.0003302100000000, -0.0008603300000000 ] - [ -0.0017307500000000, -0.0019659600000000, -0.0004590800000000 ] - [ 0.0013217400000000, 0.0023292400000000, -0.0016193200000000 ] - [ 0.0004133200000000, 0.0011123300000000, 0.0003542500000000 ] - [ -0.0010962100000000, 0.0003949500000000, -0.0005724300000000 ] - [ 0.0011595000000000, -0.0037417300000000, -0.0018753300000000 ] - [ -0.0019377500000000, 0.0000201600000000, 0.0003695700000000 ] - [ 0.0002515200000000, -0.0006781800000000, 0.0001757700000000 ] - [ 0.0012026900000000, 0.0011404500000000, 0.0002169300000000 ] - [ -0.0001460200000000, 0.0011354700000000, 0.0002137700000000 ] - [ 0.0009675900000000, 0.0008535600000000, 0.0001770200000000 ] - [ -0.0005314600000000, 0.0004286700000000, 0.0000220900000000 ] - [ 0.0002954900000000, 0.0000772000000000, -0.0000078500000000 ] - [ -0.0005666800000000, -0.0001395200000000, -0.0000856300000000 ] - [ -0.0046547900000000, -0.0006855100000000, 0.0027677500000000 ] - [ 0.0002052700000000, -0.0014640800000000, 0.0014437500000000 ] - [ 0.0000871900000000, 0.0002384100000000, 0.0000096400000000 ] - [ 0.0000478600000000, 0.0002386900000000, 0.0000703400000000 ] - [ 0.0014008800000000, -0.0001871600000000, 0.0005925300000000 ] - [ -0.0006062800000000, -0.0001605400000000, -0.0002570700000000 ] - [ 0.0001349100000000, 0.0002934900000000, 0.0000056400000000 ] - [ 0.0005879900000000, 0.0003285600000000, 0.0000389800000000 ] - [ 0.0005324000000000, -0.0002593800000000, -0.0000242900000000 ] - [ 0.0058791000000000, -0.0012677200000000, -0.0011219300000000 ] - [ 0.0001818100000000, -0.0005178200000000, -0.0000518600000000 ] - [ -0.0502113200000000, -0.0032650300000000, -0.0059096300000000 ] - [ 0.0001966300000000, 0.0008497100000000, -0.0001193100000000 ] - [ -0.0004564200000000, -0.0004204700000000, 0.0000766900000000 ] - [ 0.0020121600000000, 0.0014621800000000, 0.0003324400000000 ] - [ 0.0002901700000000, 0.0003064500000000, -0.0000341200000000 ] - [ 0.0004203200000000, -0.0010676800000000, 0.0008000500000000 ] - [ 0.0005474200000000, 0.0003419000000000, 0.0000606500000000 ] - [ 0.0008741800000000, -0.0002630100000000, 0.0000228300000000 ] - [ -0.0005086900000000, 0.0004488800000000, -0.0005749800000000 ] - [ -0.0005706100000000, 0.0005231700000000, -0.0005609700000000 ] - [ -0.0000910500000000, 0.0001972600000000, -0.0000621900000000 ] - [ -0.0012545300000000, 0.0018055400000000, -0.0001732000000000 ] - [ -0.0001883500000000, 0.0001190800000000, 0.0000452800000000 ] - [ 0.0000614200000000, 0.0000105700000000, 0.0000526000000000 ] - [ -0.0002246500000000, -0.0000112000000000, 0.0000973600000000 ] - [ -0.0015565100000000, -0.0016444000000000, -0.0001629400000000 ] - [ -0.0004172300000000, -0.0005288300000000, 0.0002195400000000 ] - [ 0.0010796600000000, 0.0007453200000000, -0.0006753200000000 ] - [ 0.0006812300000000, -0.0010553400000000, -0.0001446100000000 ] - [ -0.0003840800000000, 0.0002743400000000, 0.0000052800000000 ] - [ 0.0006052000000000, -0.0000088600000000, 0.0000248200000000 ] - [ 0.0002848000000000, -0.0000127300000000, -0.0001445800000000 ] - [ -0.0001249600000000, 0.0000726700000000, 0.0000472800000000 ] - [ -0.0008843900000000, -0.0002157500000000, 0.0003098300000000 ] - [ 0.0007519300000000, 0.0007919500000000, -0.0000996200000000 ] - [ -0.0022243000000000, -0.0013668900000000, 0.0004428800000000 ] - [ 0.0012894000000000, -0.0018098900000000, -0.0006892700000000 ] - [ 0.0005942000000000, -0.0013806800000000, 0.0001741200000000 ] - [ -0.0001189700000000, 0.0011059300000000, -0.0002976000000000 ] - [ -0.0003791200000000, 0.0077853200000000, 0.0070393900000000 ] - [ -0.0000273300000000, -0.0014196100000000, 0.0000752200000000 ] - [ 0.0002857100000000, 0.0002669500000000, -0.0000746600000000 ] - [ -0.0080803200000000, 0.0036895700000000, -0.0037954900000000 ] - [ -0.0000871000000000, 0.0014044400000000, 0.0002562100000000 ] - [ 0.0015578000000000, -0.0000306600000000, -0.0005434300000000 ] - [ 0.0002233200000000, -0.0001168500000000, 0.0008068500000000 ] - [ 0.0016625100000000, 0.0013192400000000, -0.0008535200000000 ] - [ -0.0002983500000000, -0.0016152000000000, 0.0002916100000000 ] - [ 0.0013575000000000, -0.0025887000000000, 0.0002880500000000 ] - [ 0.0013027500000000, -0.0028583300000000, -0.0080438600000000 ] - [ 0.0012285200000000, 0.0000121700000000, 0.0001372100000000 ] - [ 0.0006406500000000, 0.0007275700000000, -0.0003484400000000 ] - [ 0.0001597600000000, -0.0000667700000000, -0.0002257200000000 ] - [ 0.0006812000000000, 0.0001925900000000, 0.0008786200000000 ] - [ 0.0010797200000000, 0.0005027500000000, 0.0002738700000000 ] - [ -0.0002029800000000, -0.0011740900000000, -0.0001757100000000 ] - [ -0.0003094900000000, 0.0000776700000000, -0.0000185200000000 ] - [ 0.0007509500000000, -0.0006628600000000, -0.0002547900000000 ] - [ 0.0006060900000000, -0.0003635500000000, 0.0000723200000000 ] - [ -0.0008827000000000, 0.0009014500000000, 0.0017935200000000 ] - [ 0.0041621900000000, -0.0017174700000000, 0.0190080400000000 ] - [ 0.0003569300000000, -0.0000477800000000, -0.0001963700000000 ] - [ 0.0011052900000000, -0.0011648100000000, -0.0003189000000000 ] - [ 0.0004301600000000, -0.0000063000000000, -0.0000528900000000 ] - [ 0.0011176100000000, 0.0003933700000000, -0.0004675700000000 ] - [ -0.0002177000000000, -0.0006069300000000, -0.0002603100000000 ] - [ 0.0003578100000000, -0.0007263300000000, 0.0001515000000000 ] - [ 0.0006187900000000, 0.0004894200000000, 0.0001090800000000 ] - [ 0.0002122100000000, 0.0007837800000000, -0.0000000300000000 ] - [ 0.0004284500000000, 0.0001037600000000, -0.0000242900000000 ] - [ 0.0003785100000000, 0.0003243500000000, -0.0000663800000000 ] - [ -0.0003130800000000, 0.0002911700000000, 0.0000018200000000 ] - [ 0.0000349300000000, -0.0007655800000000, -0.0002527000000000 ] - [ 0.0002865500000000, -0.0003351700000000, 0.0000502000000000 ] - [ 0.0001865700000000, -0.0000334000000000, -0.0001527700000000 ] - [ 0.0006286700000000, 0.0003847200000000, -0.0001871200000000 ] - [ 0.0008686000000000, 0.0000799800000000, -0.0000061900000000 ] - [ -0.0001693700000000, -0.0003036200000000, -0.0000089000000000 ] - [ 0.0006080400000000, 0.0009094700000000, 0.0000514400000000 ] - [ 0.0002770800000000, 0.0001103700000000, -0.0000614700000000 ] - [ 0.0015859100000000, -0.0000990900000000, -0.0000736500000000 ] - [ 0.0004699000000000, 0.0001511400000000, -0.0002108500000000 ] - [ 0.0012056100000000, -0.0003641500000000, 0.0000797000000000 ] - [ 0.0001390400000000, 0.0001401800000000, -0.0000736500000000 ] - [ -0.0000142900000000, -0.0002875300000000, 0.0008062800000000 ] - [ 0.0000154600000000, -0.0010407800000000, -0.0003978100000000 ] - [ -0.0006888100000000, -0.0039509600000000, -0.0164997900000000 ] - [ 0.0003674900000000, 0.0005390600000000, 0.0001579000000000 ] - [ 0.0002549200000000, 0.0000371900000000, 0.0001181800000000 ]- atom: 90 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0001136000000000, -0.0006902300000000, 0.0001047300000000 ] - [ 0.0002296300000000, 0.0003055900000000, 0.0000760400000000 ] - [ 0.0006476700000000, 0.0000122700000000, 0.0002499100000000 ] - [ -0.0000973700000000, 0.0000933300000000, 0.0002358000000000 ] - [ -0.0013446100000000, 0.0009627400000000, 0.0003939300000000 ] - [ 0.0009122900000000, -0.0000732900000000, 0.0002154700000000 ] - [ 0.0001422200000000, -0.0002872300000000, 0.0000606500000000 ] - [ 0.0000454400000000, -0.0005481100000000, 0.0001105400000000 ] - [ 0.0024198700000000, 0.0008683000000000, 0.0000147600000000 ] - [ -0.0031463900000000, -0.0011123300000000, 0.0000415900000000 ] - [ 0.0001331200000000, -0.0000020300000000, 0.0000189200000000 ] - [ 0.0005203400000000, 0.0003193500000000, -0.0000755900000000 ] - [ 0.0002821200000000, 0.0003880700000000, 0.0000468200000000 ] - [ -0.0009590200000000, -0.0011657000000000, -0.0000429700000000 ] - [ -0.0001603800000000, 0.0004422100000000, 0.0002230500000000 ] - [ -0.0000008500000000, -0.0000481600000000, 0.0002309100000000 ] - [ 0.0004847600000000, 0.0000978100000000, 0.0001089400000000 ] - [ -0.0010785300000000, -0.0013827800000000, 0.0002350800000000 ] - [ -0.0000054400000000, 0.0005865900000000, 0.0000399200000000 ] - [ 0.0004060600000000, 0.0001774700000000, 0.0001114100000000 ] - [ 0.0006703100000000, -0.0001838400000000, 0.0000082200000000 ] - [ 0.0001745900000000, -0.0003519000000000, 0.0000207400000000 ] - [ 0.0009346200000000, -0.0002288300000000, 0.0000313700000000 ] - [ -0.0002643100000000, 0.0002724400000000, 0.0000311700000000 ] - [ 0.0014072200000000, -0.0003587000000000, -0.0003809200000000 ] - [ 0.0007978100000000, 0.0013086000000000, 0.0003094000000000 ] - [ 0.0022894200000000, 0.0012439800000000, -0.0005087500000000 ] - [ 0.0005998500000000, 0.0017462700000000, -0.0005835800000000 ] - [ 0.0062977800000000, -0.0020073000000000, 0.0024004500000000 ] - [ -0.0005427400000000, 0.0004618500000000, -0.0000320900000000 ] - [ -0.0006357700000000, 0.0004081900000000, -0.0000771300000000 ] - [ -0.0006470800000000, 0.0005517000000000, 0.0004632100000000 ] - [ 0.0012572800000000, -0.0000614800000000, 0.0004080600000000 ] - [ -0.0005575900000000, -0.0052700600000000, -0.0012467900000000 ] - [ 0.0008669700000000, 0.0010229300000000, -0.0000076200000000 ] - [ -0.0002482900000000, -0.0003317200000000, -0.0000381300000000 ] - [ -0.0017111200000000, -0.0004566700000000, 0.0002832600000000 ] - [ -0.0005488500000000, 0.0008203700000000, -0.0000570900000000 ] - [ 0.0004945700000000, -0.0008850200000000, 0.0003905500000000 ] - [ 0.0012210300000000, -0.0004570900000000, 0.0000855500000000 ] - [ -0.0004521400000000, -0.0006557300000000, -0.0000719400000000 ] - [ 0.0002222100000000, -0.0023979400000000, -0.0004667500000000 ] - [ 0.0005190900000000, 0.0006674000000000, 0.0003819200000000 ] - [ 0.0020433400000000, 0.0003847900000000, 0.0000287100000000 ] - [ 0.0020898900000000, -0.0009885700000000, 0.0003914900000000 ] - [ 0.0004617100000000, 0.0003977100000000, -0.0002064400000000 ] - [ -0.0197302000000000, 0.0002306800000000, 0.0000705100000000 ] - [ 0.0005403500000000, -0.0010433600000000, -0.0002318700000000 ] - [ -0.0012315000000000, -0.0013069000000000, -0.0004886800000000 ] - [ 0.0018481100000000, 0.0014305200000000, -0.0001545000000000 ] - [ 0.0004969400000000, 0.0001290500000000, -0.0006966800000000 ] - [ 0.0001370200000000, -0.0018683600000000, 0.0004064400000000 ] - [ 0.0005391600000000, 0.0001098100000000, 0.0002194600000000 ] - [ 0.0005504600000000, -0.0001402100000000, 0.0001123100000000 ] - [ -0.0395455600000000, 0.0016780800000000, -0.0042554100000000 ] - [ 0.0003902400000000, -0.0008421900000000, -0.0006337300000000 ] - [ 0.0006280800000000, -0.0003473200000000, -0.0005365000000000 ] - [ -0.0002300200000000, 0.0015786100000000, 0.0001038100000000 ] - [ 0.0010985400000000, 0.0001943300000000, 0.0000222200000000 ] - [ 0.0016066200000000, -0.0017420900000000, -0.0001533500000000 ] - [ -0.0016673000000000, 0.0006789800000000, -0.0005649300000000 ] - [ 0.0000245700000000, 0.0004536500000000, -0.0005512000000000 ] - [ 0.0056632800000000, -0.0002439700000000, -0.0047728500000000 ] - [ 0.0012142500000000, -0.0023828100000000, -0.0005046000000000 ] - [ 0.0018234800000000, -0.0002993800000000, -0.0004121300000000 ] - [ 0.0010575900000000, 0.0025082000000000, 0.0008161900000000 ] - [ -0.0020676400000000, -0.0021831800000000, 0.0003750600000000 ] - [ 0.0000918100000000, 0.0005036200000000, 0.0003174300000000 ] - [ 0.0018454800000000, 0.0003714200000000, -0.0005648900000000 ] - [ -0.0007408800000000, 0.0042826900000000, 0.0006057000000000 ] - [ 0.0002831100000000, -0.0003860100000000, 0.0003051100000000 ] - [ 0.0005168800000000, 0.0009841300000000, 0.0001743400000000 ] - [ -0.0005892200000000, -0.0008351400000000, -0.0000421800000000 ] - [ 0.0008684500000000, -0.0007658600000000, 0.0000396300000000 ] - [ -0.0001039500000000, -0.0005893300000000, 0.0000778900000000 ] - [ -0.0002544900000000, 0.0000237800000000, 0.0000469300000000 ] - [ -0.0001374500000000, -0.0002269700000000, -0.0000353000000000 ] - [ 0.0007531200000000, 0.0004197100000000, -0.0000315400000000 ] - [ 0.0047505400000000, 0.0011591000000000, -0.0030925400000000 ] - [ -0.0012988800000000, 0.0014276300000000, -0.0014562600000000 ] - [ -0.0007995500000000, 0.0000151300000000, -0.0000522200000000 ] - [ -0.0006169100000000, 0.0001408100000000, 0.0000993400000000 ] - [ -0.0007795000000000, -0.0007951200000000, -0.0005716900000000 ] - [ -0.0007881500000000, 0.0010588000000000, -0.0004517300000000 ] - [ 0.0004345600000000, -0.0006705400000000, 0.0001639800000000 ] - [ -0.0006104000000000, 0.0005795500000000, 0.0000292300000000 ] - [ 0.0005641100000000, 0.0003068500000000, 0.0000301900000000 ] - [ -0.0059537800000000, 0.0015468300000000, 0.0009975100000000 ] - [ -0.0003689800000000, 0.0002386100000000, -0.0000659900000000 ] - [ 0.0503058900000000, 0.0029973600000000, 0.0058374800000000 ] - [ -0.0001415200000000, -0.0006395000000000, 0.0000772700000000 ] - [ 0.0006749700000000, -0.0000803500000000, 0.0000235800000000 ] - [ -0.0014740300000000, -0.0012797100000000, -0.0004562900000000 ] - [ -0.0000754500000000, -0.0002515500000000, -0.0000106000000000 ] - [ -0.0002718300000000, 0.0010863100000000, 0.0008128000000000 ] - [ -0.0006012800000000, -0.0005524300000000, -0.0001022300000000 ] - [ -0.0012575100000000, 0.0005581000000000, -0.0003525400000000 ] - [ 0.0009412900000000, -0.0008315300000000, 0.0004475700000000 ] - [ -0.0008810500000000, -0.0012766000000000, -0.0001392600000000 ] - [ -0.0000224900000000, -0.0007590700000000, -0.0000695600000000 ] - [ 0.0011401400000000, -0.0010831000000000, 0.0001402300000000 ] - [ 0.0003944400000000, 0.0007570700000000, 0.0002124600000000 ] - [ -0.0001025300000000, -0.0006908200000000, 0.0001162000000000 ] - [ -0.0003854100000000, -0.0002904300000000, 0.0000751600000000 ] - [ 0.0009911600000000, 0.0011547600000000, 0.0001199200000000 ] - [ 0.0010738700000000, -0.0000806900000000, 0.0000329800000000 ] - [ -0.0009948800000000, 0.0009050500000000, -0.0000259300000000 ] - [ -0.0009986100000000, 0.0006054100000000, 0.0002432900000000 ] - [ -0.0004032400000000, -0.0007295400000000, 0.0000664000000000 ] - [ -0.0010610400000000, -0.0001804900000000, -0.0003626700000000 ] - [ 0.0001688600000000, 0.0002018200000000, -0.0001916000000000 ] - [ 0.0004404200000000, 0.0003804400000000, 0.0000487500000000 ] - [ 0.0009055200000000, -0.0006909000000000, -0.0002408500000000 ] - [ -0.0001991300000000, -0.0008452800000000, 0.0001994000000000 ] - [ 0.0015589100000000, 0.0017918400000000, -0.0001922300000000 ] - [ -0.0020108000000000, 0.0014517500000000, 0.0009348400000000 ] - [ -0.0008003800000000, 0.0005088100000000, 0.0000812100000000 ] - [ -0.0000386300000000, -0.0009529600000000, 0.0002545800000000 ] - [ 0.0009269000000000, -0.0068230200000000, -0.0070549700000000 ] - [ 0.0001365500000000, 0.0012863000000000, 0.0015391900000000 ] - [ 0.0000615700000000, -0.0003324100000000, -0.0001897300000000 ] - [ 0.0080695800000000, -0.0037403200000000, 0.0037313100000000 ] - [ -0.0000073000000000, -0.0011077800000000, -0.0005370300000000 ] - [ -0.0000909400000000, 0.0007820400000000, -0.0001620300000000 ] - [ -0.0002816600000000, -0.0000263800000000, 0.0008029900000000 ] - [ -0.0008765400000000, -0.0017670000000000, 0.0009159700000000 ] - [ -0.0002321600000000, 0.0006272400000000, -0.0002819800000000 ] - [ -0.0012465500000000, 0.0018689000000000, -0.0003160300000000 ] - [ -0.0019714000000000, 0.0034427900000000, 0.0082449600000000 ] - [ -0.0004413500000000, 0.0004441100000000, -0.0000653800000000 ] - [ -0.0003512900000000, -0.0009988600000000, -0.0000879900000000 ] - [ 0.0002110700000000, 0.0001823300000000, -0.0002089700000000 ] - [ -0.0006234600000000, -0.0000515100000000, 0.0007283300000000 ] - [ -0.0012953900000000, -0.0005571200000000, -0.0003172100000000 ] - [ 0.0002705500000000, 0.0012887500000000, 0.0001914200000000 ] - [ 0.0004631900000000, -0.0003785300000000, -0.0001030000000000 ] - [ -0.0011252200000000, 0.0005528300000000, -0.0001784600000000 ] - [ -0.0005314900000000, 0.0002347900000000, -0.0000549400000000 ] - [ 0.0007394500000000, -0.0009173400000000, -0.0002002400000000 ] - [ -0.0043675200000000, 0.0022207200000000, -0.0187286500000000 ] - [ -0.0006454800000000, 0.0003116400000000, -0.0002422700000000 ] - [ -0.0009652400000000, 0.0011608900000000, 0.0003439700000000 ] - [ -0.0007700800000000, 0.0000233100000000, -0.0000685400000000 ] - [ -0.0014626100000000, -0.0003260400000000, 0.0002021200000000 ] - [ 0.0001285300000000, 0.0002303500000000, -0.0001778900000000 ] - [ 0.0003087800000000, 0.0002970800000000, 0.0000973800000000 ] - [ -0.0005764900000000, 0.0001922100000000, 0.0000597500000000 ] - [ 0.0000035800000000, -0.0005295200000000, -0.0002685900000000 ] - [ -0.0009793800000000, -0.0000529600000000, 0.0001214300000000 ] - [ -0.0000390800000000, -0.0003421700000000, -0.0000544500000000 ] - [ -0.0002272800000000, -0.0004695100000000, -0.0001289200000000 ] - [ -0.0001030800000000, 0.0002811500000000, -0.0000829400000000 ] - [ 0.0002829100000000, 0.0008243400000000, -0.0000898400000000 ] - [ -0.0000926100000000, -0.0002606000000000, -0.0001293800000000 ] - [ -0.0007020500000000, -0.0002606900000000, 0.0002077200000000 ] - [ -0.0007546000000000, 0.0004829300000000, -0.0001259500000000 ] - [ 0.0000336800000000, 0.0003077200000000, 0.0000257000000000 ] - [ -0.0002197100000000, -0.0012061400000000, -0.0003863100000000 ] - [ -0.0007101000000000, 0.0002748600000000, -0.0000637200000000 ] - [ -0.0008755500000000, -0.0001537300000000, 0.0000307200000000 ] - [ -0.0006851100000000, -0.0004027000000000, -0.0000585600000000 ] - [ -0.0012324100000000, -0.0004349800000000, 0.0001715800000000 ] - [ -0.0007647500000000, 0.0008370000000000, 0.0001013100000000 ] - [ -0.0000869000000000, 0.0004146400000000, 0.0008117900000000 ] - [ -0.0001026900000000, -0.0006085900000000, -0.0003082500000000 ] - [ 0.0021142800000000, 0.0030619500000000, 0.0158849400000000 ] - [ -0.0003419100000000, 0.0002590300000000, 0.0000933200000000 ] - [ -0.0011164300000000, -0.0003028200000000, 0.0001366800000000 ]- atom: 90 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0005745800000000, -0.0010417500000000, 0.0000914600000000 ] - [ -0.0001439100000000, -0.0000076900000000, 0.0000669500000000 ] - [ 0.0004577500000000, 0.0001244300000000, 0.0002435000000000 ] - [ -0.0002470400000000, -0.0003961000000000, 0.0002187200000000 ] - [ -0.0014097700000000, 0.0010053100000000, 0.0003150700000000 ] - [ 0.0005900600000000, 0.0002271500000000, 0.0001916300000000 ] - [ 0.0002973300000000, -0.0003625800000000, 0.0000562700000000 ] - [ 0.0004477600000000, -0.0006506600000000, 0.0001252900000000 ] - [ 0.0006112800000000, 0.0028905600000000, 0.0000881300000000 ] - [ -0.0011422900000000, 0.0027289600000000, 0.0003374500000000 ] - [ 0.0002985200000000, -0.0003217500000000, -0.0000086000000000 ] - [ 0.0001544200000000, 0.0015815500000000, -0.0002058100000000 ] - [ -0.0001095000000000, 0.0000072800000000, 0.0000566600000000 ] - [ 0.0004085800000000, -0.0006426600000000, 0.0002171300000000 ] - [ -0.0005136300000000, -0.0003424800000000, 0.0001709300000000 ] - [ 0.0001475300000000, -0.0003060600000000, 0.0002398200000000 ] - [ 0.0000946800000000, 0.0000544100000000, 0.0001050100000000 ] - [ 0.0011183900000000, -0.0027135800000000, -0.0001746400000000 ] - [ -0.0003675000000000, -0.0000874400000000, 0.0000232100000000 ] - [ 0.0000453800000000, 0.0000873700000000, 0.0001186000000000 ] - [ 0.0005443400000000, -0.0000774800000000, 0.0000119100000000 ] - [ 0.0002825600000000, -0.0004011200000000, 0.0000243300000000 ] - [ 0.0005420400000000, 0.0000272700000000, 0.0000358000000000 ] - [ -0.0003660300000000, -0.0003623600000000, 0.0000383700000000 ] - [ 0.0006413700000000, 0.0004403400000000, -0.0002250600000000 ] - [ -0.0014001100000000, 0.0010470900000000, 0.0002953400000000 ] - [ 0.0007000100000000, 0.0011200700000000, 0.0003344400000000 ] - [ -0.0047297000000000, -0.0025471200000000, 0.0019133900000000 ] - [ 0.0037038900000000, 0.0008204800000000, 0.0019124200000000 ] - [ -0.0015146800000000, -0.0006547300000000, -0.0002256400000000 ] - [ -0.0013540600000000, -0.0007274500000000, -0.0000531300000000 ] - [ -0.0000049400000000, -0.0012937900000000, 0.0004389100000000 ] - [ 0.0005986300000000, 0.0002253600000000, 0.0003954700000000 ] - [ 0.0014741600000000, -0.0028923900000000, -0.0026295600000000 ] - [ 0.0006596900000000, 0.0005465400000000, -0.0000490700000000 ] - [ 0.0001164900000000, -0.0012613200000000, -0.0000364300000000 ] - [ -0.0010886200000000, -0.0017605600000000, 0.0006937100000000 ] - [ -0.0010599700000000, -0.0001771300000000, -0.0000036300000000 ] - [ 0.0006736800000000, -0.0008262600000000, 0.0003852100000000 ] - [ 0.0009810000000000, -0.0004154200000000, 0.0000838400000000 ] - [ 0.0007886200000000, -0.0009245900000000, -0.0000332400000000 ] - [ 0.0005242900000000, -0.0013615300000000, -0.0004556000000000 ] - [ -0.0002758600000000, -0.0003062400000000, 0.0003784000000000 ] - [ 0.0011210400000000, 0.0005229700000000, -0.0000823300000000 ] - [ 0.0027627100000000, -0.0002582200000000, 0.0001609600000000 ] - [ 0.0000578000000000, 0.0000856900000000, -0.0002215600000000 ] - [ -0.0096740000000000, 0.0265242900000000, 0.0291593500000000 ] - [ 0.0010871000000000, -0.0014205900000000, -0.0002520600000000 ] - [ -0.0008523200000000, -0.0033534200000000, -0.0010846300000000 ] - [ -0.0005315400000000, 0.0005241900000000, -0.0001519400000000 ] - [ 0.0000055600000000, -0.0004179200000000, -0.0007114000000000 ] - [ 0.0012314300000000, -0.0018979200000000, 0.0003986800000000 ] - [ 0.0000724600000000, -0.0011145800000000, 0.0002409500000000 ] - [ 0.0004176900000000, -0.0006097800000000, 0.0001262400000000 ] - [ -0.0215040900000000, 0.0473958700000000, -0.0463044200000000 ] - [ 0.0010625600000000, -0.0012188300000000, -0.0006414800000000 ] - [ 0.0008046500000000, -0.0004432800000000, -0.0005664300000000 ] - [ -0.0017861500000000, 0.0001405200000000, 0.0003450800000000 ] - [ 0.0000826800000000, 0.0000544500000000, 0.0001451200000000 ] - [ 0.0024096400000000, -0.0003707000000000, -0.0000268200000000 ] - [ -0.0002148200000000, -0.0016137000000000, -0.0002551700000000 ] - [ -0.0006904500000000, -0.0006243900000000, -0.0005685600000000 ] - [ 0.0056264000000000, 0.0026598100000000, -0.0018397200000000 ] - [ 0.0013131300000000, -0.0013678000000000, -0.0003659700000000 ] - [ 0.0006514100000000, 0.0007733900000000, -0.0006987500000000 ] - [ -0.0006646600000000, 0.0024143000000000, -0.0002072300000000 ] - [ 0.0019566000000000, -0.0024970300000000, 0.0013609900000000 ] - [ 0.0007172700000000, -0.0003812000000000, 0.0003525700000000 ] - [ 0.0010683000000000, 0.0006306300000000, -0.0005798000000000 ] - [ -0.0011279100000000, -0.0019794300000000, -0.0008764200000000 ] - [ 0.0000801700000000, -0.0002241100000000, 0.0002633600000000 ] - [ -0.0001982400000000, -0.0003649800000000, 0.0001433000000000 ] - [ 0.0011108000000000, -0.0008250600000000, 0.0001727300000000 ] - [ 0.0007810300000000, 0.0021449700000000, -0.0000663800000000 ] - [ 0.0007720500000000, 0.0001592500000000, 0.0000957600000000 ] - [ -0.0001874800000000, 0.0012387900000000, 0.0000986800000000 ] - [ -0.0000320300000000, 0.0002753200000000, 0.0000599900000000 ] - [ 0.0005864200000000, 0.0009638900000000, 0.0002228400000000 ] - [ 0.0007120500000000, -0.0004662900000000, -0.0089474900000000 ] - [ -0.0030209900000000, 0.0003012700000000, -0.0009555500000000 ] - [ -0.0002685900000000, 0.0002949200000000, -0.0000298900000000 ] - [ -0.0005002500000000, 0.0002955300000000, 0.0001121400000000 ] - [ 0.0004131200000000, -0.0014103200000000, -0.0000688700000000 ] - [ -0.0012698500000000, 0.0013525000000000, -0.0005847000000000 ] - [ 0.0008805200000000, -0.0001105600000000, -0.0000010600000000 ] - [ -0.0006284700000000, 0.0006581400000000, 0.0000077400000000 ] - [ 0.0001158000000000, 0.0005260900000000, -0.0000539800000000 ] - [ -0.0038719400000000, -0.0007637600000000, 0.0003131600000000 ] - [ -0.0004566900000000, 0.0002402400000000, -0.0000443900000000 ] - [ 0.0227096800000000, -0.0716293300000000, 0.0242676100000000 ] - [ 0.0005259100000000, 0.0004359400000000, -0.0001118500000000 ] - [ -0.0001958800000000, 0.0003193300000000, 0.0000759100000000 ] - [ -0.0007044100000000, -0.0014832500000000, -0.0001695900000000 ] - [ 0.0004863900000000, 0.0002640700000000, -0.0000923500000000 ] - [ -0.0006686100000000, 0.0005324800000000, 0.0007306800000000 ] - [ -0.0002167000000000, -0.0002220200000000, -0.0000467000000000 ] - [ -0.0011895200000000, 0.0002805700000000, -0.0003505000000000 ] - [ 0.0015851900000000, 0.0005177600000000, -0.0007294500000000 ] - [ 0.0016083000000000, -0.0007192000000000, -0.0001805700000000 ] - [ 0.0001746200000000, -0.0000476300000000, -0.0000963500000000 ] - [ 0.0002649900000000, 0.0012685200000000, 0.0001845800000000 ] - [ -0.0001915100000000, 0.0018502700000000, 0.0001920500000000 ] - [ 0.0002403900000000, -0.0001075600000000, 0.0000848100000000 ] - [ -0.0002197600000000, 0.0001878200000000, 0.0000502600000000 ] - [ -0.0001188500000000, 0.0014657200000000, -0.0007446100000000 ] - [ -0.0000639600000000, 0.0005488000000000, -0.0001259500000000 ] - [ -0.0009203400000000, -0.0000585800000000, -0.0000212100000000 ] - [ -0.0011312700000000, 0.0003230200000000, 0.0001903400000000 ] - [ -0.0001758300000000, -0.0000206700000000, 0.0000060200000000 ] - [ -0.0010863300000000, -0.0008574100000000, -0.0004030000000000 ] - [ 0.0002995200000000, 0.0008011400000000, -0.0002560900000000 ] - [ -0.0000042600000000, 0.0013196100000000, 0.0000067900000000 ] - [ 0.0011324500000000, 0.0002613100000000, 0.0002552700000000 ] - [ 0.0007233000000000, 0.0001365900000000, 0.0001270400000000 ] - [ 0.0002949700000000, 0.0027595700000000, 0.0015952800000000 ] - [ -0.0018553300000000, 0.0003804200000000, 0.0004444200000000 ] - [ -0.0010741000000000, 0.0003982500000000, 0.0001598100000000 ] - [ 0.0005335900000000, -0.0005660300000000, 0.0000486400000000 ] - [ 0.0050749300000000, 0.0007401300000000, 0.0048723900000000 ] - [ -0.0008468600000000, 0.0009387800000000, 0.0007197700000000 ] - [ 0.0006019900000000, 0.0002575400000000, -0.0000276800000000 ] - [ 0.0084748600000000, 0.0108483100000000, -0.0172963800000000 ] - [ 0.0006962900000000, -0.0007101000000000, -0.0001795500000000 ] - [ -0.0000875900000000, 0.0006229900000000, -0.0001669200000000 ] - [ -0.0000882300000000, 0.0001564000000000, 0.0007884800000000 ] - [ -0.0004095700000000, -0.0027175200000000, 0.0003394300000000 ] - [ -0.0006244600000000, 0.0001991200000000, -0.0001692400000000 ] - [ -0.0010738900000000, 0.0002693400000000, -0.0002065400000000 ] - [ -0.0048853000000000, -0.0010970300000000, 0.0074764300000000 ] - [ 0.0000734400000000, 0.0001376100000000, -0.0000055000000000 ] - [ 0.0006746700000000, -0.0005010400000000, -0.0001880400000000 ] - [ 0.0000610300000000, 0.0005687300000000, -0.0002144500000000 ] - [ -0.0001910600000000, -0.0003567000000000, 0.0007661700000000 ] - [ -0.0001669900000000, -0.0004166500000000, 0.0000257800000000 ] - [ -0.0002963000000000, 0.0009678500000000, 0.0001036400000000 ] - [ 0.0000555900000000, 0.0004518100000000, -0.0002748100000000 ] - [ -0.0012088500000000, -0.0000802800000000, -0.0001743300000000 ] - [ -0.0003201100000000, 0.0002478300000000, -0.0000581700000000 ] - [ 0.0009471000000000, 0.0005375900000000, -0.0005967800000000 ] - [ -0.0013560300000000, -0.0058576100000000, -0.0088025300000000 ] - [ -0.0005241600000000, 0.0002088300000000, -0.0002278300000000 ] - [ -0.0021630500000000, 0.0004125400000000, 0.0002611600000000 ] - [ -0.0004538400000000, -0.0000997800000000, -0.0000534000000000 ] - [ -0.0005050600000000, -0.0003483600000000, -0.0001059400000000 ] - [ -0.0003169300000000, 0.0003339200000000, -0.0002092300000000 ] - [ 0.0001144400000000, 0.0004149200000000, 0.0000862900000000 ] - [ -0.0001761800000000, 0.0001782100000000, 0.0000812500000000 ] - [ 0.0007189600000000, 0.0005838600000000, -0.0000324300000000 ] - [ -0.0007293500000000, -0.0001536200000000, 0.0000857200000000 ] - [ 0.0003063900000000, 0.0001184500000000, -0.0000477400000000 ] - [ 0.0000245800000000, 0.0006929500000000, -0.0000671200000000 ] - [ -0.0006480000000000, 0.0006885300000000, 0.0000113700000000 ] - [ 0.0000338100000000, 0.0009236200000000, -0.0001203100000000 ] - [ -0.0000991100000000, 0.0002857500000000, -0.0002236600000000 ] - [ 0.0003554400000000, -0.0006604900000000, 0.0000036900000000 ] - [ -0.0002614600000000, 0.0002277500000000, -0.0001018900000000 ] - [ -0.0004369900000000, 0.0005590200000000, 0.0000908500000000 ] - [ 0.0018735100000000, 0.0003431200000000, -0.0004526600000000 ] - [ -0.0006925200000000, 0.0004421000000000, -0.0000221600000000 ] - [ -0.0001442000000000, -0.0003814000000000, 0.0000276200000000 ] - [ -0.0003598400000000, -0.0001617000000000, -0.0001246300000000 ] - [ -0.0006097400000000, -0.0006505500000000, 0.0001662500000000 ] - [ -0.0006572800000000, 0.0009268100000000, 0.0001020900000000 ] - [ -0.0003807700000000, 0.0006237600000000, 0.0008463500000000 ] - [ -0.0000769400000000, -0.0001407200000000, -0.0001931400000000 ] - [ -0.0015627800000000, -0.0057180600000000, 0.0149990000000000 ] - [ 0.0001718700000000, 0.0006271200000000, 0.0001833600000000 ] - [ -0.0008374400000000, -0.0003382800000000, 0.0001151000000000 ]- atom: 90 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0006183800000000, 0.0010703100000000, 0.0001351700000000 ] - [ 0.0001430100000000, 0.0000069900000000, 0.0000568700000000 ] - [ -0.0003460700000000, 0.0000232600000000, 0.0002149400000000 ] - [ 0.0001349400000000, 0.0002476800000000, 0.0002398800000000 ] - [ 0.0011202000000000, -0.0012052800000000, -0.0002771800000000 ] - [ -0.0004047000000000, -0.0002492100000000, 0.0002689900000000 ] - [ -0.0002969300000000, 0.0003630200000000, 0.0000510900000000 ] - [ -0.0004005800000000, 0.0006182900000000, 0.0001017400000000 ] - [ -0.0006369200000000, -0.0028900000000000, 0.0000185400000000 ] - [ 0.0012789000000000, -0.0028082500000000, 0.0001229700000000 ] - [ -0.0000054500000000, 0.0005266300000000, 0.0000425100000000 ] - [ -0.0001589100000000, -0.0015823100000000, 0.0002618300000000 ] - [ 0.0001095700000000, -0.0000068600000000, 0.0000671500000000 ] - [ -0.0004582300000000, 0.0006163300000000, 0.0000118000000000 ] - [ 0.0003289300000000, 0.0003634100000000, 0.0002887900000000 ] - [ -0.0002202000000000, 0.0004740700000000, 0.0002198600000000 ] - [ -0.0001001900000000, -0.0001108500000000, 0.0001210300000000 ] - [ -0.0010717400000000, 0.0027555900000000, 0.0004000500000000 ] - [ 0.0003344800000000, 0.0004439700000000, 0.0000109200000000 ] - [ -0.0000409600000000, -0.0000315900000000, 0.0001074200000000 ] - [ -0.0002182900000000, -0.0000757200000000, 0.0000234100000000 ] - [ -0.0002837200000000, 0.0003995400000000, 0.0000289700000000 ] - [ -0.0005095600000000, -0.0003849200000000, -0.0000020400000000 ] - [ 0.0000393300000000, 0.0005137000000000, -0.0000029900000000 ] - [ -0.0007793300000000, -0.0017192600000000, -0.0002757200000000 ] - [ 0.0011296500000000, -0.0006908000000000, -0.0003402400000000 ] - [ 0.0006000500000000, -0.0022162000000000, -0.0004416400000000 ] - [ 0.0058867900000000, 0.0030686400000000, -0.0024057100000000 ] - [ -0.0036953100000000, -0.0007888800000000, -0.0011371100000000 ] - [ 0.0012046900000000, -0.0010075200000000, 0.0001165000000000 ] - [ -0.0002470100000000, 0.0001555700000000, -0.0000504100000000 ] - [ 0.0000231700000000, 0.0012466500000000, 0.0003639900000000 ] - [ -0.0006486900000000, -0.0002131400000000, 0.0004084700000000 ] - [ -0.0025280900000000, 0.0036975000000000, 0.0021000500000000 ] - [ -0.0003523300000000, 0.0011161000000000, -0.0000591400000000 ] - [ -0.0005484000000000, 0.0011962600000000, -0.0000053800000000 ] - [ 0.0011091600000000, 0.0018005300000000, 0.0001082200000000 ] - [ -0.0002423000000000, 0.0012730800000000, -0.0001050400000000 ] - [ -0.0006943600000000, 0.0007845800000000, 0.0004137900000000 ] - [ -0.0007143100000000, 0.0000582200000000, -0.0001295300000000 ] - [ -0.0006112000000000, 0.0013399600000000, -0.0000036200000000 ] - [ -0.0016950900000000, 0.0008302300000000, -0.0000421900000000 ] - [ 0.0003244400000000, 0.0002928300000000, 0.0004252300000000 ] - [ 0.0004796000000000, 0.0000480500000000, -0.0000209000000000 ] - [ -0.0023250900000000, 0.0003217300000000, -0.0002019400000000 ] - [ 0.0000779300000000, 0.0011924300000000, -0.0002789900000000 ] - [ 0.0093409700000000, -0.0265820300000000, -0.0291339400000000 ] - [ -0.0000374400000000, 0.0006633000000000, -0.0002458000000000 ] - [ 0.0011229700000000, 0.0023146600000000, -0.0000537700000000 ] - [ 0.0021929000000000, -0.0001477000000000, 0.0008258900000000 ] - [ -0.0002244500000000, 0.0010463100000000, -0.0005630400000000 ] - [ -0.0000602100000000, 0.0006542400000000, 0.0002713300000000 ] - [ 0.0005885700000000, 0.0005551900000000, 0.0001191300000000 ] - [ -0.0005782500000000, -0.0002185600000000, 0.0002238600000000 ] - [ 0.0200555500000000, -0.0456248700000000, 0.0470373200000000 ] - [ -0.0003451200000000, 0.0011001300000000, -0.0006250200000000 ] - [ -0.0010751100000000, 0.0014765400000000, -0.0005692300000000 ] - [ 0.0019437900000000, 0.0006860100000000, 0.0000066700000000 ] - [ -0.0008617000000000, -0.0003428300000000, 0.0002040200000000 ] - [ -0.0029069200000000, -0.0012529300000000, 0.0006955000000000 ] - [ -0.0008383000000000, 0.0018915300000000, -0.0008835500000000 ] - [ -0.0000539100000000, -0.0001481200000000, -0.0005672800000000 ] - [ -0.0045730100000000, -0.0029400200000000, 0.0007052100000000 ] - [ -0.0017282000000000, 0.0007941800000000, -0.0009084700000000 ] - [ -0.0004349500000000, -0.0014009800000000, -0.0005755500000000 ] - [ 0.0000030600000000, -0.0018497100000000, 0.0005625500000000 ] - [ -0.0026929500000000, 0.0026365400000000, -0.0025936500000000 ] - [ -0.0002163800000000, 0.0020071700000000, 0.0003189000000000 ] - [ -0.0003255900000000, 0.0001397000000000, -0.0005559500000000 ] - [ 0.0015447000000000, 0.0025298900000000, -0.0003981100000000 ] - [ -0.0017444600000000, -0.0001540500000000, 0.0004109400000000 ] - [ 0.0009753900000000, 0.0006519300000000, 0.0002051800000000 ] - [ -0.0004917700000000, 0.0011191700000000, 0.0000088200000000 ] - [ -0.0000549200000000, -0.0017904800000000, 0.0003293000000000 ] - [ 0.0000923700000000, 0.0000997400000000, 0.0001689800000000 ] - [ -0.0005970900000000, -0.0007782500000000, -0.0000191700000000 ] - [ 0.0002013300000000, -0.0004298700000000, -0.0001024900000000 ] - [ -0.0004020400000000, -0.0006812700000000, -0.0003410000000000 ] - [ -0.0006384400000000, 0.0009395700000000, 0.0085809900000000 ] - [ 0.0019219700000000, -0.0003406000000000, 0.0009403100000000 ] - [ -0.0004419100000000, -0.0000433700000000, -0.0000220900000000 ] - [ -0.0000650300000000, 0.0000904100000000, 0.0000647800000000 ] - [ 0.0002059500000000, 0.0004303000000000, 0.0000896600000000 ] - [ -0.0001279700000000, -0.0004551800000000, -0.0001296000000000 ] - [ -0.0003141700000000, -0.0002758600000000, 0.0001774700000000 ] - [ 0.0006183600000000, 0.0002525800000000, 0.0000711000000000 ] - [ 0.0009771800000000, -0.0004872200000000, 0.0000522900000000 ] - [ 0.0037412200000000, 0.0010729700000000, -0.0004309500000000 ] - [ 0.0002721100000000, -0.0005225700000000, -0.0000758100000000 ] - [ -0.0221089900000000, 0.0710678900000000, -0.0249247800000000 ] - [ -0.0004742700000000, -0.0002155500000000, 0.0000708200000000 ] - [ 0.0004160200000000, -0.0008150700000000, 0.0000108000000000 ] - [ 0.0012322400000000, 0.0016564000000000, 0.0000381000000000 ] - [ -0.0002647600000000, -0.0002013700000000, 0.0000485800000000 ] - [ 0.0008253900000000, -0.0005041900000000, 0.0008892300000000 ] - [ 0.0001658400000000, 0.0000004800000000, 0.0000057800000000 ] - [ 0.0008025600000000, 0.0000160100000000, 0.0000205500000000 ] - [ -0.0011574600000000, -0.0008950600000000, 0.0005932100000000 ] - [ -0.0030801600000000, -0.0000376300000000, -0.0005306500000000 ] - [ -0.0002875600000000, -0.0005051800000000, -0.0000433800000000 ] - [ -0.0003857500000000, -0.0005460400000000, -0.0002287800000000 ] - [ 0.0004036900000000, -0.0009745100000000, 0.0000755500000000 ] - [ -0.0002909100000000, -0.0005736900000000, 0.0000907100000000 ] - [ -0.0003959400000000, -0.0004834100000000, 0.0001287800000000 ] - [ -0.0004472900000000, -0.0019549400000000, 0.0006840200000000 ] - [ 0.0007164800000000, -0.0011667300000000, 0.0003908000000000 ] - [ 0.0010031200000000, 0.0017107000000000, -0.0006920400000000 ] - [ 0.0008200700000000, -0.0007736500000000, -0.0001057100000000 ] - [ -0.0006223600000000, -0.0004252700000000, 0.0000769300000000 ] - [ 0.0006297800000000, 0.0006613100000000, 0.0000663500000000 ] - [ 0.0001563300000000, -0.0006060400000000, -0.0000803000000000 ] - [ 0.0003140600000000, -0.0008678600000000, 0.0000770100000000 ] - [ -0.0011213200000000, -0.0011710900000000, -0.0001751700000000 ] - [ -0.0001770500000000, -0.0001855000000000, -0.0000407700000000 ] - [ -0.0009632600000000, -0.0023183100000000, -0.0013218500000000 ] - [ 0.0011281800000000, -0.0007333000000000, -0.0001830400000000 ] - [ 0.0008602200000000, -0.0012701400000000, 0.0001066300000000 ] - [ -0.0007010200000000, 0.0007196500000000, -0.0000907600000000 ] - [ -0.0045643000000000, 0.0002751500000000, -0.0048717200000000 ] - [ 0.0009627500000000, -0.0010787700000000, 0.0008963200000000 ] - [ -0.0002578100000000, -0.0003207800000000, -0.0002381200000000 ] - [ -0.0086398700000000, -0.0110602500000000, 0.0174821800000000 ] - [ -0.0007907800000000, 0.0010008600000000, -0.0001031700000000 ] - [ 0.0015580500000000, 0.0001346000000000, -0.0005451800000000 ] - [ 0.0000333200000000, -0.0003064100000000, 0.0008265400000000 ] - [ 0.0011956400000000, 0.0022586200000000, -0.0002614700000000 ] - [ 0.0000896100000000, -0.0011787800000000, 0.0001708700000000 ] - [ 0.0011859300000000, -0.0009789500000000, 0.0001678300000000 ] - [ 0.0042576500000000, 0.0017213400000000, -0.0072803200000000 ] - [ 0.0007243800000000, 0.0003098100000000, 0.0000886800000000 ] - [ -0.0003949500000000, 0.0002384700000000, -0.0002445100000000 ] - [ 0.0003033400000000, -0.0004591300000000, -0.0002136300000000 ] - [ 0.0002468800000000, 0.0005061300000000, 0.0008483500000000 ] - [ -0.0000558800000000, 0.0003526200000000, -0.0000679500000000 ] - [ 0.0003641400000000, -0.0008564300000000, -0.0000889800000000 ] - [ 0.0001006500000000, -0.0007530500000000, 0.0001548800000000 ] - [ 0.0008433000000000, -0.0000298600000000, -0.0002526400000000 ] - [ 0.0003939900000000, -0.0003726300000000, 0.0000740500000000 ] - [ -0.0011022000000000, -0.0005625900000000, 0.0022234900000000 ] - [ 0.0011067800000000, 0.0064178200000000, 0.0089064600000000 ] - [ 0.0002448100000000, 0.0000535000000000, -0.0002046300000000 ] - [ 0.0022932500000000, -0.0004207800000000, -0.0002373000000000 ] - [ 0.0001148300000000, 0.0001137900000000, -0.0000689000000000 ] - [ 0.0001620200000000, 0.0004112000000000, -0.0001601200000000 ] - [ 0.0002265800000000, -0.0007026400000000, -0.0002216100000000 ] - [ 0.0005532600000000, -0.0008545500000000, 0.0001722400000000 ] - [ 0.0002274100000000, 0.0005034700000000, 0.0000941500000000 ] - [ -0.0005061700000000, -0.0003299500000000, -0.0002379900000000 ] - [ 0.0001844200000000, 0.0002024600000000, -0.0000002200000000 ] - [ 0.0000328000000000, -0.0001326200000000, -0.0000746300000000 ] - [ -0.0005588300000000, -0.0008694900000000, -0.0000672800000000 ] - [ 0.0005847100000000, -0.0011789100000000, -0.0003473800000000 ] - [ 0.0005316800000000, -0.0004359600000000, 0.0000705000000000 ] - [ 0.0001940300000000, -0.0005784100000000, -0.0000603400000000 ] - [ -0.0004286200000000, 0.0007854400000000, 0.0000125800000000 ] - [ 0.0003748100000000, 0.0003259100000000, -0.0000383600000000 ] - [ 0.0003037300000000, -0.0005556700000000, -0.0000751400000000 ] - [ -0.0014849100000000, -0.0006363500000000, 0.0001223100000000 ] - [ 0.0002661300000000, -0.0000637600000000, -0.0001112600000000 ] - [ 0.0008563600000000, 0.0001311200000000, -0.0000804500000000 ] - [ 0.0001478100000000, -0.0000909300000000, -0.0001464100000000 ] - [ 0.0005795000000000, -0.0001534500000000, 0.0000934600000000 ] - [ 0.0000397600000000, 0.0000523500000000, -0.0000810500000000 ] - [ 0.0002706700000000, -0.0004959200000000, 0.0007778900000000 ] - [ -0.0000057100000000, -0.0015136400000000, -0.0005202700000000 ] - [ 0.0029629100000000, 0.0047591700000000, -0.0156912900000000 ] - [ -0.0001399400000000, 0.0001773800000000, 0.0000772000000000 ] - [ -0.0000244100000000, 0.0000815800000000, 0.0001495600000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001052500000000, 0.0001055300000000, 0.0007510200000000 ] - [ 0.0000017800000000, -0.0000179600000000, -0.0000524000000000 ] - [ 0.0000534200000000, 0.0000720000000000, 0.0003280000000000 ] - [ -0.0000418700000000, -0.0000651900000000, 0.0001461900000000 ] - [ 0.0002355700000000, -0.0006434600000000, -0.0037403300000000 ] - [ 0.0000510200000000, 0.0000634000000000, -0.0003999300000000 ] - [ -0.0000171500000000, 0.0000116700000000, -0.0000488300000000 ] - [ -0.0000429000000000, 0.0000437900000000, -0.0002317400000000 ] - [ -0.0004263000000000, -0.0000110600000000, 0.0041316600000000 ] - [ 0.0003302400000000, 0.0001412900000000, 0.0037670400000000 ] - [ 0.0001285700000000, 0.0001391300000000, 0.0001366200000000 ] - [ 0.0002840000000000, 0.0003687500000000, -0.0029015100000000 ] - [ 0.0000139600000000, -0.0000100300000000, 0.0001698600000000 ] - [ -0.0002565000000000, 0.0002089500000000, -0.0025703200000000 ] - [ -0.0000209700000000, 0.0000377100000000, 0.0006380100000000 ] - [ -0.0000628900000000, 0.0001065400000000, 0.0001545800000000 ] - [ -0.0000038500000000, -0.0000239800000000, 0.0002127100000000 ] - [ -0.0001950200000000, -0.0001777900000000, 0.0024707300000000 ] - [ 0.0000148200000000, 0.0001179600000000, -0.0003128400000000 ] - [ 0.0000027000000000, 0.0000366400000000, 0.0000188600000000 ] - [ 0.0001475100000000, -0.0000782700000000, -0.0001168100000000 ] - [ -0.0000259700000000, 0.0000215900000000, 0.0001242000000000 ] - [ 0.0000583600000000, -0.0001534800000000, 0.0003440900000000 ] - [ -0.0001588000000000, 0.0001053500000000, 0.0001663800000000 ] - [ 0.0004489600000000, -0.0004344200000000, -0.0005167700000000 ] - [ -0.0015955800000000, -0.0001119100000000, 0.0008853900000000 ] - [ 0.0016627000000000, 0.0005990600000000, 0.0009498600000000 ] - [ 0.0064157300000000, 0.0066662400000000, -0.0061969000000000 ] - [ -0.0117916300000000, 0.0029398400000000, 0.0079599000000000 ] - [ -0.0002227400000000, -0.0013072900000000, -0.0003273300000000 ] - [ -0.0006986400000000, -0.0002363100000000, 0.0000603300000000 ] - [ 0.0003093300000000, -0.0010756100000000, -0.0003404500000000 ] - [ -0.0000628900000000, 0.0000287600000000, 0.0002796400000000 ] - [ 0.0047454400000000, -0.0134026100000000, -0.0041073300000000 ] - [ 0.0001203900000000, 0.0008468400000000, 0.0000456500000000 ] - [ -0.0001989800000000, -0.0002563000000000, -0.0002010200000000 ] - [ 0.0009527500000000, 0.0017561900000000, -0.0006656600000000 ] - [ -0.0005179000000000, 0.0007577300000000, -0.0002262700000000 ] - [ 0.0000885600000000, -0.0002468400000000, 0.0005767000000000 ] - [ -0.0001048800000000, -0.0001181100000000, -0.0002734200000000 ] - [ -0.0001245000000000, 0.0005716400000000, -0.0002916700000000 ] - [ -0.0000709000000000, -0.0017281900000000, 0.0005287900000000 ] - [ 0.0001749100000000, 0.0001324500000000, 0.0005480100000000 ] - [ 0.0005009100000000, 0.0002944000000000, -0.0002813300000000 ] - [ -0.0020612000000000, 0.0004104300000000, 0.0006748200000000 ] - [ 0.0000851200000000, 0.0006786900000000, -0.0001704200000000 ] - [ -0.0002005700000000, 0.0330615300000000, 0.1336943900000000 ] - [ 0.0004784000000000, -0.0003311700000000, -0.0001238200000000 ] - [ -0.0005986100000000, -0.0026852600000000, -0.0020595100000000 ] - [ 0.0023050300000000, 0.0008975800000000, 0.0018659500000000 ] - [ -0.0001274400000000, 0.0003234300000000, -0.0005373400000000 ] - [ 0.0006318900000000, -0.0009851500000000, 0.0000729600000000 ] - [ 0.0003590300000000, -0.0004555100000000, 0.0000234800000000 ] - [ -0.0001104800000000, -0.0003976400000000, 0.0002668000000000 ] - [ 0.0036811900000000, -0.0541844200000000, 0.2305434800000000 ] - [ 0.0002668100000000, 0.0000111400000000, -0.0004937000000000 ] - [ -0.0004594300000000, 0.0008225500000000, -0.0002901500000000 ] - [ 0.0005706700000000, 0.0008825400000000, -0.0002800500000000 ] - [ -0.0001423300000000, -0.0000816300000000, -0.0001383200000000 ] - [ 0.0016996000000000, -0.0007160100000000, 0.0013723700000000 ] - [ -0.0013834900000000, 0.0015633700000000, -0.0016156900000000 ] - [ -0.0004686400000000, -0.0005837900000000, -0.0003772200000000 ] - [ 0.0131880700000000, 0.0016418500000000, 0.0048155300000000 ] - [ -0.0013340400000000, 0.0011167700000000, 0.0007126000000000 ] - [ -0.0003143700000000, -0.0004797200000000, -0.0012112700000000 ] - [ -0.0010450200000000, -0.0016847300000000, 0.0013832100000000 ] - [ -0.0116318800000000, 0.0110666500000000, -0.0053820700000000 ] - [ 0.0001105000000000, 0.0011551100000000, 0.0000951200000000 ] - [ 0.0004079000000000, 0.0004229100000000, -0.0007302300000000 ] - [ -0.0001973800000000, -0.0090030200000000, -0.0076966000000000 ] - [ -0.0005915600000000, -0.0001759000000000, 0.0000909800000000 ] - [ 0.0004035100000000, 0.0000875200000000, 0.0002873300000000 ] - [ 0.0001321100000000, 0.0002756700000000, -0.0011583400000000 ] - [ 0.0001309800000000, -0.0025647200000000, 0.0007003000000000 ] - [ 0.0007514100000000, 0.0003198400000000, 0.0000218300000000 ] - [ -0.0003576100000000, -0.0003290000000000, 0.0001177900000000 ] - [ 0.0000825200000000, -0.0001346200000000, -0.0000319600000000 ] - [ 0.0000529600000000, 0.0002060000000000, 0.0014502700000000 ] - [ 0.0076971300000000, -0.0122386500000000, 0.0216089000000000 ] - [ 0.0036557100000000, -0.0015629800000000, 0.0001052100000000 ] - [ -0.0004087600000000, 0.0001046300000000, -0.0000398900000000 ] - [ -0.0002681400000000, 0.0001887400000000, -0.0000144800000000 ] - [ 0.0008877800000000, -0.0005788700000000, 0.0000660600000000 ] - [ -0.0007381100000000, 0.0005271100000000, -0.0003797600000000 ] - [ 0.0002097000000000, -0.0001989200000000, 0.0005463300000000 ] - [ 0.0001555200000000, 0.0004106200000000, 0.0000153800000000 ] - [ 0.0005490500000000, 0.0000404900000000, 0.0000164000000000 ] - [ -0.0011194500000000, -0.0000029200000000, -0.0067236900000000 ] - [ -0.0000489300000000, -0.0001627000000000, -0.0003277100000000 ] - [ -0.0059773300000000, 0.0291893300000000, -0.4719966200000000 ] - [ 0.0000867200000000, 0.0002528600000000, -0.0000525000000000 ] - [ -0.0000609200000000, 0.0000023600000000, 0.0000989200000000 ] - [ 0.0029767700000000, 0.0013975300000000, -0.0008422700000000 ] - [ 0.0000800000000000, 0.0000629500000000, -0.0000004500000000 ] - [ 0.0001658000000000, 0.0000234200000000, -0.0003256800000000 ] - [ -0.0000782500000000, -0.0001718900000000, 0.0000162500000000 ] - [ 0.0004582400000000, -0.0000511700000000, -0.0003370300000000 ] - [ -0.0004234000000000, -0.0007736100000000, 0.0001078000000000 ] - [ -0.0033571800000000, -0.0015130200000000, -0.0002100500000000 ] - [ -0.0000900800000000, -0.0002939200000000, -0.0000803400000000 ] - [ -0.0007896000000000, 0.0032162100000000, 0.0005220300000000 ] - [ -0.0000587700000000, 0.0012361600000000, 0.0002760900000000 ] - [ -0.0000525200000000, -0.0003476900000000, -0.0000442300000000 ] - [ -0.0003338100000000, -0.0001516400000000, 0.0002695100000000 ] - [ 0.0003933000000000, -0.0036830100000000, 0.0002592800000000 ] - [ 0.0007091200000000, -0.0007649500000000, 0.0002538000000000 ] - [ -0.0008257400000000, 0.0007486500000000, -0.0004307500000000 ] - [ -0.0006815500000000, 0.0000117300000000, 0.0000239500000000 ] - [ -0.0003910300000000, -0.0001708200000000, 0.0000138400000000 ] - [ 0.0003455800000000, 0.0001305400000000, 0.0000333100000000 ] - [ 0.0002493400000000, 0.0001596500000000, -0.0001935700000000 ] - [ 0.0001398300000000, -0.0003383900000000, 0.0001498900000000 ] - [ 0.0003934400000000, -0.0000267100000000, 0.0000898400000000 ] - [ -0.0001368300000000, -0.0004583300000000, -0.0000934900000000 ] - [ 0.0002893000000000, 0.0041989900000000, 0.0003717000000000 ] - [ -0.0033633600000000, 0.0010555000000000, -0.0004082200000000 ] - [ 0.0004964700000000, -0.0009652700000000, 0.0000804500000000 ] - [ -0.0002906400000000, -0.0002882700000000, 0.0000223800000000 ] - [ 0.0087545600000000, 0.0166182700000000, 0.0114050000000000 ] - [ 0.0014829900000000, 0.0001589800000000, 0.0081594600000000 ] - [ 0.0000996800000000, -0.0000608200000000, -0.0001061300000000 ] - [ -0.0049006700000000, -0.0215039000000000, 0.0119085400000000 ] - [ 0.0001603600000000, 0.0008830500000000, -0.0000571000000000 ] - [ 0.0004292100000000, 0.0006293300000000, -0.0003889800000000 ] - [ -0.0000249300000000, -0.0000813700000000, 0.0007090300000000 ] - [ -0.0022267000000000, -0.0021437500000000, -0.0001561100000000 ] - [ -0.0000821000000000, -0.0010255500000000, 0.0000034300000000 ] - [ 0.0026543500000000, -0.0028426600000000, -0.0007505000000000 ] - [ -0.0150394000000000, 0.0061417300000000, 0.0106066800000000 ] - [ 0.0004811300000000, 0.0001883200000000, 0.0000617700000000 ] - [ 0.0001793800000000, -0.0001125300000000, -0.0013927000000000 ] - [ 0.0001970100000000, 0.0000329700000000, 0.0000263500000000 ] - [ -0.0000355900000000, 0.0000777400000000, 0.0012862600000000 ] - [ 0.0003185400000000, 0.0003653300000000, -0.0001134500000000 ] - [ -0.0000207400000000, 0.0005979600000000, 0.0001328700000000 ] - [ 0.0001475300000000, -0.0001802700000000, 0.0009877200000000 ] - [ -0.0000829000000000, -0.0001459900000000, -0.0013907700000000 ] - [ -0.0000118500000000, -0.0000630400000000, 0.0000456200000000 ] - [ -0.0009599700000000, 0.0003026100000000, 0.0081285800000000 ] - [ 0.0220877000000000, -0.0036784800000000, 0.0207587200000000 ] - [ -0.0001390000000000, 0.0001249900000000, 0.0000243700000000 ] - [ -0.0024082500000000, 0.0016470900000000, -0.0006283500000000 ] - [ -0.0001694100000000, -0.0000006800000000, 0.0001044600000000 ] - [ -0.0006916800000000, -0.0001473700000000, -0.0002083700000000 ] - [ -0.0000076800000000, -0.0001700200000000, 0.0001304700000000 ] - [ 0.0003906500000000, -0.0003294400000000, 0.0001019100000000 ] - [ 0.0000325400000000, 0.0003347300000000, 0.0003452900000000 ] - [ -0.0000580900000000, -0.0001001000000000, -0.0001832000000000 ] - [ -0.0003473200000000, 0.0000115600000000, 0.0000728300000000 ] - [ 0.0001556200000000, 0.0000005600000000, -0.0002626700000000 ] - [ -0.0002078700000000, 0.0002976600000000, -0.0000068200000000 ] - [ 0.0000711000000000, -0.0004083000000000, -0.0002183900000000 ] - [ 0.0002929400000000, 0.0002953000000000, -0.0000258600000000 ] - [ 0.0000356900000000, -0.0001047600000000, -0.0001621100000000 ] - [ -0.0004578400000000, 0.0000398000000000, -0.0002294400000000 ] - [ 0.0000125700000000, 0.0002750300000000, -0.0000265300000000 ] - [ 0.0000111800000000, -0.0001210200000000, 0.0000337400000000 ] - [ 0.0020603500000000, 0.0019323400000000, 0.0008038300000000 ] - [ -0.0002306500000000, 0.0002164100000000, -0.0000886100000000 ] - [ 0.0005597700000000, -0.0000854200000000, 0.0000120300000000 ] - [ -0.0000475800000000, -0.0001123200000000, -0.0001080100000000 ] - [ -0.0001899900000000, -0.0004245200000000, 0.0001501400000000 ] - [ -0.0002452100000000, 0.0004322500000000, 0.0000309900000000 ] - [ -0.0000215100000000, 0.0000288300000000, 0.0006621300000000 ] - [ -0.0000286300000000, -0.0009398500000000, -0.0003712200000000 ] - [ -0.0163919900000000, 0.0084221100000000, 0.0299700100000000 ] - [ 0.0000516500000000, 0.0004264600000000, 0.0001118000000000 ] - [ -0.0003925700000000, -0.0001389100000000, 0.0001708300000000 ]- atom: 90 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000488500000000, -0.0000717400000000, -0.0005255900000000 ] - [ -0.0000024600000000, 0.0000170500000000, 0.0001734800000000 ] - [ 0.0000627800000000, 0.0000808600000000, 0.0001310000000000 ] - [ -0.0000746400000000, -0.0000871600000000, 0.0003122800000000 ] - [ -0.0005453500000000, 0.0004349300000000, 0.0037746200000000 ] - [ 0.0001368200000000, -0.0000861700000000, 0.0008586600000000 ] - [ 0.0000176200000000, -0.0000107400000000, 0.0001608300000000 ] - [ 0.0000982400000000, -0.0000783000000000, 0.0004586100000000 ] - [ 0.0004151300000000, 0.0000093700000000, -0.0040195500000000 ] - [ -0.0002698700000000, -0.0003499400000000, -0.0033122300000000 ] - [ 0.0001695200000000, 0.0000585500000000, -0.0001020200000000 ] - [ -0.0002721300000000, -0.0003588700000000, 0.0029581300000000 ] - [ -0.0000127200000000, 0.0000108000000000, -0.0000486800000000 ] - [ 0.0002030100000000, -0.0002320800000000, 0.0027953900000000 ] - [ -0.0001693400000000, -0.0000156400000000, -0.0001786900000000 ] - [ -0.0000115600000000, 0.0000683500000000, 0.0003053000000000 ] - [ 0.0000033900000000, -0.0000385900000000, 0.0000123400000000 ] - [ 0.0002553900000000, 0.0001929100000000, -0.0022468700000000 ] - [ -0.0000376300000000, 0.0002400300000000, 0.0003474200000000 ] - [ -0.0000028300000000, 0.0000259900000000, 0.0002062500000000 ] - [ 0.0001748300000000, -0.0000831700000000, 0.0001528100000000 ] - [ 0.0000251200000000, -0.0000227000000000, -0.0000657100000000 ] - [ -0.0000331300000000, -0.0002047600000000, -0.0003092300000000 ] - [ -0.0001638900000000, 0.0000563000000000, -0.0001304800000000 ] - [ -0.0005962600000000, -0.0008447000000000, 0.0000193400000000 ] - [ 0.0013239800000000, 0.0004579200000000, -0.0009369700000000 ] - [ -0.0003664700000000, -0.0017125400000000, -0.0010662800000000 ] - [ -0.0052534700000000, -0.0061535400000000, 0.0057080700000000 ] - [ 0.0117567800000000, -0.0028943600000000, -0.0070944500000000 ] - [ -0.0001015000000000, -0.0003577000000000, 0.0002216000000000 ] - [ -0.0009108500000000, -0.0003192700000000, -0.0001638000000000 ] - [ -0.0002881900000000, 0.0010345300000000, 0.0011435300000000 ] - [ 0.0000159300000000, -0.0000219800000000, 0.0005242500000000 ] - [ -0.0057818800000000, 0.0141124600000000, 0.0036538700000000 ] - [ 0.0002055300000000, 0.0008166400000000, -0.0001533500000000 ] - [ -0.0002277900000000, 0.0001838000000000, 0.0001591500000000 ] - [ -0.0009451100000000, -0.0017210000000000, 0.0014610500000000 ] - [ -0.0007758700000000, 0.0003538600000000, 0.0001174000000000 ] - [ -0.0001024400000000, 0.0002037600000000, 0.0002231100000000 ] - [ 0.0003754900000000, -0.0002285900000000, 0.0002263800000000 ] - [ 0.0002928100000000, -0.0001564200000000, 0.0002544800000000 ] - [ -0.0011072700000000, 0.0012043900000000, -0.0010298200000000 ] - [ -0.0001286900000000, -0.0001393700000000, 0.0002565000000000 ] - [ 0.0011090600000000, 0.0002610300000000, 0.0001782100000000 ] - [ 0.0024907100000000, -0.0003360000000000, -0.0007221300000000 ] - [ 0.0000613600000000, 0.0006033200000000, -0.0003299500000000 ] - [ 0.0000302000000000, -0.0364321200000000, -0.1430472300000000 ] - [ 0.0005682100000000, -0.0004380400000000, -0.0003739500000000 ] - [ 0.0008594700000000, 0.0016499100000000, 0.0009305400000000 ] - [ -0.0006505800000000, -0.0005314300000000, -0.0011864100000000 ] - [ -0.0000794700000000, 0.0003063300000000, -0.0007366100000000 ] - [ 0.0005280300000000, -0.0002558300000000, 0.0005972500000000 ] - [ 0.0003135400000000, -0.0000877000000000, 0.0003395200000000 ] - [ -0.0000310700000000, -0.0004327900000000, 0.0000860900000000 ] - [ -0.0044419600000000, 0.0506939200000000, -0.2153107500000000 ] - [ 0.0004438800000000, -0.0001409900000000, -0.0007719900000000 ] - [ 0.0001960000000000, 0.0002103300000000, -0.0008466600000000 ] - [ -0.0004267100000000, -0.0000526500000000, 0.0006304700000000 ] - [ -0.0006272300000000, -0.0002240900000000, 0.0004887500000000 ] - [ -0.0022012900000000, -0.0008982700000000, -0.0006940600000000 ] - [ 0.0003323400000000, -0.0012803500000000, 0.0004786400000000 ] - [ -0.0002788200000000, -0.0001821800000000, -0.0007595800000000 ] - [ -0.0121535000000000, -0.0019297800000000, -0.0060061200000000 ] - [ 0.0009101500000000, -0.0016744000000000, -0.0019775100000000 ] - [ 0.0005199200000000, -0.0001464400000000, -0.0000667600000000 ] - [ 0.0003740000000000, 0.0022210100000000, -0.0010083900000000 ] - [ 0.0109753600000000, -0.0109899600000000, 0.0040778500000000 ] - [ 0.0003933200000000, 0.0004605800000000, 0.0005768900000000 ] - [ 0.0003389100000000, 0.0003428400000000, -0.0004061500000000 ] - [ 0.0006199000000000, 0.0095525700000000, 0.0064253800000000 ] - [ -0.0010657700000000, -0.0001921600000000, 0.0005837600000000 ] - [ 0.0003665800000000, 0.0002179200000000, 0.0000641600000000 ] - [ 0.0004717200000000, 0.0000277000000000, 0.0013294000000000 ] - [ 0.0005893300000000, 0.0029199800000000, -0.0004443000000000 ] - [ 0.0001120400000000, -0.0000545800000000, 0.0002366200000000 ] - [ -0.0004292400000000, 0.0007782200000000, -0.0000464700000000 ] - [ 0.0000759100000000, -0.0000184100000000, -0.0000107000000000 ] - [ 0.0001357200000000, 0.0000787600000000, -0.0015686300000000 ] - [ -0.0077044400000000, 0.0128597600000000, -0.0222252100000000 ] - [ -0.0047672100000000, 0.0015169900000000, -0.0000787700000000 ] - [ -0.0003045800000000, 0.0001488000000000, -0.0000037600000000 ] - [ -0.0003014500000000, 0.0001915600000000, 0.0001860700000000 ] - [ -0.0002623800000000, -0.0003990100000000, -0.0000343700000000 ] - [ -0.0006554400000000, 0.0003707700000000, -0.0003289100000000 ] - [ 0.0003598900000000, -0.0001799500000000, -0.0003731300000000 ] - [ -0.0001777300000000, 0.0004971200000000, 0.0000556100000000 ] - [ 0.0005466200000000, 0.0000068000000000, -0.0000112300000000 ] - [ 0.0009222400000000, 0.0003161000000000, 0.0066154300000000 ] - [ -0.0001381000000000, -0.0001179400000000, 0.0002115300000000 ] - [ 0.0057664800000000, -0.0208822600000000, 0.4658551900000000 ] - [ -0.0000313800000000, -0.0000424200000000, 0.0000105900000000 ] - [ 0.0002823200000000, -0.0005037100000000, 0.0000000800000000 ] - [ -0.0024240200000000, -0.0012071400000000, 0.0007051700000000 ] - [ 0.0001348900000000, -0.0000092700000000, -0.0000432800000000 ] - [ -0.0000162500000000, -0.0000003600000000, 0.0019377600000000 ] - [ 0.0000226400000000, -0.0000406600000000, -0.0000571600000000 ] - [ -0.0008396200000000, 0.0003454500000000, 0.0000063100000000 ] - [ 0.0008599600000000, 0.0003896000000000, -0.0002253800000000 ] - [ 0.0018885000000000, 0.0007601000000000, -0.0005005900000000 ] - [ -0.0000219700000000, -0.0002688400000000, -0.0000526900000000 ] - [ 0.0006751900000000, -0.0024985400000000, -0.0005534900000000 ] - [ 0.0002660900000000, -0.0003583000000000, -0.0000170700000000 ] - [ 0.0000095500000000, -0.0003344200000000, 0.0002151000000000 ] - [ -0.0002785000000000, -0.0001506900000000, -0.0000944900000000 ] - [ -0.0009615900000000, 0.0032120000000000, -0.0002830800000000 ] - [ -0.0000513000000000, 0.0001522500000000, 0.0000007100000000 ] - [ 0.0009084300000000, 0.0008995600000000, -0.0002810000000000 ] - [ 0.0003656600000000, -0.0004659000000000, 0.0000716500000000 ] - [ -0.0003982000000000, -0.0002838200000000, 0.0000612900000000 ] - [ -0.0008007000000000, -0.0003230300000000, -0.0003677800000000 ] - [ 0.0002043400000000, 0.0000314000000000, -0.0001424100000000 ] - [ 0.0001761800000000, 0.0007939500000000, -0.0000538300000000 ] - [ -0.0003696500000000, -0.0008821000000000, -0.0000240200000000 ] - [ 0.0006883300000000, 0.0004080700000000, 0.0001898800000000 ] - [ -0.0009470800000000, -0.0037607000000000, -0.0001400500000000 ] - [ 0.0026519400000000, -0.0014095300000000, 0.0006717400000000 ] - [ -0.0007045100000000, 0.0000913700000000, 0.0001794300000000 ] - [ 0.0001321400000000, 0.0004421300000000, -0.0000621900000000 ] - [ -0.0082704800000000, -0.0157011200000000, -0.0113871100000000 ] - [ -0.0014046700000000, -0.0002551200000000, -0.0065392800000000 ] - [ 0.0002452600000000, -0.0000070700000000, -0.0001585100000000 ] - [ 0.0048337800000000, 0.0212795000000000, -0.0119300200000000 ] - [ -0.0002514200000000, -0.0005836100000000, -0.0002292300000000 ] - [ 0.0010395600000000, 0.0001226400000000, -0.0003171300000000 ] - [ -0.0000333300000000, -0.0000626600000000, 0.0009025300000000 ] - [ 0.0030214600000000, 0.0016979200000000, 0.0002382400000000 ] - [ -0.0004463700000000, 0.0000378400000000, 0.0000041600000000 ] - [ -0.0025281600000000, 0.0021118400000000, 0.0007088000000000 ] - [ 0.0144702900000000, -0.0056096800000000, -0.0103993100000000 ] - [ 0.0003075100000000, 0.0002671200000000, 0.0000127400000000 ] - [ 0.0001095900000000, -0.0001486000000000, 0.0009561100000000 ] - [ 0.0001728100000000, 0.0000828400000000, -0.0004593200000000 ] - [ 0.0000924200000000, 0.0000642100000000, 0.0003248900000000 ] - [ -0.0005362300000000, -0.0004183200000000, 0.0000684200000000 ] - [ 0.0000917200000000, -0.0004854200000000, -0.0001151400000000 ] - [ 0.0000064600000000, -0.0001230600000000, -0.0011066000000000 ] - [ -0.0002859800000000, 0.0000272000000000, 0.0009572800000000 ] - [ 0.0000856100000000, -0.0000655100000000, -0.0000279800000000 ] - [ 0.0008112900000000, -0.0003238500000000, -0.0065215900000000 ] - [ -0.0220229800000000, 0.0041108200000000, -0.0204115600000000 ] - [ -0.0001480400000000, 0.0001382700000000, -0.0004608300000000 ] - [ 0.0025378700000000, -0.0016478900000000, 0.0006314800000000 ] - [ -0.0001697000000000, 0.0000176100000000, -0.0002245200000000 ] - [ 0.0003459400000000, 0.0002155000000000, -0.0000543700000000 ] - [ -0.0000801900000000, -0.0002064500000000, -0.0005662800000000 ] - [ 0.0002754300000000, -0.0001025400000000, 0.0001506500000000 ] - [ 0.0000109600000000, 0.0003481100000000, -0.0001733600000000 ] - [ 0.0002738900000000, 0.0003518600000000, -0.0000848100000000 ] - [ -0.0002030200000000, 0.0000386100000000, 0.0000238200000000 ] - [ 0.0001837900000000, -0.0000175800000000, 0.0001432600000000 ] - [ -0.0003337400000000, -0.0004805700000000, -0.0001210000000000 ] - [ -0.0001365800000000, -0.0000776800000000, -0.0001171000000000 ] - [ 0.0002758600000000, 0.0001944400000000, -0.0000155400000000 ] - [ 0.0000565700000000, -0.0001908300000000, -0.0001196300000000 ] - [ 0.0003866200000000, 0.0000881500000000, 0.0002453900000000 ] - [ 0.0000992000000000, 0.0002884100000000, -0.0001066700000000 ] - [ -0.0001464200000000, 0.0001268500000000, -0.0000162600000000 ] - [ -0.0016829600000000, -0.0022325500000000, -0.0011349900000000 ] - [ -0.0002044200000000, 0.0001667700000000, -0.0000377800000000 ] - [ 0.0001546200000000, -0.0001671700000000, -0.0000555600000000 ] - [ -0.0001687300000000, -0.0001388600000000, -0.0001612700000000 ] - [ 0.0001638600000000, -0.0003753300000000, 0.0001032800000000 ] - [ -0.0003790700000000, 0.0005440000000000, -0.0000041200000000 ] - [ -0.0000803900000000, 0.0000982100000000, 0.0009574500000000 ] - [ -0.0000581100000000, -0.0007094700000000, -0.0003355300000000 ] - [ 0.0174764100000000, -0.0092501000000000, -0.0302257800000000 ] - [ -0.0000247700000000, 0.0003724300000000, 0.0001423200000000 ] - [ -0.0004681700000000, -0.0001247500000000, 0.0000864400000000 ]- atom: 92 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0003180100000000, 0.0009181200000000, -0.0000112400000000 ] - [ -0.0003791100000000, -0.0009517300000000, -0.0001779600000000 ] - [ 0.0001599200000000, -0.0000269100000000, 0.0002332300000000 ] - [ -0.0010821000000000, -0.0000716600000000, 0.0002443100000000 ] - [ -0.0000757300000000, -0.0001284100000000, 0.0000372200000000 ] - [ -0.0000795600000000, -0.0008885500000000, 0.0004147000000000 ] - [ -0.0023682100000000, -0.0004738300000000, 0.0014516100000000 ] - [ -0.0001421100000000, 0.0009747900000000, 0.0003291800000000 ] - [ -0.0002315900000000, 0.0006946000000000, 0.0002123700000000 ] - [ 0.0000029700000000, -0.0000240300000000, 0.0002273300000000 ] - [ 0.0045926400000000, -0.0001702800000000, 0.0005250100000000 ] - [ -0.0003078500000000, 0.0008130600000000, -0.0001190400000000 ] - [ -0.0003105300000000, -0.0008430800000000, 0.0003084600000000 ] - [ 0.0030796200000000, -0.0003377500000000, 0.0004407600000000 ] - [ -0.0020494500000000, 0.0005323900000000, 0.0018206700000000 ] - [ 0.0038469900000000, 0.0006191400000000, 0.0002971200000000 ] - [ -0.0007613400000000, -0.0001235900000000, 0.0000969200000000 ] - [ 0.0035600500000000, 0.0012629200000000, 0.0010577000000000 ] - [ -0.0016717200000000, 0.0004866600000000, -0.0008380700000000 ] - [ -0.0008543800000000, -0.0000202200000000, 0.0001102300000000 ] - [ 0.0003682800000000, -0.0000825100000000, 0.0000486700000000 ] - [ -0.0018098900000000, -0.0006383700000000, -0.0015245900000000 ] - [ -0.0001962100000000, -0.0009372700000000, -0.0000846300000000 ] - [ -0.0010936000000000, 0.0001515700000000, -0.0000112400000000 ] - [ -0.0007551500000000, 0.0001465500000000, -0.0001878700000000 ] - [ -0.0027657000000000, 0.0012394400000000, 0.0006238000000000 ] - [ 0.0003219100000000, -0.0016524600000000, -0.0000761300000000 ] - [ 0.0003209100000000, 0.0026976500000000, -0.0014970800000000 ] - [ 0.0010210400000000, -0.0013936500000000, 0.0002826100000000 ] - [ -0.0013908600000000, -0.0015378900000000, -0.0000342200000000 ] - [ -0.0044902300000000, -0.0008097700000000, 0.0007183900000000 ] - [ 0.1205720000000000, -0.0288776800000000, 0.0349592600000000 ] - [ -0.0010670300000000, -0.0010142200000000, 0.0004337000000000 ] - [ -0.0006821300000000, 0.0013763500000000, -0.0002527000000000 ] - [ 0.0022143700000000, -0.0025666100000000, -0.0000727700000000 ] - [ -0.0021082100000000, 0.0008203400000000, 0.0004669000000000 ] - [ -0.0010465700000000, 0.0012653200000000, 0.0004595600000000 ] - [ -0.0014304500000000, -0.0013326800000000, -0.0021457700000000 ] - [ 0.0020459800000000, 0.0011593000000000, 0.0002443400000000 ] - [ -0.0013687300000000, -0.0010113700000000, 0.0003493500000000 ] - [ 0.0058398500000000, -0.0027252800000000, 0.0082025800000000 ] - [ -0.0049572600000000, -0.0080027000000000, -0.0057583900000000 ] - [ -0.0021467000000000, 0.0001640500000000, 0.0005371400000000 ] - [ 0.0007105100000000, -0.0007337600000000, -0.0001026700000000 ] - [ 0.0000709600000000, 0.0011935000000000, -0.0000825900000000 ] - [ -0.0027649200000000, 0.0002958700000000, -0.0003519900000000 ] - [ 0.0021720800000000, 0.0018628900000000, 0.0000288100000000 ] - [ -0.0024140200000000, 0.0141890700000000, -0.0025356800000000 ] - [ -0.0011468400000000, 0.0004669400000000, -0.0004668000000000 ] - [ -0.0008595200000000, 0.0010161800000000, 0.0007780100000000 ] - [ -0.0026600300000000, 0.0002364100000000, -0.0008283400000000 ] - [ 0.2031244400000000, 0.0342338800000000, -0.0688530600000000 ] - [ -0.0018411600000000, -0.0156020400000000, -0.0032580200000000 ] - [ 0.0018789800000000, -0.0018652700000000, 0.0005751600000000 ] - [ 0.0005303000000000, 0.0022969200000000, 0.0006269500000000 ] - [ 0.0007498100000000, 0.0021037400000000, -0.0027611200000000 ] - [ 0.0025562800000000, 0.0040487500000000, -0.0013789600000000 ] - [ -0.0011832200000000, -0.0007616000000000, -0.0000550500000000 ] - [ -0.0006447600000000, -0.0017504800000000, 0.0001705600000000 ] - [ -0.0002697200000000, 0.0001761300000000, 0.0002759800000000 ] - [ 0.0056598300000000, 0.0007258800000000, -0.0091360800000000 ] - [ -0.0034180500000000, -0.0000479100000000, -0.0003956300000000 ] - [ 0.0034688300000000, -0.0025370200000000, -0.0010256700000000 ] - [ 0.0000241500000000, -0.0032994800000000, -0.0017444400000000 ] - [ -0.0011736400000000, 0.0005814700000000, -0.0008426500000000 ] - [ -0.0006457400000000, -0.0008153700000000, 0.0001964200000000 ] - [ -0.0005477400000000, 0.0013973400000000, -0.0006389000000000 ] - [ -0.0039234700000000, 0.0015301300000000, 0.0007131300000000 ] - [ -0.0003467000000000, -0.0006483200000000, -0.0005014000000000 ] - [ -0.0046317300000000, 0.0084149600000000, -0.0043891700000000 ] - [ -0.0041055500000000, -0.0020013500000000, 0.0011872500000000 ] - [ -0.0019325100000000, -0.0007561400000000, 0.0006743000000000 ] - [ 0.0004592000000000, 0.0006264800000000, 0.0000909100000000 ] - [ 0.0002293000000000, -0.0014978200000000, 0.0017402000000000 ] - [ 0.0018638300000000, 0.0002655700000000, 0.0000952000000000 ] - [ -0.0013295600000000, 0.0013145300000000, 0.0012363400000000 ] - [ -0.0006642700000000, 0.0016127800000000, 0.0005294900000000 ] - [ 0.0006009300000000, -0.0003222200000000, -0.0001426900000000 ] - [ -0.0000306200000000, -0.0007646800000000, -0.0000090500000000 ] - [ -0.0004192700000000, -0.0006866000000000, 0.0000295300000000 ] - [ 0.0016014600000000, 0.0001270100000000, 0.0000939200000000 ] - [ -0.0010319300000000, 0.0010905900000000, -0.0002689800000000 ] - [ 0.0014150300000000, -0.0015985500000000, 0.0002106700000000 ] - [ 0.0303439400000000, -0.0097008100000000, 0.0000797300000000 ] - [ 0.0009110600000000, 0.0001231200000000, 0.0001826300000000 ] - [ -0.0023723500000000, 0.0003367900000000, 0.0000916000000000 ] - [ 0.0015210100000000, -0.0006746000000000, 0.0000739800000000 ] - [ -0.0008840300000000, 0.0009159100000000, 0.0003053400000000 ] - [ -0.0011551300000000, -0.0009807600000000, 0.0005057800000000 ] - [ -0.0005201100000000, -0.0004963900000000, -0.0003852800000000 ] - [ 0.0010095400000000, 0.0011352800000000, -0.0003154900000000 ] - [ -0.4063629900000000, -0.0087007400000000, 0.0451194800000000 ] - [ 0.0002969700000000, 0.0010231000000000, -0.0001607200000000 ] - [ 0.0037048500000000, 0.0034588500000000, -0.0001776600000000 ] - [ -0.0001774200000000, 0.0019527200000000, 0.0033165600000000 ] - [ 0.0000599800000000, 0.0015670800000000, 0.0001805100000000 ] - [ 0.0007073500000000, 0.0011137300000000, 0.0001640000000000 ] - [ 0.0012044800000000, -0.0001141800000000, -0.0000816500000000 ] - [ 0.0001954600000000, -0.0010075100000000, -0.0000328900000000 ] - [ 0.0012716400000000, -0.0005281000000000, -0.0002707500000000 ] - [ 0.0099828000000000, -0.0154953600000000, 0.0023254600000000 ] - [ 0.0010690700000000, -0.0006030100000000, 0.0001236000000000 ] - [ 0.0012839500000000, 0.0001466400000000, -0.0006727200000000 ] - [ -0.0004560600000000, 0.0027948100000000, 0.0032390400000000 ] - [ -0.0001294800000000, -0.0011463400000000, -0.0001661100000000 ] - [ -0.0064339100000000, -0.0000686000000000, 0.0000425900000000 ] - [ 0.0001462400000000, 0.0001499000000000, -0.0001993800000000 ] - [ -0.0003440200000000, -0.0008872900000000, 0.0000499000000000 ] - [ 0.0016934900000000, -0.0007757700000000, -0.0001897200000000 ] - [ -0.0001288400000000, -0.0007319900000000, -0.0002425700000000 ] - [ 0.0013752000000000, 0.0002403900000000, -0.0002802200000000 ] - [ 0.0018448800000000, -0.0009817500000000, 0.0002774600000000 ] - [ 0.0010344900000000, -0.0004824600000000, 0.0000108700000000 ] - [ 0.0014024400000000, -0.0001211100000000, 0.0001497900000000 ] - [ -0.0001999900000000, -0.0003768000000000, 0.0001085600000000 ] - [ -0.0012479500000000, 0.0039115200000000, 0.0006603000000000 ] - [ -0.0002372900000000, -0.0019697200000000, 0.0002912700000000 ] - [ 0.0002641600000000, 0.0008195200000000, -0.0001057200000000 ] - [ 0.0000983400000000, -0.0036470600000000, -0.0005920800000000 ] - [ 0.0001761300000000, -0.0006582000000000, 0.0008290700000000 ] - [ 0.0015764600000000, 0.0005396400000000, 0.0004975700000000 ] - [ -0.0009280100000000, -0.0016632300000000, 0.0003350300000000 ] - [ 0.0001101900000000, 0.0006611900000000, -0.0000423200000000 ] - [ 0.0042014500000000, 0.0022258000000000, -0.0003643300000000 ] - [ 0.0011988400000000, 0.0000633300000000, 0.0009973000000000 ] - [ 0.0001467100000000, 0.0008895300000000, 0.0000312400000000 ] - [ -0.0003502000000000, 0.0015951700000000, -0.0016760300000000 ] - [ -0.0011145600000000, 0.0013632600000000, 0.0002994200000000 ] - [ -0.0025156400000000, 0.0003221800000000, 0.0002090300000000 ] - [ 0.0004810000000000, 0.0008891700000000, 0.0001108600000000 ] - [ 0.0011662500000000, -0.0007329200000000, -0.0006957800000000 ] - [ 0.0014942900000000, -0.0002816700000000, -0.0007965600000000 ] - [ 0.0005165600000000, -0.0002192800000000, 0.0008313900000000 ] - [ 0.0001302800000000, 0.0005628300000000, -0.0000123100000000 ] - [ 0.0125708200000000, 0.0203539000000000, -0.0042922100000000 ] - [ 0.0023909800000000, -0.0029583000000000, 0.0167776900000000 ] - [ -0.0001449000000000, -0.0005172500000000, -0.0001648800000000 ] - [ 0.0015965500000000, -0.0000173300000000, -0.0000201100000000 ] - [ 0.0000669800000000, -0.0022864400000000, 0.0032556500000000 ] - [ -0.0012403500000000, 0.0001879700000000, -0.0000542900000000 ] - [ 0.0008232700000000, 0.0008917500000000, -0.0006842400000000 ] - [ 0.0000674400000000, -0.0005757600000000, 0.0000666500000000 ] - [ 0.0002233500000000, 0.0004436300000000, -0.0001131600000000 ] - [ 0.0000968500000000, 0.0007169000000000, -0.0002328500000000 ] - [ 0.0041828300000000, 0.0008596100000000, -0.0223029600000000 ] - [ -0.0018168400000000, -0.0052226100000000, 0.0001702300000000 ] - [ 0.0001518800000000, 0.0009929300000000, 0.0001861900000000 ] - [ 0.0015207200000000, 0.0010573700000000, 0.0000365600000000 ] - [ 0.0009453500000000, 0.0015014100000000, 0.0000967600000000 ] - [ 0.0013198400000000, -0.0001010900000000, -0.0002390300000000 ] - [ 0.0195063900000000, 0.0103477300000000, 0.0024720500000000 ] - [ -0.0013472700000000, -0.0014225700000000, -0.0011729900000000 ] - [ -0.0008063200000000, -0.0015953800000000, 0.0004147100000000 ] - [ -0.0014879900000000, 0.0051165300000000, -0.0011542700000000 ] - [ 0.0010011800000000, -0.0007418200000000, -0.0002289400000000 ] - [ -0.0000025700000000, 0.0010754200000000, -0.0000971900000000 ] - [ 0.0036203700000000, -0.0026967100000000, -0.0008675400000000 ] - [ 0.0035894100000000, -0.0017202400000000, 0.0000232500000000 ] - [ -0.0019332300000000, 0.0002931100000000, -0.0002263600000000 ] - [ 0.0012814600000000, -0.0001041800000000, -0.0000566400000000 ] - [ -0.0002906100000000, 0.0006669100000000, -0.0003280000000000 ] - [ 0.0006266100000000, -0.0003432200000000, 0.0000795700000000 ] - [ 0.0010246700000000, 0.0005522500000000, -0.0003145700000000 ] - [ 0.0005533000000000, -0.0024316400000000, 0.0036712800000000 ] - [ 0.0021593700000000, -0.0006898400000000, -0.0002931200000000 ] - [ 0.0006881800000000, -0.0013230900000000, -0.0004417400000000 ] - [ 0.0024259300000000, 0.0004082700000000, 0.0001938600000000 ] - [ 0.0004377600000000, 0.0007277800000000, 0.0000362100000000 ]- atom: 92 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0002652800000000, -0.0008837400000000, 0.0002359900000000 ] - [ 0.0003770600000000, 0.0009523500000000, 0.0002984800000000 ] - [ -0.0000431900000000, 0.0001786300000000, 0.0002259200000000 ] - [ 0.0009651000000000, -0.0000803100000000, 0.0002143500000000 ] - [ -0.0002223000000000, -0.0000674200000000, -0.0000025400000000 ] - [ 0.0002720900000000, 0.0008655300000000, 0.0000448400000000 ] - [ 0.0023693400000000, 0.0004700800000000, -0.0013300200000000 ] - [ 0.0001975200000000, -0.0010055300000000, -0.0001019100000000 ] - [ 0.0002307400000000, -0.0006957900000000, -0.0001007800000000 ] - [ 0.0000726500000000, -0.0001496500000000, 0.0002317600000000 ] - [ -0.0042947900000000, 0.0003863700000000, -0.0005110700000000 ] - [ 0.0003090900000000, -0.0008116500000000, 0.0001767300000000 ] - [ 0.0003101200000000, 0.0008446400000000, -0.0001892400000000 ] - [ -0.0031323500000000, 0.0003165700000000, -0.0002176100000000 ] - [ 0.0018641200000000, -0.0005142400000000, -0.0013716600000000 ] - [ -0.0039204800000000, -0.0004626100000000, 0.0001504500000000 ] - [ 0.0007598800000000, 0.0000615300000000, 0.0001277500000000 ] - [ -0.0035150400000000, -0.0012166700000000, -0.0008239900000000 ] - [ 0.0016455700000000, -0.0001309700000000, 0.0008778500000000 ] - [ 0.0008553800000000, 0.0000807700000000, 0.0001150700000000 ] - [ -0.0000450900000000, -0.0000787600000000, -0.0000128100000000 ] - [ 0.0018057900000000, 0.0006314700000000, 0.0015739200000000 ] - [ 0.0002208400000000, 0.0005789800000000, 0.0001190100000000 ] - [ 0.0007703900000000, 0.0000090700000000, 0.0000465900000000 ] - [ 0.0006059000000000, -0.0014293700000000, -0.0003127000000000 ] - [ 0.0024925100000000, -0.0008951800000000, -0.0006715800000000 ] - [ 0.0009716200000000, 0.0005412000000000, -0.0000336600000000 ] - [ 0.0008522400000000, -0.0021674800000000, 0.0010007600000000 ] - [ -0.0010396600000000, 0.0014371500000000, 0.0005206000000000 ] - [ 0.0010634500000000, -0.0001243700000000, -0.0000739500000000 ] - [ 0.0028874900000000, 0.0002580000000000, -0.0008254300000000 ] - [ -0.1278144200000000, 0.0313979900000000, -0.0372184200000000 ] - [ 0.0010200000000000, 0.0010186100000000, 0.0003710700000000 ] - [ -0.0003629700000000, -0.0006048900000000, -0.0002450600000000 ] - [ -0.0018914900000000, 0.0042268500000000, -0.0000374400000000 ] - [ 0.0016843800000000, -0.0008916000000000, -0.0005073500000000 ] - [ 0.0010601100000000, -0.0012183300000000, 0.0003408900000000 ] - [ 0.0001266500000000, 0.0024394700000000, 0.0020427100000000 ] - [ -0.0020528100000000, -0.0012053300000000, 0.0005552700000000 ] - [ 0.0016429800000000, 0.0006618500000000, -0.0003960100000000 ] - [ -0.0056655200000000, 0.0031505900000000, -0.0082704300000000 ] - [ 0.0037874200000000, 0.0074822200000000, 0.0052618500000000 ] - [ 0.0021919200000000, -0.0001710000000000, 0.0002664900000000 ] - [ 0.0008986300000000, 0.0012865600000000, -0.0000009100000000 ] - [ 0.0003567000000000, -0.0011211200000000, 0.0000390400000000 ] - [ 0.0029087100000000, 0.0009810600000000, -0.0001489400000000 ] - [ -0.0023394900000000, -0.0022761300000000, -0.0000687400000000 ] - [ 0.0034712100000000, -0.0148785800000000, 0.0020247300000000 ] - [ 0.0014113600000000, -0.0014983700000000, -0.0006680000000000 ] - [ 0.0025127800000000, -0.0006509200000000, -0.0001049600000000 ] - [ 0.0024533600000000, 0.0003922200000000, -0.0004485000000000 ] - [ -0.1907437300000000, -0.0325964500000000, 0.0638926800000000 ] - [ 0.0024992000000000, 0.0151323200000000, 0.0036393900000000 ] - [ -0.0020263400000000, 0.0010296400000000, -0.0002227900000000 ] - [ -0.0016881700000000, -0.0010487900000000, 0.0000436200000000 ] - [ -0.0000179700000000, -0.0022418100000000, 0.0014787100000000 ] - [ -0.0028149400000000, -0.0030186600000000, 0.0002408300000000 ] - [ 0.0013235300000000, 0.0015938000000000, 0.0004084400000000 ] - [ -0.0001255400000000, 0.0014420200000000, 0.0001803900000000 ] - [ -0.0002329700000000, -0.0017923000000000, 0.0003956300000000 ] - [ -0.0067184000000000, -0.0004393300000000, 0.0079650100000000 ] - [ 0.0026707400000000, -0.0007208800000000, -0.0007422000000000 ] - [ -0.0024133100000000, 0.0022541600000000, -0.0001136100000000 ] - [ -0.0004399900000000, 0.0027463100000000, 0.0004724100000000 ] - [ 0.0013779100000000, -0.0012123800000000, -0.0004324900000000 ] - [ -0.0000277900000000, 0.0013583500000000, 0.0001660300000000 ] - [ -0.0001618600000000, -0.0012642300000000, -0.0006272600000000 ] - [ 0.0044144600000000, 0.0000883100000000, -0.0000371200000000 ] - [ 0.0010936800000000, 0.0014114100000000, -0.0006348700000000 ] - [ 0.0050544700000000, -0.0078493500000000, 0.0031188200000000 ] - [ 0.0024507000000000, 0.0016307800000000, -0.0005129400000000 ] - [ 0.0026986300000000, 0.0010636900000000, -0.0003279800000000 ] - [ 0.0001538600000000, -0.0003229900000000, 0.0000837700000000 ] - [ 0.0004992900000000, 0.0018452800000000, -0.0014763000000000 ] - [ -0.0009995700000000, 0.0000017600000000, 0.0001617400000000 ] - [ 0.0005529400000000, -0.0008629200000000, -0.0011639900000000 ] - [ 0.0008267500000000, -0.0017645900000000, -0.0005746400000000 ] - [ -0.0004129800000000, 0.0006020000000000, 0.0000221900000000 ] - [ 0.0000968400000000, 0.0012503400000000, -0.0003279100000000 ] - [ -0.0006769700000000, 0.0006401800000000, -0.0000245400000000 ] - [ -0.0023142700000000, 0.0001271000000000, -0.0001366800000000 ] - [ 0.0004633600000000, -0.0007096000000000, 0.0004417800000000 ] - [ -0.0007901200000000, 0.0006227700000000, -0.0001843500000000 ] - [ -0.0311411300000000, 0.0104602600000000, -0.0007878300000000 ] - [ -0.0003392900000000, -0.0005026000000000, -0.0000118200000000 ] - [ 0.0023496100000000, 0.0005723700000000, -0.0000230500000000 ] - [ -0.0004325100000000, 0.0007233600000000, -0.0000666500000000 ] - [ 0.0007286000000000, -0.0006132500000000, -0.0004262000000000 ] - [ 0.0009644300000000, 0.0007015500000000, -0.0006251200000000 ] - [ 0.0006069900000000, 0.0008707000000000, -0.0000477200000000 ] - [ -0.0009526300000000, -0.0009267200000000, 0.0002735600000000 ] - [ 0.4022925900000000, 0.0025916600000000, -0.0360482200000000 ] - [ 0.0002452300000000, -0.0008397400000000, 0.0000320100000000 ] - [ -0.0034995400000000, -0.0034257800000000, 0.0001314200000000 ] - [ 0.0003217100000000, -0.0019324000000000, -0.0017004000000000 ] - [ -0.0001134500000000, -0.0017780800000000, -0.0002218200000000 ] - [ -0.0010945600000000, -0.0008186900000000, -0.0004951200000000 ] - [ -0.0007687000000000, -0.0002706200000000, -0.0000442400000000 ] - [ -0.0016613200000000, 0.0002553900000000, -0.0006727800000000 ] - [ -0.0013830700000000, -0.0000356900000000, 0.0001388400000000 ] - [ -0.0101127200000000, 0.0163102500000000, -0.0023683500000000 ] - [ -0.0008623300000000, 0.0014778600000000, 0.0001349200000000 ] - [ -0.0013264000000000, -0.0008309600000000, 0.0008472000000000 ] - [ -0.0001443200000000, -0.0031074200000000, -0.0030816900000000 ] - [ -0.0004399300000000, 0.0006555200000000, 0.0001260600000000 ] - [ 0.0070958000000000, -0.0005458000000000, 0.0002040700000000 ] - [ -0.0000597700000000, 0.0015002700000000, -0.0005075700000000 ] - [ 0.0000274300000000, 0.0004349200000000, 0.0000464600000000 ] - [ -0.0024848600000000, 0.0003219300000000, 0.0002630300000000 ] - [ -0.0003248700000000, 0.0005418400000000, -0.0000940300000000 ] - [ -0.0009208100000000, -0.0000496600000000, -0.0000562400000000 ] - [ -0.0015254100000000, 0.0014324700000000, -0.0001814200000000 ] - [ -0.0010119200000000, -0.0004258300000000, 0.0000582800000000 ] - [ -0.0008497500000000, 0.0000724400000000, -0.0000525400000000 ] - [ -0.0004647500000000, 0.0008064200000000, 0.0001413100000000 ] - [ 0.0005283600000000, -0.0042628300000000, -0.0004052500000000 ] - [ 0.0000297800000000, 0.0010958300000000, -0.0000325400000000 ] - [ -0.0004205500000000, -0.0006687500000000, 0.0000635300000000 ] - [ 0.0004298200000000, 0.0046387700000000, 0.0006017000000000 ] - [ -0.0000751700000000, 0.0005295000000000, 0.0007904500000000 ] - [ -0.0012260000000000, -0.0006068600000000, -0.0007616400000000 ] - [ 0.0008595900000000, 0.0015454300000000, -0.0003199900000000 ] - [ -0.0002011000000000, -0.0003666300000000, -0.0002399200000000 ] - [ -0.0027381100000000, -0.0014717300000000, -0.0003421000000000 ] - [ -0.0012564700000000, -0.0002055600000000, 0.0006154200000000 ] - [ 0.0006407000000000, -0.0013381600000000, 0.0000386800000000 ] - [ -0.0001852700000000, -0.0025893700000000, 0.0016907600000000 ] - [ 0.0012299800000000, -0.0020864400000000, -0.0003324300000000 ] - [ 0.0018556700000000, 0.0002873100000000, 0.0000459800000000 ] - [ 0.0003070600000000, -0.0004319600000000, -0.0000382400000000 ] - [ -0.0008782200000000, 0.0004709300000000, 0.0002608500000000 ] - [ -0.0011230200000000, 0.0003977200000000, 0.0003592900000000 ] - [ -0.0004565000000000, 0.0003629400000000, 0.0007789600000000 ] - [ -0.0003454300000000, -0.0006164600000000, -0.0000317800000000 ] - [ -0.0124856600000000, -0.0200704400000000, 0.0042140400000000 ] - [ -0.0021890300000000, 0.0026684500000000, -0.0169103500000000 ] - [ -0.0002246400000000, 0.0004019600000000, -0.0002674000000000 ] - [ -0.0015230100000000, -0.0001074100000000, 0.0000362200000000 ] - [ -0.0002161700000000, 0.0022650500000000, -0.0016505600000000 ] - [ 0.0010164100000000, 0.0003120300000000, 0.0001527400000000 ] - [ -0.0011114900000000, -0.0006269500000000, 0.0002465200000000 ] - [ 0.0000659200000000, 0.0005693200000000, -0.0000501300000000 ] - [ -0.0005625500000000, -0.0004252700000000, -0.0000115300000000 ] - [ -0.0004407000000000, -0.0006498600000000, -0.0000311700000000 ] - [ -0.0043428900000000, -0.0012290600000000, 0.0217993000000000 ] - [ 0.0024632200000000, 0.0047831500000000, 0.0000769500000000 ] - [ -0.0001089000000000, -0.0003092200000000, -0.0000156900000000 ] - [ -0.0013064000000000, -0.0008068300000000, -0.0003043900000000 ] - [ -0.0014955700000000, -0.0014494500000000, 0.0000002200000000 ] - [ -0.0009797100000000, 0.0000843500000000, 0.0001161300000000 ] - [ -0.0203239900000000, -0.0106245000000000, -0.0026264500000000 ] - [ 0.0012662800000000, 0.0009431800000000, 0.0008431600000000 ] - [ 0.0013695000000000, 0.0020844700000000, -0.0004516600000000 ] - [ 0.0016000300000000, -0.0054219400000000, 0.0008772300000000 ] - [ -0.0010731500000000, 0.0008705900000000, 0.0002466800000000 ] - [ 0.0001161100000000, -0.0005103600000000, -0.0000351100000000 ] - [ -0.0037397500000000, 0.0026809300000000, 0.0008767900000000 ] - [ -0.0032065900000000, 0.0014240100000000, -0.0003562500000000 ] - [ 0.0014997800000000, 0.0000975600000000, 0.0001022900000000 ] - [ -0.0005661100000000, -0.0001470500000000, 0.0000128300000000 ] - [ 0.0000774800000000, -0.0009152800000000, 0.0000581500000000 ] - [ -0.0006518500000000, -0.0004549100000000, 0.0001729300000000 ] - [ -0.0016509200000000, 0.0004260800000000, 0.0003433800000000 ] - [ -0.0006576900000000, 0.0025483200000000, -0.0020302500000000 ] - [ -0.0022389600000000, -0.0009581200000000, -0.0004139300000000 ] - [ 0.0007015800000000, 0.0004200800000000, -0.0002658200000000 ] - [ -0.0023979600000000, 0.0003914600000000, 0.0000587900000000 ] - [ -0.0012983600000000, -0.0009896700000000, 0.0002201500000000 ]- atom: 92 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0004540100000000, -0.0006970600000000, 0.0002234700000000 ] - [ -0.0001537400000000, 0.0001914000000000, 0.0000961900000000 ] - [ -0.0000045100000000, -0.0002980800000000, 0.0002593200000000 ] - [ 0.0004461300000000, -0.0000124800000000, 0.0002133700000000 ] - [ -0.0001864400000000, -0.0004570100000000, 0.0000642000000000 ] - [ -0.0001666400000000, -0.0000036400000000, 0.0002850300000000 ] - [ 0.0009696000000000, 0.0011324200000000, -0.0005456100000000 ] - [ 0.0005281100000000, -0.0008061700000000, -0.0001278300000000 ] - [ 0.0004479900000000, -0.0006512800000000, -0.0001154700000000 ] - [ 0.0000719300000000, -0.0004560400000000, 0.0002168100000000 ] - [ -0.0019551900000000, 0.0036728700000000, -0.0015039400000000 ] - [ 0.0004724700000000, -0.0007591400000000, 0.0001910800000000 ] - [ -0.0002522500000000, 0.0001463500000000, 0.0000359700000000 ] - [ -0.0013624400000000, -0.0009262500000000, 0.0013390100000000 ] - [ 0.0009941200000000, 0.0006823300000000, -0.0005538700000000 ] - [ -0.0019198900000000, -0.0018146100000000, -0.0022733700000000 ] - [ 0.0003603600000000, 0.0000059300000000, 0.0000899400000000 ] - [ -0.0014969600000000, -0.0018283500000000, -0.0027111000000000 ] - [ 0.0008971500000000, 0.0006730300000000, 0.0004209400000000 ] - [ 0.0004131800000000, 0.0000920100000000, 0.0001416300000000 ] - [ 0.0000646900000000, -0.0005495000000000, -0.0000478500000000 ] - [ 0.0009400900000000, 0.0011476200000000, 0.0008728400000000 ] - [ -0.0001790300000000, -0.0001332500000000, -0.0000112300000000 ] - [ 0.0003121200000000, 0.0000788100000000, 0.0000482500000000 ] - [ 0.0003611300000000, -0.0014647200000000, -0.0002559500000000 ] - [ 0.0023841200000000, -0.0004435500000000, -0.0008539900000000 ] - [ 0.0001915100000000, -0.0008813500000000, -0.0001193100000000 ] - [ 0.0014382500000000, -0.0005144400000000, 0.0011147800000000 ] - [ -0.0007917700000000, -0.0001247400000000, 0.0001846300000000 ] - [ 0.0002935400000000, -0.0008523900000000, -0.0000679700000000 ] - [ -0.0000175000000000, 0.0003239500000000, -0.0001665700000000 ] - [ -0.0899385500000000, 0.0418144400000000, -0.0284330400000000 ] - [ 0.0002482300000000, -0.0001365500000000, 0.0004190100000000 ] - [ 0.0000059500000000, -0.0008387700000000, -0.0001998200000000 ] - [ -0.0013533300000000, 0.0004469000000000, 0.0000091200000000 ] - [ 0.0012711400000000, -0.0003417100000000, -0.0003187100000000 ] - [ 0.0006628500000000, -0.0009594400000000, 0.0003588700000000 ] - [ -0.0009892800000000, 0.0023365300000000, 0.0002527500000000 ] - [ -0.0003504100000000, -0.0014871400000000, 0.0008914600000000 ] - [ 0.0002195600000000, 0.0005028100000000, -0.0000608300000000 ] - [ -0.0032149200000000, 0.0039938100000000, -0.0042073700000000 ] - [ -0.0025327100000000, -0.0000019100000000, -0.0018021500000000 ] - [ 0.0011471100000000, 0.0003618300000000, 0.0003415000000000 ] - [ 0.0003155400000000, 0.0000129700000000, -0.0000612900000000 ] - [ 0.0008062100000000, -0.0016296400000000, 0.0000294200000000 ] - [ 0.0015065600000000, 0.0015191200000000, -0.0002853300000000 ] - [ -0.0009880500000000, -0.0026770800000000, -0.0001635200000000 ] - [ 0.0049135700000000, -0.0087594800000000, 0.0013023400000000 ] - [ 0.0009339300000000, -0.0014554200000000, -0.0006320100000000 ] - [ 0.0023470800000000, 0.0000259800000000, 0.0000259000000000 ] - [ 0.0011030600000000, 0.0008657900000000, -0.0005031400000000 ] - [ -0.0694341600000000, 0.0237486600000000, 0.0196949100000000 ] - [ -0.0018976700000000, 0.0064812200000000, 0.0007619900000000 ] - [ -0.0019579300000000, -0.0006738100000000, 0.0003812600000000 ] - [ -0.0007856100000000, -0.0011564000000000, -0.0000582200000000 ] - [ 0.0010170500000000, -0.0006948300000000, 0.0011450000000000 ] - [ -0.0011410800000000, -0.0038303600000000, 0.0003049500000000 ] - [ 0.0005026000000000, 0.0005788100000000, 0.0002733100000000 ] - [ -0.0008711200000000, -0.0005512000000000, 0.0001952400000000 ] - [ 0.0003857400000000, -0.0021835700000000, 0.0004186100000000 ] - [ -0.0037448200000000, 0.0021428000000000, 0.0053201200000000 ] - [ 0.0010553100000000, 0.0001506600000000, -0.0006420700000000 ] - [ -0.0008804000000000, -0.0007808300000000, -0.0007869300000000 ] - [ -0.0012826900000000, 0.0018163100000000, -0.0014137300000000 ] - [ 0.0009826000000000, -0.0014714800000000, -0.0004215700000000 ] - [ -0.0006966300000000, -0.0000457900000000, 0.0001201200000000 ] - [ 0.0004270600000000, -0.0014793400000000, -0.0006561800000000 ] - [ 0.0034171200000000, 0.0008531000000000, 0.0000944400000000 ] - [ 0.0005823100000000, 0.0004033400000000, -0.0005566300000000 ] - [ 0.0060652500000000, -0.0076071700000000, 0.0039136900000000 ] - [ -0.0008085100000000, 0.0003434900000000, 0.0005143700000000 ] - [ 0.0009521700000000, 0.0006829000000000, -0.0000100600000000 ] - [ 0.0004502100000000, 0.0002945100000000, 0.0001452000000000 ] - [ 0.0004066400000000, 0.0001226700000000, -0.0007153100000000 ] - [ -0.0006494700000000, -0.0003547600000000, 0.0002019200000000 ] - [ 0.0003731200000000, -0.0022329100000000, -0.0015730600000000 ] - [ 0.0008753700000000, -0.0008008800000000, -0.0003491000000000 ] - [ -0.0002306600000000, 0.0005486900000000, -0.0000042700000000 ] - [ -0.0003889100000000, 0.0016340000000000, -0.0004224700000000 ] - [ -0.0011219000000000, 0.0007368700000000, 0.0000650000000000 ] - [ -0.0013210300000000, -0.0000468700000000, -0.0000926500000000 ] - [ 0.0003532600000000, 0.0003761100000000, -0.0000201500000000 ] - [ -0.0007044200000000, 0.0005164900000000, -0.0001316400000000 ] - [ -0.0245970400000000, 0.0004818500000000, -0.0003354500000000 ] - [ 0.0000771200000000, -0.0002026700000000, 0.0000457300000000 ] - [ 0.0012177000000000, 0.0014731200000000, -0.0000354100000000 ] - [ -0.0005809900000000, 0.0000629900000000, -0.0003147300000000 ] - [ 0.0004135100000000, 0.0003345500000000, 0.0002014200000000 ] - [ 0.0001220900000000, 0.0010319000000000, -0.0008213800000000 ] - [ 0.0001819000000000, 0.0010171300000000, 0.0000836500000000 ] - [ -0.0002068600000000, -0.0002612500000000, 0.0000699900000000 ] - [ 0.1993888200000000, -0.0611491100000000, 0.0130466900000000 ] - [ 0.0005988500000000, 0.0003387400000000, -0.0000115300000000 ] - [ -0.0002679300000000, -0.0014720700000000, -0.0000380100000000 ] - [ 0.0011319500000000, -0.0007532100000000, 0.0015601200000000 ] - [ 0.0005299500000000, 0.0002160600000000, 0.0001208100000000 ] - [ 0.0000873900000000, -0.0003743000000000, -0.0000055600000000 ] - [ -0.0002258200000000, 0.0000112600000000, -0.0000983400000000 ] - [ -0.0018154600000000, -0.0001309000000000, -0.0007493400000000 ] - [ -0.0004797400000000, -0.0004444500000000, 0.0000011900000000 ] - [ -0.0153177700000000, 0.0146391700000000, -0.0026386500000000 ] - [ -0.0006569100000000, 0.0011535900000000, 0.0000913900000000 ] - [ -0.0003625700000000, -0.0007435800000000, 0.0002860900000000 ] - [ 0.0007296100000000, -0.0017484500000000, -0.0004421300000000 ] - [ -0.0005030000000000, 0.0006541600000000, 0.0001254100000000 ] - [ 0.0039396400000000, -0.0017223800000000, 0.0002724700000000 ] - [ -0.0001309500000000, 0.0016643400000000, -0.0005616100000000 ] - [ -0.0005070500000000, 0.0008750500000000, 0.0000253300000000 ] - [ -0.0010724000000000, -0.0004531000000000, 0.0001433500000000 ] - [ -0.0003199700000000, 0.0008747100000000, -0.0000765600000000 ] - [ -0.0005192200000000, -0.0003204100000000, -0.0000537700000000 ] - [ -0.0009970500000000, 0.0009682600000000, -0.0000773700000000 ] - [ -0.0005165500000000, -0.0002958600000000, 0.0000637500000000 ] - [ -0.0005054100000000, -0.0003478700000000, 0.0000438000000000 ] - [ -0.0004688400000000, 0.0008950400000000, 0.0001503700000000 ] - [ 0.0003022600000000, -0.0001230100000000, 0.0002566700000000 ] - [ -0.0006755100000000, 0.0016608400000000, 0.0000824200000000 ] - [ -0.0000929400000000, 0.0001299200000000, -0.0000474400000000 ] - [ -0.0001326400000000, 0.0042886000000000, 0.0003959300000000 ] - [ -0.0002776200000000, 0.0006116700000000, 0.0007554700000000 ] - [ 0.0000314800000000, -0.0006030200000000, -0.0002408400000000 ] - [ 0.0000930700000000, 0.0012111900000000, -0.0000514300000000 ] - [ -0.0000500600000000, 0.0002937600000000, -0.0001348300000000 ] - [ 0.0016286200000000, -0.0003307900000000, -0.0001116700000000 ] - [ -0.0006094500000000, -0.0003721500000000, 0.0007472000000000 ] - [ 0.0008648200000000, 0.0003385900000000, 0.0000067800000000 ] - [ -0.0003337500000000, -0.0029990300000000, 0.0012614200000000 ] - [ 0.0009714200000000, -0.0010267100000000, -0.0001514700000000 ] - [ 0.0007054600000000, 0.0012317900000000, 0.0002303600000000 ] - [ 0.0004417900000000, 0.0003285600000000, 0.0000230500000000 ] - [ -0.0007216300000000, 0.0000478500000000, 0.0002778200000000 ] - [ -0.0007362800000000, 0.0000752300000000, 0.0001897500000000 ] - [ -0.0003150500000000, 0.0004281900000000, 0.0007677000000000 ] - [ 0.0002738200000000, 0.0000493200000000, 0.0000451600000000 ] - [ 0.0130678900000000, -0.0000657100000000, -0.0011651000000000 ] - [ -0.0026344600000000, -0.0025518600000000, -0.0112072400000000 ] - [ -0.0004376600000000, 0.0006105600000000, -0.0002940200000000 ] - [ -0.0001885300000000, -0.0004963800000000, 0.0000253500000000 ] - [ -0.0007930200000000, 0.0016447500000000, -0.0018887500000000 ] - [ 0.0004046100000000, 0.0006792200000000, 0.0001453900000000 ] - [ -0.0001380700000000, -0.0002182600000000, -0.0002782600000000 ] - [ -0.0003723800000000, 0.0006123200000000, -0.0001102900000000 ] - [ -0.0002723900000000, 0.0000507600000000, -0.0000813800000000 ] - [ 0.0002445300000000, 0.0001550000000000, -0.0002097700000000 ] - [ -0.0039132700000000, -0.0078001600000000, 0.0141953200000000 ] - [ -0.0000373000000000, 0.0041664000000000, -0.0001588200000000 ] - [ 0.0002286500000000, 0.0004602300000000, 0.0000973200000000 ] - [ -0.0003028500000000, -0.0001610800000000, -0.0001821300000000 ] - [ -0.0003424200000000, -0.0001722900000000, -0.0000210200000000 ] - [ -0.0003907100000000, -0.0002046100000000, 0.0000259400000000 ] - [ -0.0048659600000000, -0.0078820200000000, -0.0009819400000000 ] - [ 0.0001133800000000, -0.0006511100000000, -0.0003850500000000 ] - [ 0.0003818300000000, 0.0011531700000000, -0.0002657200000000 ] - [ 0.0025865900000000, -0.0013297900000000, 0.0005002800000000 ] - [ -0.0008128000000000, 0.0006454600000000, 0.0002012700000000 ] - [ 0.0001554700000000, 0.0004755500000000, -0.0000344200000000 ] - [ -0.0031127500000000, 0.0013684000000000, 0.0007250000000000 ] - [ -0.0040622100000000, 0.0008670600000000, -0.0004806900000000 ] - [ 0.0008828200000000, 0.0009712300000000, 0.0001290800000000 ] - [ -0.0001057200000000, 0.0000966700000000, 0.0000013600000000 ] - [ 0.0004455600000000, 0.0002454500000000, -0.0002761800000000 ] - [ -0.0002869200000000, -0.0001634800000000, 0.0000767000000000 ] - [ -0.0007726100000000, 0.0000607400000000, 0.0000683600000000 ] - [ -0.0009626000000000, 0.0012955600000000, -0.0012856500000000 ] - [ -0.0015456300000000, -0.0014221300000000, -0.0004606200000000 ] - [ 0.0002863200000000, 0.0006434900000000, -0.0001391600000000 ] - [ -0.0011795900000000, 0.0001332700000000, 0.0000787700000000 ] - [ -0.0005990800000000, -0.0003156600000000, 0.0001596800000000 ]- atom: 92 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0005086000000000, 0.0007272600000000, 0.0000012900000000 ] - [ 0.0001532600000000, -0.0001917300000000, 0.0000244500000000 ] - [ 0.0001223100000000, 0.0004515700000000, 0.0001988400000000 ] - [ -0.0005613100000000, -0.0001411300000000, 0.0002454100000000 ] - [ -0.0001129300000000, 0.0002591300000000, -0.0000298900000000 ] - [ 0.0003605600000000, -0.0000157700000000, 0.0001733900000000 ] - [ -0.0009580300000000, -0.0011353700000000, 0.0006556300000000 ] - [ -0.0004736400000000, 0.0007720200000000, 0.0003544100000000 ] - [ -0.0004468900000000, 0.0006478300000000, 0.0002258200000000 ] - [ 0.0000022300000000, 0.0002814600000000, 0.0002427600000000 ] - [ 0.0022181900000000, -0.0035386600000000, 0.0016339200000000 ] - [ -0.0004690100000000, 0.0007574100000000, -0.0001317400000000 ] - [ 0.0002538100000000, -0.0001451400000000, 0.0000851500000000 ] - [ 0.0012898500000000, 0.0008967300000000, -0.0011102700000000 ] - [ -0.0011801800000000, -0.0006545900000000, 0.0010087100000000 ] - [ 0.0018471500000000, 0.0019778500000000, 0.0027365600000000 ] - [ -0.0003574300000000, -0.0000680000000000, 0.0001351000000000 ] - [ 0.0015285800000000, 0.0018603800000000, 0.0029239900000000 ] - [ -0.0009203900000000, -0.0003115800000000, -0.0003843000000000 ] - [ -0.0004089200000000, -0.0000300300000000, 0.0000836200000000 ] - [ 0.0002588700000000, 0.0003901400000000, 0.0000840100000000 ] - [ -0.0009362500000000, -0.0011524700000000, -0.0008128800000000 ] - [ 0.0002048400000000, -0.0002220900000000, 0.0000460500000000 ] - [ -0.0006339100000000, 0.0000804700000000, -0.0000127800000000 ] - [ -0.0005064900000000, 0.0001806800000000, -0.0002442000000000 ] - [ -0.0026410400000000, 0.0007875600000000, 0.0008000400000000 ] - [ 0.0011035000000000, -0.0002283100000000, 0.0000106800000000 ] - [ -0.0002600600000000, 0.0010415100000000, -0.0016034300000000 ] - [ 0.0007657800000000, 0.0001717600000000, 0.0006187900000000 ] - [ -0.0006195000000000, -0.0008101200000000, -0.0000406800000000 ] - [ -0.0015918800000000, -0.0008770700000000, 0.0000632500000000 ] - [ 0.0859082200000000, -0.0414324800000000, 0.0276267200000000 ] - [ -0.0002891700000000, 0.0001463000000000, 0.0003852200000000 ] - [ -0.0010532800000000, 0.0016053300000000, -0.0002977000000000 ] - [ 0.0016836100000000, 0.0012199100000000, -0.0001173100000000 ] - [ -0.0016920400000000, 0.0002654700000000, 0.0002757000000000 ] - [ -0.0006488700000000, 0.0009989300000000, 0.0004407200000000 ] - [ -0.0003043900000000, -0.0012234200000000, -0.0003624600000000 ] - [ 0.0003324800000000, 0.0014408800000000, -0.0000945000000000 ] - [ 0.0000599300000000, -0.0008481900000000, 0.0000114700000000 ] - [ 0.0033652900000000, -0.0035635600000000, 0.0041096000000000 ] - [ 0.0013923900000000, -0.0004778100000000, 0.0013497100000000 ] - [ -0.0010953100000000, -0.0003668600000000, 0.0004624200000000 ] - [ 0.0012972500000000, 0.0005445600000000, -0.0000423300000000 ] - [ -0.0003797600000000, 0.0017025700000000, -0.0000728800000000 ] - [ -0.0013529400000000, -0.0002403700000000, -0.0002145000000000 ] - [ 0.0008085600000000, 0.0022508100000000, 0.0001236000000000 ] - [ -0.0038807600000000, 0.0079736900000000, -0.0018010600000000 ] - [ -0.0006681500000000, 0.0004181900000000, -0.0005035900000000 ] - [ -0.0006854100000000, 0.0003419700000000, 0.0006456700000000 ] - [ -0.0013014400000000, -0.0002382600000000, -0.0007725100000000 ] - [ 0.0706678000000000, -0.0243860900000000, -0.0191604300000000 ] - [ 0.0025714000000000, -0.0070276100000000, -0.0003978600000000 ] - [ 0.0018185700000000, -0.0001545400000000, -0.0000303100000000 ] - [ -0.0003791900000000, 0.0023929500000000, 0.0007262900000000 ] - [ -0.0002999400000000, 0.0005482600000000, -0.0024176400000000 ] - [ 0.0008777900000000, 0.0048733100000000, -0.0014457500000000 ] - [ -0.0003620200000000, 0.0002525800000000, 0.0000795400000000 ] - [ 0.0001036800000000, 0.0002475000000000, 0.0001556000000000 ] - [ -0.0008906000000000, 0.0005673000000000, 0.0002522500000000 ] - [ 0.0026738000000000, -0.0018608500000000, -0.0064707700000000 ] - [ -0.0017962800000000, -0.0009124800000000, -0.0004951400000000 ] - [ 0.0019139400000000, 0.0005090000000000, -0.0003482400000000 ] - [ 0.0008617900000000, -0.0023612400000000, 0.0001468500000000 ] - [ -0.0007710400000000, 0.0008402500000000, -0.0008528500000000 ] - [ 0.0000240900000000, 0.0005912300000000, 0.0002423500000000 ] - [ -0.0011382200000000, 0.0016050200000000, -0.0006101400000000 ] - [ -0.0029105800000000, 0.0007592500000000, 0.0005784300000000 ] - [ 0.0001692100000000, 0.0003654400000000, -0.0005803900000000 ] - [ -0.0056087700000000, 0.0081150400000000, -0.0051470100000000 ] - [ -0.0008304900000000, -0.0007048200000000, 0.0001554100000000 ] - [ -0.0001807600000000, -0.0003745200000000, 0.0003599800000000 ] - [ 0.0001618600000000, 0.0000072800000000, 0.0000283300000000 ] - [ 0.0003205000000000, 0.0002258400000000, 0.0009759400000000 ] - [ 0.0015062800000000, 0.0006167600000000, 0.0000545100000000 ] - [ -0.0011559200000000, 0.0026814600000000, 0.0016423900000000 ] - [ -0.0007180700000000, 0.0006472400000000, 0.0003059700000000 ] - [ 0.0004178600000000, -0.0002664700000000, -0.0001135600000000 ] - [ 0.0004571000000000, -0.0011431400000000, 0.0000847600000000 ] - [ 0.0000261500000000, -0.0007812700000000, -0.0000603800000000 ] - [ 0.0006027600000000, 0.0003002200000000, 0.0000496300000000 ] - [ -0.0009240100000000, 0.0000014900000000, 0.0001910900000000 ] - [ 0.0013232300000000, -0.0014900200000000, 0.0001578900000000 ] - [ 0.0234742100000000, 0.0004865800000000, -0.0003520100000000 ] - [ 0.0004931900000000, -0.0001761900000000, 0.0001251300000000 ] - [ -0.0012412200000000, -0.0005685300000000, 0.0001044700000000 ] - [ 0.0016724400000000, -0.0000107000000000, 0.0003230000000000 ] - [ -0.0005630600000000, -0.0000346700000000, -0.0003237500000000 ] - [ -0.0003081500000000, -0.0013138700000000, 0.0007067800000000 ] - [ -0.0000915000000000, -0.0006379500000000, -0.0005160900000000 ] - [ 0.0002616300000000, 0.0004681300000000, -0.0001119300000000 ] - [ -0.1950581900000000, 0.0595843500000000, -0.0113240400000000 ] - [ -0.0000566800000000, -0.0001589400000000, -0.0001161500000000 ] - [ 0.0004795800000000, 0.0015232900000000, -0.0000067600000000 ] - [ -0.0009828500000000, 0.0007663000000000, 0.0000370000000000 ] - [ -0.0005868000000000, -0.0004302200000000, -0.0001631400000000 ] - [ -0.0004758300000000, 0.0006661100000000, -0.0003264000000000 ] - [ 0.0006599000000000, -0.0003949100000000, -0.0000269400000000 ] - [ 0.0003431000000000, -0.0006215500000000, 0.0000414000000000 ] - [ 0.0003649900000000, -0.0001189100000000, -0.0001328500000000 ] - [ 0.0149649300000000, -0.0137208500000000, 0.0025956900000000 ] - [ 0.0008614200000000, -0.0002740100000000, 0.0001666200000000 ] - [ 0.0003197600000000, 0.0000598400000000, -0.0001161900000000 ] - [ -0.0013399600000000, 0.0014438900000000, 0.0006140400000000 ] - [ -0.0000647400000000, -0.0011386400000000, -0.0001643800000000 ] - [ -0.0032610200000000, 0.0011054600000000, -0.0000143300000000 ] - [ 0.0002163700000000, -0.0000145600000000, -0.0001448600000000 ] - [ 0.0001916600000000, -0.0013277700000000, 0.0000726700000000 ] - [ 0.0002818400000000, -0.0000036900000000, -0.0000702400000000 ] - [ -0.0001355200000000, -0.0010652300000000, -0.0002601100000000 ] - [ 0.0009707200000000, 0.0005113100000000, -0.0002825000000000 ] - [ 0.0013109600000000, -0.0005124800000000, 0.0001731700000000 ] - [ 0.0005382000000000, -0.0006113700000000, 0.0000047300000000 ] - [ 0.0010532300000000, 0.0002940100000000, 0.0000548500000000 ] - [ -0.0001949400000000, -0.0004619600000000, 0.0000986500000000 ] - [ -0.0010170300000000, -0.0002568100000000, -0.0000077000000000 ] - [ 0.0004714500000000, -0.0025391200000000, 0.0001742100000000 ] - [ -0.0000639000000000, 0.0000202200000000, 0.0000055500000000 ] - [ 0.0006606600000000, -0.0032723500000000, -0.0003846300000000 ] - [ 0.0003789700000000, -0.0007368000000000, 0.0008627900000000 ] - [ 0.0003139300000000, 0.0005345500000000, -0.0000236900000000 ] - [ -0.0001605900000000, -0.0013211900000000, 0.0000681600000000 ] - [ -0.0000420200000000, 0.0000007400000000, -0.0001476500000000 ] - [ -0.0001831400000000, 0.0010776000000000, -0.0005958500000000 ] - [ 0.0005480000000000, 0.0002292300000000, 0.0008633700000000 ] - [ -0.0000741400000000, -0.0007913700000000, 0.0000625000000000 ] - [ -0.0001973200000000, 0.0020032200000000, -0.0012435200000000 ] - [ -0.0008491600000000, 0.0002984000000000, 0.0001173000000000 ] - [ -0.0013516300000000, -0.0006197700000000, 0.0000230500000000 ] - [ 0.0003448600000000, 0.0001253500000000, 0.0000490100000000 ] - [ 0.0010048100000000, -0.0003122900000000, -0.0007104300000000 ] - [ 0.0011042000000000, 0.0000424300000000, -0.0006242800000000 ] - [ 0.0003709900000000, -0.0002853100000000, 0.0008410200000000 ] - [ -0.0004908100000000, -0.0001046600000000, -0.0000893200000000 ] - [ -0.0130709100000000, 0.0000630200000000, 0.0011937400000000 ] - [ 0.0027971700000000, 0.0022101900000000, 0.0110570500000000 ] - [ 0.0000671900000000, -0.0007258800000000, -0.0001386900000000 ] - [ 0.0002555500000000, 0.0003703000000000, -0.0000082900000000 ] - [ 0.0006419900000000, -0.0016568500000000, 0.0034750600000000 ] - [ -0.0006209600000000, -0.0001780500000000, -0.0000455500000000 ] - [ -0.0001548800000000, 0.0004798200000000, -0.0001570500000000 ] - [ 0.0005076400000000, -0.0006168800000000, 0.0001273900000000 ] - [ -0.0000692500000000, -0.0000353600000000, -0.0000408900000000 ] - [ -0.0005915900000000, -0.0000904900000000, -0.0000539200000000 ] - [ 0.0037643100000000, 0.0074953600000000, -0.0145924200000000 ] - [ 0.0007169400000000, -0.0046071900000000, 0.0004090300000000 ] - [ -0.0001876500000000, 0.0002201500000000, 0.0000725100000000 ] - [ 0.0005171600000000, 0.0004128600000000, -0.0000860500000000 ] - [ -0.0002139400000000, 0.0002169600000000, 0.0001183100000000 ] - [ 0.0007276400000000, 0.0001859400000000, -0.0001473400000000 ] - [ 0.0043138500000000, 0.0076615100000000, 0.0008491900000000 ] - [ -0.0001819700000000, 0.0001780600000000, 0.0000638100000000 ] - [ 0.0001895100000000, -0.0006578400000000, 0.0002261700000000 ] - [ -0.0024947100000000, 0.0010319000000000, -0.0007817600000000 ] - [ 0.0007356400000000, -0.0005159500000000, -0.0001824000000000 ] - [ -0.0000431700000000, 0.0000854200000000, -0.0000975900000000 ] - [ 0.0029778100000000, -0.0013624700000000, -0.0007100100000000 ] - [ 0.0044082200000000, -0.0011587300000000, 0.0001428700000000 ] - [ -0.0013155600000000, -0.0005880200000000, -0.0002542500000000 ] - [ 0.0008141000000000, -0.0003496300000000, -0.0000441100000000 ] - [ -0.0006621700000000, -0.0005001000000000, 0.0000081600000000 ] - [ 0.0002579900000000, -0.0006362900000000, 0.0001751000000000 ] - [ 0.0001420000000000, 0.0009175600000000, -0.0000387300000000 ] - [ 0.0008606200000000, -0.0011637100000000, 0.0029089500000000 ] - [ 0.0014569300000000, -0.0002246700000000, -0.0002455300000000 ] - [ 0.0011034600000000, -0.0015418300000000, -0.0005672400000000 ] - [ 0.0012003500000000, 0.0006647800000000, 0.0001726300000000 ] - [ -0.0002657000000000, 0.0000480700000000, 0.0000960400000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000844700000000, 0.0000032200000000, 0.0000775200000000 ] - [ 0.0000347200000000, -0.0000001500000000, 0.0001011200000000 ] - [ 0.0000543000000000, 0.0001793700000000, 0.0002197400000000 ] - [ -0.0000124800000000, -0.0001059100000000, 0.0002444700000000 ] - [ -0.0001567300000000, -0.0000768900000000, 0.0000238700000000 ] - [ 0.0001264200000000, 0.0001191400000000, 0.0002243200000000 ] - [ 0.0010771400000000, 0.0000778600000000, 0.0003817400000000 ] - [ 0.0000276500000000, -0.0001239900000000, 0.0001833100000000 ] - [ 0.0000141500000000, 0.0000150700000000, 0.0000239300000000 ] - [ 0.0000304100000000, -0.0000817500000000, 0.0002232400000000 ] - [ -0.0001027600000000, -0.0018367000000000, 0.0029555200000000 ] - [ -0.0000144000000000, 0.0000374500000000, 0.0000549200000000 ] - [ 0.0001278600000000, 0.0000698900000000, 0.0000153000000000 ] - [ -0.0001557300000000, 0.0011267900000000, 0.0000052700000000 ] - [ 0.0005317700000000, -0.0001742500000000, -0.0001484000000000 ] - [ -0.0004522400000000, -0.0026650800000000, -0.0001165800000000 ] - [ 0.0000444200000000, 0.0000021500000000, 0.0001081200000000 ] - [ 0.0002956000000000, -0.0028717200000000, -0.0013734100000000 ] - [ -0.0004080100000000, 0.0001040600000000, 0.0002233800000000 ] - [ 0.0000550600000000, 0.0000531000000000, 0.0001226400000000 ] - [ 0.0001548400000000, -0.0000293100000000, 0.0000255900000000 ] - [ -0.0002455600000000, -0.0001476100000000, -0.0002219100000000 ] - [ 0.0000259100000000, -0.0000906900000000, 0.0000138400000000 ] - [ -0.0001243800000000, 0.0000463500000000, -0.0000007400000000 ] - [ -0.0000451100000000, -0.0005535600000000, -0.0002412000000000 ] - [ -0.0000314200000000, 0.0001893300000000, -0.0000658500000000 ] - [ 0.0007217200000000, -0.0004522000000000, -0.0000412400000000 ] - [ 0.0003577200000000, 0.0013784200000000, -0.0004906100000000 ] - [ -0.0001232300000000, 0.0001899300000000, 0.0002207100000000 ] - [ -0.0001006100000000, -0.0008214600000000, -0.0000391000000000 ] - [ -0.0004460700000000, -0.0003749600000000, -0.0001391500000000 ] - [ 0.0381389300000000, -0.0120005200000000, 0.0351533100000000 ] - [ 0.0000715800000000, 0.0001980600000000, 0.0004123300000000 ] - [ -0.0005766400000000, 0.0003776500000000, -0.0002564300000000 ] - [ 0.0001618300000000, 0.0017046800000000, 0.0002436500000000 ] - [ 0.0001048100000000, -0.0002406200000000, -0.0000325400000000 ] - [ 0.0000126300000000, -0.0000300200000000, 0.0004262900000000 ] - [ -0.0008509500000000, -0.0002646500000000, -0.0007972900000000 ] - [ -0.0004733700000000, 0.0000786800000000, -0.0001745300000000 ] - [ 0.0004072300000000, -0.0000082800000000, -0.0000921600000000 ] - [ -0.0014101100000000, 0.0023850800000000, -0.0111068300000000 ] - [ -0.0005316400000000, 0.0003003900000000, 0.0011497500000000 ] - [ 0.0000962500000000, -0.0000752000000000, 0.0003376100000000 ] - [ 0.0008860300000000, 0.0004650200000000, -0.0000514200000000 ] - [ 0.0001606200000000, 0.0001744400000000, -0.0000035300000000 ] - [ 0.0001734200000000, 0.0005129200000000, -0.0002206800000000 ] - [ -0.0002022200000000, -0.0003670200000000, 0.0000732900000000 ] - [ -0.0004129200000000, 0.0007384500000000, 0.0001701800000000 ] - [ 0.0001927800000000, -0.0006106000000000, -0.0005489400000000 ] - [ 0.0007281900000000, 0.0002147000000000, 0.0001697100000000 ] - [ 0.0000956700000000, 0.0002285900000000, -0.0007422700000000 ] - [ -0.0666236100000000, -0.0159081400000000, 0.0678597400000000 ] - [ 0.0005938600000000, 0.0004166100000000, 0.0022921700000000 ] - [ 0.0001241000000000, -0.0000831100000000, -0.0002975200000000 ] - [ -0.0006689700000000, 0.0005112800000000, 0.0001948600000000 ] - [ 0.0002320900000000, -0.0007477000000000, -0.0018851800000000 ] - [ -0.0003827900000000, 0.0008567700000000, -0.0000983500000000 ] - [ 0.0001597900000000, 0.0004559200000000, 0.0002119800000000 ] - [ -0.0002906900000000, 0.0001393100000000, 0.0002031400000000 ] - [ -0.0003390400000000, -0.0007081400000000, 0.0002768900000000 ] - [ 0.0005680100000000, -0.0006558800000000, -0.0108097500000000 ] - [ -0.0002274800000000, -0.0004399100000000, -0.0005786300000000 ] - [ 0.0002064400000000, 0.0000788000000000, -0.0003486200000000 ] - [ -0.0004106200000000, 0.0008922100000000, -0.0021316700000000 ] - [ 0.0001764900000000, -0.0002228200000000, -0.0006123000000000 ] - [ -0.0002485800000000, 0.0004058900000000, 0.0001495800000000 ] - [ -0.0004080400000000, 0.0000406900000000, -0.0006005900000000 ] - [ 0.0000601100000000, 0.0005716300000000, 0.0005356100000000 ] - [ 0.0004395000000000, 0.0005879900000000, -0.0005745600000000 ] - [ 0.0005828900000000, -0.0001050100000000, 0.0004130700000000 ] - [ -0.0004976600000000, 0.0000351900000000, 0.0003636400000000 ] - [ 0.0004032900000000, 0.0000626400000000, -0.0000553700000000 ] - [ 0.0002802500000000, 0.0001046700000000, 0.0001028100000000 ] - [ 0.0009641200000000, -0.0009365200000000, 0.0027040300000000 ] - [ 0.0003730800000000, 0.0001186000000000, 0.0001200200000000 ] - [ -0.0007143000000000, 0.0018459100000000, 0.0030278800000000 ] - [ -0.0000939800000000, -0.0000130000000000, 0.0002876200000000 ] - [ 0.0000783800000000, 0.0001746400000000, -0.0000864900000000 ] - [ 0.0000666700000000, 0.0002608700000000, -0.0001899600000000 ] - [ -0.0004991700000000, -0.0000348100000000, -0.0000194300000000 ] - [ -0.0004706800000000, 0.0001442500000000, -0.0000197100000000 ] - [ -0.0003507300000000, -0.0000922100000000, 0.0002746800000000 ] - [ 0.0002756900000000, -0.0005042000000000, 0.0000141200000000 ] - [ 0.0056561000000000, -0.0010580400000000, -0.0066848900000000 ] - [ 0.0002486500000000, -0.0001932500000000, 0.0000601800000000 ] - [ 0.0001044100000000, 0.0003309200000000, -0.0002250500000000 ] - [ 0.0003811200000000, 0.0003801200000000, 0.0004442100000000 ] - [ 0.0000323000000000, 0.0001664000000000, -0.0000968100000000 ] - [ 0.0002352200000000, -0.0005202500000000, -0.0000846200000000 ] - [ 0.0000649800000000, 0.0002335800000000, -0.0001613400000000 ] - [ -0.0000030000000000, 0.0001375200000000, 0.0000212300000000 ] - [ 0.0401179800000000, 0.0371535600000000, -0.1093188200000000 ] - [ 0.0002417200000000, -0.0000502300000000, -0.0000333500000000 ] - [ -0.0003625200000000, -0.0002204500000000, -0.0001682300000000 ] - [ 0.0008284900000000, 0.0002845700000000, 0.0011384500000000 ] - [ -0.0001555300000000, -0.0004367800000000, -0.0001347900000000 ] - [ -0.0003461400000000, -0.0001571600000000, 0.0000610500000000 ] - [ 0.0001765400000000, -0.0001956100000000, -0.0000703400000000 ] - [ -0.0005999100000000, -0.0005204200000000, -0.0003033300000000 ] - [ -0.0001020000000000, -0.0002063700000000, -0.0000184700000000 ] - [ -0.0021864900000000, 0.0027877200000000, -0.0039378700000000 ] - [ 0.0000301700000000, 0.0005757000000000, 0.0001516600000000 ] - [ -0.0001429100000000, -0.0003329300000000, 0.0002400600000000 ] - [ 0.0003937300000000, 0.0002616900000000, -0.0007324600000000 ] - [ -0.0002562300000000, -0.0002213300000000, -0.0000334600000000 ] - [ 0.0005155300000000, -0.0006253600000000, 0.0049458900000000 ] - [ 0.0000378600000000, 0.0007528400000000, -0.0003322900000000 ] - [ -0.0000592400000000, -0.0002941800000000, 0.0001075800000000 ] - [ -0.0005271700000000, -0.0001078600000000, -0.0000001300000000 ] - [ -0.0002462500000000, -0.0001928500000000, -0.0001883400000000 ] - [ 0.0001340000000000, 0.0001432700000000, -0.0001317400000000 ] - [ 0.0001753500000000, 0.0003006200000000, 0.0000169600000000 ] - [ -0.0000395300000000, -0.0004364600000000, 0.0000346500000000 ] - [ 0.0003020100000000, -0.0000332800000000, 0.0001084400000000 ] - [ -0.0003183200000000, 0.0002609900000000, 0.0001348300000000 ] - [ -0.0002880700000000, -0.0006609400000000, -0.0000267400000000 ] - [ 0.0000256600000000, -0.0005993700000000, 0.0000414500000000 ] - [ -0.0001300800000000, 0.0000333700000000, -0.0000261300000000 ] - [ 0.0001586700000000, 0.0007814900000000, -0.0001344600000000 ] - [ 0.0000725700000000, -0.0000579500000000, 0.0007969800000000 ] - [ 0.0002666700000000, 0.0001106600000000, 0.0000113700000000 ] - [ -0.0002621200000000, -0.0001173900000000, 0.0003538200000000 ] - [ -0.0000687500000000, 0.0001153200000000, -0.0001440900000000 ] - [ 0.0002678100000000, 0.0001995800000000, -0.0005317000000000 ] - [ -0.0000822100000000, -0.0000470900000000, 0.0008542200000000 ] - [ 0.0004118000000000, -0.0003521000000000, 0.0000143200000000 ] - [ -0.0010629400000000, -0.0024783100000000, 0.0021956100000000 ] - [ 0.0002139600000000, -0.0007898100000000, 0.0002835700000000 ] - [ -0.0001353400000000, 0.0003161300000000, -0.0000532200000000 ] - [ 0.0003934600000000, 0.0000909800000000, 0.0000418300000000 ] - [ 0.0001039400000000, -0.0001029800000000, -0.0001097700000000 ] - [ 0.0001099700000000, 0.0001930500000000, -0.0003489700000000 ] - [ 0.0000083700000000, 0.0000337900000000, 0.0007852100000000 ] - [ -0.0001949500000000, -0.0001023000000000, -0.0000183500000000 ] - [ -0.0030021800000000, -0.0025804900000000, -0.0075232400000000 ] - [ 0.0094751200000000, -0.0025465000000000, 0.0126221700000000 ] - [ -0.0001459100000000, -0.0001251500000000, -0.0001848500000000 ] - [ -0.0001203100000000, -0.0000331900000000, -0.0000341500000000 ] - [ 0.0001441000000000, -0.0003421300000000, 0.0000121000000000 ] - [ -0.0000123000000000, 0.0002013200000000, 0.0001144500000000 ] - [ -0.0002885400000000, -0.0000152800000000, -0.0002325300000000 ] - [ 0.0001270500000000, -0.0000073900000000, 0.0000296700000000 ] - [ -0.0002084000000000, -0.0000804600000000, -0.0000628600000000 ] - [ -0.0002491400000000, -0.0000657000000000, -0.0001145100000000 ] - [ -0.0187413000000000, -0.0008649700000000, 0.0202354600000000 ] - [ 0.0005631300000000, -0.0004453100000000, -0.0006616400000000 ] - [ -0.0000236000000000, 0.0002379000000000, 0.0000550300000000 ] - [ 0.0000036000000000, 0.0001049100000000, -0.0001377000000000 ] - [ -0.0004053600000000, -0.0001732800000000, 0.0000179400000000 ] - [ 0.0001099100000000, 0.0000189900000000, -0.0000231800000000 ] - [ -0.0029977300000000, -0.0012350400000000, -0.0041961600000000 ] - [ 0.0007086000000000, 0.0009371600000000, 0.0035598600000000 ] - [ 0.0004192200000000, 0.0005494800000000, 0.0003316300000000 ] - [ -0.0007150800000000, -0.0008718300000000, -0.0011018700000000 ] - [ -0.0000218100000000, 0.0000194500000000, 0.0000245900000000 ] - [ 0.0000577000000000, 0.0001176000000000, -0.0000818300000000 ] - [ 0.0003257200000000, -0.0001956600000000, -0.0002536800000000 ] - [ -0.0001627300000000, -0.0000586300000000, -0.0003576800000000 ] - [ -0.0000677900000000, -0.0000008100000000, 0.0006321000000000 ] - [ 0.0002908900000000, -0.0001817600000000, -0.0000273300000000 ] - [ -0.0001960500000000, -0.0002921900000000, -0.0000291800000000 ] - [ -0.0000624900000000, -0.0004736800000000, 0.0001471100000000 ] - [ -0.0005087400000000, 0.0005010100000000, 0.0001337100000000 ] - [ 0.0001677800000000, 0.0001257900000000, 0.0013885000000000 ] - [ 0.0000048300000000, -0.0006952500000000, -0.0004116200000000 ] - [ 0.0007173000000000, -0.0004435800000000, -0.0003348600000000 ] - [ -0.0000891800000000, 0.0004379800000000, 0.0001262600000000 ] - [ -0.0005427200000000, -0.0002762400000000, 0.0001409100000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000370500000000, 0.0000293200000000, 0.0001502700000000 ] - [ -0.0000343600000000, 0.0000000800000000, 0.0000218100000000 ] - [ 0.0000575100000000, -0.0000304400000000, 0.0002389300000000 ] - [ -0.0000986800000000, -0.0000421000000000, 0.0002134600000000 ] - [ -0.0001362700000000, -0.0001282200000000, 0.0000091800000000 ] - [ 0.0000589100000000, -0.0001391900000000, 0.0002337800000000 ] - [ -0.0010773100000000, -0.0000792200000000, -0.0002840000000000 ] - [ 0.0000182200000000, 0.0000907400000000, 0.0000417900000000 ] - [ -0.0000146400000000, -0.0000160300000000, 0.0000840300000000 ] - [ 0.0000422900000000, -0.0000865200000000, 0.0002366700000000 ] - [ 0.0003670400000000, 0.0018476500000000, -0.0027223400000000 ] - [ 0.0000152700000000, -0.0000361400000000, -0.0000026800000000 ] - [ -0.0001261300000000, -0.0000687200000000, 0.0001090300000000 ] - [ 0.0000997000000000, -0.0011521800000000, 0.0002133100000000 ] - [ -0.0007115900000000, 0.0001957200000000, 0.0006128000000000 ] - [ 0.0003800400000000, 0.0028313200000000, 0.0005584400000000 ] - [ -0.0000489400000000, -0.0000577800000000, 0.0001182400000000 ] - [ -0.0002439900000000, 0.0028827400000000, 0.0016110300000000 ] - [ 0.0003772600000000, 0.0002532900000000, -0.0001927600000000 ] - [ -0.0000492900000000, 0.0000031500000000, 0.0001028200000000 ] - [ 0.0001713400000000, -0.0001220600000000, 0.0000088300000000 ] - [ 0.0002448700000000, 0.0001470900000000, 0.0002829700000000 ] - [ 0.0000073500000000, -0.0002657500000000, 0.0000212400000000 ] - [ -0.0002014300000000, 0.0001059000000000, 0.0000362600000000 ] - [ -0.0000904900000000, -0.0007251000000000, -0.0002600400000000 ] - [ -0.0002372700000000, 0.0001682800000000, 0.0000226800000000 ] - [ 0.0005814100000000, -0.0006425900000000, -0.0000667300000000 ] - [ 0.0008160400000000, -0.0008583100000000, -0.0000138400000000 ] - [ 0.0001053500000000, -0.0001456000000000, 0.0005827100000000 ] - [ -0.0002055600000000, -0.0008406700000000, -0.0000698400000000 ] - [ -0.0011554100000000, -0.0001956900000000, 0.0000376600000000 ] - [ -0.0386014900000000, 0.0120648900000000, -0.0339473500000000 ] - [ -0.0001191800000000, -0.0001834500000000, 0.0003906800000000 ] - [ -0.0004730000000000, 0.0003791300000000, -0.0002424600000000 ] - [ 0.0001470200000000, -0.0000402200000000, -0.0003476800000000 ] - [ -0.0005414000000000, 0.0001771800000000, -0.0000112500000000 ] - [ 0.0000090100000000, 0.0000700600000000, 0.0003722900000000 ] - [ -0.0004403900000000, 0.0013716700000000, 0.0006804100000000 ] - [ 0.0004470600000000, -0.0001138600000000, 0.0009737800000000 ] - [ -0.0001411400000000, -0.0003482100000000, 0.0000433300000000 ] - [ 0.0015781500000000, -0.0019820400000000, 0.0110748600000000 ] - [ -0.0006173800000000, -0.0008007500000000, -0.0016036600000000 ] - [ -0.0000447700000000, 0.0000629300000000, 0.0004663200000000 ] - [ 0.0007162200000000, 0.0001086500000000, -0.0000527600000000 ] - [ 0.0002714400000000, -0.0001109900000000, -0.0000374700000000 ] - [ -0.0000335600000000, 0.0007662700000000, -0.0002791000000000 ] - [ 0.0000241500000000, -0.0000470700000000, -0.0001077300000000 ] - [ 0.0014682800000000, -0.0015445400000000, -0.0006549300000000 ] - [ 0.0000782100000000, -0.0004234100000000, -0.0005878000000000 ] - [ 0.0009385800000000, 0.0001628500000000, 0.0005058000000000 ] - [ -0.0003127300000000, 0.0004001800000000, -0.0005306800000000 ] - [ 0.0693038000000000, 0.0149645300000000, -0.0668756200000000 ] - [ 0.0000685800000000, -0.0010033000000000, -0.0019439400000000 ] - [ -0.0002805000000000, -0.0007361200000000, 0.0006471300000000 ] - [ -0.0005034400000000, 0.0007272100000000, 0.0004755300000000 ] - [ 0.0004634300000000, 0.0006432800000000, 0.0006310500000000 ] - [ 0.0001060000000000, 0.0001709900000000, -0.0010285300000000 ] - [ 0.0000015100000000, 0.0003724900000000, 0.0001377300000000 ] - [ -0.0004866400000000, -0.0004254300000000, 0.0001447500000000 ] - [ -0.0001626500000000, -0.0009172800000000, 0.0003948500000000 ] - [ -0.0016131900000000, 0.0009300900000000, 0.0096757500000000 ] - [ -0.0005142500000000, -0.0003309300000000, -0.0005564500000000 ] - [ 0.0008424800000000, -0.0003505400000000, -0.0007840200000000 ] - [ -0.0000103400000000, -0.0014722700000000, 0.0008666700000000 ] - [ 0.0000421600000000, -0.0004058500000000, -0.0006631000000000 ] - [ -0.0004116300000000, 0.0001535900000000, 0.0002106000000000 ] - [ -0.0003102500000000, 0.0000772700000000, -0.0006662000000000 ] - [ 0.0004473900000000, 0.0010551000000000, 0.0001321500000000 ] - [ 0.0003045600000000, 0.0001842700000000, -0.0005622200000000 ] - [ -0.0001781700000000, 0.0006948400000000, -0.0017053600000000 ] - [ -0.0011566800000000, -0.0004081800000000, 0.0003040600000000 ] - [ 0.0003795600000000, 0.0002264500000000, 0.0004062300000000 ] - [ 0.0003346000000000, 0.0001906900000000, 0.0000750900000000 ] - [ -0.0002471700000000, 0.0013028300000000, -0.0024479600000000 ] - [ 0.0004899100000000, 0.0001394000000000, 0.0001441600000000 ] - [ -0.0000793800000000, -0.0013925500000000, -0.0029450600000000 ] - [ 0.0002601100000000, -0.0001458900000000, -0.0003291200000000 ] - [ 0.0001055200000000, 0.0001078500000000, -0.0000325000000000 ] - [ -0.0000037400000000, 0.0002290200000000, -0.0001464600000000 ] - [ -0.0005942000000000, -0.0000033700000000, 0.0000175200000000 ] - [ -0.0002415500000000, 0.0001071800000000, -0.0000327900000000 ] - [ -0.0002157200000000, 0.0004752700000000, -0.0001008100000000 ] - [ 0.0003419600000000, -0.0004756400000000, 0.0000062200000000 ] - [ -0.0071208700000000, 0.0019748000000000, 0.0059651400000000 ] - [ 0.0003162000000000, -0.0001930100000000, 0.0001170300000000 ] - [ -0.0001119200000000, 0.0005805900000000, 0.0003024400000000 ] - [ 0.0007217300000000, -0.0003432600000000, -0.0004465100000000 ] - [ -0.0001874100000000, 0.0001348400000000, -0.0000274100000000 ] - [ -0.0004158700000000, 0.0002356100000000, -0.0000411300000000 ] - [ 0.0000252200000000, 0.0001356600000000, -0.0002711100000000 ] - [ 0.0000520700000000, 0.0000808300000000, -0.0000626300000000 ] - [ -0.0410078600000000, -0.0377834200000000, 0.1088662900000000 ] - [ 0.0002927200000000, 0.0002269600000000, -0.0001011000000000 ] - [ 0.0005845200000000, 0.0002874600000000, 0.0001257000000000 ] - [ -0.0006686800000000, -0.0002537400000000, 0.0004639900000000 ] - [ 0.0001035800000000, 0.0002143800000000, 0.0000931000000000 ] - [ -0.0000372100000000, 0.0004551600000000, -0.0003925700000000 ] - [ 0.0002486700000000, -0.0001830700000000, -0.0000629200000000 ] - [ -0.0008739600000000, -0.0002359400000000, -0.0004083500000000 ] - [ -0.0000134900000000, -0.0003461500000000, -0.0001215300000000 ] - [ 0.0021113700000000, -0.0020994300000000, 0.0038957600000000 ] - [ 0.0001836000000000, 0.0002978900000000, 0.0001155400000000 ] - [ 0.0000910400000000, -0.0003486500000000, -0.0000671900000000 ] - [ -0.0010115700000000, -0.0005575500000000, 0.0009208200000000 ] - [ -0.0003089100000000, -0.0002646400000000, -0.0000161800000000 ] - [ 0.0001370500000000, 0.0000152600000000, -0.0046721900000000 ] - [ 0.0000433600000000, 0.0009009200000000, -0.0003820300000000 ] - [ -0.0002498100000000, -0.0001582600000000, -0.0000233100000000 ] - [ -0.0002715200000000, -0.0003385200000000, 0.0000828400000000 ] - [ -0.0002094600000000, -0.0000019800000000, -0.0001477800000000 ] - [ 0.0003222100000000, 0.0000516900000000, -0.0002052600000000 ] - [ 0.0001327000000000, 0.0001511100000000, 0.0000668400000000 ] - [ 0.0000487100000000, -0.0004747800000000, 0.0000438100000000 ] - [ 0.0002416800000000, -0.0000168800000000, -0.0000224700000000 ] - [ -0.0003487900000000, 0.0001789600000000, 0.0001237000000000 ] - [ -0.0004379400000000, 0.0002945300000000, 0.0002844300000000 ] - [ -0.0002378600000000, -0.0002708700000000, 0.0002239200000000 ] - [ -0.0000387400000000, 0.0001199600000000, -0.0000157300000000 ] - [ 0.0003770600000000, 0.0001925800000000, 0.0001353300000000 ] - [ 0.0000371600000000, -0.0000691500000000, 0.0008275300000000 ] - [ 0.0000710000000000, -0.0001756300000000, -0.0002777900000000 ] - [ 0.0001935700000000, 0.0000108900000000, -0.0003373900000000 ] - [ -0.0000267300000000, 0.0001776200000000, -0.0001399900000000 ] - [ 0.0011873900000000, 0.0005525400000000, -0.0001829100000000 ] - [ 0.0000259400000000, -0.0001029300000000, 0.0007589000000000 ] - [ 0.0003737700000000, -0.0001111900000000, 0.0000643600000000 ] - [ 0.0005386600000000, 0.0015139000000000, -0.0021999000000000 ] - [ -0.0000954500000000, 0.0000764500000000, -0.0003256900000000 ] - [ -0.0005157500000000, 0.0002979100000000, 0.0003148700000000 ] - [ 0.0004040200000000, 0.0003551000000000, 0.0000408900000000 ] - [ 0.0001741700000000, -0.0001597800000000, -0.0003244900000000 ] - [ 0.0002537300000000, -0.0000835600000000, -0.0000759700000000 ] - [ 0.0000461000000000, 0.0001157100000000, 0.0008296800000000 ] - [ -0.0000288500000000, 0.0000388100000000, -0.0000249400000000 ] - [ 0.0029846600000000, 0.0026279900000000, 0.0075809600000000 ] - [ -0.0094547400000000, 0.0022831100000000, -0.0128422400000000 ] - [ -0.0002179600000000, 0.0000155500000000, -0.0002441500000000 ] - [ 0.0001908200000000, -0.0000914000000000, 0.0000507800000000 ] - [ -0.0002988300000000, 0.0003161400000000, 0.0016150100000000 ] - [ -0.0002076400000000, 0.0002955000000000, -0.0000272500000000 ] - [ 0.0000076600000000, 0.0002773100000000, -0.0001962600000000 ] - [ 0.0000063300000000, 0.0000038300000000, -0.0000144200000000 ] - [ -0.0001314200000000, 0.0000938300000000, -0.0000585800000000 ] - [ -0.0000959000000000, 0.0001276300000000, -0.0001512800000000 ] - [ 0.0189840400000000, 0.0004649400000000, -0.0209474500000000 ] - [ 0.0001082400000000, 0.0000192500000000, 0.0009185800000000 ] - [ 0.0000739500000000, 0.0004427400000000, 0.0001208900000000 ] - [ 0.0002074200000000, 0.0001478500000000, -0.0001334000000000 ] - [ -0.0001428000000000, 0.0002187500000000, 0.0000679000000000 ] - [ 0.0002278400000000, -0.0000335700000000, -0.0000999200000000 ] - [ 0.0024849900000000, 0.0010660600000000, 0.0040559100000000 ] - [ -0.0007566000000000, -0.0014392200000000, -0.0039024100000000 ] - [ 0.0001508900000000, -0.0000659100000000, -0.0003827700000000 ] - [ 0.0008071200000000, 0.0005844000000000, 0.0008110800000000 ] - [ -0.0000532400000000, 0.0001059900000000, -0.0000086500000000 ] - [ 0.0000554400000000, 0.0004347000000000, -0.0000584300000000 ] - [ -0.0004665200000000, 0.0002063400000000, 0.0002722300000000 ] - [ 0.0005557100000000, -0.0002399300000000, 0.0000293400000000 ] - [ -0.0003580100000000, 0.0003728700000000, -0.0007632800000000 ] - [ 0.0004192300000000, -0.0000685700000000, -0.0000254200000000 ] - [ -0.0000176600000000, 0.0000357700000000, -0.0002408800000000 ] - [ 0.0000307600000000, -0.0003307100000000, 0.0001125800000000 ] - [ -0.0001092300000000, 0.0004782000000000, -0.0001125100000000 ] - [ -0.0002738400000000, 0.0000054200000000, 0.0002195300000000 ] - [ -0.0000912900000000, -0.0009592300000000, -0.0003016800000000 ] - [ 0.0006782200000000, -0.0004532600000000, -0.0003776500000000 ] - [ 0.0001184100000000, 0.0003661300000000, 0.0001337700000000 ] - [ -0.0003198300000000, 0.0000185100000000, 0.0001239000000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0003298600000000, 0.0002400600000000, 0.0000751000000000 ] - [ 0.0006886400000000, -0.0011574500000000, -0.0007327800000000 ] - [ -0.0008291400000000, 0.0000286400000000, 0.0004604400000000 ] - [ 0.0000284300000000, 0.0001087900000000, 0.0002356000000000 ] - [ -0.0011244200000000, 0.0018356700000000, 0.0027367400000000 ] - [ 0.0043271400000000, -0.0003280500000000, 0.0024393300000000 ] - [ 0.0002440600000000, 0.0001655400000000, 0.0000797300000000 ] - [ -0.0003027500000000, 0.0001495500000000, 0.0001261200000000 ] - [ -0.0008499200000000, -0.0000407300000000, -0.0001001100000000 ] - [ -0.0001147400000000, 0.0014532300000000, -0.0008471500000000 ] - [ -0.0000406600000000, -0.0003157800000000, 0.0000296500000000 ] - [ -0.0007479600000000, -0.0000716700000000, 0.0001942600000000 ] - [ 0.0005706300000000, -0.0012210700000000, 0.0010362100000000 ] - [ 0.0000671100000000, -0.0011437200000000, 0.0007948000000000 ] - [ -0.0002461300000000, -0.0003480900000000, 0.0001983600000000 ] - [ -0.0002626800000000, -0.0002937900000000, 0.0001769900000000 ] - [ -0.0003607300000000, 0.0002850300000000, 0.0001839600000000 ] - [ 0.0000096000000000, -0.0008761700000000, -0.0002097300000000 ] - [ -0.0001494700000000, -0.0001191700000000, 0.0000240600000000 ] - [ -0.0002821400000000, 0.0002844300000000, 0.0000827600000000 ] - [ -0.0006367800000000, -0.0001200300000000, -0.0001646500000000 ] - [ 0.0002318600000000, 0.0000823000000000, 0.0000190100000000 ] - [ -0.0001310700000000, 0.0018116900000000, 0.0025415700000000 ] - [ -0.0000472800000000, 0.0002834500000000, -0.0000092100000000 ] - [ -0.0017511800000000, -0.0003546500000000, -0.0003190400000000 ] - [ -0.0010059400000000, 0.0002301100000000, -0.0000125800000000 ] - [ 0.0038635400000000, 0.0000099600000000, 0.0006823500000000 ] - [ -0.0010785500000000, -0.0015365500000000, 0.0005344100000000 ] - [ 0.0787524100000000, 0.0548530200000000, 0.0275082000000000 ] - [ 0.0002663700000000, 0.0009827700000000, -0.0003165400000000 ] - [ -0.0002344100000000, -0.0005446100000000, -0.0000108900000000 ] - [ -0.0001765200000000, -0.0010803900000000, 0.0004535500000000 ] - [ -0.0011060700000000, 0.0008837100000000, -0.0001168600000000 ] - [ -0.0021672600000000, 0.0023012200000000, -0.0001078600000000 ] - [ -0.0007772800000000, -0.0002546800000000, 0.0003435200000000 ] - [ -0.0002478700000000, 0.0005654300000000, -0.0000339800000000 ] - [ 0.0001329000000000, 0.0007796400000000, 0.0006187200000000 ] - [ -0.0006623900000000, -0.0010862300000000, -0.0002833500000000 ] - [ -0.0011744900000000, -0.0000914000000000, 0.0004552800000000 ] - [ 0.0005804600000000, 0.0014278500000000, 0.0001345700000000 ] - [ 0.0001808900000000, -0.0005558700000000, 0.0000468800000000 ] - [ 0.0009840200000000, -0.0007578400000000, -0.0006845900000000 ] - [ -0.0002395200000000, -0.0001233800000000, 0.0003934000000000 ] - [ -0.0088595000000000, 0.0004235800000000, -0.0043570600000000 ] - [ -0.0010598300000000, 0.0001738700000000, -0.0000633000000000 ] - [ 0.0000484300000000, 0.0012561800000000, -0.0003167800000000 ] - [ -0.0010179900000000, -0.0006449200000000, -0.0013129900000000 ] - [ 0.0002831900000000, -0.0006647000000000, -0.0002506400000000 ] - [ 0.0002158700000000, 0.0009286800000000, -0.0004595700000000 ] - [ -0.0005428500000000, 0.0000150700000000, 0.0001385900000000 ] - [ -0.0002717300000000, 0.0009904900000000, -0.0005751600000000 ] - [ 0.0006851700000000, -0.0012814600000000, 0.0003935200000000 ] - [ 0.0003952300000000, -0.0014661100000000, 0.0001346200000000 ] - [ -0.0019493400000000, -0.0031363800000000, 0.0009678600000000 ] - [ -0.0100066600000000, -0.0008143300000000, -0.0039921200000000 ] - [ 0.0002480100000000, -0.0004394100000000, -0.0005935900000000 ] - [ -0.0012892700000000, 0.0003117500000000, -0.0004925500000000 ] - [ 0.0016122000000000, 0.0004640300000000, 0.0007126000000000 ] - [ -0.0010048600000000, -0.0008699300000000, -0.0025459700000000 ] - [ -0.0019287800000000, -0.0007310300000000, 0.0003585500000000 ] - [ -0.0006756000000000, -0.0012530500000000, -0.0005000600000000 ] - [ -0.0004986000000000, -0.0004797400000000, -0.0005715100000000 ] - [ 0.0029328800000000, 0.0004747800000000, -0.0055927700000000 ] - [ 0.0054198100000000, -0.0021485200000000, -0.0018240100000000 ] - [ -0.0013662200000000, -0.0001975400000000, -0.0007195700000000 ] - [ 0.0447971200000000, 0.0249630000000000, -0.0063023100000000 ] - [ -0.0017122700000000, 0.0010132200000000, -0.0002490100000000 ] - [ 0.0000800000000000, 0.0013316000000000, 0.0003844300000000 ] - [ -0.0028742300000000, 0.0033802500000000, -0.0014827700000000 ] - [ -0.0006093100000000, -0.0008871200000000, -0.0003589700000000 ] - [ -0.0002271500000000, 0.0016154200000000, -0.0001801700000000 ] - [ 0.0008497600000000, -0.0001732700000000, 0.0001332200000000 ] - [ -0.0087732000000000, -0.0005143300000000, 0.0003648600000000 ] - [ 0.0004516000000000, 0.0012988000000000, 0.0000569600000000 ] - [ 0.0007575600000000, 0.0002027000000000, 0.0001765000000000 ] - [ -0.0000958900000000, 0.0013272700000000, 0.0000971200000000 ] - [ 0.0002797800000000, 0.0015480800000000, 0.0001236100000000 ] - [ 0.0001057000000000, -0.0003897600000000, -0.0002389400000000 ] - [ 0.0009685600000000, -0.0004053700000000, -0.0001172400000000 ] - [ 0.0005575800000000, -0.0001975900000000, -0.0002053300000000 ] - [ -0.0001883600000000, -0.0000568300000000, -0.0000485200000000 ] - [ 0.0004281100000000, 0.0008950000000000, -0.0004900500000000 ] - [ 0.0010879900000000, -0.0007499100000000, 0.0002146700000000 ] - [ -0.0008430000000000, 0.0007350700000000, -0.0004344700000000 ] - [ -0.0001354200000000, -0.0006955200000000, -0.0004808200000000 ] - [ 0.0009110100000000, 0.0007579200000000, 0.0000387300000000 ] - [ 0.0006104100000000, -0.0000113000000000, 0.0000216300000000 ] - [ -0.0012183300000000, 0.0034890200000000, 0.0099557500000000 ] - [ 0.0004149500000000, -0.0000626300000000, -0.0001455400000000 ] - [ 0.0017792900000000, 0.0000723300000000, 0.0024748800000000 ] - [ -0.0010182000000000, -0.0002881400000000, 0.0003444300000000 ] - [ 0.0001397800000000, 0.0001429400000000, 0.0000182800000000 ] - [ -0.1322977500000000, -0.1077183900000000, -0.0310821200000000 ] - [ -0.0001110300000000, 0.0005374200000000, 0.0000331300000000 ] - [ -0.0011300100000000, 0.0007037700000000, 0.0014655700000000 ] - [ 0.0004770600000000, 0.0009018300000000, 0.0005552700000000 ] - [ -0.0025807100000000, -0.0014160400000000, -0.0002837700000000 ] - [ -0.0005388400000000, -0.0007014800000000, -0.0000545000000000 ] - [ 0.0005682400000000, -0.0000046800000000, -0.0002146000000000 ] - [ -0.0002183400000000, -0.0001619500000000, -0.0000111100000000 ] - [ 0.0000274900000000, 0.0011305900000000, -0.0000195000000000 ] - [ 0.0003524400000000, -0.0002581000000000, 0.0001680300000000 ] - [ -0.0002389100000000, -0.0001097300000000, 0.0001277300000000 ] - [ -0.0002439000000000, 0.0004583400000000, 0.0002254600000000 ] - [ -0.0001327200000000, -0.0008287700000000, -0.0001114900000000 ] - [ 0.0003839100000000, 0.0003191600000000, 0.0000312500000000 ] - [ 0.0009503900000000, 0.0009472400000000, -0.0004132900000000 ] - [ 0.0007197200000000, -0.0004817300000000, -0.0000944100000000 ] - [ -0.0004544500000000, -0.0000942600000000, -0.0000053300000000 ] - [ 0.0005037500000000, -0.0000060600000000, -0.0000464200000000 ] - [ 0.0001535400000000, -0.0003773000000000, -0.0001087400000000 ] - [ 0.0002551300000000, -0.0002348400000000, 0.0000039000000000 ] - [ -0.0002945900000000, -0.0010053700000000, 0.0000639300000000 ] - [ 0.0006724500000000, 0.0002367000000000, 0.0000307900000000 ] - [ -0.0000447000000000, -0.0010101700000000, 0.0000559900000000 ] - [ -0.0026793800000000, 0.0005094900000000, 0.0017766500000000 ] - [ 0.0005263500000000, -0.0006587200000000, 0.0000953300000000 ] - [ -0.0012428100000000, 0.0002628900000000, -0.0001909300000000 ] - [ 0.0009694800000000, 0.0012827800000000, 0.0003820700000000 ] - [ 0.0006681500000000, -0.0005566200000000, 0.0005280800000000 ] - [ -0.0000989800000000, 0.0003689200000000, -0.0001670600000000 ] - [ 0.0028005900000000, 0.0031015200000000, 0.0002650000000000 ] - [ -0.0062535800000000, -0.0106696200000000, -0.0011232500000000 ] - [ -0.0003551900000000, -0.0000093600000000, -0.0000026000000000 ] - [ -0.0000077800000000, -0.0003752300000000, 0.0008142400000000 ] - [ -0.0016676200000000, -0.0017643700000000, 0.0004520400000000 ] - [ -0.0011829500000000, 0.0004514400000000, -0.0000412900000000 ] - [ -0.0040947300000000, 0.0063573600000000, 0.0007627700000000 ] - [ -0.0003931400000000, 0.0004882600000000, 0.0008117700000000 ] - [ 0.0045114900000000, -0.0017881100000000, 0.0004413000000000 ] - [ 0.0005970100000000, -0.0000258200000000, -0.0001844100000000 ] - [ 0.0002086300000000, -0.0001937300000000, -0.0002377400000000 ] - [ 0.0007130500000000, -0.0000326400000000, 0.0008834500000000 ] - [ 0.0115063100000000, 0.0229494500000000, -0.0023850500000000 ] - [ -0.0002909300000000, 0.0005462100000000, -0.0000135400000000 ] - [ 0.0001613000000000, 0.0003970100000000, -0.0001393900000000 ] - [ 0.0005318800000000, -0.0001042800000000, -0.0001825600000000 ] - [ 0.0001934000000000, -0.0007807800000000, 0.0001917500000000 ] - [ 0.0004507500000000, 0.0006119000000000, 0.0003333100000000 ] - [ 0.0196454500000000, 0.0063929900000000, 0.0027778600000000 ] - [ -0.0002132000000000, -0.0008900000000000, -0.0000289000000000 ] - [ 0.0014380900000000, -0.0002964300000000, 0.0002532100000000 ] - [ 0.0007221100000000, -0.0007174000000000, 0.0007262200000000 ] - [ -0.0017372400000000, 0.0003772100000000, -0.0000263000000000 ] - [ -0.0000846100000000, 0.0001291400000000, -0.0002745400000000 ] - [ 0.0007212800000000, 0.0001180200000000, 0.0000958400000000 ] - [ 0.0014815500000000, 0.0007264500000000, 0.0035551800000000 ] - [ -0.0004067700000000, -0.0000287500000000, -0.0003516000000000 ] - [ -0.0001508500000000, -0.0011398300000000, -0.0001922200000000 ] - [ 0.0002501200000000, 0.0000326200000000, -0.0000565900000000 ] - [ -0.0000557500000000, 0.0007812400000000, -0.0000109200000000 ] - [ -0.0000568100000000, 0.0001485100000000, -0.0000899900000000 ] - [ 0.0006994500000000, 0.0005123800000000, -0.0000073200000000 ] - [ 0.0000494900000000, 0.0006938700000000, -0.0003598400000000 ] - [ 0.0008256100000000, -0.0003324300000000, -0.0000816700000000 ] - [ 0.0008277800000000, -0.0000928400000000, 0.0003986300000000 ] - [ 0.0000654200000000, -0.0000895000000000, -0.0000231800000000 ] - [ 0.0010109700000000, 0.0001897600000000, -0.0003375200000000 ] - [ 0.0010142200000000, 0.0008736100000000, -0.0000506400000000 ] - [ 0.0014553500000000, -0.0003456800000000, 0.0000007500000000 ] - [ 0.0026915500000000, 0.0015849900000000, -0.0001047700000000 ] - [ 0.0020135500000000, -0.0009336500000000, 0.0001511300000000 ] - [ -0.0002597800000000, -0.0001767000000000, -0.0001377900000000 ] - [ 0.0000547300000000, 0.0001372600000000, 0.0008109100000000 ] - [ -0.0001334700000000, -0.0012173200000000, -0.0004311000000000 ] - [ 0.0040828200000000, -0.0018733600000000, -0.0007257500000000 ] - [ 0.0001214500000000, 0.0002628100000000, 0.0001309700000000 ] - [ -0.0001662100000000, -0.0016140000000000, 0.0001388900000000 ]- atom: 93 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0002813400000000, -0.0002085600000000, 0.0001519000000000 ] - [ -0.0006816400000000, 0.0011590700000000, 0.0008569500000000 ] - [ 0.0009412200000000, 0.0001171800000000, -0.0000005100000000 ] - [ -0.0001429100000000, -0.0002528400000000, 0.0002236500000000 ] - [ 0.0008165100000000, -0.0020607000000000, -0.0027152200000000 ] - [ -0.0041189600000000, 0.0002469000000000, -0.0018897700000000 ] - [ -0.0002450000000000, -0.0001634600000000, 0.0000272800000000 ] - [ 0.0003484000000000, -0.0001837100000000, 0.0001007900000000 ] - [ 0.0008524100000000, 0.0000396700000000, 0.0002088900000000 ] - [ 0.0001751100000000, -0.0016372700000000, 0.0013143500000000 ] - [ 0.0003339800000000, 0.0005220600000000, 0.0000043200000000 ] - [ 0.0007509600000000, 0.0000725500000000, -0.0001423200000000 ] - [ -0.0005603300000000, 0.0012279200000000, -0.0009126500000000 ] - [ -0.0001204700000000, 0.0011271400000000, -0.0005730300000000 ] - [ 0.0000624300000000, 0.0003731300000000, 0.0002617300000000 ] - [ 0.0001900700000000, 0.0004628800000000, 0.0002828300000000 ] - [ 0.0003549300000000, -0.0003398000000000, 0.0000426600000000 ] - [ 0.0000392900000000, 0.0009024500000000, 0.0004386100000000 ] - [ 0.0001176900000000, 0.0004798000000000, 0.0000102200000000 ] - [ 0.0002863900000000, -0.0002265600000000, 0.0001430300000000 ] - [ 0.0009635300000000, -0.0000339900000000, 0.0001993300000000 ] - [ -0.0002341800000000, -0.0000821900000000, 0.0000345200000000 ] - [ 0.0001808100000000, -0.0021770900000000, -0.0025103700000000 ] - [ -0.0002824300000000, -0.0001275400000000, 0.0000439500000000 ] - [ 0.0016143600000000, -0.0009237100000000, -0.0001819600000000 ] - [ 0.0007420800000000, 0.0001299300000000, -0.0000328800000000 ] - [ -0.0025400200000000, -0.0011386300000000, -0.0008611200000000 ] - [ 0.0022571600000000, 0.0020807300000000, -0.0010393600000000 ] - [ -0.0810726700000000, -0.0580956900000000, -0.0282423700000000 ] - [ -0.0005898300000000, -0.0025888800000000, 0.0002147200000000 ] - [ -0.0013618100000000, -0.0000168200000000, -0.0000941000000000 ] - [ 0.0001945800000000, 0.0010404700000000, 0.0003482100000000 ] - [ 0.0010568300000000, -0.0008756900000000, 0.0009184500000000 ] - [ 0.0011208500000000, -0.0015634700000000, -0.0003917900000000 ] - [ 0.0010889300000000, 0.0019177200000000, -0.0004511400000000 ] - [ -0.0001880600000000, -0.0006255400000000, -0.0000076700000000 ] - [ -0.0001238300000000, -0.0007399400000000, 0.0001811400000000 ] - [ -0.0006339700000000, 0.0021858700000000, 0.0001741300000000 ] - [ 0.0011546900000000, 0.0000475700000000, 0.0003439600000000 ] - [ -0.0003160600000000, -0.0017785700000000, -0.0001816700000000 ] - [ -0.0000044300000000, 0.0009750400000000, -0.0000834400000000 ] - [ -0.0021543700000000, 0.0002258300000000, 0.0001866500000000 ] - [ 0.0002882300000000, 0.0001189800000000, 0.0004098300000000 ] - [ 0.0104552100000000, 0.0001125300000000, 0.0042532300000000 ] - [ 0.0014935700000000, -0.0001132100000000, 0.0000222600000000 ] - [ 0.0000856600000000, 0.0000263700000000, -0.0001837900000000 ] - [ 0.0008349400000000, 0.0002299500000000, 0.0012875100000000 ] - [ 0.0007638400000000, -0.0000907700000000, -0.0002470500000000 ] - [ 0.0000332400000000, -0.0019727300000000, -0.0006741700000000 ] - [ 0.0022116800000000, 0.0003686400000000, 0.0005366600000000 ] - [ 0.0000506700000000, -0.0003561400000000, -0.0006988800000000 ] - [ 0.0004846800000000, 0.0000409400000000, 0.0002754700000000 ] - [ 0.0002721300000000, 0.0009126200000000, 0.0002254200000000 ] - [ 0.0017907900000000, 0.0023059100000000, -0.0006169200000000 ] - [ 0.0088965700000000, 0.0020628100000000, 0.0046999600000000 ] - [ 0.0004661000000000, 0.0003219800000000, -0.0006727400000000 ] - [ 0.0010198600000000, 0.0007206600000000, -0.0006428900000000 ] - [ -0.0014676800000000, 0.0003760100000000, -0.0003549900000000 ] - [ 0.0002403200000000, 0.0005783800000000, 0.0028856600000000 ] - [ 0.0014314100000000, -0.0008994200000000, 0.0003131100000000 ] - [ -0.0003806700000000, 0.0015400500000000, -0.0006385000000000 ] - [ -0.0002462800000000, -0.0002842300000000, -0.0005644100000000 ] - [ -0.0018837000000000, -0.0007755800000000, 0.0044427400000000 ] - [ -0.0058324200000000, 0.0015787500000000, 0.0005536200000000 ] - [ 0.0015851400000000, -0.0004328600000000, -0.0005556600000000 ] - [ -0.0458333200000000, -0.0251590500000000, 0.0069300300000000 ] - [ 0.0009947300000000, -0.0009045200000000, -0.0010196600000000 ] - [ 0.0004154100000000, 0.0002992500000000, 0.0002870300000000 ] - [ 0.0036086600000000, -0.0026024200000000, 0.0003415800000000 ] - [ 0.0010280400000000, 0.0014628000000000, -0.0009150500000000 ] - [ -0.0014392500000000, -0.0019898100000000, 0.0008532000000000 ] - [ -0.0000665600000000, 0.0004794600000000, 0.0002148600000000 ] - [ 0.0093850800000000, 0.0007211000000000, -0.0000572300000000 ] - [ 0.0002750000000000, -0.0009537900000000, 0.0002060600000000 ] - [ 0.0001036200000000, 0.0000510100000000, 0.0000885800000000 ] - [ -0.0006911700000000, -0.0008719200000000, -0.0000178600000000 ] - [ -0.0001144700000000, -0.0017015000000000, -0.0001665800000000 ] - [ 0.0000844300000000, 0.0006745400000000, 0.0001178200000000 ] - [ -0.0009068100000000, 0.0009011600000000, -0.0002202200000000 ] - [ -0.0016528100000000, 0.0001618000000000, 0.0002035600000000 ] - [ -0.0005217200000000, 0.0003054600000000, -0.0000034800000000 ] - [ -0.0009959600000000, -0.0005081100000000, 0.0006659700000000 ] - [ -0.0004724300000000, -0.0002298500000000, -0.0001940400000000 ] - [ -0.0005537900000000, 0.0001602900000000, -0.0002791700000000 ] - [ 0.0007059800000000, 0.0002962300000000, 0.0006471600000000 ] - [ -0.0009236200000000, 0.0001532900000000, 0.0000402000000000 ] - [ 0.0004848300000000, 0.0000489900000000, -0.0000228500000000 ] - [ 0.0011052400000000, -0.0031917400000000, -0.0100977600000000 ] - [ -0.0006004100000000, -0.0002189100000000, 0.0000252500000000 ] - [ -0.0016998800000000, 0.0002997500000000, -0.0029329700000000 ] - [ 0.0010598200000000, 0.0004855300000000, -0.0003825200000000 ] - [ 0.0000803200000000, -0.0006403600000000, 0.0000691600000000 ] - [ 0.1356011800000000, 0.1121045300000000, 0.0321158600000000 ] - [ 0.0003263300000000, -0.0004784200000000, -0.0000758700000000 ] - [ 0.0012850000000000, -0.0006764600000000, 0.0001498700000000 ] - [ -0.0005332700000000, -0.0011220500000000, -0.0005946800000000 ] - [ 0.0021955600000000, 0.0017085500000000, -0.0000474300000000 ] - [ 0.0009767500000000, 0.0003233100000000, -0.0000790800000000 ] - [ -0.0020461000000000, -0.0007566600000000, -0.0004974100000000 ] - [ 0.0001062800000000, -0.0003997300000000, -0.0001285600000000 ] - [ -0.0001442600000000, -0.0004175000000000, -0.0000221200000000 ] - [ -0.0001339200000000, 0.0011314400000000, 0.0000993900000000 ] - [ 0.0001852800000000, -0.0005776300000000, 0.0000497200000000 ] - [ -0.0003748300000000, -0.0007558900000000, -0.0000461400000000 ] - [ -0.0004286900000000, 0.0003481100000000, 0.0000626900000000 ] - [ 0.0002692800000000, -0.0009392700000000, 0.0002323100000000 ] - [ -0.0008707600000000, 0.0007085500000000, -0.0003013000000000 ] - [ -0.0010324700000000, 0.0000342300000000, 0.0001791200000000 ] - [ -0.0003436800000000, -0.0003582100000000, 0.0000885600000000 ] - [ -0.0009605200000000, -0.0001871400000000, -0.0002894500000000 ] - [ 0.0003029000000000, 0.0005681200000000, -0.0002275300000000 ] - [ 0.0000589700000000, 0.0006826300000000, 0.0000805400000000 ] - [ 0.0003271600000000, 0.0000859600000000, 0.0000154800000000 ] - [ -0.0001301100000000, -0.0002923100000000, 0.0000558400000000 ] - [ -0.0006163600000000, 0.0014623800000000, 0.0002022500000000 ] - [ 0.0019508200000000, -0.0008565800000000, -0.0015138100000000 ] - [ -0.0007407000000000, -0.0002114100000000, 0.0001713000000000 ] - [ 0.0010753700000000, -0.0001201500000000, 0.0001665600000000 ] - [ -0.0004361400000000, -0.0003057600000000, -0.0003834600000000 ] - [ -0.0005594600000000, 0.0004342300000000, 0.0010987700000000 ] - [ 0.0004364400000000, -0.0004371700000000, -0.0001005200000000 ] - [ -0.0028919700000000, -0.0032415400000000, -0.0002553500000000 ] - [ 0.0062292800000000, 0.0108564300000000, 0.0008399300000000 ] - [ 0.0018253000000000, 0.0007658700000000, -0.0007092700000000 ] - [ -0.0000469400000000, 0.0002230900000000, 0.0008007800000000 ] - [ 0.0024628400000000, 0.0013262700000000, -0.0003651500000000 ] - [ 0.0006479400000000, -0.0014365400000000, 0.0000434200000000 ] - [ 0.0042367900000000, -0.0071019200000000, -0.0008072900000000 ] - [ -0.0002509400000000, 0.0001309700000000, -0.0005432300000000 ] - [ -0.0036962400000000, 0.0022410100000000, -0.0003577300000000 ] - [ -0.0003204100000000, -0.0002395400000000, -0.0002483300000000 ] - [ 0.0001568900000000, 0.0003015700000000, -0.0001904700000000 ] - [ -0.0006591000000000, 0.0001822400000000, 0.0007320100000000 ] - [ -0.0116255200000000, -0.0227266000000000, 0.0023022500000000 ] - [ 0.0003590600000000, -0.0004362800000000, 0.0000294000000000 ] - [ -0.0000052300000000, -0.0007019500000000, 0.0000201200000000 ] - [ -0.0008974700000000, -0.0000035100000000, -0.0002459600000000 ] - [ -0.0001184800000000, 0.0006531300000000, -0.0001750400000000 ] - [ -0.0006084800000000, -0.0006436700000000, 0.0012890900000000 ] - [ -0.0201776600000000, -0.0060063100000000, -0.0027050700000000 ] - [ -0.0000654900000000, 0.0011512700000000, -0.0004022400000000 ] - [ -0.0013085100000000, 0.0002972000000000, -0.0002385600000000 ] - [ -0.0010607800000000, 0.0007316400000000, -0.0008439000000000 ] - [ 0.0013723300000000, -0.0003056300000000, -0.0002286800000000 ] - [ -0.0000057700000000, -0.0004992800000000, -0.0001559000000000 ] - [ -0.0000538100000000, -0.0005575700000000, 0.0001626700000000 ] - [ -0.0014337400000000, -0.0000376400000000, -0.0033706200000000 ] - [ 0.0006176300000000, 0.0002728100000000, 0.0000784600000000 ] - [ -0.0003934500000000, 0.0011884300000000, 0.0002765700000000 ] - [ 0.0000884800000000, -0.0000505000000000, -0.0000653400000000 ] - [ -0.0004815100000000, -0.0009630600000000, -0.0001235400000000 ] - [ -0.0000057100000000, -0.0006408700000000, -0.0002466000000000 ] - [ -0.0001337800000000, -0.0000243400000000, -0.0000425700000000 ] - [ 0.0000427000000000, -0.0009876200000000, 0.0000758200000000 ] - [ -0.0009009900000000, 0.0004559300000000, 0.0000976900000000 ] - [ -0.0007202300000000, 0.0006514200000000, -0.0005384300000000 ] - [ -0.0001960300000000, 0.0000921900000000, 0.0000386800000000 ] - [ -0.0006292500000000, -0.0004887900000000, 0.0000076700000000 ] - [ -0.0014429900000000, -0.0004945100000000, -0.0000830600000000 ] - [ -0.0007451900000000, 0.0000963500000000, -0.0000529200000000 ] - [ -0.0029051400000000, -0.0018346800000000, -0.0001658800000000 ] - [ -0.0020411700000000, 0.0001290200000000, 0.0001084900000000 ] - [ -0.0003565200000000, 0.0011520400000000, 0.0001583400000000 ] - [ -0.0001639600000000, -0.0000099600000000, 0.0008131500000000 ] - [ 0.0000512600000000, -0.0004399100000000, -0.0002828200000000 ] - [ -0.0027157800000000, 0.0009898100000000, 0.0000158100000000 ] - [ -0.0000895300000000, 0.0005384300000000, 0.0001289400000000 ] - [ -0.0006946200000000, 0.0013538600000000, 0.0001263400000000 ]- atom: 93 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0003751600000000, -0.0001411700000000, 0.0001746100000000 ] - [ -0.0014401500000000, -0.0005703500000000, -0.0007174000000000 ] - [ 0.0001127500000000, 0.0005143700000000, 0.0001737900000000 ] - [ 0.0004183500000000, -0.0009347300000000, 0.0001026600000000 ] - [ 0.0018299100000000, 0.0017616800000000, -0.0021571000000000 ] - [ -0.0017404200000000, 0.0038273200000000, -0.0017236000000000 ] - [ 0.0003521100000000, -0.0008182900000000, 0.0002533200000000 ] - [ 0.0003423700000000, -0.0001767400000000, 0.0000944200000000 ] - [ 0.0000220800000000, 0.0001725900000000, 0.0000682300000000 ] - [ 0.0020468200000000, 0.0006944400000000, 0.0013389900000000 ] - [ -0.0001803300000000, -0.0003100000000000, -0.0000050400000000 ] - [ 0.0000685600000000, 0.0002207000000000, 0.0000223400000000 ] - [ -0.0013080400000000, -0.0009366200000000, 0.0007160100000000 ] - [ -0.0015370300000000, -0.0003131500000000, 0.0009357500000000 ] - [ -0.0003810800000000, -0.0004116900000000, 0.0002323100000000 ] - [ -0.0003359200000000, -0.0002686000000000, 0.0002090400000000 ] - [ 0.0004948700000000, -0.0002015800000000, 0.0000663500000000 ] - [ -0.0011476200000000, -0.0002879000000000, -0.0002931700000000 ] - [ -0.0002016500000000, -0.0002565100000000, -0.0000343700000000 ] - [ 0.0004467800000000, -0.0002018000000000, 0.0001415200000000 ] - [ 0.0001255900000000, 0.0002265400000000, -0.0000046500000000 ] - [ 0.0004236900000000, -0.0009194300000000, -0.0001651800000000 ] - [ 0.0021380100000000, 0.0009832500000000, -0.0027662700000000 ] - [ 0.0003632800000000, -0.0007154800000000, 0.0001910600000000 ] - [ 0.0006720100000000, -0.0005361800000000, -0.0002415700000000 ] - [ -0.0002479500000000, -0.0001137500000000, 0.0000340900000000 ] - [ -0.0014728200000000, 0.0051228500000000, 0.0071636200000000 ] - [ 0.0000686200000000, 0.0003379800000000, -0.0004178000000000 ] - [ 0.0091746300000000, 0.0386194100000000, 0.0087277000000000 ] - [ 0.0030558500000000, -0.0109984600000000, -0.0008529700000000 ] - [ -0.0014127800000000, -0.0017910800000000, 0.0003199200000000 ] - [ -0.0009790900000000, -0.0007434000000000, 0.0004766400000000 ] - [ 0.0011623400000000, 0.0014115500000000, 0.0006589900000000 ] - [ 0.0005276500000000, 0.0014807200000000, -0.0003221200000000 ] - [ -0.0005199400000000, 0.0008626800000000, 0.0002008000000000 ] - [ 0.0006701800000000, -0.0015412600000000, -0.0000139100000000 ] - [ 0.0017322500000000, -0.0005045200000000, -0.0000418900000000 ] - [ -0.0018892300000000, -0.0003733400000000, -0.0000746600000000 ] - [ -0.0004110600000000, -0.0001936400000000, 0.0004164900000000 ] - [ 0.0035926100000000, -0.0018284900000000, 0.0007539200000000 ] - [ -0.0013486300000000, -0.0022506800000000, 0.0001677200000000 ] - [ -0.0005224700000000, -0.0012581400000000, -0.0016904600000000 ] - [ 0.0006827400000000, -0.0013614700000000, 0.0004628400000000 ] - [ -0.0026616700000000, 0.0062074400000000, -0.0021433800000000 ] - [ 0.0006419500000000, 0.0002683600000000, 0.0000170900000000 ] - [ 0.0009667200000000, -0.0006790600000000, -0.0002010200000000 ] - [ -0.0014052900000000, 0.0012500100000000, 0.0000342500000000 ] - [ 0.0008789200000000, -0.0014265900000000, -0.0003564900000000 ] - [ 0.0037399400000000, -0.0006894800000000, -0.0010669000000000 ] - [ 0.0008366100000000, -0.0004031600000000, 0.0003459700000000 ] - [ 0.0013929400000000, -0.0013642200000000, -0.0009154800000000 ] - [ -0.0000616200000000, -0.0023157700000000, 0.0006771700000000 ] - [ -0.0009037200000000, -0.0012156900000000, 0.0000728100000000 ] - [ -0.0014397400000000, -0.0005651100000000, 0.0002445500000000 ] - [ -0.0005013100000000, 0.0016368800000000, 0.0011189300000000 ] - [ 0.0009137500000000, -0.0012502600000000, -0.0005978200000000 ] - [ -0.0003783700000000, 0.0001365400000000, -0.0005356600000000 ] - [ 0.0010689200000000, -0.0005922900000000, -0.0019894400000000 ] - [ -0.0015719400000000, 0.0014459400000000, 0.0007677100000000 ] - [ 0.0002605100000000, -0.0003479900000000, 0.0003162500000000 ] - [ -0.0021390500000000, -0.0008900500000000, -0.0004698200000000 ] - [ 0.0003188500000000, -0.0014500200000000, -0.0005145900000000 ] - [ -0.0003360500000000, 0.0042997000000000, -0.0043500700000000 ] - [ 0.0040068100000000, -0.0087068400000000, -0.0044177800000000 ] - [ 0.0008029100000000, 0.0000155500000000, -0.0006168100000000 ] - [ -0.0002139000000000, 0.1751161500000000, -0.0434740200000000 ] - [ 0.0002522300000000, 0.0009738100000000, -0.0007340200000000 ] - [ 0.0013037900000000, -0.0006355200000000, 0.0002311600000000 ] - [ 0.0021692600000000, 0.0011020700000000, -0.0002813600000000 ] - [ -0.0004949000000000, 0.0003894800000000, -0.0004904900000000 ] - [ 0.0009356100000000, -0.0012396000000000, 0.0013156800000000 ] - [ -0.0005684000000000, -0.0033800500000000, 0.0003321900000000 ] - [ 0.0042960500000000, 0.0060451300000000, -0.0178631500000000 ] - [ 0.0008769600000000, 0.0003400200000000, 0.0001602700000000 ] - [ 0.0003587300000000, 0.0006735000000000, 0.0000317800000000 ] - [ 0.0004496500000000, 0.0012114700000000, 0.0000341900000000 ] - [ 0.0009538400000000, 0.0002106700000000, 0.0000358700000000 ] - [ -0.0010242100000000, 0.0003412500000000, 0.0004577700000000 ] - [ -0.0000416600000000, -0.0007239900000000, 0.0001664000000000 ] - [ -0.0009897400000000, -0.0003118200000000, 0.0001468400000000 ] - [ -0.0012930900000000, 0.0007236800000000, -0.0000403500000000 ] - [ 0.0002856200000000, 0.0001131300000000, -0.0001225400000000 ] - [ 0.0001205100000000, -0.0004443500000000, -0.0000456900000000 ] - [ -0.0008871100000000, 0.0014226900000000, -0.0004887700000000 ] - [ -0.0005344900000000, 0.0021395000000000, 0.0027623500000000 ] - [ 0.0003453900000000, 0.0004659100000000, -0.0000342800000000 ] - [ -0.0000141900000000, 0.0007266600000000, -0.0000541900000000 ] - [ 0.0050499700000000, -0.0020385200000000, 0.0079024500000000 ] - [ 0.0000484400000000, -0.0000149200000000, -0.0000911000000000 ] - [ 0.0003629800000000, -0.0006381400000000, -0.0004329900000000 ] - [ 0.0015243300000000, 0.0046960700000000, -0.0009112400000000 ] - [ 0.0009053200000000, 0.0002646600000000, -0.0000518500000000 ] - [ -0.0290212700000000, -0.2651847400000000, 0.0464815500000000 ] - [ 0.0010365700000000, 0.0006570600000000, -0.0001424900000000 ] - [ -0.0000465100000000, 0.0015526400000000, 0.0034984500000000 ] - [ 0.0004773200000000, -0.0007870000000000, -0.0001914100000000 ] - [ -0.0028036800000000, 0.0030011700000000, 0.0000476800000000 ] - [ -0.0010605400000000, -0.0000396500000000, 0.0001566400000000 ] - [ -0.0005573900000000, -0.0003242200000000, -0.0002899300000000 ] - [ -0.0005615400000000, 0.0014029900000000, -0.0000448000000000 ] - [ 0.0004802000000000, 0.0005094100000000, 0.0000841800000000 ] - [ -0.0012820100000000, 0.0015249100000000, 0.0000671000000000 ] - [ 0.0003670800000000, 0.0007382700000000, -0.0004256700000000 ] - [ 0.0002574600000000, 0.0002642000000000, 0.0001496200000000 ] - [ -0.0010161300000000, -0.0007091000000000, -0.0000190600000000 ] - [ 0.0017151700000000, 0.0005662500000000, 0.0000018700000000 ] - [ -0.0002872500000000, 0.0004598400000000, -0.0002574600000000 ] - [ -0.0001991400000000, -0.0003207000000000, 0.0000528100000000 ] - [ -0.0006864100000000, 0.0007796200000000, 0.0000046700000000 ] - [ -0.0005138700000000, -0.0004651700000000, -0.0002289700000000 ] - [ -0.0001564900000000, 0.0012593400000000, -0.0002169300000000 ] - [ -0.0007474100000000, 0.0012389000000000, 0.0000087800000000 ] - [ -0.0036637400000000, 0.0014110500000000, -0.0001729100000000 ] - [ 0.0003245700000000, 0.0005973600000000, 0.0000304900000000 ] - [ -0.0017595900000000, -0.0003909500000000, 0.0002338700000000 ] - [ 0.0006748200000000, -0.0008520200000000, -0.0001861200000000 ] - [ -0.0002040300000000, -0.0004018300000000, 0.0001370400000000 ] - [ 0.0001279000000000, 0.0003508800000000, -0.0010651900000000 ] - [ 0.0005768900000000, 0.0001968600000000, -0.0000490100000000 ] - [ -0.0003183500000000, -0.0004191700000000, 0.0009182500000000 ] - [ 0.0012624300000000, 0.0009142600000000, 0.0001573500000000 ] - [ 0.0001054600000000, -0.0010852900000000, -0.0001048100000000 ] - [ -0.0062679000000000, 0.0345370400000000, 0.0038002100000000 ] - [ -0.0000044800000000, 0.0008991300000000, -0.0000939000000000 ] - [ -0.0005795000000000, 0.0005293700000000, 0.0008345100000000 ] - [ -0.0000531700000000, -0.0047442400000000, -0.0002285900000000 ] - [ -0.0003154100000000, 0.0033498400000000, -0.0006096800000000 ] - [ 0.0052494700000000, 0.0156352500000000, 0.0020131100000000 ] - [ 0.0013945600000000, -0.0006782200000000, 0.0010959500000000 ] - [ -0.0007570800000000, -0.0020484500000000, -0.0001986600000000 ] - [ 0.0001693000000000, 0.0000578500000000, -0.0002354700000000 ] - [ -0.0003066700000000, 0.0007125800000000, -0.0001750600000000 ] - [ -0.0002819600000000, 0.0000027300000000, 0.0007616200000000 ] - [ 0.0113390100000000, -0.0000453700000000, -0.0002873400000000 ] - [ 0.0005503800000000, 0.0013309800000000, 0.0002615600000000 ] - [ 0.0006282200000000, 0.0002445600000000, -0.0001711600000000 ] - [ -0.0003841900000000, -0.0002136600000000, -0.0002529800000000 ] - [ -0.0010675200000000, 0.0010276400000000, -0.0003931500000000 ] - [ 0.0004118300000000, -0.0000550000000000, 0.0007978400000000 ] - [ -0.0009322500000000, -0.0053659300000000, -0.0003110400000000 ] - [ -0.0014451700000000, 0.0011031200000000, -0.0010434900000000 ] - [ -0.0005438400000000, -0.0002703200000000, -0.0000917400000000 ] - [ -0.0008028900000000, -0.0005199200000000, -0.0003552200000000 ] - [ 0.0018687100000000, -0.0021527600000000, -0.0013560000000000 ] - [ 0.0003073600000000, 0.0006234100000000, -0.0005253100000000 ] - [ 0.0004504500000000, 0.0002638300000000, 0.0001302600000000 ] - [ 0.0003513000000000, -0.0017434400000000, 0.0003416800000000 ] - [ 0.0003423900000000, 0.0013877600000000, 0.0004020900000000 ] - [ -0.0015011000000000, -0.0001605000000000, 0.0001430700000000 ] - [ -0.0001289800000000, 0.0005330000000000, -0.0001333200000000 ] - [ 0.0003753100000000, 0.0007561000000000, -0.0000379400000000 ] - [ -0.0001753500000000, 0.0009686900000000, 0.0000518400000000 ] - [ 0.0003250200000000, 0.0008046300000000, -0.0001066600000000 ] - [ 0.0005337500000000, 0.0000479500000000, -0.0001441100000000 ] - [ -0.0003572100000000, 0.0002940900000000, 0.0000359400000000 ] - [ 0.0005611700000000, -0.0009540700000000, 0.0000220300000000 ] - [ -0.0006511800000000, 0.0004517500000000, 0.0001161000000000 ] - [ 0.0005449200000000, -0.0000000300000000, -0.0002113600000000 ] - [ 0.0004467400000000, 0.0003918000000000, 0.0000129100000000 ] - [ -0.0003395300000000, -0.0003679700000000, -0.0000300700000000 ] - [ 0.0011908700000000, -0.0006014600000000, 0.0001743300000000 ] - [ -0.0010021400000000, -0.0006648400000000, 0.0002254600000000 ] - [ -0.0017479800000000, 0.0020592800000000, 0.0003237200000000 ] - [ -0.0002566200000000, 0.0005708000000000, 0.0008637700000000 ] - [ -0.0003596800000000, 0.0001516100000000, -0.0001415000000000 ] - [ 0.0007940100000000, -0.0011904500000000, -0.0005943300000000 ] - [ -0.0006782100000000, 0.0010142600000000, 0.0002080600000000 ] - [ -0.0018453800000000, -0.0005880500000000, 0.0000150500000000 ]- atom: 93 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0004296000000000, 0.0001746800000000, 0.0000514600000000 ] - [ 0.0014302100000000, 0.0005698600000000, 0.0008344300000000 ] - [ 0.0000029900000000, -0.0003616800000000, 0.0002851200000000 ] - [ -0.0005331900000000, 0.0007795900000000, 0.0003545900000000 ] - [ -0.0021299700000000, -0.0019327600000000, 0.0021929700000000 ] - [ 0.0020283200000000, -0.0039144900000000, 0.0023553300000000 ] - [ -0.0003501800000000, 0.0008202800000000, -0.0001429000000000 ] - [ -0.0002870700000000, 0.0001467400000000, 0.0001312400000000 ] - [ -0.0000266700000000, -0.0001725700000000, 0.0000431500000000 ] - [ -0.0019641000000000, -0.0008568500000000, -0.0008730400000000 ] - [ 0.0004787800000000, 0.0005064700000000, 0.0000392300000000 ] - [ -0.0000705000000000, -0.0002196100000000, 0.0000371200000000 ] - [ 0.0013042600000000, 0.0009395900000000, -0.0005948800000000 ] - [ 0.0014848400000000, 0.0002770400000000, -0.0007104700000000 ] - [ 0.0001885900000000, 0.0004330500000000, 0.0002270200000000 ] - [ 0.0002608300000000, 0.0004444500000000, 0.0002509000000000 ] - [ -0.0004969200000000, 0.0001392000000000, 0.0001584700000000 ] - [ 0.0012018600000000, 0.0003113000000000, 0.0005189100000000 ] - [ 0.0001757300000000, 0.0006129200000000, 0.0000685200000000 ] - [ -0.0004476600000000, 0.0002637500000000, 0.0000830500000000 ] - [ 0.0001960900000000, -0.0003876900000000, 0.0000406300000000 ] - [ -0.0004233300000000, 0.0009198300000000, 0.0002254600000000 ] - [ -0.0021013000000000, -0.0013540600000000, 0.0027959600000000 ] - [ -0.0006832000000000, 0.0008757800000000, -0.0001534300000000 ] - [ -0.0008252500000000, -0.0007468100000000, -0.0002590900000000 ] - [ -0.0000282400000000, 0.0004583800000000, -0.0000821000000000 ] - [ 0.0027784100000000, -0.0062161600000000, -0.0072756900000000 ] - [ 0.0011012300000000, 0.0001752200000000, -0.0000762300000000 ] - [ -0.0093492800000000, -0.0383198600000000, -0.0079038800000000 ] - [ -0.0033657500000000, 0.0092857500000000, 0.0007453800000000 ] - [ -0.0002013700000000, 0.0012336500000000, -0.0004219500000000 ] - [ 0.0009994000000000, 0.0006986400000000, 0.0003270800000000 ] - [ -0.0012131800000000, -0.0014078300000000, 0.0001453100000000 ] - [ -0.0015763500000000, -0.0006949900000000, -0.0001755800000000 ] - [ 0.0008448600000000, 0.0008020100000000, -0.0003096800000000 ] - [ -0.0010931500000000, 0.0014686000000000, -0.0000296600000000 ] - [ -0.0017118600000000, 0.0005510800000000, 0.0008385600000000 ] - [ 0.0005898200000000, 0.0014868900000000, -0.0000341200000000 ] - [ 0.0003965500000000, 0.0001526100000000, 0.0003834100000000 ] - [ -0.0033286500000000, 0.0014872800000000, -0.0008050900000000 ] - [ 0.0015176900000000, 0.0026666000000000, -0.0002066100000000 ] - [ -0.0006466300000000, 0.0007240600000000, 0.0011934600000000 ] - [ -0.0006376600000000, 0.0013508100000000, 0.0003424600000000 ] - [ 0.0042965600000000, -0.0056660700000000, 0.0020475100000000 ] - [ -0.0002192000000000, -0.0001942300000000, -0.0000607600000000 ] - [ -0.0008186300000000, 0.0019623200000000, -0.0002994000000000 ] - [ 0.0012281800000000, -0.0016630000000000, -0.0000804500000000 ] - [ 0.0001685800000000, 0.0006580500000000, -0.0001413700000000 ] - [ -0.0034529200000000, -0.0003355100000000, -0.0000733000000000 ] - [ 0.0008130100000000, 0.0007673300000000, 0.0003282600000000 ] - [ -0.0015996100000000, 0.0019949600000000, -0.0003584700000000 ] - [ 0.0012211600000000, 0.0010715000000000, -0.0000076200000000 ] - [ 0.0015722100000000, 0.0006721700000000, 0.0002892400000000 ] - [ 0.0012988300000000, -0.0002609800000000, 0.0001062800000000 ] - [ -0.0007147000000000, -0.0004035400000000, -0.0004726700000000 ] - [ -0.0002014200000000, 0.0011222700000000, -0.0006686000000000 ] - [ 0.0001128700000000, 0.0008988400000000, -0.0006013100000000 ] - [ -0.0009279200000000, 0.0014305300000000, 0.0023208700000000 ] - [ 0.0008036500000000, -0.0017534900000000, -0.0004126500000000 ] - [ -0.0007688500000000, -0.0012661600000000, 0.0003555100000000 ] - [ 0.0010875800000000, 0.0011704900000000, -0.0006695000000000 ] - [ -0.0010675300000000, 0.0006814900000000, -0.0006222300000000 ] - [ 0.0013997600000000, -0.0045793000000000, 0.0031498400000000 ] - [ -0.0044094300000000, 0.0081552500000000, 0.0031503100000000 ] - [ -0.0006024500000000, -0.0006457900000000, -0.0006585700000000 ] - [ 0.0017444900000000, -0.1667066700000000, 0.0410138100000000 ] - [ -0.0009666600000000, -0.0008346800000000, -0.0005315100000000 ] - [ -0.0007964200000000, 0.0022527400000000, 0.0004397900000000 ] - [ -0.0014278800000000, -0.0003406300000000, -0.0008562300000000 ] - [ 0.0009136800000000, 0.0001622400000000, -0.0007802300000000 ] - [ -0.0025901300000000, 0.0008759300000000, -0.0006442500000000 ] - [ 0.0013305000000000, 0.0036714600000000, 0.0000205400000000 ] - [ -0.0036256100000000, -0.0057167900000000, 0.0178784900000000 ] - [ -0.0001558800000000, 0.0000205100000000, 0.0000956500000000 ] - [ 0.0005062000000000, -0.0004057800000000, 0.0002251100000000 ] - [ -0.0012350300000000, -0.0007603400000000, 0.0000363800000000 ] - [ -0.0007926400000000, -0.0003656900000000, -0.0000793000000000 ] - [ 0.0012051300000000, -0.0000626300000000, -0.0005716400000000 ] - [ 0.0001115800000000, 0.0012044000000000, -0.0005011900000000 ] - [ -0.0001037400000000, 0.0002658200000000, -0.0001429900000000 ] - [ 0.0005800400000000, -0.0004689100000000, -0.0000034000000000 ] - [ -0.0008549800000000, 0.0002662800000000, 0.0002943900000000 ] - [ 0.0005047200000000, -0.0005329000000000, 0.0000717700000000 ] - [ -0.0005084400000000, -0.0005236100000000, -0.0002207900000000 ] - [ 0.0010978600000000, -0.0025011000000000, -0.0025625500000000 ] - [ -0.0003660300000000, 0.0004415600000000, 0.0001044300000000 ] - [ 0.0011079100000000, -0.0006803900000000, 0.0000589500000000 ] - [ -0.0051998500000000, 0.0024037000000000, -0.0079247700000000 ] - [ -0.0002353700000000, -0.0002662000000000, -0.0000282500000000 ] - [ -0.0002641700000000, 0.0010114500000000, 0.0000137700000000 ] - [ -0.0014558700000000, -0.0044553900000000, 0.0008596000000000 ] - [ -0.0006846500000000, -0.0007643100000000, 0.0001507800000000 ] - [ 0.0274153100000000, 0.2566402400000000, -0.0439972600000000 ] - [ -0.0008177800000000, -0.0006014600000000, 0.0000981300000000 ] - [ 0.0001907300000000, -0.0015263700000000, -0.0018929200000000 ] - [ -0.0005313800000000, 0.0005731000000000, 0.0001500400000000 ] - [ 0.0024175800000000, -0.0027210000000000, -0.0003795600000000 ] - [ 0.0014899500000000, -0.0003467200000000, -0.0002797900000000 ] - [ -0.0009056700000000, -0.0004258200000000, -0.0004163200000000 ] - [ 0.0004485400000000, -0.0019582700000000, -0.0000885700000000 ] - [ -0.0005957600000000, 0.0002153800000000, -0.0001175200000000 ] - [ 0.0014827500000000, -0.0006480800000000, 0.0001919700000000 ] - [ -0.0004068500000000, -0.0014155100000000, 0.0005916100000000 ] - [ -0.0008673400000000, -0.0005658600000000, 0.0000247400000000 ] - [ 0.0004449700000000, 0.0002160500000000, -0.0000216800000000 ] - [ -0.0010587000000000, -0.0011775000000000, 0.0002522900000000 ] - [ 0.0003748100000000, 0.0011909800000000, -0.0004503600000000 ] - [ -0.0001148100000000, -0.0001338800000000, 0.0000430700000000 ] - [ -0.0001024600000000, -0.0012313500000000, 0.0000691300000000 ] - [ 0.0000612800000000, 0.0002757400000000, -0.0001067500000000 ] - [ 0.0006089000000000, -0.0010683700000000, -0.0001190700000000 ] - [ 0.0010593800000000, -0.0007850900000000, 0.0000861900000000 ] - [ 0.0036568800000000, -0.0023058500000000, 0.0002386400000000 ] - [ 0.0002287400000000, -0.0006442500000000, 0.0000663900000000 ] - [ 0.0010874000000000, 0.0008123000000000, 0.0000164700000000 ] - [ -0.0014105200000000, 0.0005103900000000, 0.0004544200000000 ] - [ -0.0000016600000000, -0.0004740500000000, 0.0001209800000000 ] - [ -0.0002847600000000, -0.0002046000000000, 0.0010283000000000 ] - [ -0.0000418600000000, 0.0007931800000000, 0.0000592400000000 ] - [ 0.0004209900000000, 0.0002887100000000, 0.0006998100000000 ] - [ -0.0009106200000000, -0.0009775600000000, -0.0004209900000000 ] - [ -0.0001606100000000, 0.0009913700000000, 0.0001228600000000 ] - [ 0.0060584700000000, -0.0335712900000000, -0.0039720500000000 ] - [ 0.0014676500000000, -0.0001457400000000, -0.0006119200000000 ] - [ 0.0005214000000000, -0.0006727300000000, 0.0007755400000000 ] - [ 0.0008343400000000, 0.0042817900000000, 0.0002996000000000 ] - [ -0.0002163900000000, -0.0043397500000000, 0.0006192300000000 ] - [ -0.0052282700000000, -0.0164701400000000, -0.0020423500000000 ] - [ -0.0020455400000000, 0.0012912100000000, -0.0008295900000000 ] - [ 0.0015486300000000, 0.0025108700000000, 0.0002724400000000 ] - [ 0.0001195800000000, -0.0003204400000000, -0.0002011900000000 ] - [ 0.0006740400000000, -0.0005969800000000, -0.0002575100000000 ] - [ 0.0003415500000000, 0.0001410100000000, 0.0008478300000000 ] - [ -0.0115152400000000, -0.0000718300000000, 0.0002278700000000 ] - [ -0.0004825000000000, -0.0012128000000000, -0.0002449500000000 ] - [ -0.0004739700000000, -0.0005456800000000, 0.0000504000000000 ] - [ 0.0000159200000000, 0.0000986400000000, -0.0001802600000000 ] - [ 0.0011412500000000, -0.0011559300000000, 0.0004111400000000 ] - [ -0.0005599000000000, 0.0000367800000000, 0.0008124900000000 ] - [ 0.0008233300000000, 0.0058832400000000, 0.0004263600000000 ] - [ 0.0011582700000000, -0.0008401100000000, 0.0006096600000000 ] - [ 0.0006803500000000, 0.0002615800000000, 0.0001100700000000 ] - [ 0.0004652200000000, 0.0005388500000000, 0.0002329100000000 ] - [ -0.0022150000000000, 0.0022183200000000, 0.0010886500000000 ] - [ -0.0003965000000000, -0.0009988400000000, 0.0000900400000000 ] - [ 0.0002153500000000, -0.0006968000000000, 0.0001212900000000 ] - [ -0.0003131800000000, 0.0024262300000000, -0.0001777300000000 ] - [ -0.0001250900000000, -0.0011335600000000, -0.0006674900000000 ] - [ 0.0009525300000000, 0.0002104300000000, -0.0000469400000000 ] - [ 0.0004685600000000, -0.0005481100000000, 0.0000102000000000 ] - [ -0.0009151400000000, -0.0009360300000000, -0.0000901900000000 ] - [ 0.0001081200000000, -0.0014549400000000, -0.0003875800000000 ] - [ 0.0002430400000000, -0.0003168500000000, 0.0000656800000000 ] - [ -0.0004395100000000, -0.0003437100000000, -0.0001377500000000 ] - [ 0.0002863300000000, -0.0001653600000000, -0.0000178700000000 ] - [ -0.0004488900000000, 0.0015198000000000, -0.0001561800000000 ] - [ 0.0005139200000000, -0.0004477000000000, -0.0000985800000000 ] - [ -0.0001604200000000, -0.0002948900000000, -0.0001204100000000 ] - [ -0.0008809600000000, -0.0000090100000000, -0.0001391600000000 ] - [ 0.0010562100000000, 0.0001170100000000, -0.0000142600000000 ] - [ -0.0014108100000000, 0.0003500000000000, -0.0004441800000000 ] - [ 0.0009792800000000, -0.0001332400000000, 0.0000272500000000 ] - [ 0.0011245100000000, -0.0010834700000000, -0.0002963900000000 ] - [ 0.0001536800000000, -0.0004443400000000, 0.0007546900000000 ] - [ 0.0002715300000000, -0.0018018700000000, -0.0005657700000000 ] - [ 0.0006157100000000, 0.0002798300000000, -0.0001159300000000 ] - [ 0.0007049900000000, -0.0002136800000000, 0.0000455600000000 ] - [ 0.0009883000000000, 0.0003264400000000, 0.0002416400000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000602800000000, 0.0000443700000000, 0.0001373900000000 ] - [ -0.0000492500000000, -0.0002638400000000, -0.0000628700000000 ] - [ 0.0000811700000000, 0.0000131800000000, 0.0002579500000000 ] - [ -0.0001138100000000, -0.0000282900000000, 0.0001880000000000 ] - [ 0.0026106100000000, -0.0012247400000000, -0.0016865100000000 ] - [ 0.0021272300000000, -0.0015391200000000, 0.0044440400000000 ] - [ 0.0000349600000000, 0.0001424800000000, 0.0000272000000000 ] - [ 0.0000191900000000, -0.0000064200000000, 0.0001009500000000 ] - [ -0.0000707200000000, 0.0000005500000000, 0.0000783000000000 ] - [ -0.0014959900000000, 0.0003383000000000, 0.0004406700000000 ] - [ 0.0001915800000000, 0.0001144200000000, 0.0000269800000000 ] - [ -0.0000331100000000, 0.0000157000000000, 0.0000013500000000 ] - [ 0.0007544300000000, 0.0007783200000000, 0.0001637700000000 ] - [ 0.0003979900000000, 0.0003557500000000, -0.0002226100000000 ] - [ -0.0001001200000000, 0.0000454300000000, 0.0002445700000000 ] - [ 0.0000035200000000, 0.0000928100000000, 0.0002262900000000 ] - [ -0.0000562100000000, -0.0000130900000000, 0.0001156200000000 ] - [ -0.0001012200000000, -0.0003452300000000, 0.0002774000000000 ] - [ -0.0000301200000000, 0.0002123300000000, 0.0000034100000000 ] - [ -0.0001010100000000, 0.0000740600000000, 0.0001096200000000 ] - [ 0.0000980700000000, -0.0001483700000000, 0.0000088800000000 ] - [ 0.0000312200000000, 0.0000426400000000, 0.0000483300000000 ] - [ 0.0019430200000000, -0.0013357900000000, -0.0003589100000000 ] - [ -0.0002645600000000, 0.0001859700000000, 0.0000993400000000 ] - [ -0.0002434500000000, -0.0006246100000000, -0.0002319500000000 ] - [ -0.0002334100000000, 0.0002265500000000, -0.0000120000000000 ] - [ 0.0027412800000000, -0.0027449200000000, -0.0105385300000000 ] - [ 0.0005644100000000, 0.0002926000000000, -0.0002688000000000 ] - [ 0.0300983600000000, 0.0277918800000000, 0.0347162800000000 ] - [ -0.0001403800000000, -0.0025324800000000, -0.0003463800000000 ] - [ -0.0006951500000000, 0.0001121600000000, -0.0000716600000000 ] - [ 0.0000932100000000, -0.0000353400000000, 0.0003469500000000 ] - [ -0.0003862000000000, -0.0001771900000000, -0.0000462200000000 ] - [ -0.0004631500000000, 0.0003127600000000, -0.0001664400000000 ] - [ 0.0003046300000000, 0.0007623300000000, -0.0001195100000000 ] - [ -0.0002218000000000, 0.0000213500000000, -0.0000356400000000 ] - [ -0.0003457500000000, 0.0000994300000000, 0.0000481600000000 ] - [ -0.0006180000000000, 0.0006418500000000, -0.0000374100000000 ] - [ 0.0000509000000000, -0.0000386200000000, 0.0004122000000000 ] - [ -0.0001817200000000, 0.0002414100000000, 0.0007326900000000 ] - [ 0.0002956400000000, 0.0003949300000000, -0.0000196200000000 ] - [ -0.0000551100000000, -0.0008603300000000, -0.0007259500000000 ] - [ -0.0000912200000000, 0.0000933700000000, 0.0004324100000000 ] - [ -0.0000390000000000, -0.0015376900000000, 0.0016402400000000 ] - [ 0.0001368400000000, -0.0000013600000000, -0.0000320200000000 ] - [ -0.0000384300000000, 0.0008629900000000, -0.0002955700000000 ] - [ -0.0011835800000000, 0.0000982100000000, -0.0002664200000000 ] - [ 0.0005456200000000, -0.0003378700000000, -0.0002390200000000 ] - [ 0.0003514700000000, -0.0004412200000000, -0.0005299200000000 ] - [ 0.0007356100000000, 0.0002546000000000, 0.0003595000000000 ] - [ -0.0002940000000000, 0.0004929800000000, -0.0005789400000000 ] - [ 0.0007008200000000, -0.0005984000000000, 0.0002568600000000 ] - [ 0.0005133800000000, -0.0001978600000000, 0.0001203600000000 ] - [ 0.0001027800000000, -0.0005768400000000, 0.0002978400000000 ] - [ -0.0003500400000000, 0.0007354100000000, 0.0011538700000000 ] - [ 0.0003969800000000, 0.0000060000000000, -0.0006080600000000 ] - [ -0.0000921200000000, 0.0005163400000000, -0.0005712600000000 ] - [ -0.0009663200000000, 0.0016590100000000, -0.0010189800000000 ] - [ 0.0004593500000000, -0.0004899300000000, -0.0026030300000000 ] - [ -0.0002915900000000, -0.0008633300000000, 0.0003601200000000 ] - [ -0.0004233500000000, 0.0001892100000000, -0.0005724400000000 ] - [ -0.0005385000000000, -0.0002408000000000, -0.0005577300000000 ] - [ 0.0016463200000000, 0.0002941300000000, -0.0109486500000000 ] - [ -0.0007853400000000, 0.0001820800000000, 0.0007828500000000 ] - [ -0.0000751000000000, -0.0003374300000000, -0.0006837800000000 ] - [ -0.0066055800000000, -0.0531121300000000, 0.0547962700000000 ] - [ -0.0003968600000000, -0.0000312900000000, -0.0008122200000000 ] - [ 0.0001759600000000, 0.0009910100000000, 0.0002825000000000 ] - [ -0.0000363100000000, 0.0003853400000000, -0.0001688300000000 ] - [ 0.0000957500000000, 0.0001501600000000, -0.0007891200000000 ] - [ -0.0011545500000000, 0.0002825500000000, -0.0007766600000000 ] - [ 0.0002942200000000, 0.0002396000000000, 0.0003401100000000 ] - [ 0.0001563300000000, -0.0183436000000000, 0.0156680500000000 ] - [ 0.0003547400000000, 0.0001603600000000, 0.0001150900000000 ] - [ 0.0004907200000000, 0.0000690900000000, 0.0001458100000000 ] - [ -0.0004414200000000, 0.0001695700000000, 0.0000385600000000 ] - [ -0.0000658300000000, -0.0000780700000000, -0.0001068100000000 ] - [ 0.0000678000000000, 0.0002270600000000, 0.0000982200000000 ] - [ 0.0000403200000000, 0.0000008400000000, 0.0001819500000000 ] - [ -0.0004847900000000, -0.0000042700000000, 0.0000162900000000 ] - [ -0.0002329400000000, 0.0000665800000000, -0.0000359600000000 ] - [ -0.0004041500000000, 0.0002428600000000, 0.0000458600000000 ] - [ 0.0003962700000000, -0.0005294700000000, 0.0000386300000000 ] - [ -0.0007421800000000, 0.0004324800000000, -0.0003488400000000 ] - [ 0.0004724900000000, -0.0001836600000000, 0.0010235100000000 ] - [ -0.0000671100000000, 0.0004834900000000, 0.0000591600000000 ] - [ 0.0005269200000000, -0.0000281400000000, -0.0000158900000000 ] - [ 0.0070850400000000, 0.0077543800000000, 0.0141984700000000 ] - [ -0.0001189700000000, -0.0001382500000000, -0.0000630600000000 ] - [ 0.0004355500000000, 0.0002904500000000, -0.0009801600000000 ] - [ 0.0003596000000000, 0.0005569900000000, -0.0003971700000000 ] - [ 0.0000160000000000, -0.0002456500000000, 0.0000775600000000 ] - [ -0.0312436800000000, 0.0340946500000000, -0.0941470400000000 ] - [ -0.0000282900000000, -0.0001031100000000, 0.0000587800000000 ] - [ -0.0001015000000000, 0.0003712800000000, 0.0000725700000000 ] - [ -0.0002492000000000, 0.0001197500000000, 0.0004774200000000 ] - [ -0.0001842500000000, 0.0000542500000000, -0.0009485300000000 ] - [ 0.0007662600000000, -0.0004086600000000, 0.0004326900000000 ] - [ -0.0006904700000000, -0.0003943900000000, -0.0003458400000000 ] - [ 0.0000162900000000, -0.0003393600000000, -0.0000944500000000 ] - [ -0.0000342000000000, 0.0004114700000000, 0.0000355100000000 ] - [ 0.0000483100000000, 0.0004073200000000, 0.0001219800000000 ] - [ 0.0000094400000000, -0.0004613300000000, -0.0000543300000000 ] - [ -0.0003558900000000, -0.0001639000000000, 0.0001239600000000 ] - [ -0.0001383600000000, -0.0002171700000000, 0.0000988900000000 ] - [ 0.0001909900000000, -0.0003425400000000, 0.0000896100000000 ] - [ 0.0000968800000000, 0.0008637500000000, -0.0003758000000000 ] - [ -0.0001549800000000, -0.0001929900000000, 0.0000304600000000 ] - [ -0.0003280500000000, -0.0004047200000000, 0.0000489800000000 ] - [ -0.0001639200000000, -0.0000454900000000, -0.0001457200000000 ] - [ 0.0002592700000000, -0.0000036200000000, -0.0001765400000000 ] - [ 0.0002933400000000, 0.0000720800000000, 0.0000934400000000 ] - [ -0.0004768900000000, -0.0000844500000000, -0.0001861200000000 ] - [ 0.0003123200000000, -0.0000656400000000, 0.0000395500000000 ] - [ -0.0003302100000000, 0.0001911500000000, -0.0001292300000000 ] - [ -0.0020263500000000, 0.0004643900000000, 0.0031644300000000 ] - [ -0.0001044400000000, -0.0004191900000000, 0.0001405800000000 ] - [ 0.0001611500000000, -0.0011285600000000, 0.0029837600000000 ] - [ 0.0004932600000000, 0.0005770700000000, 0.0000628600000000 ] - [ 0.0000418000000000, -0.0000521900000000, 0.0008893800000000 ] - [ 0.0001929500000000, -0.0000494200000000, -0.0001499100000000 ] - [ -0.0001872000000000, -0.0001978300000000, -0.0001581700000000 ] - [ -0.0028598900000000, 0.0108160300000000, -0.0058363800000000 ] - [ 0.0004833700000000, 0.0003356200000000, -0.0000402200000000 ] - [ 0.0000296000000000, -0.0001430800000000, 0.0007990400000000 ] - [ 0.0001468600000000, 0.0000180300000000, 0.0050891500000000 ] - [ -0.0002546500000000, -0.0008581100000000, -0.0000620700000000 ] - [ -0.0002700600000000, -0.0032652500000000, -0.0039160500000000 ] - [ 0.0010280600000000, 0.0003627300000000, 0.0026187400000000 ] - [ 0.0006391100000000, 0.0003864700000000, -0.0006748300000000 ] - [ 0.0001839100000000, -0.0001538700000000, -0.0002376100000000 ] - [ 0.0002062600000000, 0.0000035700000000, -0.0001710400000000 ] - [ 0.0001215900000000, 0.0000730200000000, 0.0008284400000000 ] - [ -0.0005898000000000, 0.0000319400000000, -0.0076208700000000 ] - [ -0.0000562300000000, 0.0000913900000000, 0.0001110900000000 ] - [ 0.0000347900000000, -0.0001691900000000, -0.0000299600000000 ] - [ -0.0001551800000000, -0.0000390900000000, -0.0002241900000000 ] - [ 0.0002394500000000, -0.0002991500000000, 0.0002212400000000 ] - [ -0.0000931600000000, -0.0000019900000000, 0.0009016000000000 ] - [ -0.0026311100000000, -0.0001510100000000, -0.0040782400000000 ] - [ 0.0005252100000000, -0.0008504200000000, -0.0000475800000000 ] - [ 0.0000926200000000, 0.0000155000000000, -0.0000067800000000 ] - [ 0.0001899100000000, 0.0000360900000000, -0.0001084400000000 ] - [ -0.0022089000000000, 0.0005131300000000, 0.0023102000000000 ] - [ -0.0001070700000000, -0.0002205900000000, -0.0001558800000000 ] - [ 0.0003089200000000, -0.0002359100000000, 0.0001266100000000 ] - [ 0.0013462800000000, 0.0016101100000000, 0.0013001300000000 ] - [ 0.0001843200000000, -0.0003387600000000, 0.0000009400000000 ] - [ -0.0000818400000000, 0.0001004900000000, 0.0007413900000000 ] - [ 0.0002301200000000, -0.0000649500000000, -0.0000814700000000 ] - [ -0.0003239500000000, -0.0001481300000000, -0.0000628600000000 ] - [ -0.0000706500000000, -0.0003045100000000, -0.0001888000000000 ] - [ 0.0002563400000000, 0.0002126800000000, -0.0000235200000000 ] - [ -0.0000469800000000, -0.0001407800000000, -0.0001199000000000 ] - [ 0.0000543500000000, 0.0000060300000000, -0.0000120700000000 ] - [ -0.0001565700000000, 0.0004163500000000, 0.0004308100000000 ] - [ -0.0000488500000000, -0.0000414600000000, 0.0000195500000000 ] - [ 0.0002740700000000, -0.0001369900000000, -0.0001554000000000 ] - [ -0.0002917100000000, 0.0002121100000000, -0.0000912900000000 ] - [ 0.0005025400000000, -0.0000928700000000, 0.0000188400000000 ] - [ -0.0002032900000000, 0.0001470300000000, -0.0003264200000000 ] - [ 0.0001908900000000, -0.0003785900000000, 0.0000523900000000 ] - [ -0.0001785900000000, 0.0002663500000000, -0.0001459300000000 ] - [ -0.0000636300000000, 0.0000369200000000, 0.0007938800000000 ] - [ -0.0000318700000000, -0.0009561900000000, -0.0003617400000000 ] - [ 0.0005121700000000, -0.0004699300000000, -0.0004942300000000 ] - [ 0.0001446500000000, 0.0003187500000000, 0.0001346900000000 ] - [ -0.0003042500000000, -0.0001071700000000, -0.0001130400000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000131700000000, -0.0000112200000000, 0.0000894700000000 ] - [ 0.0000509100000000, 0.0002641100000000, 0.0001946000000000 ] - [ 0.0000308700000000, 0.0001331400000000, 0.0001998300000000 ] - [ 0.0000006100000000, -0.0001176700000000, 0.0002717900000000 ] - [ -0.0028949400000000, 0.0010114300000000, 0.0017349800000000 ] - [ -0.0017787200000000, 0.0013681600000000, -0.0037519100000000 ] - [ -0.0000343700000000, -0.0001393300000000, 0.0000810300000000 ] - [ 0.0000271400000000, -0.0000263600000000, 0.0001267800000000 ] - [ 0.0000698400000000, -0.0000016200000000, 0.0000282500000000 ] - [ 0.0015713400000000, -0.0005086600000000, 0.0000121000000000 ] - [ 0.0001021100000000, 0.0000916700000000, 0.0000066700000000 ] - [ 0.0000335800000000, -0.0000149700000000, 0.0000534200000000 ] - [ -0.0007555900000000, -0.0007762200000000, -0.0000477200000000 ] - [ -0.0004456200000000, -0.0003754300000000, 0.0004546400000000 ] - [ -0.0000845200000000, -0.0000226300000000, 0.0002152300000000 ] - [ -0.0000757100000000, 0.0000764300000000, 0.0002343600000000 ] - [ 0.0000496400000000, -0.0000425500000000, 0.0001103600000000 ] - [ 0.0001546300000000, 0.0003700300000000, -0.0000534000000000 ] - [ -0.0000026300000000, 0.0001463900000000, 0.0000316900000000 ] - [ 0.0001045800000000, -0.0000174400000000, 0.0001174300000000 ] - [ 0.0002281600000000, -0.0000057200000000, 0.0000278500000000 ] - [ -0.0000323600000000, -0.0000422100000000, 0.0000045900000000 ] - [ -0.0019042400000000, 0.0009714000000000, 0.0003738700000000 ] - [ -0.0000627900000000, -0.0000323800000000, -0.0000648400000000 ] - [ 0.0001054700000000, -0.0006549200000000, -0.0002674500000000 ] - [ -0.0000336100000000, 0.0001314000000000, -0.0000339900000000 ] - [ -0.0014481100000000, 0.0016320900000000, 0.0104278400000000 ] - [ 0.0006033300000000, 0.0002368100000000, -0.0002262600000000 ] - [ -0.0304194200000000, -0.0281183600000000, -0.0335229300000000 ] - [ -0.0001842900000000, 0.0009151400000000, 0.0002405500000000 ] - [ -0.0009063900000000, -0.0006817500000000, -0.0000331800000000 ] - [ -0.0000743100000000, -0.0000081100000000, 0.0004565700000000 ] - [ 0.0003281600000000, 0.0001861400000000, 0.0008505800000000 ] - [ -0.0005884000000000, 0.0004467200000000, -0.0003290400000000 ] - [ 0.0000018400000000, 0.0008987000000000, 0.0000080500000000 ] - [ -0.0002115200000000, -0.0000815400000000, -0.0000052400000000 ] - [ 0.0003667300000000, -0.0000590100000000, 0.0007540800000000 ] - [ -0.0006818900000000, 0.0004582800000000, -0.0000695900000000 ] - [ -0.0000699400000000, -0.0000031600000000, 0.0003868700000000 ] - [ 0.0004453500000000, -0.0005941000000000, -0.0007693300000000 ] - [ -0.0001173800000000, 0.0000217100000000, -0.0000154700000000 ] - [ -0.0011148600000000, 0.0003456100000000, 0.0002220000000000 ] - [ 0.0001386400000000, -0.0001020700000000, 0.0003708800000000 ] - [ 0.0016711500000000, 0.0020776600000000, -0.0017045200000000 ] - [ 0.0002957600000000, 0.0000635900000000, -0.0000099200000000 ] - [ 0.0001723700000000, 0.0004203600000000, -0.0002058900000000 ] - [ 0.0010190200000000, -0.0005178500000000, 0.0002243200000000 ] - [ 0.0005032700000000, -0.0004166900000000, -0.0002589800000000 ] - [ -0.0000901600000000, -0.0005932100000000, -0.0006014000000000 ] - [ 0.0009272200000000, 0.0001242100000000, 0.0003142100000000 ] - [ 0.0000729500000000, 0.0001401800000000, -0.0006952800000000 ] - [ 0.0004721200000000, -0.0006392600000000, 0.0004138600000000 ] - [ 0.0001493900000000, -0.0003589600000000, 0.0002413900000000 ] - [ -0.0002560600000000, -0.0002466200000000, 0.0000490200000000 ] - [ -0.0008478000000000, 0.0005053500000000, -0.0005080500000000 ] - [ 0.0003199000000000, -0.0001226700000000, -0.0006580800000000 ] - [ -0.0001783800000000, 0.0005174600000000, -0.0005649600000000 ] - [ 0.0011312900000000, -0.0008439000000000, 0.0013852400000000 ] - [ -0.0012489800000000, 0.0001909900000000, 0.0029519800000000 ] - [ -0.0002094300000000, -0.0007654400000000, 0.0003110600000000 ] - [ -0.0006304600000000, 0.0000919000000000, -0.0005642400000000 ] - [ -0.0002068800000000, -0.0005278700000000, -0.0005785100000000 ] - [ -0.0005804000000000, -0.0005710600000000, 0.0098183100000000 ] - [ 0.0003869400000000, -0.0007642500000000, -0.0020685400000000 ] - [ 0.0002900900000000, -0.0002930700000000, -0.0005897500000000 ] - [ 0.0060508100000000, 0.0540636000000000, -0.0538495800000000 ] - [ -0.0003171500000000, 0.0001462000000000, -0.0004521600000000 ] - [ 0.0003231000000000, 0.0006392200000000, 0.0003901000000000 ] - [ 0.0007792700000000, 0.0003779900000000, -0.0009596700000000 ] - [ 0.0003223900000000, 0.0004220200000000, -0.0004792800000000 ] - [ -0.0005170000000000, -0.0006503200000000, 0.0014457200000000 ] - [ 0.0004855500000000, 0.0000592900000000, 0.0000069800000000 ] - [ 0.0004269200000000, 0.0189401500000000, -0.0156687800000000 ] - [ 0.0003723100000000, 0.0001926300000000, 0.0001477900000000 ] - [ 0.0003728100000000, 0.0001876800000000, 0.0001199000000000 ] - [ -0.0003440900000000, 0.0002887200000000, 0.0000411000000000 ] - [ 0.0002322900000000, -0.0000795100000000, 0.0000647900000000 ] - [ 0.0001180000000000, 0.0000558400000000, -0.0002213500000000 ] - [ 0.0000172700000000, 0.0004925100000000, -0.0005177300000000 ] - [ -0.0006101100000000, -0.0000331600000000, -0.0000172800000000 ] - [ -0.0004759000000000, 0.0001832900000000, -0.0000157200000000 ] - [ -0.0001627000000000, 0.0001429700000000, 0.0001351600000000 ] - [ 0.0002217800000000, -0.0004499700000000, -0.0000173000000000 ] - [ -0.0006552600000000, 0.0004620100000000, -0.0003645000000000 ] - [ 0.0000951600000000, -0.0002085500000000, -0.0008630300000000 ] - [ 0.0000575900000000, 0.0004278800000000, 0.0000206000000000 ] - [ 0.0005668700000000, 0.0000655800000000, 0.0000145200000000 ] - [ -0.0073540700000000, -0.0075714900000000, -0.0144463400000000 ] - [ -0.0000658200000000, -0.0001438100000000, -0.0000558300000000 ] - [ -0.0003465800000000, 0.0000786400000000, 0.0005624100000000 ] - [ -0.0003120200000000, -0.0003529600000000, 0.0003611900000000 ] - [ 0.0002028000000000, -0.0002516100000000, 0.0000100900000000 ] - [ 0.0319268100000000, -0.0338413700000000, 0.0930779800000000 ] - [ 0.0002487400000000, 0.0001647900000000, -0.0001023600000000 ] - [ 0.0002558700000000, -0.0003462200000000, 0.0015552300000000 ] - [ 0.0002010500000000, -0.0003341500000000, -0.0005168400000000 ] - [ -0.0002069200000000, 0.0002421000000000, 0.0006178600000000 ] - [ -0.0003415500000000, 0.0000338000000000, -0.0005681900000000 ] - [ -0.0007790100000000, -0.0003635900000000, -0.0003657700000000 ] - [ -0.0001279900000000, -0.0002185300000000, -0.0000449500000000 ] - [ -0.0000834100000000, 0.0003044300000000, -0.0000779000000000 ] - [ 0.0001677000000000, 0.0004643300000000, 0.0001454700000000 ] - [ -0.0000607900000000, -0.0002224300000000, 0.0002331200000000 ] - [ -0.0002604800000000, -0.0001326500000000, 0.0000540200000000 ] - [ -0.0004273800000000, -0.0002681500000000, -0.0001484000000000 ] - [ 0.0004610500000000, -0.0002752100000000, 0.0001743200000000 ] - [ -0.0000149400000000, 0.0007917800000000, -0.0003385000000000 ] - [ -0.0001560400000000, -0.0002560600000000, 0.0000543100000000 ] - [ -0.0004693900000000, -0.0000432600000000, 0.0000344900000000 ] - [ -0.0002910000000000, -0.0001475300000000, -0.0001898300000000 ] - [ 0.0001969900000000, 0.0001952100000000, -0.0001590800000000 ] - [ 0.0000177300000000, 0.0003772400000000, -0.0000092300000000 ] - [ 0.0004979700000000, -0.0008326300000000, 0.0002668300000000 ] - [ 0.0002332100000000, 0.0000142900000000, 0.0000473000000000 ] - [ -0.0003345700000000, 0.0002491600000000, 0.0003883100000000 ] - [ 0.0012986000000000, -0.0008285100000000, -0.0028985200000000 ] - [ -0.0001087500000000, -0.0004522100000000, 0.0001268700000000 ] - [ -0.0003314600000000, 0.0012973000000000, -0.0030361000000000 ] - [ 0.0000388400000000, 0.0004017100000000, -0.0000613400000000 ] - [ 0.0000674900000000, -0.0000745700000000, 0.0007327800000000 ] - [ 0.0001489600000000, -0.0000167300000000, -0.0001164000000000 ] - [ 0.0001265500000000, 0.0000938800000000, 0.0001769500000000 ] - [ 0.0027705800000000, -0.0106365100000000, 0.0055142000000000 ] - [ 0.0009879700000000, 0.0004173500000000, -0.0006695000000000 ] - [ -0.0000834600000000, -0.0000086500000000, 0.0008172200000000 ] - [ 0.0006340100000000, -0.0004716200000000, -0.0049964300000000 ] - [ -0.0002828100000000, -0.0001203700000000, 0.0000648300000000 ] - [ 0.0003830600000000, 0.0025689700000000, 0.0038715700000000 ] - [ -0.0017016800000000, 0.0002516300000000, -0.0023634000000000 ] - [ 0.0001518100000000, 0.0000720100000000, 0.0007546900000000 ] - [ 0.0000948700000000, -0.0001096700000000, -0.0001933600000000 ] - [ 0.0001586500000000, 0.0001044500000000, -0.0002573300000000 ] - [ -0.0000657700000000, 0.0000771000000000, 0.0007859600000000 ] - [ 0.0003166400000000, -0.0001499800000000, 0.0075861600000000 ] - [ 0.0001215400000000, 0.0000132600000000, -0.0000962700000000 ] - [ 0.0001212100000000, -0.0001334800000000, -0.0000906300000000 ] - [ -0.0002088900000000, -0.0000693000000000, -0.0002026500000000 ] - [ -0.0001615200000000, 0.0001694500000000, -0.0002031200000000 ] - [ -0.0000622700000000, -0.0000260000000000, 0.0007144600000000 ] - [ 0.0024737600000000, 0.0006736300000000, 0.0041738600000000 ] - [ -0.0007973400000000, 0.0011030900000000, -0.0003870800000000 ] - [ 0.0000412500000000, -0.0000189700000000, 0.0000229500000000 ] - [ -0.0005256800000000, -0.0000199400000000, -0.0000175000000000 ] - [ 0.0018744400000000, -0.0004436400000000, -0.0025733500000000 ] - [ 0.0000160300000000, -0.0001496700000000, -0.0002759300000000 ] - [ 0.0003586900000000, -0.0002045500000000, 0.0001326700000000 ] - [ -0.0012854800000000, -0.0009153000000000, -0.0011348700000000 ] - [ 0.0000269100000000, 0.0005941900000000, -0.0002728000000000 ] - [ -0.0004565600000000, -0.0000534500000000, -0.0006536900000000 ] - [ 0.0001094000000000, 0.0000491600000000, -0.0000394600000000 ] - [ -0.0002112100000000, -0.0000304600000000, -0.0000715200000000 ] - [ 0.0000075200000000, -0.0001869900000000, -0.0001471100000000 ] - [ 0.0003087900000000, 0.0002741600000000, -0.0000261100000000 ] - [ 0.0001417500000000, -0.0001517100000000, -0.0001632700000000 ] - [ -0.0001273400000000, 0.0001186600000000, 0.0000288900000000 ] - [ 0.0002734100000000, 0.0001399100000000, -0.0005701400000000 ] - [ -0.0000834700000000, 0.0000436600000000, -0.0000034600000000 ] - [ 0.0001109500000000, -0.0001602000000000, -0.0001752900000000 ] - [ -0.0001372100000000, 0.0001656600000000, -0.0000417500000000 ] - [ 0.0002122200000000, -0.0001563400000000, -0.0000713700000000 ] - [ -0.0000191900000000, -0.0003997500000000, 0.0000517600000000 ] - [ -0.0002216000000000, -0.0004234900000000, 0.0002066400000000 ] - [ -0.0004373100000000, 0.0007095900000000, 0.0001654900000000 ] - [ -0.0000459600000000, 0.0000898800000000, 0.0008311000000000 ] - [ -0.0000504900000000, -0.0007012400000000, -0.0003517300000000 ] - [ 0.0008915200000000, -0.0004310900000000, -0.0002178200000000 ] - [ -0.0001113800000000, 0.0004838500000000, 0.0001262800000000 ] - [ -0.0005558700000000, -0.0001471200000000, 0.0003767100000000 ]- atom: 95 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0000323600000000, 0.0002239900000000, 0.0001141000000000 ] - [ 0.0000180200000000, -0.0001691800000000, 0.0000663400000000 ] - [ -0.0001481400000000, -0.0002457400000000, 0.0002621900000000 ] - [ -0.0003234300000000, 0.0002037100000000, 0.0002291400000000 ] - [ -0.0000726500000000, 0.0003097900000000, 0.0000161400000000 ] - [ 0.0013038300000000, -0.0008733100000000, -0.0000047500000000 ] - [ 0.0008978100000000, 0.0009614700000000, 0.0001633500000000 ] - [ 0.0000603800000000, 0.0001385500000000, 0.0001030900000000 ] - [ -0.0005131900000000, 0.0001498600000000, 0.0000476200000000 ] - [ 0.0000430900000000, 0.0003614100000000, 0.0002204400000000 ] - [ 0.0002019700000000, -0.0005982000000000, 0.0000271800000000 ] - [ -0.0004593300000000, 0.0001655000000000, 0.0000388600000000 ] - [ 0.0000220900000000, -0.0001138900000000, 0.0000533200000000 ] - [ 0.0000426100000000, 0.0000726900000000, 0.0001585600000000 ] - [ -0.0007165200000000, -0.0002396700000000, 0.0002150100000000 ] - [ 0.0000875900000000, -0.0002971300000000, 0.0002112700000000 ] - [ -0.0008254300000000, -0.0001276400000000, 0.0001570900000000 ] - [ 0.0038934300000000, 0.0001222000000000, 0.0001000100000000 ] - [ -0.0004891200000000, 0.0000543200000000, 0.0000219400000000 ] - [ -0.0007547500000000, 0.0000205200000000, 0.0001012200000000 ] - [ 0.0000079500000000, -0.0003468200000000, 0.0000068800000000 ] - [ 0.0007992400000000, 0.0026457100000000, -0.0000038300000000 ] - [ 0.0000550800000000, -0.0027293100000000, 0.0004937100000000 ] - [ -0.0003960300000000, 0.0004028000000000, 0.0000325700000000 ] - [ -0.0012367400000000, -0.0006567700000000, -0.0002403300000000 ] - [ -0.0014902700000000, 0.0002284000000000, 0.0000729200000000 ] - [ 0.0017730300000000, -0.0001373000000000, -0.0001120200000000 ] - [ -0.0010198000000000, 0.0003484700000000, 0.0002517400000000 ] - [ 0.0011492100000000, 0.0032841400000000, 0.0011796800000000 ] - [ -0.0002946700000000, -0.0005821300000000, -0.0000297400000000 ] - [ -0.0013009200000000, -0.0000942600000000, -0.0000661600000000 ] - [ -0.0007240900000000, -0.0012759500000000, 0.0000234700000000 ] - [ -0.0012572400000000, -0.0014576800000000, 0.0003968300000000 ] - [ -0.0009081700000000, 0.0011829200000000, -0.0002511200000000 ] - [ 0.0001236900000000, 0.0001625500000000, -0.0000852800000000 ] - [ 0.0001233300000000, 0.0010277600000000, -0.0001874600000000 ] - [ -0.0000856300000000, 0.0007181500000000, 0.0004126200000000 ] - [ -0.0012262900000000, -0.0002644100000000, -0.0000067900000000 ] - [ 0.0001206000000000, -0.0001660500000000, 0.0004101800000000 ] - [ -0.0062861700000000, 0.0024467700000000, -0.0027930100000000 ] - [ 0.0032543600000000, -0.0003307600000000, 0.0014034200000000 ] - [ 0.0260474200000000, 0.0033763800000000, -0.0278223900000000 ] - [ -0.0012366500000000, 0.0001992600000000, 0.0004053700000000 ] - [ 0.0012991000000000, -0.0009428300000000, -0.0001486200000000 ] - [ -0.0003227400000000, -0.0000540200000000, -0.0000779500000000 ] - [ -0.0012375200000000, 0.0023860800000000, -0.0002030800000000 ] - [ -0.0009321900000000, 0.0009563400000000, -0.0004366800000000 ] - [ 0.0014744400000000, -0.0006117300000000, -0.0000206300000000 ] - [ -0.0000333300000000, 0.0002654400000000, -0.0005492700000000 ] - [ -0.0007077600000000, 0.0001048300000000, 0.0002789300000000 ] - [ -0.0020587200000000, 0.0019766000000000, -0.0005912500000000 ] - [ 0.0021871100000000, -0.0044565700000000, -0.0005829400000000 ] - [ -0.0000677900000000, -0.0012353200000000, 0.0002107000000000 ] - [ -0.0000422300000000, -0.0011776500000000, 0.0002476200000000 ] - [ -0.0012529600000000, 0.0024224000000000, 0.0006388400000000 ] - [ 0.0019360000000000, -0.0001172500000000, -0.0007374500000000 ] - [ -0.0001374500000000, 0.0003219700000000, -0.0005431900000000 ] - [ 0.0000450900000000, 0.0006692800000000, 0.0001566400000000 ] - [ 0.0001036800000000, -0.0011219800000000, 0.0001386600000000 ] - [ -0.0007168800000000, -0.0009572700000000, 0.0003665800000000 ] - [ -0.0021224200000000, -0.0011961300000000, -0.0000564300000000 ] - [ -0.0016806200000000, -0.0003086500000000, -0.0005526000000000 ] - [ 0.0026252800000000, 0.0015180800000000, -0.0035646800000000 ] - [ 0.0500796400000000, 0.0075654100000000, 0.0460125000000000 ] - [ -0.0012423800000000, -0.0005004400000000, -0.0006960500000000 ] - [ 0.0004700200000000, 0.0006963300000000, 0.0003399800000000 ] - [ -0.0009008600000000, 0.0008193800000000, -0.0005678800000000 ] - [ 0.0005750700000000, 0.0023481400000000, 0.0006032300000000 ] - [ -0.0009106500000000, -0.0020451700000000, -0.0008619000000000 ] - [ -0.0017007800000000, 0.0009532300000000, -0.0011443200000000 ] - [ -0.0063479600000000, -0.0030513000000000, 0.0017056400000000 ] - [ -0.0003362900000000, 0.0002810600000000, 0.0001383200000000 ] - [ -0.0001255300000000, -0.0001711200000000, 0.0000282400000000 ] - [ 0.0012547900000000, 0.0004868700000000, -0.0003196900000000 ] - [ 0.0012026900000000, 0.0003140300000000, 0.0001780000000000 ] - [ 0.0002151000000000, 0.0012649000000000, 0.0000615600000000 ] - [ 0.0000226800000000, 0.0004503000000000, 0.0000503100000000 ] - [ 0.0001542600000000, -0.0001840800000000, -0.0000760300000000 ] - [ 0.0005068400000000, -0.0004978400000000, 0.0000181900000000 ] - [ -0.0001025700000000, -0.0001929800000000, -0.0000474400000000 ] - [ 0.0009439200000000, -0.0002044100000000, 0.0000537800000000 ] - [ -0.0002915000000000, 0.0005075500000000, 0.0000909200000000 ] - [ 0.0010659500000000, -0.0007182700000000, 0.0001548900000000 ] - [ -0.0024960100000000, 0.0014069100000000, -0.0008502100000000 ] - [ 0.0003440800000000, -0.0003281100000000, 0.0000932000000000 ] - [ 0.0000101600000000, 0.0006751000000000, 0.0000413900000000 ] - [ -0.0002584900000000, -0.0005049600000000, -0.0000130200000000 ] - [ -0.0012193100000000, -0.0034293100000000, 0.0005338300000000 ] - [ -0.0001471700000000, -0.0000621400000000, -0.0000833800000000 ] - [ 0.0003912900000000, -0.0004669700000000, -0.0001283600000000 ] - [ 0.0001660600000000, 0.0000692700000000, -0.0000190500000000 ] - [ -0.0001321200000000, 0.0008244400000000, 0.0007985400000000 ] - [ -0.0009344300000000, -0.0007405000000000, -0.0002398700000000 ] - [ 0.0005218400000000, 0.0002125700000000, -0.0000990800000000 ] - [ -0.0795490700000000, -0.0128351300000000, -0.0262963000000000 ] - [ 0.0000156600000000, 0.0004756200000000, 0.0000780300000000 ] - [ 0.0139696300000000, 0.0069850000000000, 0.0212864100000000 ] - [ 0.0002594600000000, -0.0004611600000000, -0.0000146500000000 ] - [ 0.0005189200000000, -0.0003624400000000, -0.0001406100000000 ] - [ 0.0004891500000000, -0.0006127000000000, -0.0000816600000000 ] - [ 0.0013419300000000, 0.0005712800000000, 0.0012180000000000 ] - [ 0.0002241100000000, -0.0002085000000000, 0.0001302200000000 ] - [ 0.0002836400000000, -0.0003341400000000, 0.0000772500000000 ] - [ -0.0001383500000000, 0.0002326900000000, 0.0000670300000000 ] - [ -0.0002854800000000, -0.0007384200000000, -0.0000533300000000 ] - [ 0.0005986200000000, 0.0012254000000000, -0.0016454900000000 ] - [ 0.0005237000000000, 0.0009834400000000, -0.0004092200000000 ] - [ -0.0000295800000000, -0.0001429700000000, 0.0000083000000000 ] - [ 0.0002064100000000, -0.0004991600000000, -0.0000495000000000 ] - [ 0.0002336700000000, 0.0002092700000000, -0.0000938400000000 ] - [ 0.0003938300000000, -0.0010290300000000, 0.0000269400000000 ] - [ 0.0003378200000000, -0.0005109700000000, 0.0000550000000000 ] - [ 0.0001163900000000, -0.0007114400000000, 0.0000437900000000 ] - [ 0.0010229800000000, 0.0002084800000000, 0.0000574000000000 ] - [ -0.0003330300000000, -0.0003570400000000, 0.0000626600000000 ] - [ -0.0054164200000000, -0.0002753600000000, 0.0012601300000000 ] - [ -0.0000385600000000, -0.0003800000000000, 0.0001465100000000 ] - [ -0.0002010800000000, -0.0000580400000000, 0.0000073700000000 ] - [ 0.0009230200000000, 0.0000673600000000, 0.0002268700000000 ] - [ 0.0002417400000000, -0.0003607400000000, 0.0008052200000000 ] - [ 0.0007159900000000, 0.0001216000000000, -0.0000296300000000 ] - [ 0.0010003300000000, -0.0012027300000000, -0.0007821000000000 ] - [ -0.0001821500000000, -0.0000804800000000, -0.0001566800000000 ] - [ 0.0090203700000000, 0.0004666100000000, -0.0122819600000000 ] - [ 0.0008980100000000, -0.0007180000000000, 0.0008760400000000 ] - [ -0.0003913000000000, -0.0010276800000000, 0.0005779700000000 ] - [ -0.0096267400000000, -0.0018373700000000, 0.0011240800000000 ] - [ -0.0059343300000000, -0.0061884100000000, -0.0088597000000000 ] - [ -0.0007317000000000, -0.0006540000000000, 0.0007277400000000 ] - [ 0.0003678300000000, 0.0014881800000000, 0.0001937000000000 ] - [ 0.0007941100000000, -0.0001369300000000, -0.0002655700000000 ] - [ 0.0001369400000000, -0.0004682900000000, -0.0002460700000000 ] - [ 0.0005999300000000, 0.0001505000000000, 0.0008320700000000 ] - [ -0.0007615400000000, 0.0001310700000000, -0.0001332100000000 ] - [ -0.0031439500000000, 0.0030598800000000, 0.0061674000000000 ] - [ 0.0004869100000000, 0.0002844700000000, -0.0003001800000000 ] - [ 0.0000679500000000, -0.0000115800000000, -0.0002132800000000 ] - [ 0.0023917100000000, -0.0010495400000000, 0.0001162300000000 ] - [ 0.0004858300000000, -0.0001760000000000, 0.0008429500000000 ] - [ 0.0000376200000000, -0.0004966200000000, -0.0001662100000000 ] - [ 0.0011791000000000, 0.0006753800000000, 0.0003205500000000 ] - [ 0.0004422900000000, -0.0001245500000000, 0.0000797000000000 ] - [ 0.0003271400000000, 0.0007815200000000, 0.0001314000000000 ] - [ -0.0008619500000000, 0.0004715600000000, -0.0001840600000000 ] - [ -0.0008498600000000, 0.0005276700000000, 0.0006602800000000 ] - [ 0.0001111300000000, -0.0000373400000000, 0.0000421500000000 ] - [ -0.0002092300000000, 0.0007642300000000, 0.0001338300000000 ] - [ 0.0002538800000000, -0.0000126900000000, -0.0001642800000000 ] - [ 0.0012451800000000, 0.0019880100000000, -0.0000057200000000 ] - [ 0.0007485300000000, -0.0000863800000000, -0.0000779600000000 ] - [ 0.0002540200000000, 0.0007660900000000, -0.0000455700000000 ] - [ -0.0012860400000000, 0.0004252400000000, -0.0001123900000000 ] - [ -0.0000216000000000, 0.0002425600000000, 0.0000351500000000 ] - [ 0.0000372600000000, 0.0004132500000000, -0.0002096300000000 ] - [ 0.0008466600000000, -0.0001778900000000, -0.0000477100000000 ] - [ -0.0000698300000000, 0.0012091700000000, -0.0000790900000000 ] - [ -0.0006611200000000, -0.0003203500000000, 0.0000520900000000 ] - [ 0.0015454400000000, -0.0001474400000000, -0.0003100100000000 ] - [ -0.0002280800000000, 0.0004781100000000, -0.0000294000000000 ] - [ 0.0014601000000000, 0.0001735900000000, -0.0000891400000000 ] - [ -0.0000227400000000, 0.0005158000000000, -0.0002467500000000 ] - [ 0.0010860500000000, 0.0001217000000000, 0.0000485600000000 ] - [ 0.0014347900000000, -0.0014773700000000, 0.0000703700000000 ] - [ -0.0006257600000000, -0.0001580000000000, 0.0008003500000000 ] - [ 0.0000201500000000, -0.0021489100000000, -0.0008422300000000 ] - [ 0.0013183600000000, -0.0013469000000000, -0.0006461200000000 ] - [ 0.0010873300000000, 0.0000155400000000, 0.0001054000000000 ] - [ 0.0021342700000000, 0.0014118000000000, 0.0002912900000000 ]- atom: 95 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0000303300000000, -0.0001939400000000, 0.0001097800000000 ] - [ -0.0000190800000000, 0.0001695000000000, 0.0000526700000000 ] - [ 0.0002687900000000, 0.0004032300000000, 0.0001972700000000 ] - [ 0.0002036300000000, -0.0003597900000000, 0.0002289100000000 ] - [ -0.0002328200000000, -0.0004995300000000, 0.0000181500000000 ] - [ -0.0010986400000000, 0.0008509300000000, 0.0004615600000000 ] - [ -0.0008896400000000, -0.0009619800000000, -0.0000425300000000 ] - [ 0.0000023400000000, -0.0001703200000000, 0.0001211400000000 ] - [ 0.0005133900000000, -0.0001514100000000, 0.0000667000000000 ] - [ 0.0000334000000000, -0.0005426900000000, 0.0002386100000000 ] - [ 0.0000994100000000, 0.0007922400000000, 0.0000065900000000 ] - [ 0.0004610300000000, -0.0001656600000000, 0.0000242300000000 ] - [ -0.0000210000000000, 0.0001160700000000, 0.0000661600000000 ] - [ -0.0001140600000000, -0.0001109700000000, 0.0000689300000000 ] - [ 0.0005206400000000, 0.0002664100000000, 0.0002438700000000 ] - [ -0.0001668800000000, 0.0004784000000000, 0.0002487500000000 ] - [ 0.0008294800000000, 0.0000600500000000, 0.0000667500000000 ] - [ -0.0042673300000000, -0.0000874000000000, 0.0001204200000000 ] - [ 0.0004767100000000, 0.0003060500000000, 0.0000118500000000 ] - [ 0.0007512600000000, 0.0000476400000000, 0.0001221300000000 ] - [ 0.0003106100000000, 0.0001775500000000, 0.0000285800000000 ] - [ -0.0007566600000000, -0.0026867200000000, 0.0000684000000000 ] - [ -0.0000325900000000, 0.0023662100000000, -0.0004582400000000 ] - [ 0.0000775200000000, -0.0002333700000000, 0.0000032100000000 ] - [ 0.0010759900000000, -0.0006303600000000, -0.0002607700000000 ] - [ 0.0012173400000000, 0.0001068900000000, -0.0001233100000000 ] - [ -0.0004830600000000, -0.0009859800000000, 0.0000026200000000 ] - [ 0.0022117000000000, 0.0001644100000000, -0.0007570100000000 ] - [ -0.0011922600000000, -0.0032096400000000, -0.0003926600000000 ] - [ -0.0000502600000000, -0.0010789100000000, -0.0000800900000000 ] - [ -0.0003186500000000, -0.0004429700000000, -0.0000378100000000 ] - [ 0.0007424100000000, 0.0012510900000000, 0.0007864700000000 ] - [ 0.0012139700000000, 0.0014565600000000, 0.0004077500000000 ] - [ -0.0001357100000000, -0.0004049900000000, -0.0002472500000000 ] - [ 0.0002206700000000, 0.0015038000000000, -0.0000227900000000 ] - [ -0.0005394300000000, -0.0011091300000000, 0.0001420200000000 ] - [ 0.0000933000000000, -0.0006757500000000, 0.0003869800000000 ] - [ -0.0000583300000000, 0.0013972900000000, -0.0001042900000000 ] - [ -0.0001302700000000, 0.0001200900000000, 0.0003892400000000 ] - [ 0.0065663900000000, -0.0027742300000000, 0.0027462500000000 ] - [ -0.0031560000000000, 0.0007110800000000, -0.0014586900000000 ] - [ -0.0276519900000000, -0.0039409700000000, 0.0274626700000000 ] - [ 0.0012828000000000, -0.0001980100000000, 0.0003992300000000 ] - [ 0.0003248000000000, 0.0014815800000000, 0.0000440600000000 ] - [ 0.0007425400000000, 0.0001346200000000, 0.0000331200000000 ] - [ 0.0013970800000000, -0.0010980100000000, -0.0002976100000000 ] - [ 0.0007717700000000, -0.0013784500000000, 0.0003996800000000 ] - [ -0.0004301300000000, -0.0001737000000000, -0.0004762600000000 ] - [ 0.0002923300000000, -0.0013010900000000, -0.0005870500000000 ] - [ 0.0023601100000000, 0.0002532000000000, 0.0003963100000000 ] - [ 0.0018678600000000, -0.0013445600000000, -0.0006860700000000 ] - [ -0.0010609700000000, 0.0031889900000000, 0.0012730000000000 ] - [ 0.0007514400000000, 0.0007145100000000, 0.0001546700000000 ] - [ -0.0000808500000000, 0.0003471900000000, 0.0001063500000000 ] - [ 0.0000928900000000, -0.0011996900000000, 0.0000269900000000 ] - [ -0.0012283800000000, -0.0000298100000000, -0.0005320800000000 ] - [ -0.0001218700000000, 0.0007100300000000, -0.0005936200000000 ] - [ 0.0000756200000000, 0.0001651500000000, 0.0001984900000000 ] - [ -0.0008610200000000, 0.0007980200000000, 0.0002141700000000 ] - [ 0.0002069600000000, -0.0006483600000000, 0.0003055300000000 ] - [ 0.0010694100000000, 0.0014955500000000, -0.0010898100000000 ] - [ 0.0009315300000000, -0.0004494600000000, -0.0005846300000000 ] - [ -0.0016153200000000, -0.0017942400000000, 0.0024339200000000 ] - [ -0.0511606400000000, -0.0081286200000000, -0.0472300500000000 ] - [ 0.0014354200000000, -0.0001315900000000, -0.0005798300000000 ] - [ -0.0011511400000000, -0.0001617900000000, 0.0000240000000000 ] - [ 0.0001954600000000, -0.0006803800000000, -0.0006991200000000 ] - [ -0.0000628100000000, -0.0007419500000000, 0.0000706700000000 ] - [ 0.0016612300000000, 0.0028021600000000, -0.0002760300000000 ] - [ 0.0021386700000000, -0.0004134200000000, -0.0001195600000000 ] - [ 0.0046946200000000, 0.0026870100000000, -0.0010298900000000 ] - [ 0.0010984700000000, 0.0000458900000000, 0.0002143900000000 ] - [ 0.0007340700000000, 0.0004802900000000, 0.0001422500000000 ] - [ -0.0005431000000000, -0.0001348600000000, 0.0005754800000000 ] - [ -0.0003418900000000, -0.0000432500000000, 0.0000703500000000 ] - [ -0.0010045800000000, -0.0008336800000000, -0.0000008600000000 ] - [ 0.0001248800000000, -0.0006045100000000, -0.0000954800000000 ] - [ 0.0000358500000000, 0.0004646800000000, -0.0000431600000000 ] - [ -0.0004369900000000, 0.0009832800000000, -0.0003571100000000 ] - [ -0.0009943600000000, 0.0001413800000000, 0.0000571900000000 ] - [ -0.0016637900000000, 0.0004592000000000, -0.0000882500000000 ] - [ -0.0002842300000000, -0.0001355300000000, 0.0000745700000000 ] - [ -0.0004371700000000, -0.0002544800000000, -0.0001239700000000 ] - [ 0.0011065700000000, -0.0005007700000000, 0.0001433900000000 ] - [ 0.0002319700000000, -0.0000435400000000, 0.0000736000000000 ] - [ -0.0000430700000000, 0.0002290600000000, 0.0000184600000000 ] - [ 0.0013526500000000, 0.0005637800000000, 0.0000266200000000 ] - [ 0.0010892500000000, 0.0037380900000000, -0.0006509800000000 ] - [ -0.0000423700000000, -0.0002169700000000, -0.0000382100000000 ] - [ -0.0003052400000000, 0.0008558200000000, -0.0003084500000000 ] - [ -0.0001063400000000, 0.0001280900000000, -0.0000244000000000 ] - [ 0.0003689900000000, -0.0013325800000000, -0.0006972000000000 ] - [ 0.0014799900000000, 0.0009205400000000, 0.0001183300000000 ] - [ -0.0003141200000000, -0.0001701900000000, 0.0000531400000000 ] - [ 0.0809120600000000, 0.0128221000000000, 0.0276667400000000 ] - [ -0.0000767300000000, -0.0006797600000000, -0.0001212000000000 ] - [ -0.0141832200000000, -0.0065519400000000, -0.0213409900000000 ] - [ 0.0001848300000000, 0.0000731700000000, -0.0001038400000000 ] - [ -0.0019912700000000, -0.0003827200000000, -0.0005609500000000 ] - [ -0.0006017400000000, 0.0000382200000000, -0.0000431900000000 ] - [ -0.0014653100000000, 0.0001499300000000, -0.0012566100000000 ] - [ -0.0000249700000000, 0.0010885800000000, 0.0001197700000000 ] - [ -0.0003172300000000, -0.0003508400000000, 0.0000883200000000 ] - [ -0.0004695100000000, -0.0005466500000000, 0.0001032800000000 ] - [ -0.0002868200000000, 0.0002501500000000, 0.0000229700000000 ] - [ 0.0000777400000000, -0.0018428600000000, 0.0019080000000000 ] - [ -0.0004322500000000, 0.0006635100000000, -0.0002913900000000 ] - [ -0.0002892900000000, -0.0003148200000000, 0.0001002700000000 ] - [ -0.0009864300000000, 0.0000348500000000, 0.0001127900000000 ] - [ -0.0006858400000000, -0.0003956200000000, -0.0002431500000000 ] - [ 0.0000561900000000, 0.0012145400000000, -0.0003629500000000 ] - [ -0.0000207200000000, 0.0009698600000000, 0.0000512900000000 ] - [ -0.0000828500000000, -0.0001925000000000, 0.0000157000000000 ] - [ -0.0004678800000000, -0.0002602400000000, 0.0000508600000000 ] - [ -0.0003281200000000, 0.0007820200000000, 0.0001783100000000 ] - [ 0.0047215700000000, -0.0001078600000000, -0.0009861600000000 ] - [ -0.0001606500000000, -0.0004961000000000, 0.0001013100000000 ] - [ 0.0000549400000000, 0.0002074500000000, -0.0000501600000000 ] - [ -0.0004007800000000, 0.0009296700000000, -0.0002136100000000 ] - [ -0.0001488900000000, 0.0002355100000000, 0.0008100000000000 ] - [ -0.0003703800000000, -0.0001947300000000, -0.0002331000000000 ] - [ -0.0010766800000000, 0.0011033800000000, 0.0008089800000000 ] - [ 0.0000933800000000, 0.0003756300000000, -0.0001238800000000 ] - [ -0.0074814400000000, 0.0002603300000000, 0.0114455100000000 ] - [ -0.0009611000000000, 0.0005794600000000, 0.0007329100000000 ] - [ 0.0011839000000000, 0.0005824200000000, -0.0005182500000000 ] - [ 0.0091019200000000, 0.0008815200000000, -0.0011980900000000 ] - [ 0.0060927100000000, 0.0054514600000000, 0.0088096200000000 ] - [ 0.0000825800000000, 0.0012668300000000, -0.0004860600000000 ] - [ 0.0004090100000000, -0.0010222800000000, -0.0001313600000000 ] - [ -0.0005000100000000, -0.0001273700000000, -0.0001738600000000 ] - [ 0.0002353600000000, 0.0005914200000000, -0.0001917800000000 ] - [ -0.0005377500000000, -0.0000138500000000, 0.0007739800000000 ] - [ 0.0005463300000000, -0.0001779800000000, 0.0000871200000000 ] - [ 0.0032372400000000, -0.0029328600000000, -0.0061651200000000 ] - [ -0.0003324000000000, -0.0005925400000000, 0.0001769200000000 ] - [ -0.0004426400000000, -0.0001101000000000, -0.0002240300000000 ] - [ -0.0023147800000000, 0.0009170500000000, -0.0000985200000000 ] - [ -0.0006303100000000, 0.0001636600000000, 0.0007638100000000 ] - [ -0.0002476700000000, 0.0010009000000000, 0.0002786100000000 ] - [ -0.0014741400000000, -0.0004098500000000, -0.0007614300000000 ] - [ -0.0003055500000000, 0.0001173000000000, -0.0000617200000000 ] - [ -0.0006674900000000, -0.0007601400000000, -0.0002579700000000 ] - [ 0.0005116100000000, -0.0004011600000000, -0.0000781600000000 ] - [ 0.0007775100000000, -0.0008994000000000, -0.0011084400000000 ] - [ 0.0005543100000000, -0.0003848000000000, 0.0002000900000000 ] - [ 0.0002400800000000, -0.0000811800000000, 0.0000322100000000 ] - [ -0.0000348300000000, 0.0002626300000000, -0.0001022700000000 ] - [ -0.0018011900000000, -0.0019348400000000, 0.0001128100000000 ] - [ -0.0004095500000000, 0.0000654300000000, -0.0000479900000000 ] - [ -0.0008042600000000, -0.0009601400000000, -0.0000757100000000 ] - [ 0.0012217300000000, -0.0008988700000000, -0.0002199400000000 ] - [ 0.0005948200000000, 0.0002515500000000, -0.0000664600000000 ] - [ 0.0000541400000000, -0.0007143300000000, -0.0000690900000000 ] - [ -0.0009203700000000, 0.0003104000000000, 0.0000664900000000 ] - [ 0.0001803800000000, -0.0006341400000000, -0.0000456700000000 ] - [ 0.0005215800000000, 0.0003270600000000, -0.0000353100000000 ] - [ -0.0011744500000000, -0.0001500000000000, -0.0000230000000000 ] - [ -0.0002145300000000, -0.0000895800000000, -0.0000885100000000 ] - [ -0.0007427800000000, -0.0004272600000000, 0.0000544600000000 ] - [ -0.0001977700000000, -0.0007669900000000, -0.0000198800000000 ] - [ -0.0011072100000000, -0.0009153100000000, 0.0001966000000000 ] - [ -0.0020699300000000, 0.0024484000000000, -0.0000356800000000 ] - [ 0.0005311900000000, 0.0002855800000000, 0.0008151700000000 ] - [ -0.0001146900000000, 0.0005021500000000, 0.0001399600000000 ] - [ 0.0000652200000000, 0.0004484800000000, -0.0000549200000000 ] - [ -0.0010678800000000, 0.0007769000000000, 0.0001390800000000 ] - [ -0.0029898600000000, -0.0016812300000000, -0.0000450400000000 ]- atom: 95 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0002139400000000, -0.0005236600000000, 0.0001024300000000 ] - [ -0.0001908600000000, -0.0002620000000000, 0.0000487400000000 ] - [ -0.0000406400000000, 0.0000551000000000, 0.0002238600000000 ] - [ 0.0002691400000000, -0.0003647000000000, 0.0002197000000000 ] - [ 0.0001936300000000, -0.0007995900000000, 0.0000328700000000 ] - [ -0.0014379600000000, 0.0002012500000000, 0.0003275200000000 ] - [ 0.0005443000000000, -0.0003237000000000, 0.0001747900000000 ] - [ 0.0002021800000000, -0.0005163400000000, 0.0001355200000000 ] - [ 0.0004732300000000, -0.0000397700000000, 0.0000712500000000 ] - [ 0.0004633000000000, -0.0009152400000000, 0.0002132800000000 ] - [ -0.0004784500000000, -0.0001681200000000, 0.0000034600000000 ] - [ 0.0003786900000000, -0.0000319600000000, 0.0000194100000000 ] - [ -0.0002295200000000, -0.0003219900000000, 0.0000733700000000 ] - [ 0.0003043400000000, 0.0015861200000000, -0.0001997500000000 ] - [ 0.0000136200000000, 0.0002120700000000, 0.0002221700000000 ] - [ -0.0004887100000000, -0.0001986700000000, 0.0002234300000000 ] - [ 0.0003471800000000, 0.0002372800000000, 0.0001203000000000 ] - [ -0.0025151000000000, 0.0021742400000000, 0.0002415300000000 ] - [ 0.0001009000000000, 0.0003051200000000, 0.0000202400000000 ] - [ 0.0003659200000000, 0.0002278800000000, 0.0001049400000000 ] - [ 0.0000634600000000, -0.0001619900000000, 0.0000164200000000 ] - [ 0.0020910900000000, -0.0018538200000000, 0.0000626400000000 ] - [ -0.0017934900000000, -0.0000178300000000, -0.0001273600000000 ] - [ 0.0001855000000000, -0.0002783800000000, 0.0000077000000000 ] - [ 0.0002430800000000, -0.0005813800000000, -0.0002578900000000 ] - [ 0.0005762800000000, 0.0003716200000000, -0.0000632300000000 ] - [ -0.0007952800000000, -0.0024908600000000, 0.0001422400000000 ] - [ 0.0016257800000000, 0.0013282700000000, -0.0005573100000000 ] - [ 0.0013043500000000, -0.0061790300000000, -0.0020410700000000 ] - [ 0.0001449100000000, -0.0018840700000000, -0.0000333300000000 ] - [ -0.0008321800000000, -0.0006862100000000, -0.0000045300000000 ] - [ -0.0012781700000000, 0.0012425300000000, 0.0005396100000000 ] - [ 0.0001338200000000, 0.0008732900000000, 0.0003657100000000 ] - [ 0.0001803400000000, -0.0006005200000000, -0.0002490100000000 ] - [ -0.0004138300000000, 0.0004991000000000, -0.0000938200000000 ] - [ 0.0007461800000000, -0.0012003500000000, 0.0001183900000000 ] - [ 0.0005803700000000, -0.0010895900000000, 0.0003894200000000 ] - [ -0.0009313200000000, 0.0004297100000000, -0.0000713100000000 ] - [ -0.0005202900000000, -0.0008871500000000, 0.0003994200000000 ] - [ 0.0016563500000000, 0.0004032400000000, 0.0004199600000000 ] - [ -0.0048956000000000, -0.0025567200000000, 0.0010272300000000 ] - [ -0.0103105000000000, 0.0166632200000000, 0.0008655500000000 ] - [ 0.0008684000000000, -0.0000996900000000, 0.0004177400000000 ] - [ -0.0002809700000000, 0.0003265300000000, -0.0000534700000000 ] - [ 0.0007127300000000, -0.0004254100000000, 0.0000066100000000 ] - [ 0.0015046000000000, 0.0003994600000000, -0.0005827300000000 ] - [ 0.0022035000000000, -0.0007995900000000, 0.0003593200000000 ] - [ 0.0005926600000000, -0.0024548100000000, -0.0006671200000000 ] - [ 0.0008555900000000, -0.0017805500000000, -0.0005720900000000 ] - [ 0.0016087400000000, 0.0005220600000000, 0.0003933600000000 ] - [ 0.0014865900000000, 0.0000050300000000, -0.0001860800000000 ] - [ -0.0021127300000000, -0.0005261100000000, -0.0005259500000000 ] - [ -0.0000465200000000, -0.0003001000000000, 0.0001944200000000 ] - [ -0.0007234400000000, -0.0008560900000000, 0.0001926900000000 ] - [ 0.0019956500000000, 0.0003713500000000, 0.0000922600000000 ] - [ 0.0005081900000000, -0.0021633300000000, -0.0001656200000000 ] - [ -0.0004848300000000, -0.0005668800000000, -0.0005974300000000 ] - [ 0.0004515800000000, -0.0006397800000000, 0.0001880700000000 ] - [ -0.0017252200000000, -0.0004069600000000, 0.0003056000000000 ] - [ 0.0002717800000000, -0.0011774800000000, 0.0002955000000000 ] - [ -0.0018889300000000, 0.0009392800000000, -0.0006715900000000 ] - [ 0.0005496200000000, -0.0002951100000000, -0.0005809000000000 ] - [ 0.0030162200000000, -0.0042927600000000, 0.0044337900000000 ] - [ -0.0193465800000000, 0.0331817900000000, 0.0007904000000000 ] - [ 0.0005521500000000, -0.0003022400000000, -0.0006100800000000 ] - [ -0.0013048300000000, -0.0020138400000000, -0.0001799000000000 ] - [ 0.0006063600000000, -0.0010175400000000, -0.0006867000000000 ] - [ 0.0011305200000000, -0.0006585100000000, 0.0001254300000000 ] - [ 0.0003049700000000, 0.0017031100000000, -0.0005729700000000 ] - [ 0.0010708300000000, 0.0011594000000000, -0.0004645000000000 ] - [ 0.0021874700000000, 0.0027071900000000, -0.0008127400000000 ] - [ 0.0004856100000000, -0.0004421200000000, 0.0001369200000000 ] - [ 0.0007902300000000, 0.0012793200000000, 0.0001886300000000 ] - [ 0.0005944700000000, -0.0007691600000000, 0.0004107300000000 ] - [ -0.0000417300000000, -0.0001213600000000, 0.0001020500000000 ] - [ 0.0000035300000000, 0.0001075700000000, -0.0000435600000000 ] - [ 0.0003210000000000, 0.0000711000000000, -0.0000136100000000 ] - [ -0.0001951100000000, 0.0006641200000000, -0.0000560300000000 ] - [ -0.0009513500000000, 0.0011542900000000, -0.0003983400000000 ] - [ -0.0011592100000000, 0.0002521100000000, 0.0001003800000000 ] - [ -0.0013036100000000, 0.0001516200000000, -0.0001703700000000 ] - [ -0.0000070500000000, 0.0003450400000000, 0.0000983800000000 ] - [ -0.0000359900000000, -0.0004628100000000, -0.0000401400000000 ] - [ 0.0001300500000000, 0.0017493100000000, 0.0009655100000000 ] - [ 0.0001395400000000, 0.0002715900000000, 0.0000458700000000 ] - [ 0.0004153900000000, 0.0007393900000000, 0.0000525800000000 ] - [ 0.0000937400000000, 0.0009602200000000, -0.0003123900000000 ] - [ -0.0022127400000000, 0.0075555600000000, -0.0013807900000000 ] - [ 0.0001075800000000, 0.0002940300000000, -0.0000375500000000 ] - [ -0.0010631900000000, 0.0005049600000000, -0.0002565500000000 ] - [ 0.0001118500000000, 0.0006697800000000, -0.0000910300000000 ] - [ 0.0019160600000000, -0.0005777800000000, -0.0000865400000000 ] - [ 0.0014773900000000, 0.0023960000000000, 0.0003416500000000 ] - [ 0.0002938100000000, 0.0001849800000000, -0.0000440400000000 ] - [ 0.0293835500000000, -0.0420194300000000, -0.0027645800000000 ] - [ 0.0004750300000000, 0.0003072500000000, 0.0000572400000000 ] - [ -0.0001495000000000, -0.0087277100000000, -0.0044012400000000 ] - [ -0.0001515300000000, 0.0003832500000000, -0.0001526000000000 ] - [ -0.0014623400000000, -0.0006289700000000, -0.0004669000000000 ] - [ -0.0003926500000000, 0.0000452700000000, -0.0000344700000000 ] - [ -0.0002223200000000, -0.0006600500000000, -0.0005614600000000 ] - [ -0.0005443600000000, 0.0014951600000000, 0.0000840900000000 ] - [ -0.0000544600000000, -0.0001579900000000, 0.0000748800000000 ] - [ -0.0000804300000000, -0.0001149000000000, 0.0000663900000000 ] - [ -0.0004935800000000, 0.0004766300000000, 0.0000501200000000 ] - [ 0.0026367800000000, -0.0011726000000000, 0.0004188000000000 ] - [ -0.0002069600000000, 0.0009222600000000, -0.0003697500000000 ] - [ -0.0003051300000000, 0.0002523100000000, 0.0000744500000000 ] - [ -0.0007019900000000, -0.0000052800000000, 0.0000555300000000 ] - [ -0.0004009800000000, -0.0000533200000000, -0.0001753500000000 ] - [ -0.0003898300000000, 0.0005283100000000, -0.0003683600000000 ] - [ -0.0004878000000000, 0.0012684000000000, 0.0000004500000000 ] - [ -0.0004466600000000, 0.0000370000000000, 0.0000277500000000 ] - [ -0.0001436000000000, -0.0003071100000000, 0.0000690000000000 ] - [ -0.0005699200000000, 0.0010093900000000, 0.0002300800000000 ] - [ 0.0013340000000000, 0.0021107800000000, -0.0074964300000000 ] - [ -0.0002898900000000, 0.0001625600000000, 0.0001265100000000 ] - [ -0.0001410400000000, 0.0010496600000000, -0.0002365100000000 ] - [ -0.0005891000000000, 0.0000047400000000, -0.0002855300000000 ] - [ -0.0003211400000000, 0.0003833000000000, 0.0007783500000000 ] - [ 0.0002638800000000, 0.0000685500000000, -0.0001130400000000 ] - [ -0.0012291900000000, -0.0004725000000000, 0.0004801800000000 ] - [ -0.0002336900000000, 0.0012880800000000, 0.0001112900000000 ] - [ -0.0051609900000000, -0.0038392900000000, 0.0066976100000000 ] - [ -0.0010032500000000, -0.0000591400000000, 0.0006931400000000 ] - [ 0.0009292700000000, 0.0020426400000000, -0.0009458200000000 ] - [ 0.0032423100000000, -0.0000651700000000, -0.0160681400000000 ] - [ 0.0004894600000000, 0.0040229300000000, 0.0179815000000000 ] - [ -0.0024110000000000, 0.0006706700000000, -0.0008486200000000 ] - [ 0.0009728100000000, -0.0003270500000000, 0.0001407200000000 ] - [ -0.0001740300000000, -0.0002792500000000, -0.0002076200000000 ] - [ -0.0002433300000000, 0.0005637300000000, -0.0001585100000000 ] - [ -0.0001722500000000, -0.0000011600000000, 0.0008020000000000 ] - [ 0.0009358400000000, 0.0004671900000000, 0.0001914300000000 ] - [ 0.0032533200000000, -0.0033596600000000, 0.0030769000000000 ] - [ 0.0006422100000000, -0.0005630200000000, -0.0001030100000000 ] - [ -0.0003822200000000, 0.0001205000000000, -0.0002179500000000 ] - [ -0.0010919600000000, -0.0002391100000000, 0.0002057800000000 ] - [ -0.0004981400000000, -0.0004155800000000, 0.0008333500000000 ] - [ -0.0021499700000000, 0.0011386300000000, 0.0004540600000000 ] - [ -0.0005736600000000, -0.0010211200000000, 0.0006691000000000 ] - [ -0.0004189300000000, 0.0003270100000000, -0.0000988900000000 ] - [ -0.0001738500000000, -0.0004416800000000, -0.0000428300000000 ] - [ 0.0010081000000000, 0.0003856100000000, -0.0003811900000000 ] - [ 0.0011504500000000, 0.0004593000000000, -0.0009390300000000 ] - [ 0.0007683300000000, 0.0008246200000000, 0.0001729900000000 ] - [ 0.0005839900000000, 0.0004744300000000, 0.0000831500000000 ] - [ 0.0000825600000000, 0.0006833400000000, 0.0000027300000000 ] - [ -0.0008865200000000, -0.0017613900000000, -0.0001082300000000 ] - [ -0.0002364100000000, 0.0000059500000000, -0.0000606900000000 ] - [ 0.0000042600000000, -0.0002600100000000, -0.0000776800000000 ] - [ 0.0004531200000000, 0.0012956900000000, -0.0005217000000000 ] - [ 0.0005894200000000, 0.0013871300000000, -0.0002200200000000 ] - [ 0.0003402000000000, -0.0000300700000000, -0.0000892400000000 ] - [ -0.0003993200000000, 0.0000419400000000, 0.0000099400000000 ] - [ 0.0005468900000000, -0.0001389900000000, -0.0000586900000000 ] - [ -0.0005462800000000, 0.0006680400000000, 0.0001980000000000 ] - [ -0.0004850100000000, -0.0004369600000000, -0.0000782300000000 ] - [ 0.0003081100000000, 0.0005226300000000, -0.0000016700000000 ] - [ 0.0000648700000000, -0.0003335100000000, 0.0000422600000000 ] - [ 0.0003352000000000, 0.0001705100000000, -0.0002398600000000 ] - [ -0.0001454000000000, -0.0006281400000000, 0.0001231800000000 ] - [ -0.0011980200000000, 0.0002465400000000, -0.0001743700000000 ] - [ -0.0000027900000000, 0.0011589100000000, 0.0007976600000000 ] - [ -0.0008405900000000, -0.0000425600000000, 0.0002099700000000 ] - [ -0.0003562400000000, 0.0002741900000000, 0.0000035500000000 ] - [ -0.0008638100000000, 0.0004986000000000, 0.0001755200000000 ] - [ -0.0010962100000000, -0.0010735100000000, 0.0001870700000000 ]- atom: 95 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0002686600000000, 0.0005569700000000, 0.0001231100000000 ] - [ 0.0001899700000000, 0.0002621600000000, 0.0000733300000000 ] - [ 0.0001579600000000, 0.0000994600000000, 0.0002347500000000 ] - [ -0.0003865400000000, 0.0002110600000000, 0.0002386000000000 ] - [ -0.0004924700000000, 0.0006022400000000, 0.0000023100000000 ] - [ 0.0016288700000000, -0.0002188700000000, 0.0001343600000000 ] - [ -0.0005406200000000, 0.0003182400000000, -0.0000592000000000 ] - [ -0.0001479600000000, 0.0004848000000000, 0.0000903900000000 ] - [ -0.0004738200000000, 0.0000397100000000, 0.0000421300000000 ] - [ -0.0003875500000000, 0.0007391900000000, 0.0002455700000000 ] - [ 0.0007786900000000, 0.0003660600000000, 0.0000307800000000 ] - [ -0.0003773100000000, 0.0000334700000000, 0.0000376200000000 ] - [ 0.0002302900000000, 0.0003233700000000, 0.0000482900000000 ] - [ -0.0003635500000000, -0.0016135400000000, 0.0004264200000000 ] - [ -0.0002048100000000, -0.0001888100000000, 0.0002371900000000 ] - [ 0.0004138400000000, 0.0003742500000000, 0.0002361000000000 ] - [ -0.0003460800000000, -0.0002998900000000, 0.0001040300000000 ] - [ 0.0024683000000000, -0.0021663200000000, -0.0000169300000000 ] - [ -0.0001238200000000, 0.0000533100000000, 0.0000144700000000 ] - [ -0.0003634900000000, -0.0001664300000000, 0.0001203800000000 ] - [ 0.0002595800000000, 0.0000025100000000, 0.0000199000000000 ] - [ -0.0020220300000000, 0.0017674800000000, -0.0000006900000000 ] - [ 0.0018138400000000, -0.0003311600000000, 0.0001576800000000 ] - [ -0.0005082000000000, 0.0004407600000000, 0.0000281200000000 ] - [ -0.0003889200000000, -0.0007008700000000, -0.0002425300000000 ] - [ -0.0008469900000000, -0.0000260600000000, 0.0000150700000000 ] - [ 0.0020845300000000, 0.0013758800000000, -0.0002496900000000 ] - [ -0.0004462700000000, -0.0008046200000000, 0.0000575200000000 ] - [ -0.0013325900000000, 0.0062353500000000, 0.0028078000000000 ] - [ -0.0004731500000000, 0.0002213600000000, -0.0000755000000000 ] - [ -0.0007793000000000, 0.0001316700000000, -0.0000991300000000 ] - [ 0.0012967800000000, -0.0012821500000000, 0.0002658800000000 ] - [ -0.0001771200000000, -0.0008637800000000, 0.0004402500000000 ] - [ -0.0012259400000000, 0.0013708600000000, -0.0002491200000000 ] - [ 0.0007418500000000, 0.0011664900000000, -0.0000141400000000 ] - [ -0.0011745300000000, 0.0011287900000000, -0.0001637600000000 ] - [ -0.0005668000000000, 0.0011333600000000, 0.0004107100000000 ] - [ -0.0003623500000000, 0.0006842300000000, -0.0000380900000000 ] - [ 0.0005079400000000, 0.0008468500000000, 0.0004001300000000 ] - [ -0.0013404200000000, -0.0007707100000000, -0.0004505400000000 ] - [ 0.0050436000000000, 0.0029470700000000, -0.0010783100000000 ] - [ 0.0089735700000000, -0.0172912200000000, -0.0007237200000000 ] - [ -0.0008215300000000, 0.0000929200000000, 0.0003866000000000 ] - [ 0.0018911200000000, 0.0002327000000000, -0.0000498100000000 ] - [ -0.0002858200000000, 0.0005003900000000, -0.0000497300000000 ] - [ -0.0013606500000000, 0.0008746600000000, 0.0000873500000000 ] - [ -0.0023656000000000, 0.0003850400000000, -0.0003963100000000 ] - [ 0.0004554500000000, 0.0016922300000000, 0.0001741400000000 ] - [ -0.0005920300000000, 0.0007476600000000, -0.0005641500000000 ] - [ 0.0000487000000000, -0.0001552500000000, 0.0002814900000000 ] - [ -0.0016921300000000, 0.0006157100000000, -0.0010980100000000 ] - [ 0.0032736100000000, -0.0007540700000000, 0.0012173000000000 ] - [ 0.0007194200000000, -0.0002410500000000, 0.0001685700000000 ] - [ 0.0005839200000000, 0.0000282400000000, 0.0001591000000000 ] - [ -0.0031538100000000, 0.0008702400000000, 0.0005746200000000 ] - [ 0.0002065300000000, 0.0020381200000000, -0.0011084400000000 ] - [ 0.0002220600000000, 0.0016037900000000, -0.0005387400000000 ] - [ -0.0003127000000000, 0.0014701200000000, 0.0001650400000000 ] - [ 0.0009548600000000, 0.0001028900000000, 0.0000462200000000 ] - [ -0.0007756900000000, -0.0004351500000000, 0.0003760400000000 ] - [ 0.0008318000000000, -0.0006540000000000, -0.0004682600000000 ] - [ -0.0012970100000000, -0.0004709300000000, -0.0005557200000000 ] - [ -0.0019796900000000, 0.0040182900000000, -0.0055306600000000 ] - [ 0.0186299300000000, -0.0339984000000000, -0.0031588200000000 ] - [ -0.0003446600000000, -0.0003263200000000, -0.0006650500000000 ] - [ 0.0006285300000000, 0.0025578300000000, 0.0005387300000000 ] - [ -0.0013159200000000, 0.0011486900000000, -0.0005797900000000 ] - [ -0.0006272100000000, 0.0022771500000000, 0.0005495100000000 ] - [ 0.0004475300000000, -0.0009281100000000, -0.0005617300000000 ] - [ -0.0006462800000000, -0.0006005400000000, -0.0008053700000000 ] - [ -0.0038258900000000, -0.0030685000000000, 0.0014895900000000 ] - [ 0.0002832600000000, 0.0007492300000000, 0.0002138500000000 ] - [ -0.0001763900000000, -0.0009732800000000, -0.0000133300000000 ] - [ 0.0001264600000000, 0.0011231600000000, -0.0001542000000000 ] - [ 0.0009039400000000, 0.0003884300000000, 0.0001531900000000 ] - [ -0.0007893300000000, 0.0003403900000000, 0.0001128500000000 ] - [ -0.0001628000000000, -0.0002234700000000, -0.0000298800000000 ] - [ 0.0003827100000000, -0.0003832600000000, -0.0000610100000000 ] - [ 0.0010179500000000, -0.0006673500000000, 0.0000609500000000 ] - [ 0.0000618600000000, -0.0002968700000000, -0.0000954000000000 ] - [ 0.0005896200000000, 0.0001044500000000, 0.0001294700000000 ] - [ -0.0005629100000000, 0.0000323900000000, 0.0000717900000000 ] - [ 0.0006577600000000, -0.0005146700000000, 0.0000663200000000 ] - [ -0.0015329200000000, -0.0008529500000000, -0.0016906800000000 ] - [ 0.0004307300000000, -0.0006485800000000, 0.0001245000000000 ] - [ -0.0004390500000000, 0.0001667900000000, 0.0000155200000000 ] - [ 0.0010019700000000, -0.0009148200000000, 0.0003235100000000 ] - [ 0.0020338200000000, -0.0071411900000000, 0.0012528000000000 ] - [ -0.0002959000000000, -0.0005758800000000, -0.0000809600000000 ] - [ 0.0011480000000000, -0.0001276600000000, -0.0001773700000000 ] - [ -0.0000569600000000, -0.0004604000000000, 0.0000488300000000 ] - [ -0.0016936200000000, 0.0000808700000000, 0.0001830800000000 ] - [ -0.0009325500000000, -0.0022172600000000, -0.0004644600000000 ] - [ -0.0000798700000000, -0.0001306500000000, -0.0000005700000000 ] - [ -0.0286276800000000, 0.0422509000000000, 0.0046998500000000 ] - [ -0.0005294600000000, -0.0005206100000000, -0.0000993100000000 ] - [ -0.0003162600000000, 0.0090509800000000, 0.0039940800000000 ] - [ 0.0005860800000000, -0.0007662900000000, 0.0000272200000000 ] - [ -0.0000084600000000, -0.0001239800000000, -0.0002389600000000 ] - [ 0.0002789800000000, -0.0006068500000000, -0.0000970300000000 ] - [ 0.0001067100000000, 0.0013792600000000, 0.0005270400000000 ] - [ 0.0007509200000000, -0.0006191300000000, 0.0001737800000000 ] - [ 0.0000134200000000, -0.0005228000000000, 0.0000945000000000 ] - [ -0.0005298200000000, -0.0001886100000000, 0.0001069300000000 ] - [ -0.0000754100000000, -0.0009637100000000, -0.0000893600000000 ] - [ -0.0019709000000000, 0.0005629400000000, -0.0001632600000000 ] - [ 0.0002908000000000, 0.0007266000000000, -0.0003363900000000 ] - [ -0.0000113900000000, -0.0007068100000000, 0.0000235800000000 ] - [ -0.0000863000000000, -0.0004492700000000, 0.0000166800000000 ] - [ -0.0000548900000000, -0.0001373200000000, -0.0001613400000000 ] - [ 0.0008469800000000, -0.0003360200000000, 0.0000347200000000 ] - [ 0.0008042300000000, -0.0008162000000000, 0.0000960700000000 ] - [ 0.0004699800000000, -0.0009438100000000, 0.0000403500000000 ] - [ 0.0006939400000000, 0.0002559400000000, 0.0000296600000000 ] - [ -0.0000949300000000, -0.0005787900000000, 0.0000191200000000 ] - [ -0.0020305600000000, -0.0024618500000000, 0.0077041800000000 ] - [ 0.0000845800000000, -0.0010390500000000, 0.0001296400000000 ] - [ -0.0000151600000000, -0.0008980200000000, 0.0001942500000000 ] - [ 0.0011182400000000, 0.0009805300000000, 0.0002937200000000 ] - [ 0.0004211200000000, -0.0005092000000000, 0.0008400600000000 ] - [ 0.0000819800000000, -0.0001349400000000, -0.0001510500000000 ] - [ 0.0011583000000000, 0.0003582700000000, -0.0004611900000000 ] - [ 0.0001412800000000, -0.0009930200000000, -0.0003931300000000 ] - [ 0.0066405600000000, 0.0046206500000000, -0.0074285400000000 ] - [ 0.0009489800000000, -0.0000792400000000, 0.0009188500000000 ] - [ -0.0001371800000000, -0.0024890600000000, 0.0010061700000000 ] - [ -0.0037985600000000, -0.0008943500000000, 0.0161722200000000 ] - [ -0.0003737100000000, -0.0047286200000000, -0.0178500300000000 ] - [ 0.0017519200000000, -0.0000610100000000, 0.0010959000000000 ] - [ -0.0001861600000000, 0.0007789200000000, -0.0000695200000000 ] - [ 0.0004612300000000, 0.0000146000000000, -0.0002293200000000 ] - [ 0.0006142400000000, -0.0004472700000000, -0.0002767400000000 ] - [ 0.0002291300000000, 0.0001430500000000, 0.0008068700000000 ] - [ -0.0011500900000000, -0.0005232300000000, -0.0002346900000000 ] - [ -0.0031876400000000, 0.0035071800000000, -0.0030501300000000 ] - [ -0.0004866300000000, 0.0002594900000000, -0.0000178900000000 ] - [ 0.0000108200000000, -0.0002365000000000, -0.0002160300000000 ] - [ 0.0011608300000000, 0.0001175800000000, -0.0001917800000000 ] - [ 0.0003492200000000, 0.0003941400000000, 0.0007783000000000 ] - [ 0.0019298900000000, -0.0006393200000000, -0.0003497000000000 ] - [ 0.0002780700000000, 0.0012877900000000, -0.0011243500000000 ] - [ 0.0005530000000000, -0.0003321200000000, 0.0001161100000000 ] - [ -0.0001675500000000, 0.0004569600000000, -0.0000814100000000 ] - [ -0.0013515500000000, -0.0003206600000000, 0.0001169800000000 ] - [ -0.0012357900000000, -0.0008256300000000, 0.0004989700000000 ] - [ -0.0001041900000000, -0.0012585500000000, 0.0000758200000000 ] - [ -0.0005422800000000, 0.0002053500000000, 0.0000858600000000 ] - [ 0.0001327200000000, -0.0004294000000000, -0.0002705500000000 ] - [ 0.0003335500000000, 0.0018105500000000, 0.0002049900000000 ] - [ 0.0005758600000000, -0.0000229400000000, -0.0000613600000000 ] - [ -0.0005457900000000, 0.0000784000000000, -0.0000491300000000 ] - [ -0.0005236800000000, -0.0017787000000000, 0.0001940400000000 ] - [ -0.0000222800000000, -0.0009014200000000, 0.0001817100000000 ] - [ -0.0002461600000000, -0.0002657300000000, -0.0001920200000000 ] - [ 0.0003230000000000, 0.0000870500000000, 0.0000083800000000 ] - [ -0.0004331000000000, 0.0006996300000000, -0.0000732200000000 ] - [ 0.0004111400000000, -0.0006659400000000, -0.0001827600000000 ] - [ 0.0008632800000000, 0.0001382000000000, -0.0002533300000000 ] - [ -0.0007429000000000, -0.0001390700000000, -0.0001230900000000 ] - [ 0.0006454100000000, 0.0000806100000000, -0.0000849000000000 ] - [ -0.0005509800000000, -0.0004250300000000, -0.0000283800000000 ] - [ 0.0001157900000000, -0.0001725900000000, 0.0001286800000000 ] - [ 0.0005652100000000, 0.0007465800000000, 0.0002076900000000 ] - [ -0.0001006700000000, -0.0010383000000000, 0.0008222900000000 ] - [ 0.0007585600000000, -0.0016068000000000, -0.0009217600000000 ] - [ 0.0017454400000000, -0.0011735400000000, -0.0007094200000000 ] - [ 0.0008897300000000, 0.0003014100000000, 0.0000754200000000 ] - [ 0.0002220300000000, 0.0008034200000000, 0.0000663400000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000192500000000, 0.0000151300000000, 0.0002108500000000 ] - [ -0.0000094200000000, -0.0000385300000000, -0.0000388800000000 ] - [ 0.0000314900000000, 0.0000310700000000, 0.0003494500000000 ] - [ -0.0000637200000000, -0.0000792800000000, 0.0001355500000000 ] - [ -0.0001429700000000, -0.0001355900000000, -0.0005739300000000 ] - [ 0.0000073700000000, -0.0002361800000000, -0.0024798100000000 ] - [ -0.0004791600000000, 0.0000920700000000, -0.0028748400000000 ] - [ 0.0000348000000000, -0.0000176000000000, -0.0000208900000000 ] - [ -0.0000018700000000, 0.0000140200000000, 0.0001597900000000 ] - [ -0.0000138600000000, -0.0000652100000000, 0.0005017300000000 ] - [ 0.0001341200000000, 0.0000011800000000, 0.0006230000000000 ] - [ -0.0000165400000000, 0.0000216400000000, -0.0000776800000000 ] - [ -0.0000067000000000, -0.0000305000000000, 0.0001627400000000 ] - [ 0.0004445800000000, 0.0005174600000000, -0.0037318600000000 ] - [ -0.0001317400000000, 0.0000002400000000, 0.0003814600000000 ] - [ -0.0000644200000000, -0.0000197600000000, -0.0001106200000000 ] - [ -0.0000571100000000, 0.0000182800000000, 0.0005123700000000 ] - [ -0.0003821600000000, 0.0002478700000000, 0.0036960000000000 ] - [ -0.0000376300000000, 0.0001719600000000, -0.0000794500000000 ] - [ 0.0000170000000000, 0.0000751300000000, -0.0002187100000000 ] - [ 0.0001442800000000, -0.0001090300000000, -0.0000667500000000 ] - [ 0.0002526600000000, -0.0003343400000000, 0.0040805700000000 ] - [ 0.0002878200000000, -0.0003637000000000, 0.0023609000000000 ] - [ -0.0001736700000000, 0.0000795000000000, 0.0001160900000000 ] - [ -0.0003533700000000, -0.0005864700000000, -0.0004004100000000 ] - [ -0.0002437800000000, 0.0002133200000000, 0.0001194500000000 ] - [ 0.0013588200000000, 0.0006354700000000, 0.0007963900000000 ] - [ 0.0009284600000000, 0.0002979700000000, -0.0006375900000000 ] - [ 0.0035493700000000, -0.0113659700000000, 0.0081604300000000 ] - [ -0.0000987300000000, -0.0010931400000000, -0.0001609900000000 ] - [ -0.0008435500000000, -0.0002960100000000, 0.0000368800000000 ] - [ -0.0019642200000000, -0.0001361400000000, -0.0006364700000000 ] - [ 0.0007469300000000, 0.0008007300000000, -0.0003191600000000 ] - [ -0.0003919400000000, 0.0001759900000000, -0.0003826100000000 ] - [ 0.0001460800000000, 0.0007365900000000, 0.0000704800000000 ] - [ -0.0006505400000000, 0.0003331300000000, -0.0002747400000000 ] - [ 0.0000206900000000, -0.0000074000000000, 0.0002799200000000 ] - [ -0.0005470000000000, 0.0007076000000000, -0.0003106900000000 ] - [ 0.0001312700000000, 0.0001725700000000, 0.0005791200000000 ] - [ -0.0080126000000000, 0.0016528500000000, -0.0060885200000000 ] - [ 0.0094899100000000, 0.0117288400000000, -0.0038081400000000 ] - [ -0.0277932800000000, -0.0151582500000000, 0.1346128600000000 ] - [ -0.0001882800000000, 0.0000466500000000, 0.0005502300000000 ] - [ 0.0006331400000000, -0.0000745200000000, -0.0004715900000000 ] - [ 0.0001862200000000, -0.0000136200000000, 0.0000601900000000 ] - [ 0.0010514500000000, -0.0004811100000000, 0.0006623000000000 ] - [ -0.0015399200000000, 0.0004720200000000, 0.0006988700000000 ] - [ 0.0013315600000000, -0.0024665400000000, 0.0004529900000000 ] - [ 0.0000907200000000, -0.0004828800000000, -0.0007226800000000 ] - [ 0.0008122800000000, 0.0002556800000000, 0.0004821800000000 ] - [ -0.0014635600000000, 0.0012573300000000, 0.0008725700000000 ] - [ -0.0028391900000000, -0.0157504600000000, -0.0044887700000000 ] - [ 0.0001594000000000, -0.0006539100000000, -0.0000128800000000 ] - [ -0.0001219500000000, -0.0005066400000000, 0.0003268100000000 ] - [ 0.0012352900000000, 0.0006188100000000, 0.0015683400000000 ] - [ -0.0006618900000000, 0.0016169200000000, 0.0003536600000000 ] - [ -0.0002463500000000, 0.0001038000000000, -0.0002775900000000 ] - [ -0.0000250500000000, 0.0006200400000000, 0.0000265900000000 ] - [ -0.0002311200000000, 0.0000242500000000, -0.0002490600000000 ] - [ -0.0002522500000000, -0.0008274200000000, 0.0004286300000000 ] - [ 0.0018109500000000, 0.0006274600000000, -0.0019566200000000 ] - [ -0.0001717700000000, -0.0003775200000000, -0.0003671800000000 ] - [ -0.0068239200000000, 0.0099078600000000, 0.0049674800000000 ] - [ 0.0492644500000000, 0.0306043200000000, 0.2268386300000000 ] - [ 0.0002310500000000, -0.0002862900000000, -0.0008413100000000 ] - [ -0.0004093100000000, -0.0016225600000000, 0.0011627500000000 ] - [ -0.0005844000000000, 0.0002589700000000, -0.0007494800000000 ] - [ 0.0005929600000000, 0.0005497400000000, -0.0002527300000000 ] - [ -0.0004387700000000, -0.0010928100000000, -0.0015488700000000 ] - [ -0.0003566100000000, 0.0005814800000000, -0.0013469000000000 ] - [ 0.0075789500000000, 0.0042698700000000, -0.0067444200000000 ] - [ 0.0003528700000000, 0.0001005100000000, 0.0002714600000000 ] - [ 0.0001495000000000, 0.0002585600000000, -0.0009929600000000 ] - [ -0.0002165700000000, 0.0003293000000000, 0.0001757500000000 ] - [ 0.0003921700000000, 0.0001174300000000, 0.0000946500000000 ] - [ -0.0009898200000000, -0.0003171200000000, 0.0001521200000000 ] - [ 0.0000731800000000, -0.0000793200000000, -0.0000249600000000 ] - [ 0.0000959200000000, 0.0001367900000000, 0.0000987600000000 ] - [ 0.0004410800000000, -0.0001581600000000, -0.0000644900000000 ] - [ -0.0004545000000000, -0.0000403100000000, -0.0000285600000000 ] - [ 0.0002431200000000, -0.0000176600000000, -0.0001502800000000 ] - [ -0.0002698000000000, 0.0002343500000000, -0.0000547300000000 ] - [ 0.0003142700000000, -0.0005200300000000, 0.0000106900000000 ] - [ -0.0015374000000000, 0.0047376300000000, -0.0002502000000000 ] - [ 0.0002867700000000, -0.0001769700000000, 0.0002659700000000 ] - [ 0.0000644500000000, 0.0005617400000000, 0.0000077500000000 ] - [ 0.0010286100000000, -0.0007132500000000, -0.0000696200000000 ] - [ 0.0004818400000000, -0.0009496300000000, -0.0071546800000000 ] - [ -0.0000937200000000, -0.0001002800000000, -0.0003329000000000 ] - [ 0.0000421600000000, 0.0000899000000000, -0.0013499100000000 ] - [ 0.0000531200000000, 0.0002059000000000, -0.0000482000000000 ] - [ 0.0026094100000000, 0.0020769000000000, 0.0003880700000000 ] - [ 0.0009272300000000, 0.0035902900000000, -0.0008129000000000 ] - [ 0.0002060300000000, 0.0001130700000000, -0.0000138000000000 ] - [ -0.0303843600000000, -0.0219157000000000, -0.4678546600000000 ] - [ -0.0000528100000000, -0.0001639700000000, 0.0000371700000000 ] - [ 0.0207253800000000, 0.0062521500000000, 0.0110339400000000 ] - [ 0.0002483000000000, -0.0002563300000000, -0.0000453000000000 ] - [ -0.0008418000000000, -0.0003849700000000, -0.0003199100000000 ] - [ 0.0000004200000000, -0.0003081400000000, -0.0000885100000000 ] - [ 0.0007647500000000, 0.0001016300000000, 0.0001871100000000 ] - [ 0.0002126600000000, 0.0002850300000000, 0.0001582400000000 ] - [ -0.0000055800000000, -0.0003234600000000, -0.0000142300000000 ] - [ -0.0002771900000000, -0.0001045600000000, 0.0003301000000000 ] - [ -0.0002543800000000, -0.0002987000000000, -0.0000204600000000 ] - [ -0.0035254600000000, -0.0017801800000000, 0.0004720300000000 ] - [ 0.0001023500000000, 0.0008489500000000, -0.0003524800000000 ] - [ -0.0001652300000000, -0.0002588000000000, 0.0000197900000000 ] - [ -0.0004321000000000, -0.0002040800000000, 0.0000196400000000 ] - [ -0.0002488100000000, -0.0001178400000000, -0.0001335300000000 ] - [ 0.0004498000000000, -0.0002610600000000, -0.0004092800000000 ] - [ 0.0000224400000000, 0.0003666500000000, 0.0000897900000000 ] - [ -0.0000125900000000, -0.0004154700000000, 0.0000499000000000 ] - [ 0.0003236300000000, -0.0000348800000000, 0.0000277100000000 ] - [ -0.0003539400000000, 0.0002810200000000, 0.0001424200000000 ] - [ 0.0022700300000000, -0.0151654000000000, 0.0106533700000000 ] - [ -0.0001382500000000, -0.0002778600000000, 0.0001030300000000 ] - [ -0.0001188100000000, -0.0002943600000000, -0.0000066000000000 ] - [ 0.0007046100000000, 0.0004389800000000, 0.0000090200000000 ] - [ 0.0000836000000000, -0.0000798100000000, 0.0009974900000000 ] - [ 0.0001228700000000, -0.0000437100000000, -0.0000972200000000 ] - [ -0.0006729800000000, -0.0002598800000000, -0.0002962000000000 ] - [ -0.0002425900000000, 0.0008257000000000, -0.0000450400000000 ] - [ -0.0176277600000000, -0.0003414900000000, 0.0114371100000000 ] - [ -0.0000387100000000, -0.0000601700000000, -0.0003588000000000 ] - [ 0.0007640900000000, -0.0033609300000000, -0.0005455700000000 ] - [ 0.0009820600000000, -0.0194873200000000, 0.0304765800000000 ] - [ -0.0065610400000000, 0.0206183900000000, 0.0203767700000000 ] - [ 0.0026052300000000, -0.0010963500000000, -0.0001425800000000 ] - [ 0.0006111700000000, 0.0007718000000000, 0.0001584700000000 ] - [ 0.0001735200000000, -0.0001517500000000, -0.0003663300000000 ] - [ 0.0002202800000000, -0.0000147000000000, 0.0002644000000000 ] - [ 0.0000552800000000, 0.0000550100000000, 0.0009927200000000 ] - [ 0.0001908100000000, 0.0004465700000000, -0.0000848500000000 ] - [ 0.0072127700000000, 0.0132378400000000, 0.0214912200000000 ] - [ 0.0000008600000000, -0.0002167000000000, 0.0013972800000000 ] - [ -0.0001675700000000, -0.0000410800000000, -0.0003128100000000 ] - [ -0.0027524100000000, 0.0004815000000000, 0.0009388900000000 ] - [ -0.0001177500000000, -0.0000719200000000, 0.0013588600000000 ] - [ -0.0025664200000000, 0.0019295000000000, -0.0007621900000000 ] - [ -0.0000517200000000, -0.0007605900000000, 0.0071258800000000 ] - [ 0.0000278200000000, 0.0000286500000000, -0.0000127700000000 ] - [ -0.0001784000000000, 0.0000991400000000, 0.0009434200000000 ] - [ -0.0005726000000000, -0.0002457100000000, -0.0002401200000000 ] - [ -0.0010522200000000, 0.0008487500000000, 0.0071064900000000 ] - [ 0.0004750500000000, 0.0005424100000000, 0.0000870600000000 ] - [ 0.0000196500000000, 0.0003624200000000, 0.0004945000000000 ] - [ 0.0001280800000000, 0.0000801500000000, -0.0001540600000000 ] - [ -0.0023659800000000, -0.0020537600000000, 0.0006278900000000 ] - [ 0.0001785200000000, -0.0000195600000000, -0.0002702100000000 ] - [ 0.0002099000000000, 0.0001926800000000, 0.0000265900000000 ] - [ -0.0002486900000000, -0.0032374600000000, -0.0008508200000000 ] - [ 0.0003219400000000, -0.0003445400000000, -0.0000164800000000 ] - [ 0.0000936400000000, 0.0000063100000000, -0.0001821000000000 ] - [ 0.0000614400000000, 0.0000062300000000, -0.0000266300000000 ] - [ -0.0000550800000000, 0.0000117000000000, 0.0000084500000000 ] - [ -0.0005406500000000, 0.0003650600000000, 0.0001981100000000 ] - [ 0.0004651200000000, -0.0001808800000000, -0.0000798500000000 ] - [ -0.0002515100000000, 0.0001746000000000, -0.0000761400000000 ] - [ 0.0000039800000000, -0.0002483700000000, 0.0000310900000000 ] - [ -0.0000182300000000, 0.0000331000000000, -0.0001088800000000 ] - [ 0.0004585800000000, -0.0000997100000000, 0.0001875100000000 ] - [ 0.0019450900000000, -0.0012273400000000, 0.0001795700000000 ] - [ -0.0000136900000000, 0.0001695200000000, -0.0003543700000000 ] - [ -0.0002563200000000, -0.0002867800000000, -0.0002935300000000 ] - [ 0.0002055100000000, -0.0002728400000000, -0.0003459700000000 ] - [ -0.0003098500000000, 0.0005905300000000, 0.0000313500000000 ] - [ 0.0019818900000000, 0.0009910400000000, 0.0008050100000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000276800000000, 0.0000177200000000, 0.0000156200000000 ] - [ 0.0000090300000000, 0.0000378300000000, 0.0001624200000000 ] - [ 0.0000806800000000, 0.0001175300000000, 0.0001086700000000 ] - [ -0.0000481200000000, -0.0000692300000000, 0.0003227500000000 ] - [ -0.0001487100000000, -0.0000717400000000, 0.0006070900000000 ] - [ 0.0001705700000000, 0.0002108100000000, 0.0029390200000000 ] - [ 0.0004667700000000, -0.0000862600000000, 0.0029796300000000 ] - [ 0.0000117000000000, -0.0000148600000000, 0.0002475500000000 ] - [ 0.0000011700000000, -0.0000145300000000, -0.0000532300000000 ] - [ 0.0000863700000000, -0.0001022600000000, -0.0000420000000000 ] - [ 0.0001577700000000, 0.0002020900000000, -0.0005904500000000 ] - [ 0.0000178000000000, -0.0000203500000000, 0.0001303700000000 ] - [ 0.0000075100000000, 0.0000311200000000, -0.0000393000000000 ] - [ -0.0004789100000000, -0.0005449000000000, 0.0039578200000000 ] - [ -0.0000538200000000, 0.0000204800000000, 0.0000777700000000 ] - [ -0.0000072700000000, 0.0001909300000000, 0.0005708200000000 ] - [ 0.0000528300000000, -0.0000740100000000, -0.0002870300000000 ] - [ 0.0004683900000000, -0.0002224200000000, -0.0034740600000000 ] - [ 0.0000052600000000, 0.0001852300000000, 0.0001134000000000 ] - [ -0.0000117500000000, -0.0000190200000000, 0.0004447100000000 ] - [ 0.0001820300000000, -0.0000430700000000, 0.0001017300000000 ] - [ -0.0002464400000000, 0.0003235700000000, -0.0040287200000000 ] - [ -0.0002462200000000, 0.0000191000000000, -0.0023289500000000 ] - [ -0.0001523300000000, 0.0000723200000000, -0.0000812400000000 ] - [ 0.0002177600000000, -0.0006919900000000, -0.0001003700000000 ] - [ -0.0000228300000000, 0.0001439500000000, -0.0001660900000000 ] - [ -0.0000568900000000, -0.0017312200000000, -0.0009084500000000 ] - [ 0.0002406700000000, 0.0002333900000000, 0.0001433900000000 ] - [ -0.0035603500000000, 0.0113953900000000, -0.0072929200000000 ] - [ -0.0002081100000000, -0.0005706100000000, 0.0000525900000000 ] - [ -0.0007558500000000, -0.0002752100000000, -0.0001411100000000 ] - [ 0.0019913300000000, 0.0000876700000000, 0.0014348900000000 ] - [ -0.0007965100000000, -0.0007877400000000, 0.0011224600000000 ] - [ -0.0006568100000000, 0.0005813600000000, -0.0001156800000000 ] - [ 0.0001614800000000, 0.0009269100000000, -0.0001793900000000 ] - [ 0.0002151800000000, -0.0003974100000000, 0.0002355600000000 ] - [ 0.0000004600000000, 0.0000487700000000, 0.0005188600000000 ] - [ -0.0007539800000000, 0.0003888300000000, 0.0002022800000000 ] - [ -0.0001527300000000, -0.0002134100000000, 0.0002199300000000 ] - [ 0.0082985600000000, -0.0020189700000000, 0.0060537000000000 ] - [ -0.0092671200000000, -0.0112761600000000, 0.0038181400000000 ] - [ 0.0290370600000000, 0.0159673400000000, -0.1445930900000000 ] - [ 0.0002390600000000, -0.0000593200000000, 0.0002529400000000 ] - [ 0.0009658400000000, 0.0006464200000000, 0.0003688600000000 ] - [ 0.0002466400000000, 0.0000775600000000, -0.0001024500000000 ] - [ -0.0009138200000000, 0.0017604800000000, -0.0011680400000000 ] - [ 0.0013629400000000, -0.0008865500000000, -0.0007406800000000 ] - [ -0.0002862300000000, 0.0017112500000000, -0.0009566900000000 ] - [ 0.0001805700000000, -0.0005512400000000, -0.0004132000000000 ] - [ 0.0008519000000000, 0.0001221600000000, 0.0001915700000000 ] - [ 0.0012491100000000, -0.0006285700000000, -0.0021434400000000 ] - [ 0.0040248700000000, 0.0145794800000000, 0.0051215700000000 ] - [ 0.0005034000000000, 0.0000958800000000, 0.0003720200000000 ] - [ -0.0000382400000000, -0.0003210400000000, 0.0000231000000000 ] - [ -0.0024008800000000, 0.0006310400000000, -0.0008927100000000 ] - [ 0.0013765300000000, -0.0017346800000000, -0.0016141800000000 ] - [ -0.0000248700000000, 0.0009315400000000, -0.0008595200000000 ] - [ 0.0001862700000000, 0.0002073400000000, 0.0003230900000000 ] - [ -0.0005476400000000, -0.0003121100000000, 0.0005956600000000 ] - [ -0.0002478400000000, -0.0007992200000000, 0.0002422700000000 ] - [ -0.0028640800000000, -0.0003516100000000, 0.0008243900000000 ] - [ -0.0005705100000000, -0.0003936200000000, -0.0007698000000000 ] - [ 0.0078945200000000, -0.0102088900000000, -0.0061674500000000 ] - [ -0.0454607300000000, -0.0284667100000000, -0.2138510700000000 ] - [ -0.0000126300000000, -0.0003428100000000, -0.0004337100000000 ] - [ -0.0002514900000000, 0.0021776400000000, -0.0007988900000000 ] - [ -0.0001324000000000, -0.0001409800000000, -0.0005172000000000 ] - [ -0.0000955400000000, 0.0010757800000000, 0.0009202900000000 ] - [ 0.0011829100000000, 0.0018668300000000, 0.0004145100000000 ] - [ 0.0007729900000000, -0.0000096200000000, 0.0000707000000000 ] - [ -0.0092359700000000, -0.0046431000000000, 0.0074185100000000 ] - [ 0.0004259600000000, 0.0001869900000000, 0.0000767700000000 ] - [ 0.0004645700000000, 0.0000355900000000, 0.0011693800000000 ] - [ 0.0009441800000000, 0.0000259900000000, 0.0000825900000000 ] - [ 0.0004706300000000, 0.0001403000000000, 0.0001700600000000 ] - [ 0.0002047900000000, 0.0007775600000000, -0.0000738500000000 ] - [ 0.0000960400000000, -0.0000752300000000, -0.0000181700000000 ] - [ 0.0000880700000000, 0.0001454400000000, -0.0002191700000000 ] - [ -0.0003795000000000, 0.0006491700000000, -0.0002716700000000 ] - [ -0.0006395000000000, 0.0000020900000000, 0.0000266200000000 ] - [ -0.0009553300000000, 0.0002689300000000, 0.0000968000000000 ] - [ -0.0002950500000000, 0.0001513000000000, 0.0002311400000000 ] - [ 0.0003028500000000, -0.0004596000000000, 0.0000096100000000 ] - [ 0.0001490300000000, -0.0038538300000000, -0.0004430500000000 ] - [ 0.0002781600000000, -0.0002090800000000, -0.0000892700000000 ] - [ -0.0000737600000000, 0.0003483500000000, 0.0000709400000000 ] - [ 0.0000678400000000, 0.0007497400000000, 0.0000629600000000 ] - [ -0.0006218200000000, 0.0011966800000000, 0.0070476500000000 ] - [ -0.0000900300000000, -0.0001821700000000, 0.0002127400000000 ] - [ 0.0000489400000000, 0.0002767300000000, 0.0009181800000000 ] - [ -0.0000025900000000, 0.0000143900000000, 0.0000066200000000 ] - [ -0.0024031200000000, -0.0025817200000000, -0.0002863500000000 ] - [ -0.0003887100000000, -0.0034006200000000, 0.0006691000000000 ] - [ 0.0000142300000000, -0.0000505100000000, -0.0000300800000000 ] - [ 0.0236253400000000, 0.0179025300000000, 0.4644290400000000 ] - [ 0.0000019700000000, -0.0000578100000000, -0.0000783100000000 ] - [ -0.0210303900000000, -0.0059053000000000, -0.0114199600000000 ] - [ 0.0001773300000000, -0.0001222200000000, -0.0000883700000000 ] - [ -0.0006289300000000, -0.0003735000000000, -0.0003928900000000 ] - [ -0.0001145300000000, -0.0002442800000000, -0.0000517900000000 ] - [ -0.0008806200000000, 0.0006182000000000, -0.0002207900000000 ] - [ 0.0000009000000000, 0.0005888700000000, 0.0001084400000000 ] - [ -0.0000456000000000, -0.0003574800000000, 0.0001893000000000 ] - [ -0.0003391000000000, -0.0001910500000000, -0.0001515300000000 ] - [ -0.0003109000000000, -0.0001879900000000, -0.0000295800000000 ] - [ 0.0041705700000000, 0.0011653000000000, -0.0002285500000000 ] - [ -0.0000215600000000, 0.0008051000000000, -0.0003624000000000 ] - [ -0.0001450300000000, -0.0001916800000000, 0.0000639900000000 ] - [ -0.0003669500000000, -0.0002417500000000, 0.0000631400000000 ] - [ -0.0002072000000000, -0.0000773800000000, -0.0002030300000000 ] - [ 0.0000053500000000, 0.0004572600000000, 0.0000703900000000 ] - [ 0.0002884200000000, 0.0000839400000000, -0.0000058400000000 ] - [ 0.0000218100000000, -0.0004954900000000, 0.0000281400000000 ] - [ 0.0002214000000000, -0.0000152300000000, 0.0000579900000000 ] - [ -0.0003135000000000, 0.0001587400000000, 0.0001158300000000 ] - [ -0.0029799200000000, 0.0149335800000000, -0.0104507900000000 ] - [ -0.0000742000000000, -0.0005950000000000, 0.0001635500000000 ] - [ -0.0000494600000000, 0.0004488300000000, -0.0000352300000000 ] - [ -0.0001690400000000, 0.0005397400000000, -0.0000064600000000 ] - [ 0.0000260600000000, -0.0000475500000000, 0.0006262200000000 ] - [ 0.0002202600000000, -0.0000194000000000, -0.0001696500000000 ] - [ 0.0006064600000000, 0.0001426200000000, 0.0003044700000000 ] - [ 0.0001469500000000, -0.0005305300000000, -0.0002400700000000 ] - [ 0.0191852900000000, 0.0010922500000000, -0.0121455900000000 ] - [ -0.0000200700000000, -0.0000900200000000, 0.0019734600000000 ] - [ 0.0000172200000000, 0.0029089400000000, 0.0006345600000000 ] - [ -0.0014186800000000, 0.0182069000000000, -0.0300222800000000 ] - [ 0.0066137800000000, -0.0210549900000000, -0.0201716400000000 ] - [ -0.0032649300000000, 0.0017170000000000, 0.0004173800000000 ] - [ 0.0001869300000000, -0.0003262400000000, -0.0000773500000000 ] - [ 0.0001051900000000, -0.0001114900000000, -0.0000659200000000 ] - [ 0.0001456600000000, 0.0001232400000000, -0.0006923000000000 ] - [ -0.0000007000000000, 0.0000946800000000, 0.0006214400000000 ] - [ -0.0004120800000000, -0.0005085500000000, 0.0000408800000000 ] - [ -0.0072287300000000, -0.0132615200000000, -0.0217483100000000 ] - [ 0.0001524800000000, -0.0000849400000000, -0.0015211100000000 ] - [ -0.0001965800000000, -0.0000681600000000, -0.0001154300000000 ] - [ 0.0028313000000000, -0.0006076700000000, -0.0009237700000000 ] - [ -0.0000405000000000, 0.0000433900000000, 0.0002593600000000 ] - [ 0.0023348900000000, -0.0014277000000000, 0.0008405900000000 ] - [ -0.0002283500000000, 0.0010247200000000, -0.0075675200000000 ] - [ 0.0001045500000000, -0.0000323200000000, 0.0000277500000000 ] - [ -0.0001604000000000, -0.0000857200000000, -0.0010669400000000 ] - [ 0.0002291000000000, 0.0003081500000000, -0.0000245300000000 ] - [ 0.0009483400000000, -0.0012526700000000, -0.0075386500000000 ] - [ 0.0001934300000000, -0.0009843800000000, 0.0001724500000000 ] - [ 0.0000328800000000, 0.0003199300000000, -0.0003188700000000 ] - [ 0.0000832300000000, 0.0001731000000000, -0.0001168800000000 ] - [ 0.0018231800000000, 0.0021054700000000, -0.0005412500000000 ] - [ 0.0001595100000000, 0.0000051700000000, 0.0001479300000000 ] - [ -0.0007457300000000, -0.0003692400000000, -0.0001610600000000 ] - [ 0.0001839900000000, 0.0027409000000000, 0.0004995300000000 ] - [ 0.0002443300000000, 0.0008318600000000, -0.0000350100000000 ] - [ 0.0000012300000000, -0.0002993800000000, -0.0001021500000000 ] - [ -0.0001355100000000, 0.0001185800000000, 0.0000425100000000 ] - [ 0.0001688400000000, 0.0005412500000000, -0.0001487500000000 ] - [ 0.0004105000000000, -0.0003625300000000, -0.0001815400000000 ] - [ -0.0000793200000000, -0.0001157700000000, -0.0002506300000000 ] - [ -0.0001743700000000, 0.0002035200000000, -0.0000585100000000 ] - [ 0.0007072600000000, -0.0000019800000000, -0.0000842800000000 ] - [ -0.0001933300000000, -0.0002862500000000, -0.0001628000000000 ] - [ -0.0004903600000000, -0.0007049400000000, 0.0000717000000000 ] - [ -0.0025632600000000, 0.0022080300000000, -0.0001633900000000 ] - [ -0.0000930500000000, -0.0000395700000000, 0.0019779600000000 ] - [ 0.0001735200000000, -0.0013662500000000, -0.0004149300000000 ] - [ 0.0011894500000000, -0.0006266900000000, -0.0003680800000000 ] - [ 0.0003405900000000, 0.0002136400000000, 0.0002295200000000 ] - [ -0.0028451000000000, -0.0012496700000000, -0.0005418900000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0007965100000000, -0.0000123300000000, 0.0000789500000000 ] - [ 0.0035984900000000, 0.0008370500000000, 0.0000892200000000 ] - [ -0.0001495500000000, 0.0008241700000000, 0.0003011100000000 ] - [ -0.0022700600000000, -0.0002351000000000, 0.0021898100000000 ] - [ -0.0003729700000000, -0.0008222100000000, 0.0001555900000000 ] - [ 0.0001393400000000, -0.0000736600000000, 0.0002533100000000 ] - [ -0.0009178600000000, 0.0000274600000000, 0.0000761500000000 ] - [ -0.0007694600000000, 0.0000307100000000, 0.0001116900000000 ] - [ 0.0001427100000000, 0.0000628100000000, 0.0000432100000000 ] - [ -0.0002700700000000, -0.0008788600000000, 0.0000724000000000 ] - [ -0.0014838200000000, 0.0003358100000000, 0.0012428300000000 ] - [ 0.0001373500000000, -0.0000769300000000, 0.0000399200000000 ] - [ 0.0031873600000000, -0.0003582400000000, -0.0001100200000000 ] - [ -0.0003135000000000, -0.0008087100000000, -0.0000330100000000 ] - [ 0.0034059300000000, -0.0005464400000000, 0.0013308900000000 ] - [ -0.0020852700000000, 0.0004274700000000, -0.0004388600000000 ] - [ -0.0001598600000000, 0.0007832200000000, -0.0000157100000000 ] - [ -0.0002330100000000, -0.0008873900000000, 0.0004217100000000 ] - [ 0.0040740900000000, -0.0002613100000000, -0.0000336800000000 ] - [ -0.0002009600000000, 0.0009639400000000, 0.0003891000000000 ] - [ -0.0001441900000000, 0.0006663700000000, -0.0001584400000000 ] - [ -0.0009397000000000, -0.0000320800000000, 0.0000049900000000 ] - [ 0.0000627400000000, -0.0001586500000000, 0.0000016600000000 ] - [ -0.0019278300000000, -0.0003701000000000, -0.0012685300000000 ] - [ -0.0001810400000000, 0.0004824900000000, -0.0000927700000000 ] - [ 0.0016129300000000, 0.0013350500000000, -0.0003629400000000 ] - [ 0.0016616400000000, -0.0019092800000000, -0.0003050500000000 ] - [ 0.0024580700000000, -0.0027645100000000, -0.0005456000000000 ] - [ -0.0002654100000000, -0.0010828200000000, 0.0003894200000000 ] - [ -0.0057973800000000, -0.0078352700000000, 0.0048930300000000 ] - [ 0.0024970300000000, -0.0016739800000000, -0.0062307100000000 ] - [ -0.0003537100000000, -0.0021623100000000, -0.0020125500000000 ] - [ -0.0002023400000000, 0.0008890100000000, 0.0004012400000000 ] - [ -0.0015420100000000, -0.0004965900000000, -0.0002541700000000 ] - [ 0.0002215000000000, 0.0032813900000000, 0.0009027200000000 ] - [ -0.0028635200000000, -0.0001943000000000, 0.0002200800000000 ] - [ -0.0014183400000000, -0.0007201900000000, 0.0007360400000000 ] - [ 0.1501587300000000, -0.0364367800000000, 0.0078084000000000 ] - [ -0.0025444800000000, 0.0009926100000000, 0.0007229300000000 ] - [ -0.0008790800000000, 0.0009208900000000, -0.0000260700000000 ] - [ -0.0034031000000000, -0.0000962400000000, -0.0003048500000000 ] - [ -0.0017009300000000, -0.0010231200000000, -0.0003182100000000 ] - [ -0.0018129700000000, 0.0142648600000000, -0.0034609300000000 ] - [ 0.0031855300000000, 0.0021309000000000, 0.0001336300000000 ] - [ -0.0003988900000000, 0.0008461100000000, 0.0000609300000000 ] - [ -0.0017197800000000, 0.0013157800000000, -0.0007188700000000 ] - [ -0.0002023400000000, -0.0011071500000000, 0.0000058900000000 ] - [ -0.0015785600000000, -0.0002620300000000, -0.0000391900000000 ] - [ -0.0031172900000000, -0.0018083000000000, -0.0000404200000000 ] - [ 0.0033149100000000, 0.0035263700000000, -0.0004041800000000 ] - [ -0.0041013200000000, 0.0011677100000000, -0.0014398500000000 ] - [ -0.0017916600000000, -0.0015350300000000, -0.0002903700000000 ] - [ 0.0088114400000000, -0.0008661000000000, -0.0118652100000000 ] - [ -0.0052791400000000, 0.0071555100000000, 0.0014153600000000 ] - [ -0.0008429500000000, -0.0007889200000000, 0.0003411800000000 ] - [ -0.0025707700000000, 0.0001164200000000, -0.0007243300000000 ] - [ -0.0018270900000000, 0.0012677900000000, -0.0003041400000000 ] - [ 0.0007325700000000, -0.0025394200000000, 0.0018004500000000 ] - [ 0.0008166900000000, 0.0014961800000000, -0.0000614700000000 ] - [ -0.0014369400000000, 0.0001790300000000, 0.0003771700000000 ] - [ -0.0036623100000000, -0.0142382700000000, -0.0043150300000000 ] - [ -0.0003761800000000, 0.0015801300000000, -0.0031638300000000 ] - [ 0.0002701200000000, -0.0011889700000000, -0.0005942800000000 ] - [ -0.0013088000000000, -0.0014958200000000, -0.0004533100000000 ] - [ 0.0001041700000000, 0.0006956500000000, -0.0005551900000000 ] - [ 0.0024231400000000, -0.0023248600000000, -0.0005263600000000 ] - [ -0.0010523000000000, -0.0008598400000000, -0.0006166800000000 ] - [ -0.0021665600000000, 0.0007508500000000, 0.0006458500000000 ] - [ 0.0001825000000000, 0.0015832300000000, -0.0005441900000000 ] - [ 0.0023409500000000, -0.0011839400000000, -0.0009671500000000 ] - [ -0.0020553400000000, 0.0005877700000000, 0.0004993900000000 ] - [ 0.1700078700000000, 0.0382288100000000, 0.0873022400000000 ] - [ -0.0003378700000000, 0.0011076200000000, 0.0005096200000000 ] - [ -0.0013392200000000, 0.0050254000000000, -0.0000948200000000 ] - [ -0.0005109500000000, -0.0016670900000000, 0.0007369300000000 ] - [ 0.0192517900000000, 0.0110785400000000, -0.0021672400000000 ] - [ 0.0089517500000000, -0.0152165600000000, -0.0044180500000000 ] - [ 0.0010732000000000, 0.0006107100000000, -0.0005704200000000 ] - [ 0.0001639300000000, 0.0008188200000000, -0.0002781400000000 ] - [ 0.0000216400000000, 0.0000555000000000, -0.0001631900000000 ] - [ 0.0033394000000000, -0.0027477300000000, 0.0002267800000000 ] - [ 0.0004349900000000, -0.0020517900000000, -0.0020335200000000 ] - [ 0.0001720600000000, -0.0010998200000000, 0.0001526900000000 ] - [ 0.0005679700000000, 0.0002433900000000, -0.0000762200000000 ] - [ 0.0008293100000000, 0.0016965900000000, -0.0025801100000000 ] - [ 0.0010115100000000, -0.0001975100000000, 0.0000165200000000 ] - [ 0.0027833600000000, 0.0001016700000000, 0.0004341900000000 ] - [ 0.0000334900000000, 0.0006427400000000, -0.0000295100000000 ] - [ 0.0008241700000000, -0.0005369100000000, -0.0004013200000000 ] - [ 0.0001556600000000, 0.0007449900000000, -0.0002873400000000 ] - [ 0.0115492200000000, 0.0198957200000000, 0.0059142700000000 ] - [ 0.0015121000000000, 0.0003984100000000, 0.0001417400000000 ] - [ -0.0000005700000000, 0.0011897300000000, -0.0000451900000000 ] - [ -0.0069392500000000, 0.0001154000000000, 0.0035900400000000 ] - [ 0.0006214800000000, 0.0004331600000000, 0.0007600100000000 ] - [ -0.0012028400000000, -0.0017282200000000, -0.0002828800000000 ] - [ 0.0007366700000000, 0.0002469900000000, -0.0000302100000000 ] - [ 0.0010375000000000, 0.0007328400000000, -0.0004312400000000 ] - [ -0.0027813600000000, -0.0006108300000000, -0.0007458600000000 ] - [ 0.0322053200000000, -0.0118360700000000, 0.0105330900000000 ] - [ -0.0009549300000000, 0.0020672500000000, 0.0002838400000000 ] - [ 0.0015796000000000, 0.0003870300000000, 0.0001439600000000 ] - [ -0.0027169300000000, 0.0013103200000000, 0.0179433900000000 ] - [ 0.0081014500000000, -0.0044523800000000, 0.0174121700000000 ] - [ 0.0005143000000000, 0.0005201800000000, -0.0000832200000000 ] - [ 0.0040952900000000, 0.0028931300000000, 0.0002441700000000 ] - [ 0.0001075900000000, 0.0001807800000000, -0.0002660200000000 ] - [ 0.0009055900000000, -0.0013635700000000, -0.0000274200000000 ] - [ -0.0012331000000000, -0.0010593100000000, 0.0008208700000000 ] - [ -0.0001556900000000, -0.0008291500000000, -0.0002264000000000 ] - [ 0.0021538200000000, 0.0001292100000000, -0.0002578300000000 ] - [ 0.0013498800000000, 0.0002282700000000, 0.0002289600000000 ] - [ 0.0036162600000000, 0.0011692000000000, -0.0004572700000000 ] - [ -0.0020113700000000, -0.0048620200000000, 0.0002951600000000 ] - [ 0.0008798500000000, 0.0015103100000000, 0.0001766200000000 ] - [ -0.0002580500000000, 0.0003926000000000, 0.0001705000000000 ] - [ 0.0007979800000000, -0.0012402700000000, -0.0000342900000000 ] - [ -0.0014484900000000, 0.0016353500000000, -0.0004146300000000 ] - [ 0.0000161500000000, 0.0012380400000000, 0.0002294400000000 ] - [ 0.0004765000000000, 0.0002335100000000, 0.0007831200000000 ] - [ -0.4001861100000000, -0.0006235500000000, -0.1322947500000000 ] - [ -0.0000143000000000, 0.0014677100000000, -0.0001664200000000 ] - [ -0.0006960400000000, 0.0037919500000000, -0.0002074300000000 ] - [ 0.0017106100000000, 0.0003833100000000, -0.0005211600000000 ] - [ 0.0010531000000000, -0.0005506000000000, 0.0014898800000000 ] - [ 0.0004138900000000, 0.0006375900000000, -0.0000096500000000 ] - [ 0.0010764800000000, 0.0004204500000000, -0.0002409200000000 ] - [ 0.0003111300000000, 0.0003875100000000, -0.0001091100000000 ] - [ -0.0001393100000000, 0.0008518700000000, 0.0002124800000000 ] - [ 0.0002751600000000, -0.0007119300000000, 0.0000150200000000 ] - [ -0.0009731100000000, -0.0007696000000000, 0.0003161200000000 ] - [ 0.0015037900000000, 0.0001015200000000, -0.0004911400000000 ] - [ -0.0000160200000000, -0.0004691100000000, 0.0006980700000000 ] - [ -0.0024090400000000, 0.0000950200000000, -0.0003445900000000 ] - [ 0.0009497200000000, 0.0010713100000000, 0.0003088500000000 ] - [ 0.0008379200000000, 0.0027441400000000, 0.0031120800000000 ] - [ 0.0001900400000000, -0.0004517500000000, -0.0002552200000000 ] - [ 0.0010035100000000, -0.0009487800000000, 0.0002141700000000 ] - [ -0.0007670700000000, 0.0009532700000000, 0.0012109000000000 ] - [ 0.0001574600000000, 0.0008874300000000, 0.0001202200000000 ] - [ 0.0003080200000000, -0.0001608700000000, -0.0002574800000000 ] - [ 0.0009788700000000, 0.0000166200000000, 0.0001240400000000 ] - [ -0.0000991900000000, -0.0004590300000000, -0.0000807800000000 ] - [ -0.0013206000000000, -0.0000325700000000, 0.0002267900000000 ] - [ 0.0012472500000000, 0.0001766300000000, 0.0003056700000000 ] - [ 0.0015030400000000, -0.0003142700000000, 0.0003214200000000 ] - [ -0.0006463200000000, -0.0002383800000000, 0.0001653700000000 ] - [ -0.0000836400000000, 0.0014447300000000, 0.0010436500000000 ] - [ -0.0001441100000000, -0.0004735200000000, 0.0000264400000000 ] - [ 0.0004609100000000, -0.0025764400000000, 0.0037454000000000 ] - [ -0.0018300100000000, 0.0013744600000000, 0.0019793600000000 ] - [ 0.0020063900000000, -0.0007543300000000, -0.0003132900000000 ] - [ 0.0016657700000000, 0.0003782600000000, -0.0000673400000000 ] - [ -0.0005041600000000, -0.0016597400000000, 0.0022090200000000 ] - [ -0.0001339700000000, -0.0013247700000000, -0.0000108600000000 ] - [ -0.0000170600000000, -0.0005195400000000, -0.0001221900000000 ] - [ 0.0018564300000000, 0.0001447100000000, -0.0003653700000000 ] - [ -0.0014654100000000, -0.0001978000000000, 0.0000854800000000 ] - [ 0.0029053800000000, -0.0013369000000000, -0.0002580300000000 ] - [ 0.0004549300000000, -0.0006480600000000, 0.0000213500000000 ] - [ -0.0004562800000000, -0.0039453500000000, 0.0007415100000000 ] - [ 0.0001516100000000, -0.0010091800000000, 0.0001716600000000 ] - [ 0.0013630800000000, -0.0005458700000000, -0.0003982800000000 ] - [ 0.0010254400000000, -0.0000054100000000, 0.0006295300000000 ] - [ 0.0010140500000000, -0.0007357900000000, -0.0002493400000000 ] - [ 0.0006877800000000, 0.0002079000000000, -0.0002403500000000 ] - [ 0.0010051300000000, -0.0002689900000000, 0.0002743400000000 ] - [ -0.0002559200000000, -0.0009759600000000, 0.0000268700000000 ]- atom: 121 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0007481200000000, 0.0000465100000000, 0.0001480200000000 ] - [ -0.0035897200000000, -0.0008551100000000, 0.0000421400000000 ] - [ 0.0002611800000000, -0.0006755700000000, 0.0001576500000000 ] - [ 0.0021594900000000, 0.0000906900000000, -0.0017431100000000 ] - [ 0.0000785600000000, 0.0006156400000000, -0.0001220700000000 ] - [ 0.0000453100000000, 0.0000504000000000, 0.0002063300000000 ] - [ 0.0009169500000000, -0.0000269400000000, 0.0000304400000000 ] - [ 0.0008151400000000, -0.0000623100000000, 0.0001148900000000 ] - [ -0.0001430300000000, -0.0000624700000000, 0.0000640300000000 ] - [ 0.0003413300000000, 0.0007100100000000, 0.0003876700000000 ] - [ 0.0017733400000000, -0.0001277400000000, -0.0012026500000000 ] - [ -0.0001363200000000, 0.0000792800000000, 0.0000131200000000 ] - [ -0.0031805900000000, 0.0003462100000000, 0.0002300100000000 ] - [ 0.0002624100000000, 0.0007827900000000, 0.0002585500000000 ] - [ -0.0035731000000000, 0.0005851700000000, -0.0008832900000000 ] - [ 0.0020063900000000, -0.0002556300000000, 0.0008953100000000 ] - [ 0.0001529500000000, -0.0008400500000000, 0.0002424800000000 ] - [ 0.0002851600000000, 0.0009078200000000, -0.0001939500000000 ] - [ -0.0040884600000000, 0.0006038600000000, 0.0000570500000000 ] - [ 0.0002033700000000, -0.0009086100000000, -0.0001648400000000 ] - [ 0.0004704300000000, -0.0008180600000000, 0.0001933400000000 ] - [ 0.0009376600000000, 0.0000304100000000, 0.0000487900000000 ] - [ -0.0000300700000000, -0.0002003200000000, 0.0000324600000000 ] - [ 0.0015972500000000, 0.0005284000000000, 0.0013108700000000 ] - [ 0.0000432600000000, -0.0017588300000000, -0.0004075200000000 ] - [ -0.0018826200000000, -0.0009720300000000, 0.0003180200000000 ] - [ -0.0003593300000000, 0.0008059300000000, 0.0001974800000000 ] - [ -0.0012818300000000, 0.0032940900000000, 0.0000452200000000 ] - [ 0.0002479800000000, 0.0011240900000000, 0.0004129400000000 ] - [ 0.0054753100000000, 0.0061626300000000, -0.0049945700000000 ] - [ -0.0041054000000000, 0.0010928100000000, 0.0060704300000000 ] - [ 0.0003784700000000, 0.0021131300000000, 0.0028017200000000 ] - [ 0.0001520500000000, -0.0008779000000000, 0.0004021700000000 ] - [ 0.0004913800000000, 0.0012540700000000, -0.0002441200000000 ] - [ 0.0000902100000000, -0.0016134700000000, -0.0010108700000000 ] - [ 0.0024311600000000, 0.0001355000000000, -0.0002633400000000 ] - [ 0.0014329900000000, 0.0007645200000000, 0.0000627000000000 ] - [ -0.1422075800000000, 0.0344737100000000, -0.0071405600000000 ] - [ 0.0025213400000000, -0.0010303500000000, 0.0000763700000000 ] - [ 0.0011449100000000, -0.0012804900000000, -0.0000205400000000 ] - [ 0.0035694100000000, 0.0005106500000000, 0.0002664500000000 ] - [ 0.0005297300000000, 0.0004881800000000, -0.0001804700000000 ] - [ 0.0018370300000000, -0.0143370700000000, 0.0042844900000000 ] - [ -0.0015794200000000, -0.0015603100000000, -0.0002382300000000 ] - [ 0.0008305600000000, -0.0007801900000000, -0.0001025000000000 ] - [ 0.0018516500000000, -0.0000362800000000, 0.0002209800000000 ] - [ 0.0000252600000000, 0.0006909300000000, -0.0000423700000000 ] - [ 0.0026245800000000, -0.0004932900000000, -0.0004581800000000 ] - [ 0.0033819900000000, 0.0007769600000000, -0.0010954400000000 ] - [ -0.0016509400000000, -0.0031381100000000, 0.0010785600000000 ] - [ 0.0038920000000000, -0.0005411300000000, 0.0001705100000000 ] - [ 0.0029587600000000, 0.0002884800000000, 0.0009565300000000 ] - [ -0.0080926000000000, 0.0003053700000000, 0.0121871500000000 ] - [ 0.0051183800000000, -0.0079819200000000, -0.0010648100000000 ] - [ -0.0003282600000000, 0.0020309300000000, 0.0003287900000000 ] - [ 0.0032825000000000, -0.0002306600000000, -0.0005415200000000 ] - [ 0.0015548000000000, -0.0002301300000000, -0.0008312100000000 ] - [ -0.0005801600000000, 0.0033528200000000, -0.0014546700000000 ] - [ -0.0015914800000000, -0.0017859200000000, 0.0004106800000000 ] - [ 0.0009351400000000, -0.0018035300000000, 0.0002939800000000 ] - [ 0.0026051800000000, 0.0144431300000000, 0.0031606200000000 ] - [ -0.0003905400000000, -0.0023345600000000, 0.0020388400000000 ] - [ 0.0007852300000000, 0.0009056800000000, -0.0005432600000000 ] - [ 0.0008911200000000, 0.0009203000000000, -0.0008163900000000 ] - [ 0.0001116700000000, -0.0013224400000000, -0.0007202100000000 ] - [ -0.0030832900000000, 0.0028783800000000, 0.0008850900000000 ] - [ 0.0003336300000000, 0.0009780500000000, -0.0006497700000000 ] - [ 0.0026635300000000, 0.0008789500000000, 0.0000231000000000 ] - [ 0.0005600700000000, -0.0008144600000000, -0.0005920900000000 ] - [ -0.0019119200000000, 0.0017549600000000, -0.0003049000000000 ] - [ 0.0003893100000000, -0.0009668500000000, 0.0001739900000000 ] - [ -0.1769689700000000, -0.0407906800000000, -0.0935298800000000 ] - [ 0.0009532700000000, -0.0008094600000000, -0.0003313400000000 ] - [ 0.0020476700000000, -0.0046572000000000, 0.0003544400000000 ] - [ 0.0013790600000000, 0.0019211700000000, -0.0004753700000000 ] - [ -0.0197871700000000, -0.0105193400000000, 0.0021762900000000 ] - [ -0.0087858000000000, 0.0149816900000000, 0.0043491800000000 ] - [ -0.0008866800000000, -0.0003294200000000, 0.0004508700000000 ] - [ -0.0001013100000000, -0.0003278800000000, -0.0000583900000000 ] - [ -0.0011149400000000, -0.0000941500000000, 0.0001611700000000 ] - [ -0.0040621700000000, 0.0030176300000000, -0.0002783600000000 ] - [ -0.0010004700000000, 0.0024339900000000, 0.0022057700000000 ] - [ 0.0004465100000000, 0.0001175800000000, -0.0001314500000000 ] - [ -0.0019639400000000, 0.0006536400000000, -0.0006375400000000 ] - [ -0.0002571100000000, -0.0020810300000000, 0.0027591100000000 ] - [ -0.0010220100000000, 0.0011065600000000, 0.0000625000000000 ] - [ -0.0016880300000000, -0.0000640800000000, -0.0004353000000000 ] - [ -0.0001904400000000, -0.0003390400000000, -0.0000910500000000 ] - [ -0.0010078900000000, 0.0002529400000000, 0.0002804600000000 ] - [ -0.0000660200000000, -0.0003761400000000, -0.0001432200000000 ] - [ -0.0114721500000000, -0.0198149400000000, -0.0060540100000000 ] - [ -0.0012917600000000, -0.0008924600000000, -0.0000537000000000 ] - [ 0.0005352500000000, -0.0010084100000000, -0.0000896300000000 ] - [ 0.0071263800000000, -0.0000489200000000, -0.0036331700000000 ] - [ -0.0004660600000000, -0.0004029700000000, 0.0008573500000000 ] - [ 0.0011465800000000, 0.0015059000000000, 0.0002406200000000 ] - [ -0.0011221800000000, 0.0000511000000000, -0.0003005200000000 ] - [ -0.0006041700000000, -0.0011081200000000, 0.0002975900000000 ] - [ 0.0013069500000000, -0.0001489600000000, 0.0000338400000000 ] - [ -0.0329384400000000, 0.0114546100000000, -0.0108622700000000 ] - [ 0.0008320100000000, -0.0013463000000000, -0.0003237200000000 ] - [ -0.0013646700000000, 0.0004831600000000, 0.0001233600000000 ] - [ 0.0028191400000000, -0.0019955800000000, -0.0176213200000000 ] - [ -0.0086386900000000, 0.0040823400000000, -0.0170809100000000 ] - [ -0.0010781900000000, -0.0010069700000000, 0.0000333900000000 ] - [ -0.0034265700000000, -0.0034901800000000, 0.0000192300000000 ] - [ -0.0000264800000000, 0.0014721600000000, -0.0004483200000000 ] - [ -0.0012150300000000, 0.0009108600000000, 0.0001115700000000 ] - [ 0.0004525800000000, 0.0005967800000000, -0.0007315800000000 ] - [ -0.0003000400000000, 0.0006328900000000, -0.0001097500000000 ] - [ -0.0017025800000000, 0.0000642400000000, -0.0000793400000000 ] - [ -0.0010370100000000, 0.0002190700000000, -0.0001446600000000 ] - [ -0.0035964700000000, -0.0020804800000000, 0.0005352100000000 ] - [ 0.0025736300000000, 0.0048111900000000, -0.0002050600000000 ] - [ -0.0015455800000000, -0.0010703100000000, 0.0000818200000000 ] - [ -0.0004702700000000, -0.0007413000000000, 0.0000919800000000 ] - [ -0.0010098000000000, 0.0003658900000000, 0.0003006400000000 ] - [ 0.0012801600000000, -0.0014743300000000, 0.0003719600000000 ] - [ 0.0005159600000000, -0.0002594700000000, -0.0002292400000000 ] - [ -0.0003664800000000, -0.0003610600000000, 0.0008411500000000 ] - [ 0.3991311900000000, 0.0065815800000000, 0.1380138500000000 ] - [ -0.0000547100000000, -0.0015777700000000, 0.0001817700000000 ] - [ 0.0006007300000000, -0.0034948700000000, -0.0000741600000000 ] - [ -0.0002394200000000, 0.0003756800000000, -0.0001912800000000 ] - [ -0.0011083600000000, 0.0004011500000000, 0.0001206800000000 ] - [ 0.0003720900000000, -0.0010937400000000, 0.0000887500000000 ] - [ -0.0016079600000000, -0.0013977300000000, 0.0002412200000000 ] - [ -0.0001937000000000, -0.0011005700000000, 0.0000664500000000 ] - [ -0.0005149600000000, -0.0002346000000000, 0.0000508300000000 ] - [ 0.0005213300000000, 0.0011603800000000, 0.0000680300000000 ] - [ 0.0012524200000000, 0.0005026700000000, -0.0007492400000000 ] - [ -0.0011397300000000, 0.0000064800000000, 0.0000646400000000 ] - [ 0.0000713400000000, 0.0006182000000000, 0.0009166800000000 ] - [ 0.0021835300000000, -0.0001549100000000, 0.0003017100000000 ] - [ -0.0008806800000000, -0.0009565900000000, -0.0002923600000000 ] - [ -0.0006817900000000, -0.0030320200000000, -0.0032140100000000 ] - [ -0.0005539800000000, 0.0003417200000000, -0.0001729800000000 ] - [ -0.0009286600000000, 0.0008240700000000, -0.0001982400000000 ] - [ 0.0006080500000000, -0.0009800600000000, 0.0004090400000000 ] - [ -0.0003789400000000, -0.0003902300000000, -0.0000331300000000 ] - [ -0.0005866400000000, 0.0004248000000000, -0.0001741200000000 ] - [ -0.0008457700000000, -0.0000208300000000, -0.0001085200000000 ] - [ -0.0002400900000000, 0.0004739200000000, -0.0000410500000000 ] - [ 0.0009742800000000, 0.0000975800000000, -0.0004925100000000 ] - [ -0.0013347500000000, -0.0005442800000000, -0.0007335000000000 ] - [ -0.0008340800000000, -0.0001274300000000, -0.0000624200000000 ] - [ 0.0006951000000000, 0.0009220500000000, 0.0000104600000000 ] - [ 0.0003109100000000, -0.0011741800000000, -0.0012999500000000 ] - [ -0.0004004700000000, 0.0005240000000000, 0.0000592200000000 ] - [ -0.0001111000000000, 0.0025657500000000, -0.0038934000000000 ] - [ 0.0012798200000000, -0.0015482300000000, -0.0021038800000000 ] - [ -0.0020641400000000, 0.0002617700000000, -0.0000236500000000 ] - [ -0.0010988900000000, 0.0001072400000000, 0.0000172100000000 ] - [ 0.0005911200000000, 0.0013638700000000, -0.0024813600000000 ] - [ 0.0000620100000000, 0.0014463600000000, 0.0000262700000000 ] - [ 0.0001285500000000, 0.0010744200000000, -0.0000185300000000 ] - [ -0.0019867400000000, -0.0001422200000000, 0.0003811400000000 ] - [ 0.0018443600000000, -0.0001066100000000, -0.0004194300000000 ] - [ -0.0033330100000000, 0.0017123400000000, 0.0001234400000000 ] - [ 0.0002572900000000, 0.0003980400000000, -0.0000742900000000 ] - [ 0.0002426700000000, 0.0036861100000000, -0.0010098900000000 ] - [ -0.0001820300000000, 0.0002051600000000, 0.0000879200000000 ] - [ -0.0019833700000000, 0.0015268000000000, 0.0004196100000000 ] - [ -0.0011336200000000, 0.0001319200000000, 0.0009935600000000 ] - [ -0.0010953000000000, -0.0009193700000000, -0.0004645600000000 ] - [ 0.0007078400000000, -0.0011059100000000, -0.0004725100000000 ] - [ -0.0009649100000000, 0.0010718800000000, -0.0000141500000000 ] - [ -0.0006054100000000, 0.0007212800000000, 0.0002377200000000 ]- atom: 121 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0003089100000000, 0.0000459300000000, 0.0000949700000000 ] - [ -0.0016143000000000, -0.0024723300000000, 0.0022978400000000 ] - [ 0.0004910400000000, -0.0006711700000000, 0.0001482500000000 ] - [ 0.0012317000000000, 0.0008920400000000, -0.0009511400000000 ] - [ -0.0003905700000000, -0.0001006500000000, 0.0000600500000000 ] - [ 0.0000575800000000, -0.0003816800000000, 0.0002681900000000 ] - [ 0.0004392600000000, 0.0000324300000000, 0.0000309800000000 ] - [ 0.0004382700000000, -0.0000140700000000, 0.0001362800000000 ] - [ -0.0001043700000000, -0.0004971100000000, 0.0000951600000000 ] - [ -0.0001941200000000, -0.0000411800000000, 0.0002039000000000 ] - [ 0.0009438000000000, 0.0007504800000000, -0.0004275400000000 ] - [ -0.0000571500000000, -0.0004392300000000, -0.0000040700000000 ] - [ -0.0014345700000000, -0.0005296200000000, -0.0014533900000000 ] - [ -0.0002378600000000, 0.0001008900000000, 0.0001301000000000 ] - [ -0.0023699100000000, -0.0003705200000000, 0.0021882200000000 ] - [ 0.0012180900000000, 0.0005311100000000, 0.0005816700000000 ] - [ 0.0004128900000000, -0.0006998800000000, 0.0002331500000000 ] - [ -0.0002453600000000, 0.0002011500000000, 0.0000928200000000 ] - [ -0.0023824700000000, 0.0034885900000000, 0.0006981200000000 ] - [ 0.0005394400000000, -0.0007066300000000, -0.0001502300000000 ] - [ 0.0006614400000000, -0.0007579200000000, 0.0002209700000000 ] - [ 0.0004966900000000, 0.0000588700000000, 0.0000586700000000 ] - [ 0.0000209100000000, -0.0005789800000000, -0.0000023000000000 ] - [ 0.0004801500000000, 0.0011314300000000, 0.0006252900000000 ] - [ 0.0005465900000000, -0.0023018100000000, -0.0005116200000000 ] - [ -0.0002540200000000, -0.0013550800000000, 0.0002153700000000 ] - [ -0.0001139800000000, -0.0007817900000000, -0.0002801100000000 ] - [ -0.0009806400000000, -0.0001073900000000, -0.0001882600000000 ] - [ -0.0005138300000000, -0.0003236000000000, 0.0003623600000000 ] - [ -0.0023461600000000, -0.0003272800000000, 0.0013586200000000 ] - [ -0.0027167800000000, 0.0023572400000000, 0.0023689900000000 ] - [ -0.0004478600000000, 0.0018903600000000, 0.0006997700000000 ] - [ 0.0005533500000000, -0.0012166500000000, 0.0004337600000000 ] - [ -0.0002613800000000, 0.0001951200000000, -0.0001819600000000 ] - [ 0.0008049100000000, 0.0001201200000000, -0.0013765100000000 ] - [ 0.0012077600000000, 0.0007447900000000, -0.0001916900000000 ] - [ -0.0000019100000000, 0.0006153300000000, 0.0004160600000000 ] - [ -0.1013367800000000, 0.0447764900000000, -0.0055286500000000 ] - [ 0.0024290100000000, -0.0006078500000000, 0.0000128800000000 ] - [ 0.0007725000000000, -0.0011344300000000, -0.0000513500000000 ] - [ 0.0007232800000000, 0.0007128200000000, 0.0000135700000000 ] - [ -0.0001833500000000, -0.0002759800000000, -0.0001982800000000 ] - [ 0.0037389400000000, -0.0082885100000000, 0.0038184800000000 ] - [ -0.0000833000000000, -0.0021652800000000, -0.0000144800000000 ] - [ 0.0006169900000000, -0.0008326800000000, -0.0001125500000000 ] - [ 0.0015762000000000, 0.0003891200000000, 0.0000872600000000 ] - [ -0.0005965600000000, -0.0005524800000000, -0.0000159400000000 ] - [ 0.0016181000000000, 0.0000056200000000, -0.0003384600000000 ] - [ 0.0001738200000000, -0.0000151600000000, -0.0005175500000000 ] - [ -0.0002999600000000, -0.0042465700000000, 0.0015247500000000 ] - [ 0.0031316000000000, 0.0001902300000000, -0.0000081800000000 ] - [ 0.0011817100000000, -0.0000796500000000, 0.0005150800000000 ] - [ -0.0043954600000000, 0.0030062700000000, 0.0078799600000000 ] - [ 0.0065615900000000, -0.0078581700000000, -0.0009972100000000 ] - [ -0.0010775100000000, 0.0001701400000000, 0.0002909800000000 ] - [ 0.0017035100000000, 0.0005721900000000, -0.0006422500000000 ] - [ 0.0014287400000000, 0.0003595400000000, -0.0008474100000000 ] - [ -0.0009459100000000, 0.0022154100000000, 0.0006333000000000 ] - [ -0.0005489800000000, -0.0019351100000000, 0.0006367900000000 ] - [ 0.0005896800000000, -0.0020879300000000, 0.0003396300000000 ] - [ -0.0020710900000000, 0.0057796400000000, 0.0003352000000000 ] - [ 0.0004321100000000, -0.0007906000000000, 0.0010993100000000 ] - [ 0.0001216900000000, -0.0005115600000000, -0.0006154900000000 ] - [ 0.0001692500000000, -0.0001423100000000, -0.0007242800000000 ] - [ 0.0007645800000000, -0.0017017800000000, -0.0006795600000000 ] - [ -0.0018299100000000, -0.0004712800000000, 0.0000339500000000 ] - [ -0.0001845500000000, 0.0000094100000000, -0.0006245400000000 ] - [ 0.0013924000000000, 0.0014096800000000, 0.0001564700000000 ] - [ 0.0011874800000000, -0.0011419700000000, -0.0005555900000000 ] - [ -0.0019403300000000, -0.0000216200000000, -0.0008921700000000 ] - [ -0.0000289900000000, -0.0010874600000000, 0.0002537000000000 ] - [ -0.0527891000000000, 0.0241364000000000, -0.0207283700000000 ] - [ 0.0008159100000000, 0.0003466100000000, 0.0003177900000000 ] - [ 0.0026045600000000, -0.0010289900000000, 0.0002860300000000 ] - [ 0.0003720700000000, 0.0010667800000000, -0.0000441900000000 ] - [ -0.0034762800000000, -0.0071221600000000, 0.0005543000000000 ] - [ -0.0148740300000000, 0.0139896200000000, 0.0047839900000000 ] - [ 0.0001028600000000, -0.0001085500000000, -0.0001097700000000 ] - [ 0.0000936300000000, 0.0003818100000000, -0.0002009800000000 ] - [ -0.0007737700000000, 0.0002281800000000, 0.0000439300000000 ] - [ -0.0035364600000000, 0.0017624200000000, -0.0002277800000000 ] - [ -0.0015918500000000, 0.0021755100000000, 0.0025776500000000 ] - [ -0.0001043000000000, 0.0006060900000000, -0.0002676800000000 ] - [ -0.0011136600000000, 0.0002886500000000, -0.0003939200000000 ] - [ 0.0010708300000000, -0.0011687800000000, -0.0003992300000000 ] - [ -0.0011482100000000, 0.0006680300000000, 0.0001541900000000 ] - [ -0.0005626400000000, -0.0002745300000000, -0.0002090200000000 ] - [ 0.0001148900000000, 0.0003076900000000, -0.0000055600000000 ] - [ -0.0009473900000000, -0.0000098300000000, 0.0003258800000000 ] - [ 0.0002473700000000, 0.0003527100000000, -0.0002091800000000 ] - [ 0.0122725400000000, -0.0000765300000000, 0.0020414600000000 ] - [ -0.0000945200000000, -0.0008570100000000, 0.0001313700000000 ] - [ 0.0007559600000000, 0.0006975800000000, -0.0000862400000000 ] - [ 0.0037681200000000, -0.0014013100000000, -0.0024001200000000 ] - [ -0.0000608300000000, -0.0000185900000000, 0.0008175500000000 ] - [ 0.0002309000000000, 0.0010451200000000, 0.0000430600000000 ] - [ -0.0006030000000000, 0.0003545000000000, -0.0002504000000000 ] - [ 0.0005049000000000, -0.0006207200000000, -0.0001384600000000 ] - [ 0.0004654200000000, 0.0007150000000000, -0.0002117800000000 ] - [ -0.0266158200000000, 0.0005625500000000, -0.0079695700000000 ] - [ 0.0008214400000000, -0.0004257200000000, -0.0000516400000000 ] - [ -0.0001127700000000, -0.0000122800000000, 0.0001325900000000 ] - [ 0.0017787200000000, -0.0086062500000000, -0.0086249000000000 ] - [ -0.0069318500000000, -0.0017397300000000, -0.0115056100000000 ] - [ -0.0004202400000000, -0.0003691400000000, 0.0000209700000000 ] - [ -0.0000471600000000, -0.0015423600000000, 0.0000333500000000 ] - [ -0.0000291700000000, 0.0018100000000000, -0.0004922300000000 ] - [ -0.0011606200000000, 0.0008232500000000, 0.0001562200000000 ] - [ -0.0002565300000000, -0.0012144700000000, 0.0006566600000000 ] - [ -0.0003775600000000, 0.0008256700000000, -0.0000931000000000 ] - [ -0.0011470700000000, -0.0004539500000000, -0.0001015900000000 ] - [ -0.0002080400000000, -0.0001998100000000, -0.0000352100000000 ] - [ 0.0009007200000000, -0.0010749600000000, 0.0000306500000000 ] - [ 0.0000219500000000, 0.0044960900000000, -0.0009589200000000 ] - [ -0.0003798400000000, 0.0000518500000000, 0.0000541000000000 ] - [ -0.0003454800000000, -0.0000339400000000, 0.0001021300000000 ] - [ -0.0007850000000000, 0.0001728600000000, 0.0002358400000000 ] - [ 0.0009819800000000, -0.0004992300000000, -0.0001049300000000 ] - [ 0.0008754700000000, 0.0009951000000000, 0.0001628600000000 ] - [ -0.0000698600000000, 0.0000365000000000, 0.0007837800000000 ] - [ 0.1940185500000000, -0.0649443100000000, 0.0364053400000000 ] - [ 0.0004866500000000, 0.0003131800000000, -0.0001164900000000 ] - [ 0.0006926600000000, 0.0001852200000000, -0.0003227300000000 ] - [ 0.0002365700000000, 0.0005202000000000, -0.0002733600000000 ] - [ -0.0009229100000000, 0.0001381600000000, 0.0003124600000000 ] - [ 0.0007460200000000, 0.0000915100000000, 0.0000716500000000 ] - [ -0.0006394300000000, -0.0007503300000000, 0.0000683100000000 ] - [ 0.0000567000000000, -0.0002661000000000, 0.0000063800000000 ] - [ 0.0000871200000000, 0.0004089900000000, 0.0001397400000000 ] - [ -0.0000212400000000, 0.0016381900000000, 0.0000438700000000 ] - [ 0.0005168900000000, 0.0008847300000000, -0.0009628000000000 ] - [ -0.0005263000000000, -0.0002336400000000, -0.0000558300000000 ] - [ -0.0002190800000000, 0.0007709000000000, 0.0009573900000000 ] - [ 0.0010235000000000, 0.0009386000000000, 0.0002155400000000 ] - [ -0.0001861300000000, -0.0003088800000000, -0.0000733200000000 ] - [ 0.0006544200000000, -0.0017223600000000, -0.0005539700000000 ] - [ -0.0005118700000000, 0.0004189900000000, -0.0001616600000000 ] - [ -0.0007672200000000, 0.0006149900000000, -0.0001277600000000 ] - [ 0.0006489100000000, 0.0000794300000000, 0.0008423400000000 ] - [ 0.0003477900000000, 0.0003993200000000, 0.0001013400000000 ] - [ -0.0004492100000000, 0.0005015400000000, -0.0001914500000000 ] - [ -0.0003768900000000, 0.0002362600000000, -0.0000409300000000 ] - [ -0.0004740400000000, 0.0006245900000000, -0.0000774000000000 ] - [ 0.0003397400000000, 0.0004882000000000, -0.0002819500000000 ] - [ -0.0003770800000000, -0.0005728300000000, -0.0003265800000000 ] - [ -0.0004793600000000, -0.0005161900000000, 0.0000373400000000 ] - [ 0.0001714100000000, 0.0012491000000000, -0.0002361200000000 ] - [ 0.0000862200000000, -0.0016778400000000, -0.0009444300000000 ] - [ -0.0004015300000000, 0.0007015500000000, 0.0000917600000000 ] - [ -0.0004036800000000, 0.0010644600000000, -0.0028093800000000 ] - [ 0.0007944200000000, -0.0028395600000000, -0.0014905300000000 ] - [ -0.0006733900000000, -0.0004854600000000, -0.0001840700000000 ] - [ -0.0007576100000000, -0.0002507600000000, 0.0000535300000000 ] - [ 0.0002670400000000, -0.0002455800000000, -0.0012605600000000 ] - [ -0.0006997000000000, 0.0021140200000000, 0.0001049900000000 ] - [ -0.0003584300000000, 0.0013671200000000, -0.0001044000000000 ] - [ -0.0010374500000000, -0.0002630700000000, 0.0001987400000000 ] - [ 0.0014394800000000, 0.0010082900000000, 0.0002618800000000 ] - [ -0.0043055900000000, 0.0010554300000000, -0.0001489300000000 ] - [ -0.0001964200000000, 0.0004901100000000, -0.0000393300000000 ] - [ -0.0004998900000000, 0.0033543100000000, -0.0008814800000000 ] - [ -0.0006690900000000, 0.0003546200000000, 0.0000855900000000 ] - [ -0.0015204100000000, 0.0011710100000000, 0.0002967100000000 ] - [ -0.0005774900000000, -0.0001424100000000, 0.0008931700000000 ] - [ -0.0007483200000000, -0.0012010900000000, -0.0005016600000000 ] - [ 0.0007775600000000, -0.0002076000000000, -0.0003548200000000 ] - [ -0.0011450500000000, 0.0005032500000000, -0.0000939000000000 ] - [ -0.0006600600000000, 0.0007745200000000, 0.0002337200000000 ]- atom: 121 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0003675100000000, -0.0000140400000000, 0.0001301200000000 ] - [ 0.0016384500000000, 0.0024713400000000, -0.0021846200000000 ] - [ -0.0003752600000000, 0.0008291300000000, 0.0003109700000000 ] - [ -0.0013539600000000, -0.0010407900000000, 0.0014092900000000 ] - [ 0.0000914200000000, -0.0001008500000000, -0.0000252000000000 ] - [ 0.0001360400000000, 0.0003588500000000, 0.0001904100000000 ] - [ -0.0004404900000000, -0.0000312800000000, 0.0000800000000000 ] - [ -0.0003862000000000, -0.0000175900000000, 0.0000889000000000 ] - [ 0.0001025000000000, 0.0004959700000000, 0.0000163700000000 ] - [ 0.0002671300000000, -0.0001372400000000, 0.0002542200000000 ] - [ -0.0006485600000000, -0.0005581400000000, 0.0004628700000000 ] - [ 0.0000575200000000, 0.0004397600000000, 0.0000641100000000 ] - [ 0.0014569400000000, 0.0005243000000000, 0.0015779500000000 ] - [ 0.0001822500000000, -0.0001335400000000, 0.0000947900000000 ] - [ 0.0021818300000000, 0.0004099300000000, -0.0017301100000000 ] - [ -0.0012981500000000, -0.0003582500000000, -0.0001248200000000 ] - [ -0.0004122000000000, 0.0006394100000000, -0.0000081000000000 ] - [ 0.0002992700000000, -0.0001701900000000, 0.0001315400000000 ] - [ 0.0023588000000000, -0.0029547800000000, -0.0005152400000000 ] - [ -0.0005393700000000, 0.0007721100000000, 0.0003742800000000 ] - [ -0.0003413300000000, 0.0006007000000000, -0.0001871500000000 ] - [ -0.0004994100000000, -0.0000595200000000, 0.0000002800000000 ] - [ 0.0000028900000000, 0.0002216500000000, 0.0000362400000000 ] - [ -0.0008109300000000, -0.0009663500000000, -0.0005905300000000 ] - [ -0.0006961600000000, 0.0010212800000000, 0.0000103000000000 ] - [ -0.0000110700000000, 0.0017053300000000, -0.0002649200000000 ] - [ 0.0014150500000000, -0.0003382100000000, 0.0001693300000000 ] - [ 0.0021564400000000, 0.0006274800000000, -0.0003088700000000 ] - [ 0.0004927900000000, 0.0003610200000000, 0.0004400200000000 ] - [ 0.0019715600000000, -0.0013770200000000, -0.0014272800000000 ] - [ 0.0011090700000000, -0.0029189200000000, -0.0025429300000000 ] - [ 0.0004671000000000, -0.0019346700000000, 0.0001008200000000 ] - [ -0.0005998700000000, 0.0012274300000000, 0.0003698900000000 ] - [ -0.0007913600000000, 0.0005700700000000, -0.0003162800000000 ] - [ -0.0004770300000000, 0.0015423000000000, 0.0012806600000000 ] - [ -0.0016400800000000, -0.0008138800000000, 0.0001483900000000 ] - [ 0.0000075500000000, -0.0005744800000000, 0.0003845500000000 ] - [ 0.1050372300000000, -0.0441944800000000, 0.0058130400000000 ] - [ -0.0024594700000000, 0.0005672000000000, 0.0007896100000000 ] - [ -0.0005013200000000, 0.0007917000000000, 0.0000035300000000 ] - [ -0.0005582800000000, -0.0003008200000000, -0.0000512400000000 ] - [ -0.0009963000000000, -0.0002488900000000, -0.0003007000000000 ] - [ -0.0036825300000000, 0.0083059600000000, -0.0030083700000000 ] - [ 0.0017093900000000, 0.0027331700000000, -0.0000883100000000 ] - [ -0.0001951400000000, 0.0009075000000000, 0.0000700600000000 ] - [ -0.0014334500000000, 0.0008970300000000, -0.0005879500000000 ] - [ 0.0004284200000000, 0.0001350100000000, -0.0000227800000000 ] - [ -0.0005785900000000, -0.0007765000000000, -0.0001586400000000 ] - [ 0.0000739400000000, -0.0010234900000000, -0.0006158200000000 ] - [ 0.0019552400000000, 0.0046088000000000, -0.0008440200000000 ] - [ -0.0033403500000000, 0.0004424300000000, -0.0012661000000000 ] - [ -0.0000277200000000, -0.0011646200000000, 0.0001542600000000 ] - [ 0.0051102700000000, -0.0035503100000000, -0.0075449500000000 ] - [ -0.0067397300000000, 0.0070756500000000, 0.0013539600000000 ] - [ -0.0000839700000000, 0.0010685300000000, 0.0003792600000000 ] - [ -0.0010006300000000, -0.0007059000000000, -0.0006243100000000 ] - [ -0.0017016800000000, 0.0006738600000000, -0.0002863400000000 ] - [ 0.0010883200000000, -0.0014073500000000, -0.0002764800000000 ] - [ -0.0002141100000000, 0.0016352600000000, -0.0002896400000000 ] - [ -0.0011017600000000, 0.0004757800000000, 0.0003326100000000 ] - [ 0.0010138900000000, -0.0054855100000000, -0.0014672500000000 ] - [ -0.0011863900000000, 0.0000438700000000, -0.0022394500000000 ] - [ 0.0009303300000000, 0.0002234500000000, -0.0005231000000000 ] - [ -0.0005922300000000, -0.0004183600000000, -0.0005470700000000 ] - [ -0.0005600300000000, 0.0010751300000000, -0.0005963000000000 ] - [ 0.0011772700000000, 0.0009983700000000, 0.0003242400000000 ] - [ -0.0005313600000000, 0.0001158100000000, -0.0006420600000000 ] - [ -0.0008956900000000, 0.0002086900000000, 0.0005150300000000 ] - [ -0.0004405400000000, 0.0019134800000000, -0.0005815800000000 ] - [ 0.0023601300000000, 0.0005773300000000, -0.0003807800000000 ] - [ -0.0016289100000000, 0.0007238800000000, 0.0004209300000000 ] - [ 0.0541115100000000, -0.0241496900000000, 0.0213041900000000 ] - [ -0.0002084700000000, -0.0000368600000000, -0.0001419100000000 ] - [ -0.0018826100000000, 0.0013862900000000, -0.0000329700000000 ] - [ 0.0004875000000000, -0.0008094400000000, 0.0003026500000000 ] - [ 0.0026719400000000, 0.0075972900000000, -0.0005036400000000 ] - [ 0.0152601100000000, -0.0143409100000000, -0.0049164100000000 ] - [ 0.0000895000000000, 0.0003913700000000, -0.0000110800000000 ] - [ -0.0000262500000000, 0.0001073900000000, -0.0001364800000000 ] - [ -0.0003187200000000, -0.0002729000000000, -0.0000403400000000 ] - [ 0.0028238500000000, -0.0015106100000000, 0.0001854500000000 ] - [ 0.0010301400000000, -0.0018137400000000, -0.0024331700000000 ] - [ 0.0007281000000000, -0.0015844800000000, 0.0002944600000000 ] - [ -0.0002770000000000, 0.0006097600000000, -0.0003142000000000 ] - [ -0.0004942400000000, 0.0007995600000000, 0.0005557300000000 ] - [ 0.0011303800000000, 0.0002395100000000, -0.0000868700000000 ] - [ 0.0016642300000000, 0.0003230500000000, 0.0002160600000000 ] - [ -0.0002694700000000, -0.0000020000000000, -0.0001142400000000 ] - [ 0.0007652500000000, -0.0002709900000000, -0.0004489700000000 ] - [ -0.0001599500000000, 0.0000258300000000, -0.0002257000000000 ] - [ -0.0121562600000000, 0.0003979300000000, -0.0020620400000000 ] - [ 0.0003174500000000, 0.0003573700000000, -0.0000315200000000 ] - [ -0.0002173100000000, -0.0005083100000000, -0.0000419300000000 ] - [ -0.0035866500000000, 0.0014598200000000, 0.0023694800000000 ] - [ 0.0002117300000000, 0.0000409800000000, 0.0007952300000000 ] - [ -0.0002916500000000, -0.0012601000000000, -0.0000856300000000 ] - [ 0.0002206400000000, -0.0000588700000000, -0.0000800000000000 ] - [ -0.0000641100000000, 0.0002431500000000, 0.0000113300000000 ] - [ -0.0019343100000000, -0.0014644500000000, -0.0004954600000000 ] - [ 0.0261963200000000, -0.0011851700000000, 0.0077863800000000 ] - [ -0.0009363900000000, 0.0011474200000000, 0.0000202500000000 ] - [ 0.0003251300000000, 0.0008871200000000, 0.0001254900000000 ] - [ -0.0017306300000000, 0.0078946000000000, 0.0089613200000000 ] - [ 0.0063781700000000, 0.0014529000000000, 0.0117775600000000 ] - [ -0.0001443400000000, -0.0001144500000000, -0.0000609400000000 ] - [ 0.0007077200000000, 0.0009293300000000, 0.0002196400000000 ] - [ 0.0001169900000000, -0.0001617100000000, -0.0002142400000000 ] - [ 0.0008515300000000, -0.0012821600000000, -0.0000600300000000 ] - [ -0.0005268100000000, 0.0007398300000000, -0.0005680500000000 ] - [ -0.0000754500000000, -0.0010177600000000, -0.0002430700000000 ] - [ 0.0016018000000000, 0.0006424400000000, -0.0002353700000000 ] - [ 0.0005273600000000, 0.0006523700000000, 0.0001315800000000 ] - [ -0.0008552600000000, 0.0001726600000000, 0.0000348200000000 ] - [ 0.0005150200000000, -0.0045416300000000, 0.0010519000000000 ] - [ -0.0002785900000000, 0.0003853700000000, 0.0001951100000000 ] - [ -0.0003744700000000, -0.0003182200000000, 0.0001516600000000 ] - [ 0.0005834800000000, -0.0010496100000000, 0.0000199600000000 ] - [ -0.0011473500000000, 0.0006617800000000, 0.0000617900000000 ] - [ -0.0003448400000000, -0.0000059200000000, -0.0001531000000000 ] - [ 0.0001731800000000, -0.0001611400000000, 0.0008344700000000 ] - [ -0.1993113300000000, 0.0656190700000000, -0.0375275000000000 ] - [ -0.0005563100000000, -0.0004239500000000, 0.0001326400000000 ] - [ -0.0007889900000000, 0.0001350100000000, 0.0000392400000000 ] - [ 0.0012321800000000, 0.0002310300000000, -0.0004327600000000 ] - [ 0.0008656000000000, -0.0002830100000000, 0.0012970600000000 ] - [ 0.0000412000000000, -0.0005344800000000, -0.0000027600000000 ] - [ 0.0001122200000000, -0.0002349300000000, -0.0000597800000000 ] - [ 0.0000602800000000, -0.0004520200000000, -0.0000395600000000 ] - [ -0.0007464200000000, 0.0002040500000000, 0.0001142400000000 ] - [ 0.0008067800000000, -0.0011870300000000, 0.0000277800000000 ] - [ -0.0002301300000000, -0.0011499600000000, 0.0005226400000000 ] - [ 0.0008984400000000, 0.0003488300000000, -0.0003776700000000 ] - [ 0.0002772200000000, -0.0006291600000000, 0.0006521200000000 ] - [ -0.0012559800000000, -0.0009923400000000, -0.0002627900000000 ] - [ 0.0002574000000000, 0.0004259400000000, 0.0000899900000000 ] - [ -0.0004980900000000, 0.0014209200000000, 0.0004316700000000 ] - [ 0.0001443700000000, -0.0005355600000000, -0.0002725600000000 ] - [ 0.0008426900000000, -0.0007463100000000, 0.0001457600000000 ] - [ -0.0007978200000000, -0.0000987900000000, 0.0007695300000000 ] - [ -0.0005694300000000, 0.0001050200000000, -0.0000016400000000 ] - [ 0.0001613900000000, -0.0002386900000000, -0.0002459700000000 ] - [ 0.0005174200000000, -0.0002412500000000, 0.0000586400000000 ] - [ 0.0001341600000000, -0.0006093300000000, -0.0000455900000000 ] - [ -0.0006931800000000, -0.0004206600000000, 0.0000201400000000 ] - [ 0.0002910500000000, 0.0001976100000000, -0.0001106100000000 ] - [ 0.0011497000000000, 0.0000875600000000, 0.0002123700000000 ] - [ -0.0001338400000000, -0.0005703700000000, 0.0004079600000000 ] - [ 0.0001381400000000, 0.0019453000000000, 0.0006905600000000 ] - [ -0.0001500200000000, -0.0006535300000000, 0.0000053600000000 ] - [ 0.0007470200000000, -0.0010919900000000, 0.0026848000000000 ] - [ -0.0013441400000000, 0.0026605700000000, 0.0013724800000000 ] - [ 0.0006094300000000, 0.0000011700000000, -0.0001519900000000 ] - [ 0.0013336200000000, 0.0007432400000000, -0.0000938200000000 ] - [ -0.0001811100000000, -0.0000476200000000, 0.0009807600000000 ] - [ 0.0006249200000000, -0.0019837000000000, -0.0000881000000000 ] - [ 0.0004704600000000, -0.0008062900000000, -0.0000276800000000 ] - [ 0.0009078400000000, 0.0002684500000000, -0.0001828500000000 ] - [ -0.0010599800000000, -0.0013005900000000, -0.0005887100000000 ] - [ 0.0039048200000000, -0.0006765500000000, 0.0000267400000000 ] - [ 0.0009099600000000, -0.0007439400000000, -0.0000034800000000 ] - [ 0.0002843200000000, -0.0036341600000000, 0.0006195800000000 ] - [ 0.0006437000000000, -0.0011555400000000, 0.0001666200000000 ] - [ 0.0008958800000000, -0.0001965200000000, -0.0002700600000000 ] - [ 0.0004793900000000, 0.0002703900000000, 0.0007242600000000 ] - [ 0.0006628100000000, -0.0004488400000000, -0.0002049100000000 ] - [ 0.0006119900000000, -0.0006904600000000, -0.0003518400000000 ] - [ 0.0011745300000000, 0.0002915500000000, 0.0003457300000000 ] - [ -0.0002019300000000, -0.0010421700000000, 0.0000212100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002042800000000, -0.0000023200000000, 0.0000942300000000 ] - [ 0.0006854400000000, 0.0028999600000000, -0.0000900100000000 ] - [ 0.0000483300000000, 0.0001775000000000, 0.0001903900000000 ] - [ 0.0002039300000000, -0.0000465900000000, 0.0004600300000000 ] - [ -0.0002006500000000, -0.0002650200000000, 0.0000559100000000 ] - [ 0.0001162500000000, -0.0000221200000000, 0.0002503600000000 ] - [ -0.0001942200000000, 0.0000087700000000, 0.0000719500000000 ] - [ -0.0001611000000000, -0.0000070000000000, 0.0001341200000000 ] - [ 0.0000270900000000, -0.0000207400000000, 0.0000295200000000 ] - [ -0.0000647900000000, -0.0003103900000000, 0.0001941200000000 ] - [ 0.0001403800000000, 0.0000865900000000, -0.0002531600000000 ] - [ 0.0000269300000000, -0.0001162400000000, 0.0000545600000000 ] - [ 0.0008330400000000, -0.0016912900000000, -0.0008448700000000 ] - [ -0.0001430900000000, -0.0001851500000000, 0.0001403900000000 ] - [ 0.0013911700000000, 0.0028293200000000, -0.0011073000000000 ] - [ -0.0009922000000000, 0.0001370000000000, 0.0004046000000000 ] - [ -0.0000134600000000, 0.0001650000000000, 0.0000820400000000 ] - [ -0.0000222300000000, -0.0001103400000000, 0.0000700700000000 ] - [ 0.0004306000000000, 0.0011644200000000, 0.0021841600000000 ] - [ 0.0000804500000000, 0.0001776700000000, 0.0001650600000000 ] - [ 0.0001143800000000, 0.0000746100000000, 0.0000699300000000 ] - [ -0.0001913300000000, -0.0000004700000000, 0.0000067200000000 ] - [ 0.0000368000000000, -0.0001920400000000, -0.0000056900000000 ] - [ -0.0010840800000000, 0.0000189900000000, -0.0001537400000000 ] - [ -0.0000338600000000, -0.0005076000000000, -0.0001827000000000 ] - [ 0.0005754500000000, 0.0003012100000000, -0.0007590000000000 ] - [ 0.0008896800000000, -0.0009145800000000, -0.0002916300000000 ] - [ 0.0006448400000000, -0.0002094000000000, 0.0001802700000000 ] - [ -0.0001084400000000, -0.0002390500000000, 0.0003888900000000 ] - [ -0.0013845000000000, -0.0024503100000000, 0.0021468500000000 ] - [ 0.0005830500000000, -0.0017036600000000, -0.0134960900000000 ] - [ -0.0008564400000000, -0.0013272200000000, -0.0004695300000000 ] - [ -0.0000266500000000, 0.0002045000000000, 0.0004208000000000 ] - [ -0.0007736200000000, 0.0001239600000000, -0.0002259700000000 ] - [ -0.0000609800000000, 0.0021677700000000, -0.0007824300000000 ] - [ -0.0007576700000000, -0.0000105200000000, 0.0000733800000000 ] - [ -0.0003902300000000, -0.0001460600000000, 0.0003960400000000 ] - [ 0.0078466100000000, -0.0014869700000000, 0.0191583400000000 ] - [ -0.0002400300000000, 0.0001171700000000, 0.0003545900000000 ] - [ -0.0000416700000000, 0.0000434200000000, -0.0000055300000000 ] - [ -0.0002580000000000, 0.0000610100000000, 0.0002073500000000 ] - [ -0.0008377200000000, -0.0004553700000000, -0.0003199200000000 ] - [ -0.0007686800000000, 0.0030112600000000, 0.0008498900000000 ] - [ 0.0010159300000000, 0.0004480200000000, 0.0003135800000000 ] - [ 0.0000723200000000, 0.0001765200000000, -0.0000395300000000 ] - [ -0.0003280100000000, 0.0008362400000000, -0.0004007500000000 ] - [ -0.0002240500000000, -0.0005322800000000, -0.0000542500000000 ] - [ -0.0000051300000000, -0.0003677300000000, -0.0002876200000000 ] - [ -0.0007164400000000, -0.0008404400000000, -0.0003273100000000 ] - [ 0.0012244900000000, 0.0006760000000000, 0.0007355200000000 ] - [ -0.0007985100000000, 0.0005636800000000, -0.0006791400000000 ] - [ -0.0001864500000000, -0.0008702100000000, 0.0002738300000000 ] - [ 0.0023385400000000, -0.0008852400000000, -0.0106842700000000 ] - [ 0.0007242500000000, -0.0006244400000000, -0.0003129600000000 ] - [ -0.0006950500000000, 0.0003100000000000, 0.0003206000000000 ] - [ -0.0001604900000000, -0.0000762700000000, -0.0006677600000000 ] - [ -0.0006585100000000, 0.0007118700000000, -0.0007474700000000 ] - [ 0.0004047600000000, -0.0010405300000000, -0.0010179400000000 ] - [ -0.0000426100000000, 0.0005594000000000, 0.0000041700000000 ] - [ -0.0004639300000000, -0.0007260000000000, 0.0003184000000000 ] - [ -0.0014445600000000, 0.0002126000000000, 0.0015062800000000 ] - [ -0.0004022100000000, 0.0007185000000000, -0.0021785100000000 ] - [ 0.0004228000000000, -0.0004056800000000, -0.0006183700000000 ] - [ -0.0003915200000000, -0.0004737400000000, -0.0006387800000000 ] - [ 0.0002039000000000, -0.0002183400000000, -0.0006084600000000 ] - [ 0.0002198300000000, -0.0004200700000000, 0.0001366200000000 ] - [ -0.0005400300000000, -0.0002299600000000, -0.0006309000000000 ] - [ -0.0003225700000000, 0.0008654500000000, 0.0003329600000000 ] - [ 0.0004134400000000, 0.0005502600000000, -0.0005046600000000 ] - [ -0.0000944900000000, -0.0004006700000000, -0.0008478800000000 ] - [ -0.0010632600000000, -0.0000206100000000, 0.0003774900000000 ] - [ 0.0903468000000000, 0.0274681800000000, 0.0965385900000000 ] - [ 0.0002140900000000, 0.0004748600000000, 0.0002052000000000 ] - [ 0.0001894500000000, 0.0003731100000000, -0.0006851500000000 ] - [ -0.0000605700000000, -0.0003882200000000, 0.0006600100000000 ] - [ -0.0022364000000000, -0.0007571600000000, -0.0043930900000000 ] - [ -0.0028141800000000, 0.0021244400000000, -0.0032884500000000 ] - [ 0.0002995700000000, 0.0002379700000000, -0.0002121700000000 ] - [ 0.0000767700000000, 0.0004389100000000, -0.0001972600000000 ] - [ -0.0004021600000000, 0.0000354900000000, -0.0000361600000000 ] - [ 0.0002205700000000, -0.0004170300000000, -0.0000749000000000 ] - [ -0.0004186500000000, -0.0001010700000000, 0.0004569200000000 ] - [ 0.0001698200000000, -0.0004961800000000, 0.0000876800000000 ] - [ -0.0003560100000000, 0.0003886500000000, -0.0002705000000000 ] - [ -0.0001418200000000, -0.0002322000000000, -0.0001242900000000 ] - [ 0.0004089200000000, 0.0001540900000000, 0.0001916100000000 ] - [ 0.0009784500000000, 0.0000283300000000, 0.0000725800000000 ] - [ -0.0000348600000000, 0.0002746700000000, -0.0000193500000000 ] - [ 0.0000527600000000, -0.0002064600000000, 0.0000799900000000 ] - [ 0.0001019900000000, 0.0003384900000000, -0.0001882200000000 ] - [ 0.0052884800000000, 0.0055673200000000, -0.0059150500000000 ] - [ 0.0007433200000000, -0.0000100300000000, 0.0001878700000000 ] - [ 0.0002343800000000, 0.0004036100000000, -0.0000838400000000 ] - [ -0.0029620100000000, -0.0000886700000000, 0.0063424200000000 ] - [ 0.0001797000000000, 0.0000937800000000, 0.0008452000000000 ] - [ -0.0002350600000000, -0.0008535900000000, 0.0002449900000000 ] - [ -0.0000267400000000, 0.0001608900000000, -0.0001373700000000 ] - [ 0.0005290900000000, 0.0002405700000000, 0.0000695800000000 ] - [ -0.0010629800000000, -0.0003369400000000, -0.0006703200000000 ] - [ 0.0038522700000000, -0.0013996100000000, -0.0057089400000000 ] - [ -0.0000767500000000, 0.0008129000000000, 0.0002663600000000 ] - [ 0.0004782900000000, 0.0004016800000000, 0.0001073700000000 ] - [ 0.0163490800000000, 0.0027069900000000, 0.0328888400000000 ] - [ 0.0114859400000000, -0.0036068300000000, 0.0104480600000000 ] - [ -0.0000611500000000, -0.0000240900000000, -0.0000266800000000 ] - [ 0.0004819800000000, -0.0004139400000000, -0.0001082100000000 ] - [ 0.0000499100000000, 0.0007752000000000, -0.0003595900000000 ] - [ -0.0000338100000000, -0.0003512300000000, 0.0000399200000000 ] - [ -0.0007665900000000, -0.0014678000000000, 0.0037543500000000 ] - [ -0.0002188500000000, -0.0001910000000000, -0.0001753300000000 ] - [ 0.0006040900000000, 0.0000238000000000, -0.0002373400000000 ] - [ 0.0004896400000000, 0.0001969800000000, 0.0001474100000000 ] - [ 0.0011093000000000, -0.0000000700000000, -0.0002240200000000 ] - [ -0.0003682700000000, -0.0008305500000000, -0.0009135100000000 ] - [ -0.0000089900000000, 0.0005644800000000, 0.0001214100000000 ] - [ -0.0003330200000000, -0.0000384300000000, 0.0001529800000000 ] - [ 0.0001336200000000, -0.0006172300000000, 0.0001224200000000 ] - [ -0.0005831500000000, 0.0005760500000000, 0.0003119200000000 ] - [ 0.0004093300000000, 0.0008945000000000, 0.0001500100000000 ] - [ 0.0001596100000000, 0.0000322400000000, 0.0007926900000000 ] - [ -0.1325210300000000, -0.0349548500000000, -0.1328074500000000 ] - [ 0.0000188400000000, 0.0002000000000000, -0.0000668800000000 ] - [ -0.0001709100000000, 0.0010896200000000, -0.0003146400000000 ] - [ 0.0009365500000000, 0.0003795500000000, -0.0003791500000000 ] - [ 0.0002229000000000, -0.0002016500000000, 0.0009062300000000 ] - [ 0.0004056000000000, -0.0000095400000000, 0.0000502300000000 ] - [ -0.0000875800000000, -0.0003359700000000, -0.0000699900000000 ] - [ 0.0001121300000000, -0.0002175600000000, -0.0000459600000000 ] - [ -0.0002118000000000, 0.0004529400000000, 0.0001626800000000 ] - [ 0.0003622600000000, 0.0001663700000000, 0.0000105100000000 ] - [ 0.0001006500000000, -0.0005650400000000, -0.0001272700000000 ] - [ 0.0004177200000000, 0.0000368000000000, -0.0002634000000000 ] - [ -0.0000229600000000, 0.0000234500000000, 0.0007665800000000 ] - [ -0.0005346800000000, 0.0001093700000000, -0.0003155300000000 ] - [ 0.0002990600000000, 0.0003320400000000, 0.0000732400000000 ] - [ 0.0010257000000000, 0.0005927700000000, -0.0008188800000000 ] - [ -0.0001159700000000, -0.0001048200000000, -0.0001865500000000 ] - [ 0.0002194500000000, -0.0002671300000000, 0.0000660200000000 ] - [ -0.0000238800000000, 0.0003049600000000, 0.0006992900000000 ] - [ -0.0000103100000000, 0.0003964200000000, 0.0000617500000000 ] - [ -0.0000579600000000, 0.0000693000000000, -0.0002370400000000 ] - [ 0.0002588600000000, 0.0000378200000000, 0.0000358900000000 ] - [ -0.0001730100000000, -0.0000788800000000, -0.0001147700000000 ] - [ -0.0005310500000000, -0.0000014400000000, 0.0000555800000000 ] - [ 0.0002902100000000, -0.0000220600000000, -0.0002933700000000 ] - [ 0.0006904300000000, -0.0002611000000000, 0.0002831800000000 ] - [ -0.0000267600000000, 0.0000526700000000, -0.0000224100000000 ] - [ 0.0012158600000000, 0.0021726200000000, 0.0026398100000000 ] - [ -0.0002671500000000, -0.0000939800000000, 0.0000404100000000 ] - [ 0.0008040100000000, -0.0011159700000000, 0.0007654200000000 ] - [ -0.0003618700000000, 0.0012676500000000, 0.0023744200000000 ] - [ 0.0002464100000000, -0.0003001900000000, -0.0002195400000000 ] - [ 0.0005011000000000, 0.0002562200000000, -0.0000649100000000 ] - [ 0.0004069100000000, -0.0012998900000000, 0.0026452600000000 ] - [ -0.0000967700000000, -0.0001155400000000, -0.0000539800000000 ] - [ 0.0000610800000000, 0.0000230800000000, -0.0000485100000000 ] - [ 0.0003952800000000, 0.0000237400000000, -0.0000621200000000 ] - [ 0.0001262700000000, 0.0006260500000000, 0.0006355700000000 ] - [ -0.0005592200000000, 0.0000311700000000, -0.0002566400000000 ] - [ 0.0003176000000000, -0.0002154000000000, -0.0000078000000000 ] - [ -0.0002883900000000, 0.0000622500000000, -0.0003085000000000 ] - [ -0.0000393200000000, -0.0004826200000000, 0.0001225500000000 ] - [ -0.0000022300000000, 0.0002651300000000, -0.0000907800000000 ] - [ 0.0001647400000000, 0.0000602900000000, 0.0008391600000000 ] - [ 0.0001924000000000, -0.0008369900000000, -0.0003182600000000 ] - [ 0.0007215800000000, -0.0002771800000000, -0.0003434100000000 ] - [ 0.0002100500000000, 0.0001981800000000, 0.0003460400000000 ] - [ -0.0004229300000000, -0.0002784500000000, 0.0001014300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001581300000000, 0.0000351000000000, 0.0001317000000000 ] - [ -0.0006877400000000, -0.0028988200000000, 0.0002303200000000 ] - [ 0.0000644200000000, -0.0000308800000000, 0.0002669900000000 ] - [ -0.0003132700000000, -0.0001008900000000, 0.0000061900000000 ] - [ -0.0000924100000000, 0.0000596800000000, -0.0000216800000000 ] - [ 0.0000689900000000, 0.0000000300000000, 0.0002093700000000 ] - [ 0.0001951000000000, -0.0000077800000000, 0.0000349300000000 ] - [ 0.0002083400000000, -0.0000259400000000, 0.0000929500000000 ] - [ -0.0000276300000000, 0.0000185400000000, 0.0000766100000000 ] - [ 0.0001375300000000, 0.0001413200000000, 0.0002641900000000 ] - [ 0.0001537200000000, 0.0001191300000000, 0.0002798500000000 ] - [ -0.0000260000000000, 0.0001160600000000, -0.0000014700000000 ] - [ -0.0008365300000000, 0.0017036100000000, 0.0009586400000000 ] - [ 0.0000913000000000, 0.0001625900000000, 0.0000864400000000 ] - [ -0.0015868700000000, -0.0028179200000000, 0.0015511200000000 ] - [ 0.0009194800000000, 0.0000321200000000, 0.0000584300000000 ] - [ 0.0000094700000000, -0.0002219500000000, 0.0001426300000000 ] - [ 0.0000724500000000, 0.0001339100000000, 0.0001544100000000 ] - [ -0.0004837500000000, -0.0006753200000000, -0.0020671400000000 ] - [ -0.0000737700000000, -0.0001223800000000, 0.0000621800000000 ] - [ 0.0002126500000000, -0.0002280700000000, -0.0000339500000000 ] - [ 0.0001909400000000, -0.0000005100000000, 0.0000454300000000 ] - [ -0.0000037300000000, -0.0001657900000000, 0.0000388500000000 ] - [ 0.0007616600000000, 0.0001348500000000, 0.0001817100000000 ] - [ -0.0001014200000000, -0.0007738000000000, -0.0003178400000000 ] - [ -0.0008417500000000, 0.0000481900000000, 0.0007094800000000 ] - [ 0.0004117000000000, -0.0001778900000000, 0.0001784000000000 ] - [ 0.0005211300000000, 0.0007441900000000, -0.0006759400000000 ] - [ 0.0000904800000000, 0.0002838400000000, 0.0004121200000000 ] - [ 0.0010522600000000, 0.0007679300000000, -0.0022193200000000 ] - [ -0.0021711200000000, 0.0011445900000000, 0.0134175600000000 ] - [ 0.0008620700000000, 0.0012756200000000, 0.0012760500000000 ] - [ -0.0000216700000000, -0.0001936700000000, 0.0003828800000000 ] - [ -0.0002754800000000, 0.0006319700000000, -0.0002720400000000 ] - [ 0.0003636500000000, -0.0004968500000000, 0.0006638900000000 ] - [ 0.0003259600000000, -0.0000521200000000, -0.0001145500000000 ] - [ 0.0004148500000000, 0.0001880300000000, 0.0004048500000000 ] - [ -0.0097992800000000, 0.0028256300000000, -0.0193811800000000 ] - [ 0.0002255800000000, -0.0001609500000000, 0.0004416800000000 ] - [ 0.0003088000000000, -0.0004001000000000, -0.0000405700000000 ] - [ 0.0004408200000000, 0.0003553500000000, -0.0002420100000000 ] - [ -0.0003315300000000, -0.0000761200000000, -0.0001801100000000 ] - [ 0.0008223000000000, -0.0029909400000000, -0.0000689900000000 ] - [ 0.0005805200000000, 0.0001169000000000, -0.0004148200000000 ] - [ 0.0003611800000000, -0.0001152300000000, -0.0000033700000000 ] - [ 0.0004707000000000, 0.0004414300000000, -0.0001022400000000 ] - [ 0.0000444400000000, 0.0001144200000000, 0.0000165100000000 ] - [ 0.0010552800000000, -0.0003883900000000, -0.0002121800000000 ] - [ 0.0009825800000000, -0.0001948100000000, -0.0008054100000000 ] - [ 0.0004417700000000, -0.0002986600000000, -0.0000671100000000 ] - [ 0.0005781800000000, 0.0000671200000000, -0.0005998000000000 ] - [ 0.0013551500000000, -0.0003726600000000, 0.0003971400000000 ] - [ -0.0017240700000000, 0.0003335600000000, 0.0110436800000000 ] - [ -0.0008576900000000, -0.0002372800000000, 0.0006578600000000 ] - [ -0.0004769700000000, 0.0009329600000000, 0.0003478800000000 ] - [ 0.0008798600000000, -0.0000416300000000, -0.0005997300000000 ] - [ 0.0003877400000000, 0.0003211900000000, -0.0003914600000000 ] - [ -0.0002363800000000, 0.0018879600000000, 0.0013798100000000 ] - [ -0.0007365900000000, -0.0008461200000000, 0.0003451100000000 ] - [ -0.0000343500000000, -0.0009045400000000, 0.0003515900000000 ] - [ 0.0003901200000000, 0.0001061400000000, -0.0026183900000000 ] - [ -0.0003180500000000, -0.0015100800000000, 0.0010339400000000 ] - [ 0.0006318900000000, 0.0001269400000000, -0.0005209100000000 ] - [ -0.0000239500000000, -0.0000952900000000, -0.0006332100000000 ] - [ 0.0000166600000000, -0.0004150400000000, -0.0006657700000000 ] - [ -0.0008805700000000, 0.0009727200000000, 0.0002188600000000 ] - [ -0.0001764900000000, 0.0003474500000000, -0.0006352100000000 ] - [ 0.0008250100000000, 0.0007629800000000, 0.0003390700000000 ] - [ 0.0003315300000000, 0.0002178900000000, -0.0006309800000000 ] - [ 0.0005031900000000, 0.0009660600000000, -0.0004221200000000 ] - [ -0.0005988500000000, -0.0003582500000000, 0.0002961400000000 ] - [ -0.0934965100000000, -0.0282827000000000, -0.0974609500000000 ] - [ 0.0004014600000000, -0.0001785400000000, -0.0000228300000000 ] - [ 0.0005417600000000, -0.0000317800000000, 0.0009465800000000 ] - [ 0.0009206400000000, 0.0006539100000000, -0.0003935100000000 ] - [ 0.0014049000000000, 0.0011853400000000, 0.0044698200000000 ] - [ 0.0029269100000000, -0.0022227400000000, 0.0032726700000000 ] - [ -0.0001154600000000, 0.0000442900000000, 0.0000882100000000 ] - [ -0.0000145000000000, 0.0000526200000000, -0.0001400500000000 ] - [ -0.0006921500000000, -0.0000728700000000, 0.0000338200000000 ] - [ -0.0009277900000000, 0.0006624400000000, 0.0000236300000000 ] - [ -0.0001501200000000, 0.0004937300000000, -0.0002659700000000 ] - [ 0.0004457400000000, -0.0004790500000000, -0.0000683200000000 ] - [ -0.0010413600000000, 0.0005079000000000, -0.0004443800000000 ] - [ 0.0007046700000000, -0.0001586900000000, 0.0002841200000000 ] - [ -0.0004172500000000, 0.0007553800000000, -0.0001121800000000 ] - [ 0.0001136500000000, 0.0000097200000000, -0.0000755700000000 ] - [ -0.0001214500000000, 0.0000270200000000, -0.0001003900000000 ] - [ -0.0002384200000000, -0.0000751300000000, -0.0001979400000000 ] - [ -0.0000115100000000, 0.0000301900000000, -0.0002416900000000 ] - [ -0.0051782900000000, -0.0053074600000000, 0.0059458800000000 ] - [ -0.0005178500000000, -0.0004855600000000, -0.0001013000000000 ] - [ 0.0003007000000000, -0.0002241000000000, -0.0000509100000000 ] - [ 0.0032098400000000, 0.0001376300000000, -0.0063821800000000 ] - [ -0.0000247500000000, -0.0000659000000000, 0.0007729900000000 ] - [ 0.0001862100000000, 0.0006292600000000, -0.0002854400000000 ] - [ -0.0003600400000000, 0.0001349300000000, -0.0001937800000000 ] - [ -0.0001088000000000, -0.0006240500000000, -0.0002046800000000 ] - [ -0.0004070600000000, -0.0004212000000000, -0.0000425000000000 ] - [ -0.0039169200000000, 0.0008191900000000, 0.0056414300000000 ] - [ -0.0000361200000000, -0.0000941100000000, -0.0003100800000000 ] - [ -0.0002642400000000, 0.0004715100000000, 0.0001589000000000 ] - [ -0.0167334800000000, -0.0034409000000000, -0.0332947800000000 ] - [ -0.0119731200000000, 0.0032656500000000, -0.0102360100000000 ] - [ -0.0005053000000000, -0.0004628600000000, -0.0000237100000000 ] - [ 0.0001641200000000, -0.0002124900000000, 0.0003682100000000 ] - [ 0.0000310300000000, 0.0008813800000000, -0.0003560800000000 ] - [ -0.0002791600000000, -0.0000960400000000, 0.0000440000000000 ] - [ -0.0000507000000000, 0.0010439100000000, -0.0036838500000000 ] - [ -0.0002371800000000, -0.0000014100000000, -0.0001612600000000 ] - [ -0.0001478200000000, 0.0001696600000000, -0.0000987800000000 ] - [ -0.0001810400000000, 0.0002531400000000, -0.0000646000000000 ] - [ -0.0010888500000000, -0.0009085200000000, 0.0002992200000000 ] - [ 0.0009115900000000, 0.0007735700000000, 0.0009993900000000 ] - [ -0.0006568900000000, -0.0001233200000000, 0.0001362900000000 ] - [ -0.0003942600000000, -0.0003136200000000, 0.0001091400000000 ] - [ -0.0003470200000000, -0.0002536200000000, 0.0001441000000000 ] - [ 0.0004153100000000, -0.0004301600000000, -0.0003547300000000 ] - [ 0.0001280600000000, 0.0000882200000000, -0.0001493000000000 ] - [ -0.0000501600000000, -0.0001591200000000, 0.0008301700000000 ] - [ 0.1376990700000000, 0.0356728200000000, 0.1343021200000000 ] - [ -0.0000858500000000, -0.0003127300000000, 0.0000816300000000 ] - [ 0.0000771600000000, -0.0007892700000000, 0.0000262900000000 ] - [ 0.0005326400000000, 0.0003783200000000, -0.0003332800000000 ] - [ -0.0002796200000000, 0.0000511600000000, 0.0007114600000000 ] - [ 0.0003797300000000, -0.0004514600000000, 0.0000288800000000 ] - [ -0.0004488000000000, -0.0006459600000000, 0.0000705800000000 ] - [ 0.0000056900000000, -0.0004993800000000, 0.0000028400000000 ] - [ -0.0004407500000000, 0.0001629400000000, 0.0001000600000000 ] - [ 0.0004350000000000, 0.0002840400000000, 0.0000716100000000 ] - [ 0.0001769700000000, 0.0003047300000000, -0.0003011900000000 ] - [ -0.0000544000000000, 0.0000720000000000, -0.0001666400000000 ] - [ 0.0000769900000000, 0.0001278900000000, 0.0008468000000000 ] - [ 0.0003130700000000, -0.0001698500000000, 0.0002724900000000 ] - [ -0.0002306200000000, -0.0002209000000000, -0.0000586800000000 ] - [ -0.0008636200000000, -0.0008967000000000, 0.0006839400000000 ] - [ -0.0002488400000000, -0.0000030000000000, -0.0002412900000000 ] - [ -0.0001482200000000, 0.0001438900000000, -0.0000510200000000 ] - [ -0.0001287800000000, -0.0003323400000000, 0.0009151300000000 ] - [ -0.0002100500000000, 0.0000996500000000, 0.0000248600000000 ] - [ -0.0002213900000000, 0.0001936900000000, -0.0001964400000000 ] - [ -0.0001273000000000, -0.0000406500000000, -0.0000210400000000 ] - [ -0.0001666100000000, 0.0000938600000000, -0.0000085800000000 ] - [ 0.0001880300000000, 0.0000635000000000, -0.0003218500000000 ] - [ -0.0003806600000000, -0.0003468700000000, -0.0001404400000000 ] - [ -0.0000227000000000, -0.0001789400000000, -0.0000245500000000 ] - [ 0.0000791100000000, 0.0006291200000000, 0.0001949600000000 ] - [ -0.0010276500000000, -0.0019482400000000, -0.0029284300000000 ] - [ -0.0002784100000000, 0.0001435800000000, 0.0000443600000000 ] - [ -0.0004743100000000, 0.0011057200000000, -0.0008705600000000 ] - [ -0.0001593100000000, -0.0014398200000000, -0.0025095500000000 ] - [ -0.0003115600000000, -0.0001904500000000, -0.0001172200000000 ] - [ 0.0000625600000000, 0.0002308800000000, 0.0000141700000000 ] - [ -0.0002994500000000, 0.0009982500000000, -0.0029228000000000 ] - [ 0.0000217500000000, 0.0002415900000000, 0.0000708800000000 ] - [ 0.0000523400000000, 0.0005310600000000, -0.0000922500000000 ] - [ -0.0005292400000000, -0.0000208800000000, 0.0000774000000000 ] - [ 0.0002637800000000, -0.0009155100000000, -0.0009643900000000 ] - [ 0.0001185100000000, 0.0003516900000000, 0.0001210800000000 ] - [ 0.0003922600000000, -0.0000331700000000, -0.0000458200000000 ] - [ 0.0000754200000000, -0.0003021100000000, 0.0000325500000000 ] - [ 0.0000070900000000, -0.0003198800000000, 0.0001362100000000 ] - [ -0.0006151000000000, 0.0007135300000000, 0.0001114100000000 ] - [ -0.0002752000000000, 0.0000672400000000, 0.0007854900000000 ] - [ -0.0002770900000000, -0.0008190200000000, -0.0003962400000000 ] - [ 0.0006745600000000, -0.0006204100000000, -0.0003701900000000 ] - [ -0.0001893800000000, 0.0006079000000000, -0.0000862300000000 ] - [ -0.0004394500000000, 0.0000225200000000, 0.0001627500000000 ]- atom: 122 displacement: [ 0.0100000000000000, 0.0000000000110082, 0.0000000000000000 ] forces: - [ 0.0001250800000000, 0.0001937200000000, 0.0000669300000000 ] - [ -0.0002029400000000, -0.0003753000000000, 0.0000290000000000 ] - [ -0.0003306900000000, 0.0002490500000000, 0.0001913100000000 ] - [ -0.0002264700000000, -0.0004093800000000, 0.0002527200000000 ] - [ 0.0003683200000000, -0.0012771100000000, -0.0010575800000000 ] - [ -0.0007444600000000, -0.0000692100000000, -0.0000454000000000 ] - [ -0.0002896500000000, 0.0002484000000000, 0.0000141100000000 ] - [ 0.0001097800000000, 0.0002167700000000, 0.0001431900000000 ] - [ -0.0012494200000000, 0.0024685800000000, -0.0023136500000000 ] - [ 0.0004486600000000, -0.0012772700000000, 0.0007288900000000 ] - [ 0.0004003200000000, 0.0002514300000000, -0.0000135600000000 ] - [ -0.0003773300000000, 0.0014402600000000, 0.0016327700000000 ] - [ -0.0001981100000000, -0.0004272600000000, 0.0000858100000000 ] - [ 0.0001032600000000, 0.0015642400000000, -0.0024430000000000 ] - [ 0.0000689100000000, -0.0010652700000000, -0.0002808900000000 ] - [ 0.0001317400000000, 0.0002002000000000, 0.0002572500000000 ] - [ -0.0007823300000000, -0.0000779200000000, -0.0000310700000000 ] - [ 0.0040048100000000, -0.0006729400000000, -0.0012548200000000 ] - [ 0.0000062900000000, -0.0007933900000000, 0.0004805400000000 ] - [ -0.0007441900000000, -0.0000691300000000, 0.0002804700000000 ] - [ -0.0001607800000000, 0.0001070600000000, 0.0000483900000000 ] - [ -0.0003541900000000, 0.0003420900000000, 0.0000714300000000 ] - [ -0.0007639000000000, -0.0002299300000000, 0.0001584300000000 ] - [ -0.0002668700000000, -0.0002169100000000, -0.0000040000000000 ] - [ -0.0020246300000000, 0.0011965900000000, 0.0003354400000000 ] - [ -0.0010801100000000, 0.0001281200000000, -0.0015995200000000 ] - [ -0.0003466900000000, -0.0016871300000000, 0.0003748900000000 ] - [ 0.0687988600000000, 0.0474898200000000, -0.0415119100000000 ] - [ -0.0095475000000000, 0.0004277700000000, 0.0031216500000000 ] - [ -0.0001217600000000, -0.0024117100000000, 0.0000122600000000 ] - [ -0.0009686200000000, -0.0013128300000000, -0.0001350700000000 ] - [ 0.0013512500000000, -0.0004080100000000, 0.0008948100000000 ] - [ -0.0013080200000000, 0.0001391800000000, 0.0004221000000000 ] - [ -0.0003527800000000, 0.0028405300000000, -0.0002443200000000 ] - [ -0.0001450800000000, 0.0005565800000000, -0.0001089600000000 ] - [ -0.0004603500000000, -0.0001190600000000, 0.0000410300000000 ] - [ 0.0005666200000000, -0.0002362600000000, 0.0004182700000000 ] - [ -0.0005671700000000, -0.0001678400000000, 0.0000563300000000 ] - [ -0.0000912400000000, 0.0006041100000000, 0.0003661100000000 ] - [ -0.0014998100000000, 0.0001177200000000, -0.0002990000000000 ] - [ 0.0004944600000000, 0.0015489500000000, -0.0001651700000000 ] - [ -0.0017071000000000, 0.0006598000000000, 0.0005054900000000 ] - [ -0.0016460700000000, -0.0017164200000000, 0.0000933000000000 ] - [ -0.0003865300000000, 0.0002130500000000, -0.0001716500000000 ] - [ 0.0003848600000000, 0.0008717000000000, -0.0002702800000000 ] - [ -0.0007885100000000, 0.0007328800000000, -0.0003339000000000 ] - [ 0.0033985600000000, 0.0013016800000000, 0.0029179500000000 ] - [ 0.0004929400000000, 0.0001777100000000, -0.0002348200000000 ] - [ 0.0006892200000000, -0.0006165100000000, -0.0004236000000000 ] - [ -0.0079215400000000, -0.0036353400000000, -0.0054292100000000 ] - [ -0.0014828100000000, 0.0002720600000000, -0.0006363000000000 ] - [ 0.0011305600000000, 0.0008752600000000, 0.0003028500000000 ] - [ 0.0004335000000000, -0.0008650000000000, 0.0002530900000000 ] - [ -0.0002344500000000, -0.0008082800000000, 0.0002160000000000 ] - [ 0.0471748700000000, 0.0413116300000000, -0.0028250300000000 ] - [ 0.0002251900000000, 0.0005806000000000, -0.0006793700000000 ] - [ -0.0003009000000000, 0.0010471500000000, -0.0006299200000000 ] - [ 0.0000476800000000, -0.0007674200000000, 0.0000446300000000 ] - [ -0.0015567800000000, -0.0004373200000000, 0.0001841700000000 ] - [ -0.0004585100000000, 0.0007940900000000, 0.0000779800000000 ] - [ 0.0050301300000000, -0.0016139200000000, 0.0001183000000000 ] - [ -0.0011865000000000, -0.0015277400000000, -0.0009390100000000 ] - [ 0.0002877700000000, -0.0004118300000000, 0.0019664700000000 ] - [ -0.0033044800000000, 0.0027052600000000, 0.0000267300000000 ] - [ -0.0012879200000000, 0.0006306500000000, -0.0002546200000000 ] - [ -0.0018896900000000, -0.0025815700000000, 0.0005503500000000 ] - [ 0.0017873800000000, -0.0001257200000000, 0.0001079000000000 ] - [ 0.0001701700000000, 0.0007139800000000, 0.0003511100000000 ] - [ -0.0013143700000000, 0.0004447800000000, -0.0005331700000000 ] - [ 0.0014780200000000, 0.0000161900000000, 0.0027382100000000 ] - [ -0.0022108800000000, -0.0000571300000000, 0.0002922400000000 ] - [ 0.0002709800000000, -0.0012339900000000, 0.0001392100000000 ] - [ 0.0007786100000000, 0.0010057600000000, -0.0003834000000000 ] - [ -0.0042306800000000, 0.0074110600000000, -0.0011009400000000 ] - [ 0.0012055500000000, 0.0008945700000000, 0.0003766900000000 ] - [ -0.0012292700000000, 0.0012414900000000, -0.0000245600000000 ] - [ 0.0000835300000000, 0.0003434200000000, 0.0000465600000000 ] - [ -0.0001930600000000, 0.0002528800000000, -0.0001301300000000 ] - [ -0.0015238900000000, 0.0006576700000000, -0.0010621700000000 ] - [ -0.0014816200000000, -0.0005543000000000, 0.0002007900000000 ] - [ 0.0009099000000000, 0.0004319800000000, 0.0000596000000000 ] - [ -0.0001314300000000, 0.0002729900000000, 0.0000915600000000 ] - [ 0.0011092500000000, -0.0010846000000000, 0.0004895300000000 ] - [ -0.0005832600000000, -0.0001753800000000, -0.0002606100000000 ] - [ 0.0002846500000000, 0.0003825300000000, 0.0001167500000000 ] - [ 0.0001532700000000, 0.0003686900000000, 0.0000213700000000 ] - [ 0.0006951700000000, -0.0001696300000000, 0.0000048000000000 ] - [ 0.0013803900000000, 0.0004639300000000, -0.0029479800000000 ] - [ -0.0000369600000000, -0.0003935600000000, -0.0000061000000000 ] - [ -0.0080684100000000, 0.0053781400000000, -0.0050520300000000 ] - [ 0.0003309000000000, 0.0011906500000000, -0.0001969500000000 ] - [ -0.0007853000000000, -0.0006233800000000, -0.0001712600000000 ] - [ 0.0031203200000000, 0.0018939900000000, -0.0002176200000000 ] - [ 0.0001325500000000, 0.0004072500000000, -0.0000118000000000 ] - [ 0.0011126400000000, -0.0007701800000000, 0.0001617200000000 ] - [ 0.0003721200000000, 0.0002796400000000, 0.0000579200000000 ] - [ 0.0017707100000000, -0.0002867800000000, -0.0000269300000000 ] - [ 0.0000695800000000, 0.0003452700000000, -0.0001604400000000 ] - [ 0.0168822800000000, 0.0064341100000000, -0.0025921800000000 ] - [ 0.0000193600000000, 0.0007561900000000, -0.0000593800000000 ] - [ -0.0019714200000000, 0.0012230000000000, -0.0014384000000000 ] - [ -0.0000287000000000, 0.0004786800000000, 0.0000498500000000 ] - [ 0.0000828000000000, 0.0002460200000000, 0.0001140200000000 ] - [ -0.0003657100000000, 0.0001165400000000, -0.0000016800000000 ] - [ -0.0008922300000000, -0.0003624600000000, -0.0002193200000000 ] - [ -0.0018523800000000, -0.0016318300000000, 0.0006828600000000 ] - [ 0.0004881700000000, -0.0004992500000000, -0.0002130800000000 ] - [ 0.0001739100000000, -0.0009798100000000, 0.0000031500000000 ] - [ -0.0003214900000000, 0.0004913500000000, 0.0000179300000000 ] - [ -0.0000429300000000, -0.0007462800000000, -0.0003030500000000 ] - [ 0.0006043000000000, 0.0003113300000000, -0.0002059100000000 ] - [ 0.0000970600000000, 0.0003944800000000, 0.0000845400000000 ] - [ -0.0003309500000000, -0.0000806700000000, 0.0000346700000000 ] - [ 0.0029723700000000, 0.0032109200000000, 0.0004257100000000 ] - [ -0.0014354500000000, -0.0005964700000000, 0.0004255000000000 ] - [ 0.0002709300000000, -0.0006960100000000, -0.0003234700000000 ] - [ -0.0000051500000000, -0.0009308800000000, 0.0001683000000000 ] - [ -0.0000683900000000, 0.0008979100000000, -0.0001819200000000 ] - [ -0.0018011100000000, -0.0011773400000000, -0.0006289100000000 ] - [ -0.0003418500000000, -0.0006685300000000, -0.0001246400000000 ] - [ 0.0001944300000000, 0.0005800100000000, -0.0000789900000000 ] - [ -0.1220561800000000, -0.1178193300000000, 0.0622382100000000 ] - [ 0.0001461200000000, 0.0017030600000000, 0.0000442500000000 ] - [ 0.0017611500000000, 0.0001839200000000, -0.0006669700000000 ] - [ 0.0004970800000000, -0.0000380000000000, 0.0008480700000000 ] - [ 0.0008562600000000, 0.0005922100000000, -0.0002998500000000 ] - [ -0.0000141200000000, -0.0019872900000000, 0.0003163700000000 ] - [ 0.0037605800000000, -0.0023868200000000, -0.0001191200000000 ] - [ -0.0014992100000000, 0.0003914300000000, -0.0003469700000000 ] - [ 0.0012904500000000, -0.0000448800000000, 0.0001396700000000 ] - [ 0.0016197200000000, 0.0007712400000000, 0.0024289900000000 ] - [ 0.0003048000000000, 0.0000966600000000, -0.0002452500000000 ] - [ 0.0008460300000000, -0.0004191400000000, 0.0002505700000000 ] - [ 0.0010942300000000, 0.0006415400000000, 0.0001297600000000 ] - [ 0.0000930500000000, -0.0011334600000000, -0.0001676300000000 ] - [ -0.0012047300000000, 0.0003619900000000, -0.0008112800000000 ] - [ -0.0000058500000000, -0.0006600900000000, 0.0000102900000000 ] - [ 0.0008390600000000, -0.0003785400000000, 0.0000923000000000 ] - [ -0.0032362000000000, 0.0018792600000000, -0.0064385100000000 ] - [ 0.0124631600000000, 0.0227200000000000, 0.0030967000000000 ] - [ 0.0005191100000000, -0.0000039700000000, -0.0000763800000000 ] - [ -0.0000506100000000, -0.0007581100000000, 0.0000675500000000 ] - [ 0.0004849400000000, -0.0000438900000000, -0.0000940800000000 ] - [ 0.0007401000000000, 0.0003060200000000, -0.0003961300000000 ] - [ -0.0002801900000000, -0.0007121400000000, -0.0001667400000000 ] - [ 0.0002395000000000, -0.0005989000000000, 0.0001376000000000 ] - [ 0.0005600700000000, 0.0004873700000000, 0.0001894000000000 ] - [ 0.0003628000000000, 0.0009432400000000, 0.0000779400000000 ] - [ 0.0004756900000000, 0.0001666800000000, 0.0000197300000000 ] - [ 0.0007162900000000, 0.0006182600000000, 0.0003526700000000 ] - [ -0.0005991500000000, 0.0003147300000000, 0.0000291300000000 ] - [ 0.0000312300000000, -0.0008577800000000, -0.0002623900000000 ] - [ 0.0001951400000000, -0.0002158000000000, 0.0000345500000000 ] - [ -0.0000488800000000, 0.0001231700000000, -0.0002253900000000 ] - [ 0.0031683700000000, -0.0011094800000000, 0.0005034600000000 ] - [ 0.0007370500000000, 0.0000603000000000, -0.0000157300000000 ] - [ -0.0000127600000000, -0.0001170800000000, -0.0000214800000000 ] - [ -0.0003246400000000, 0.0000060700000000, -0.0005286400000000 ] - [ -0.0000918200000000, 0.0001638300000000, -0.0000547900000000 ] - [ 0.0014807200000000, -0.0003328600000000, -0.0001083000000000 ] - [ 0.0003230200000000, 0.0001324600000000, -0.0001961600000000 ] - [ 0.0014188700000000, -0.0007560600000000, 0.0000483900000000 ] - [ 0.0004942600000000, 0.0000799500000000, -0.0001053200000000 ] - [ -0.0000164800000000, -0.0001874200000000, 0.0008055000000000 ] - [ 0.0002437900000000, -0.0007763900000000, -0.0003212300000000 ] - [ -0.0042798000000000, -0.0140254000000000, -0.0025326200000000 ] - [ 0.0007842700000000, 0.0006490800000000, 0.0002408100000000 ] - [ 0.0005025500000000, 0.0000576300000000, 0.0000878000000000 ]- atom: 122 displacement: [ -0.0100000000000000, -0.0000000000110082, 0.0000000000000000 ] forces: - [ -0.0001821200000000, -0.0001582100000000, 0.0001577300000000 ] - [ 0.0002029100000000, 0.0003753400000000, 0.0000915500000000 ] - [ 0.0004463400000000, -0.0000975300000000, 0.0002676900000000 ] - [ 0.0001110700000000, 0.0002587400000000, 0.0002052500000000 ] - [ -0.0006597000000000, 0.0010819100000000, 0.0010917400000000 ] - [ 0.0009356500000000, 0.0000445900000000, 0.0005034500000000 ] - [ 0.0002896800000000, -0.0002459100000000, 0.0000967800000000 ] - [ -0.0000571600000000, -0.0002458200000000, 0.0000828700000000 ] - [ 0.0012317300000000, -0.0024871500000000, 0.0024333300000000 ] - [ -0.0003645000000000, 0.0011089800000000, -0.0002689700000000 ] - [ -0.0001037000000000, -0.0000510200000000, 0.0000474000000000 ] - [ 0.0003704900000000, -0.0014535400000000, -0.0015794400000000 ] - [ 0.0001997100000000, 0.0004291200000000, 0.0000356500000000 ] - [ -0.0001448500000000, -0.0015979700000000, 0.0026655000000000 ] - [ -0.0002621700000000, 0.0010932800000000, 0.0007417500000000 ] - [ -0.0002077800000000, -0.0000234700000000, 0.0002024600000000 ] - [ 0.0007840500000000, 0.0000159500000000, 0.0002573600000000 ] - [ -0.0038954600000000, 0.0006124300000000, 0.0013941100000000 ] - [ -0.0000320700000000, 0.0011556500000000, -0.0004498300000000 ] - [ 0.0007474000000000, 0.0001316900000000, -0.0000570100000000 ] - [ 0.0004823100000000, -0.0002689900000000, -0.0000129100000000 ] - [ 0.0003531900000000, -0.0003411800000000, -0.0000132500000000 ] - [ 0.0007881300000000, -0.0001293100000000, -0.0001237900000000 ] - [ -0.0000543200000000, 0.0003802600000000, 0.0000393900000000 ] - [ 0.0018800600000000, -0.0024975000000000, -0.0008405400000000 ] - [ 0.0008061300000000, 0.0002156200000000, 0.0015653600000000 ] - [ 0.0016446900000000, 0.0005742000000000, -0.0004840700000000 ] - [ -0.0689507000000000, -0.0493538700000000, 0.0429451200000000 ] - [ 0.0095222300000000, -0.0004176300000000, -0.0023202700000000 ] - [ -0.0001993000000000, 0.0007506900000000, -0.0001209000000000 ] - [ -0.0006413600000000, 0.0007635200000000, 0.0000319400000000 ] - [ -0.0013297200000000, 0.0003649100000000, -0.0000898800000000 ] - [ 0.0012634300000000, -0.0001351200000000, 0.0003821200000000 ] - [ -0.0007148500000000, -0.0020137600000000, -0.0002439200000000 ] - [ 0.0004704800000000, 0.0011084000000000, 0.0000012200000000 ] - [ 0.0000348600000000, 0.0000532100000000, -0.0000843400000000 ] - [ -0.0005485800000000, 0.0002859900000000, 0.0003821800000000 ] - [ -0.0007279800000000, 0.0012832700000000, -0.0001659100000000 ] - [ 0.0000738400000000, -0.0006452000000000, 0.0004335600000000 ] - [ 0.0017714300000000, -0.0004632100000000, 0.0002499800000000 ] - [ -0.0003309600000000, -0.0011297100000000, 0.0001258300000000 ] - [ 0.0005273800000000, -0.0011865500000000, -0.0010006500000000 ] - [ 0.0017017200000000, 0.0017209600000000, 0.0007136900000000 ] - [ 0.0019991500000000, 0.0003395100000000, 0.0000680700000000 ] - [ 0.0000311900000000, -0.0008018800000000, 0.0002270200000000 ] - [ 0.0009401100000000, 0.0005522600000000, -0.0001662300000000 ] - [ -0.0035632200000000, -0.0017470000000000, -0.0030134400000000 ] - [ 0.0005514000000000, -0.0009447000000000, -0.0002631200000000 ] - [ -0.0004187000000000, -0.0004022500000000, -0.0007093300000000 ] - [ 0.0096298900000000, 0.0040236700000000, 0.0061461000000000 ] - [ 0.0012831700000000, 0.0003623700000000, -0.0006378800000000 ] - [ 0.0000244200000000, -0.0021146200000000, 0.0003669500000000 ] - [ 0.0002389300000000, 0.0003257400000000, 0.0001093300000000 ] - [ 0.0000919300000000, -0.0000217400000000, 0.0001359700000000 ] - [ -0.0488702700000000, -0.0405223800000000, 0.0034553200000000 ] - [ 0.0004826000000000, -0.0007066800000000, -0.0005877000000000 ] - [ 0.0000328900000000, -0.0000116800000000, -0.0005068000000000 ] - [ 0.0000985900000000, 0.0016022500000000, 0.0003079600000000 ] - [ 0.0007893600000000, 0.0001290000000000, 0.0001658900000000 ] - [ -0.0000659500000000, -0.0024204700000000, 0.0005933200000000 ] - [ -0.0060722500000000, 0.0018941100000000, -0.0012574700000000 ] - [ 0.0004424500000000, 0.0007677700000000, -0.0001946800000000 ] - [ 0.0007798100000000, 0.0001222300000000, -0.0030993100000000 ] - [ 0.0028716700000000, -0.0032560800000000, -0.0012947400000000 ] - [ 0.0014928400000000, -0.0012687900000000, -0.0010236800000000 ] - [ 0.0012186500000000, 0.0031214900000000, -0.0001866500000000 ] - [ -0.0025100100000000, 0.0002635900000000, -0.0013652100000000 ] - [ 0.0003340000000000, 0.0009074300000000, 0.0003206000000000 ] - [ 0.0020647300000000, 0.0003181200000000, -0.0006043300000000 ] - [ -0.0010652600000000, 0.0005236700000000, -0.0039880600000000 ] - [ 0.0005564300000000, -0.0003102800000000, 0.0003818300000000 ] - [ 0.0004977800000000, 0.0015480900000000, 0.0002115100000000 ] - [ -0.0001704300000000, -0.0007014800000000, 0.0005550700000000 ] - [ 0.0049771400000000, -0.0070700300000000, 0.0013603300000000 ] - [ -0.0003445600000000, -0.0006308400000000, -0.0001233900000000 ] - [ 0.0004418300000000, -0.0007957400000000, 0.0000930600000000 ] - [ 0.0000751300000000, -0.0004965700000000, -0.0000905900000000 ] - [ 0.0003781000000000, 0.0000237700000000, 0.0000103000000000 ] - [ 0.0015963700000000, -0.0001765300000000, 0.0007352300000000 ] - [ 0.0003959500000000, 0.0005114900000000, -0.0001987400000000 ] - [ -0.0016288200000000, -0.0001806300000000, -0.0001019700000000 ] - [ -0.0004377800000000, 0.0001049900000000, 0.0000779000000000 ] - [ -0.0004859400000000, 0.0001109800000000, -0.0004652900000000 ] - [ -0.0008091200000000, 0.0010701800000000, -0.0004472200000000 ] - [ 0.0002829300000000, -0.0007615500000000, 0.0000537300000000 ] - [ -0.0001732900000000, 0.0005382200000000, 0.0000469700000000 ] - [ 0.0004022800000000, 0.0002145400000000, 0.0000016500000000 ] - [ -0.0015386500000000, -0.0001525100000000, 0.0028213200000000 ] - [ -0.0001489600000000, 0.0001117900000000, -0.0001124600000000 ] - [ 0.0080818600000000, -0.0050693400000000, 0.0046915900000000 ] - [ -0.0002785300000000, -0.0009860300000000, 0.0001553400000000 ] - [ 0.0010058200000000, 0.0001203200000000, 0.0002710600000000 ] - [ -0.0025789500000000, -0.0017087100000000, 0.0000898200000000 ] - [ 0.0000806400000000, -0.0003551600000000, -0.0000331400000000 ] - [ -0.0009598400000000, 0.0007910000000000, 0.0014468700000000 ] - [ -0.0004266400000000, -0.0004909900000000, -0.0000994900000000 ] - [ -0.0021490200000000, 0.0005819700000000, -0.0003038400000000 ] - [ 0.0003587000000000, -0.0007324700000000, 0.0000368300000000 ] - [ -0.0186007600000000, -0.0072842600000000, 0.0019615900000000 ] - [ -0.0001341000000000, -0.0013248900000000, -0.0000718800000000 ] - [ 0.0018530600000000, -0.0004960400000000, 0.0013996300000000 ] - [ 0.0002353300000000, 0.0003903300000000, 0.0002069700000000 ] - [ -0.0001243700000000, -0.0009299500000000, 0.0000546600000000 ] - [ -0.0002445700000000, -0.0004212200000000, 0.0001749600000000 ] - [ 0.0003232300000000, -0.0001305200000000, 0.0001791400000000 ] - [ 0.0025123200000000, 0.0010151000000000, -0.0004279900000000 ] - [ -0.0003965700000000, 0.0021608300000000, -0.0004941600000000 ] - [ -0.0004852000000000, 0.0005270700000000, 0.0000944600000000 ] - [ -0.0004666300000000, -0.0009500800000000, 0.0000534700000000 ] - [ -0.0004083200000000, 0.0005629500000000, -0.0000316800000000 ] - [ -0.0001528200000000, -0.0001268500000000, -0.0001299200000000 ] - [ 0.0002190300000000, 0.0000536000000000, 0.0000123400000000 ] - [ 0.0003471400000000, -0.0008309300000000, 0.0000327100000000 ] - [ -0.0024409300000000, -0.0032884300000000, -0.0003309500000000 ] - [ 0.0007639700000000, 0.0010072000000000, -0.0001789500000000 ] - [ -0.0009939800000000, 0.0003462600000000, 0.0005758200000000 ] - [ -0.0001961200000000, 0.0000542800000000, 0.0000870200000000 ] - [ -0.0000910100000000, -0.0007473100000000, 0.0001395800000000 ] - [ 0.0023427000000000, 0.0021782500000000, 0.0006430800000000 ] - [ 0.0004498000000000, 0.0005327700000000, 0.0017297600000000 ] - [ 0.0001518500000000, -0.0006487100000000, -0.0001852500000000 ] - [ 0.1238742000000000, 0.1206342600000000, -0.0642240300000000 ] - [ -0.0002419800000000, -0.0014062200000000, -0.0003258200000000 ] - [ -0.0002934400000000, 0.0005683900000000, -0.0000387400000000 ] - [ -0.0005579800000000, -0.0001065700000000, 0.0007615800000000 ] - [ -0.0000728200000000, -0.0010385800000000, 0.0003672800000000 ] - [ -0.0005137700000000, 0.0009964200000000, -0.0003063800000000 ] - [ -0.0036280900000000, 0.0016723500000000, 0.0000891400000000 ] - [ 0.0008230900000000, 0.0002285900000000, 0.0006065900000000 ] - [ -0.0005048000000000, 0.0005030200000000, -0.0000685200000000 ] - [ -0.0013395000000000, -0.0010413100000000, -0.0028887400000000 ] - [ 0.0000652900000000, 0.0000164100000000, -0.0001890800000000 ] - [ -0.0007894900000000, 0.0005660200000000, 0.0013622400000000 ] - [ -0.0013122500000000, -0.0006957500000000, -0.0001746700000000 ] - [ -0.0000222800000000, 0.0012473600000000, 0.0001839300000000 ] - [ 0.0013585400000000, -0.0006648300000000, 0.0006929800000000 ] - [ -0.0003609300000000, 0.0005484300000000, -0.0004436000000000 ] - [ -0.0007658800000000, 0.0002498200000000, -0.0000748900000000 ] - [ 0.0031395400000000, -0.0018782900000000, 0.0080080800000000 ] - [ -0.0125957000000000, -0.0219359400000000, -0.0029038100000000 ] - [ -0.0008074400000000, 0.0002687300000000, -0.0003608800000000 ] - [ 0.0002076300000000, 0.0007464000000000, -0.0000457400000000 ] - [ -0.0008257700000000, 0.0000622300000000, -0.0000278000000000 ] - [ -0.0010886000000000, -0.0002394200000000, 0.0001322800000000 ] - [ 0.0001927700000000, 0.0003332300000000, -0.0002699200000000 ] - [ 0.0004276900000000, 0.0001658900000000, 0.0001117600000000 ] - [ -0.0005193700000000, 0.0001948700000000, -0.0000197500000000 ] - [ -0.0001503900000000, -0.0006941700000000, -0.0003473900000000 ] - [ -0.0010267100000000, -0.0001148100000000, 0.0000779500000000 ] - [ -0.0003796200000000, -0.0006394800000000, -0.0004784000000000 ] - [ 0.0000581100000000, -0.0004967800000000, -0.0001562900000000 ] - [ -0.0000964100000000, 0.0003682400000000, -0.0000743200000000 ] - [ 0.0003749400000000, 0.0007009500000000, -0.0000735100000000 ] - [ 0.0001437900000000, -0.0004203200000000, -0.0000557100000000 ] - [ -0.0032648400000000, 0.0012492300000000, -0.0004905800000000 ] - [ -0.0006237700000000, 0.0005039200000000, -0.0001155300000000 ] - [ -0.0001225400000000, 0.0001181300000000, 0.0000379300000000 ] - [ 0.0007209600000000, -0.0002991800000000, 0.0001895800000000 ] - [ -0.0003393900000000, 0.0002198200000000, -0.0000701900000000 ] - [ -0.0007695100000000, 0.0000823000000000, 0.0000661000000000 ] - [ -0.0005380300000000, -0.0003846000000000, -0.0000729500000000 ] - [ -0.0014468300000000, -0.0000390600000000, 0.0002029200000000 ] - [ -0.0011211400000000, 0.0008962300000000, 0.0001337000000000 ] - [ -0.0000832500000000, 0.0003118300000000, 0.0008125400000000 ] - [ -0.0003321800000000, -0.0008766500000000, -0.0003858700000000 ] - [ 0.0057473700000000, 0.0130346500000000, 0.0018240600000000 ] - [ -0.0007621100000000, 0.0001470300000000, 0.0000092400000000 ] - [ -0.0013643300000000, -0.0003217300000000, 0.0001673500000000 ]- atom: 122 displacement: [ -0.0050000000052997, 0.0086602540347846, 0.0000000000000000 ] forces: - [ 0.0004362000000000, -0.0009011300000000, 0.0003004300000000 ] - [ -0.0003411500000000, -0.0004101500000000, 0.0000593100000000 ] - [ 0.0004277800000000, -0.0000211100000000, 0.0002694500000000 ] - [ -0.0002970600000000, -0.0004582400000000, 0.0002097100000000 ] - [ -0.0013781500000000, -0.0005192000000000, -0.0007170500000000 ] - [ 0.0000538700000000, 0.0004395200000000, 0.0002403000000000 ] - [ 0.0005140000000000, -0.0002168000000000, 0.0000947900000000 ] - [ 0.0005511300000000, -0.0008682200000000, 0.0000159400000000 ] - [ 0.0029169300000000, 0.0011546100000000, 0.0020698500000000 ] - [ -0.0013087000000000, -0.0013412600000000, 0.0007008500000000 ] - [ 0.0005164500000000, -0.0008487400000000, -0.0002677700000000 ] - [ 0.0012758800000000, 0.0016056700000000, -0.0014521400000000 ] - [ -0.0002892400000000, -0.0003906100000000, 0.0000558200000000 ] - [ 0.0019984600000000, 0.0012951800000000, 0.0026828800000000 ] - [ -0.0015523900000000, -0.0007422600000000, -0.0006611500000000 ] - [ 0.0003354100000000, -0.0007001100000000, 0.0003452400000000 ] - [ 0.0000672500000000, 0.0001755800000000, 0.0001113200000000 ] - [ -0.0013771700000000, 0.0040194700000000, 0.0009181700000000 ] - [ -0.0010596900000000, -0.0000077200000000, 0.0004138700000000 ] - [ 0.0000110800000000, 0.0002317500000000, 0.0001116200000000 ] - [ 0.0005281500000000, -0.0002602300000000, -0.0000241100000000 ] - [ 0.0004656500000000, -0.0002507000000000, -0.0000044100000000 ] - [ 0.0000007400000000, 0.0001816800000000, 0.0000033000000000 ] - [ -0.0003844500000000, -0.0003699600000000, 0.0000644300000000 ] - [ 0.0009518700000000, 0.0006889300000000, -0.0002348600000000 ] - [ -0.0013057100000000, 0.0016993800000000, 0.0001569100000000 ] - [ -0.0001462400000000, -0.0005965900000000, 0.0001869600000000 ] - [ 0.0085549300000000, 0.0370166600000000, -0.0151684000000000 ] - [ -0.0038464300000000, 0.0054076500000000, 0.0012474500000000 ] - [ -0.0014728200000000, -0.0017222400000000, -0.0000878200000000 ] - [ -0.0018698400000000, -0.0010108900000000, -0.0001524200000000 ] - [ -0.0001836500000000, -0.0012312400000000, 0.0017081000000000 ] - [ 0.0004221000000000, 0.0002366000000000, 0.0003874200000000 ] - [ 0.0036424400000000, -0.0094565700000000, -0.0015293000000000 ] - [ 0.0005164400000000, -0.0001858400000000, -0.0001188800000000 ] - [ 0.0004017900000000, -0.0014297300000000, -0.0000655700000000 ] - [ -0.0006570600000000, -0.0015283700000000, 0.0001352300000000 ] - [ -0.0021148600000000, -0.0019686800000000, 0.0004446100000000 ] - [ 0.0008835000000000, -0.0014322900000000, 0.0004397400000000 ] - [ 0.0009524800000000, -0.0000137100000000, 0.0001395000000000 ] - [ 0.0034858400000000, -0.0013856900000000, 0.0004931300000000 ] - [ 0.0007424300000000, 0.0011540400000000, -0.0008766600000000 ] - [ -0.0005189000000000, -0.0000825300000000, 0.0004125300000000 ] - [ 0.0004043800000000, 0.0001175000000000, -0.0001559800000000 ] - [ 0.0019322200000000, -0.0004913600000000, 0.0004033400000000 ] - [ 0.0000176900000000, 0.0003609900000000, -0.0002562300000000 ] - [ -0.0003145400000000, 0.0066572900000000, 0.0077805300000000 ] - [ 0.0013721900000000, -0.0017049200000000, -0.0003044500000000 ] - [ -0.0008711700000000, -0.0040068400000000, -0.0012737000000000 ] - [ 0.0000694900000000, 0.0017522200000000, 0.0010548200000000 ] - [ -0.0000476800000000, -0.0002429600000000, -0.0007042800000000 ] - [ 0.0023760700000000, -0.0013700100000000, 0.0006771000000000 ] - [ -0.0003668200000000, -0.0020342100000000, 0.0005611100000000 ] - [ 0.0004862200000000, -0.0016025500000000, 0.0001336300000000 ] - [ 0.0114613400000000, 0.1921062400000000, -0.0104726300000000 ] - [ 0.0017278500000000, -0.0018368700000000, -0.0005804100000000 ] - [ 0.0008223800000000, -0.0008585900000000, -0.0005225500000000 ] - [ -0.0012365500000000, -0.0005892900000000, 0.0000687100000000 ] - [ -0.0006382600000000, -0.0005750800000000, 0.0002359200000000 ] - [ 0.0032945100000000, -0.0008542000000000, 0.0004312500000000 ] - [ 0.0046374100000000, -0.0082708900000000, 0.0033309700000000 ] - [ -0.0009903200000000, -0.0002862500000000, -0.0005894100000000 ] - [ -0.0010172200000000, 0.0018198600000000, -0.0001470800000000 ] - [ 0.0017856000000000, 0.0005465500000000, -0.0004140800000000 ] - [ 0.0006911600000000, 0.0005373300000000, -0.0008316300000000 ] - [ -0.0015427500000000, -0.0000104000000000, 0.0002279700000000 ] - [ 0.0002278800000000, -0.0010275700000000, -0.0026206300000000 ] - [ 0.0009170800000000, -0.0003012400000000, 0.0003112300000000 ] - [ 0.0009186600000000, 0.0008230200000000, -0.0006083500000000 ] - [ -0.0019418600000000, 0.0039138100000000, 0.0025079400000000 ] - [ -0.0001123200000000, 0.0002604700000000, 0.0002856400000000 ] - [ -0.0011742400000000, -0.0009667800000000, 0.0000111300000000 ] - [ 0.0009728500000000, 0.0001858800000000, -0.0000208400000000 ] - [ 0.0055982800000000, 0.0178714100000000, -0.0040587300000000 ] - [ 0.0008016500000000, -0.0000955500000000, 0.0001051900000000 ] - [ -0.0003206300000000, 0.0043838000000000, -0.0000174900000000 ] - [ -0.0000207100000000, 0.0011983100000000, 0.0001923100000000 ] - [ 0.0004569300000000, 0.0011707400000000, 0.0004782800000000 ] - [ -0.0001889400000000, 0.0001287400000000, -0.0010888400000000 ] - [ -0.0018529100000000, 0.0001045800000000, 0.0002350400000000 ] - [ -0.0001831000000000, 0.0001952700000000, -0.0000442300000000 ] - [ -0.0004553900000000, 0.0006392800000000, 0.0001657600000000 ] - [ 0.0002650600000000, -0.0015841500000000, -0.0000203700000000 ] - [ -0.0016913500000000, 0.0014265500000000, -0.0007149000000000 ] - [ 0.0008181200000000, 0.0002481700000000, 0.0001265600000000 ] - [ -0.0005927900000000, 0.0009049700000000, 0.0000047700000000 ] - [ -0.0002890400000000, 0.0006223000000000, -0.0001328400000000 ] - [ 0.0010384800000000, -0.0014140200000000, -0.0005565300000000 ] - [ -0.0005105100000000, 0.0004758900000000, -0.0001020200000000 ] - [ 0.0073465900000000, 0.0104416600000000, -0.0163995000000000 ] - [ 0.0008913900000000, 0.0011267500000000, -0.0002172700000000 ] - [ -0.0008326100000000, 0.0003944300000000, 0.0001130700000000 ] - [ 0.0015955000000000, -0.0002556400000000, -0.0001087800000000 ] - [ 0.0009300400000000, 0.0005778800000000, -0.0001930400000000 ] - [ -0.0014419600000000, -0.0005947400000000, 0.0009508500000000 ] - [ 0.0001160500000000, 0.0004039000000000, 0.0000444300000000 ] - [ -0.0013160000000000, -0.0002400000000000, -0.0003514700000000 ] - [ 0.0011724600000000, 0.0005349900000000, -0.0002601100000000 ] - [ -0.0005857000000000, -0.0057706800000000, -0.0001501500000000 ] - [ 0.0004800500000000, -0.0000971900000000, -0.0000902700000000 ] - [ 0.0011977300000000, -0.0004688300000000, 0.0007086600000000 ] - [ -0.0003939100000000, 0.0022528200000000, 0.0001738400000000 ] - [ 0.0006235500000000, 0.0001924300000000, 0.0001232800000000 ] - [ 0.0000223200000000, 0.0007466900000000, -0.0003315100000000 ] - [ 0.0000358100000000, 0.0010401000000000, 0.0003001600000000 ] - [ -0.0026647200000000, 0.0025004200000000, -0.0007645400000000 ] - [ -0.0014898400000000, 0.0001504300000000, -0.0001348800000000 ] - [ -0.0015001000000000, 0.0007988000000000, 0.0002101700000000 ] - [ 0.0001537000000000, -0.0001028300000000, -0.0000525700000000 ] - [ -0.0009079200000000, -0.0005816700000000, -0.0003047200000000 ] - [ 0.0002454600000000, 0.0007389900000000, -0.0002465500000000 ] - [ -0.0001038200000000, 0.0012768400000000, 0.0000691300000000 ] - [ 0.0011661500000000, 0.0005166600000000, 0.0000729400000000 ] - [ 0.0006258300000000, -0.0007771600000000, 0.0000799200000000 ] - [ 0.0009182700000000, 0.0047697300000000, 0.0001744900000000 ] - [ 0.0000504300000000, -0.0016535900000000, -0.0000738800000000 ] - [ -0.0010141500000000, 0.0005599100000000, 0.0001712800000000 ] - [ 0.0004052400000000, 0.0003073700000000, -0.0000329600000000 ] - [ -0.0001762900000000, -0.0043192500000000, -0.0023349100000000 ] - [ -0.0011858100000000, 0.0019538200000000, 0.0036132100000000 ] - [ 0.0014808300000000, 0.0007884800000000, 0.0000651200000000 ] - [ -0.0433147400000000, -0.2822652900000000, 0.0339491100000000 ] - [ 0.0007158800000000, 0.0004743600000000, -0.0001990000000000 ] - [ -0.0000390800000000, 0.0001062700000000, -0.0001011200000000 ] - [ -0.0000723200000000, 0.0000526400000000, 0.0007962400000000 ] - [ 0.0009599200000000, -0.0008095800000000, 0.0001562700000000 ] - [ -0.0015085000000000, -0.0007751200000000, 0.0000453600000000 ] - [ -0.0010630000000000, -0.0028044700000000, 0.0000441200000000 ] - [ 0.0012756800000000, -0.0021320400000000, -0.0011593500000000 ] - [ 0.0003426700000000, 0.0001524500000000, 0.0000416700000000 ] - [ 0.0009065800000000, -0.0011307600000000, -0.0004027100000000 ] - [ -0.0000235000000000, 0.0005965400000000, -0.0001695800000000 ] - [ -0.0003064900000000, -0.0004055700000000, 0.0008789200000000 ] - [ 0.0005877000000000, 0.0001964600000000, 0.0000765700000000 ] - [ -0.0010238400000000, -0.0000311600000000, -0.0000381600000000 ] - [ -0.0005307800000000, 0.0012622100000000, -0.0030997700000000 ] - [ -0.0012473200000000, 0.0000948400000000, -0.0006422800000000 ] - [ -0.0001850000000000, -0.0000224700000000, -0.0000139800000000 ] - [ 0.0041209600000000, -0.0028522500000000, -0.0071145300000000 ] - [ 0.0111311000000000, -0.0009115900000000, 0.0008212500000000 ] - [ -0.0004448200000000, -0.0000594800000000, -0.0002883700000000 ] - [ -0.0034554900000000, 0.0016879500000000, -0.0007448400000000 ] - [ -0.0003817400000000, -0.0001353000000000, -0.0000357600000000 ] - [ 0.0002471300000000, 0.0000378400000000, -0.0002382300000000 ] - [ -0.0009909400000000, 0.0003615600000000, -0.0007170500000000 ] - [ 0.0000416800000000, 0.0007014900000000, 0.0000310800000000 ] - [ 0.0001348500000000, 0.0004174900000000, 0.0001130100000000 ] - [ 0.0008270900000000, 0.0009665000000000, 0.0001180300000000 ] - [ -0.0005897200000000, -0.0003661900000000, 0.0000286900000000 ] - [ 0.0004356900000000, -0.0000042400000000, -0.0000644000000000 ] - [ 0.0003116500000000, 0.0012198300000000, -0.0001377300000000 ] - [ -0.0015345900000000, 0.0013520100000000, 0.0001337700000000 ] - [ -0.0000666900000000, 0.0013269800000000, -0.0001532100000000 ] - [ -0.0001154500000000, 0.0008733400000000, -0.0003226700000000 ] - [ 0.0002679000000000, -0.0009363200000000, -0.0001518200000000 ] - [ -0.0000419600000000, 0.0003274300000000, -0.0000907600000000 ] - [ -0.0006471100000000, 0.0005959400000000, 0.0001630600000000 ] - [ 0.0020565300000000, -0.0009323100000000, -0.0010958900000000 ] - [ -0.0007638300000000, 0.0008782100000000, 0.0000320000000000 ] - [ -0.0000880900000000, -0.0003724500000000, 0.0000701400000000 ] - [ -0.0000939000000000, 0.0004097400000000, -0.0002634400000000 ] - [ -0.0006271200000000, -0.0006765300000000, 0.0001264900000000 ] - [ -0.0006445100000000, 0.0007006700000000, 0.0000695300000000 ] - [ -0.0005685600000000, 0.0007813400000000, 0.0009053500000000 ] - [ -0.0001695600000000, -0.0002648400000000, -0.0001980100000000 ] - [ -0.0064351900000000, 0.0318219700000000, 0.0075633700000000 ] - [ 0.0003029900000000, 0.0005276600000000, 0.0001968200000000 ] - [ -0.0008204200000000, -0.0005306400000000, 0.0001090900000000 ]- atom: 122 displacement: [ 0.0050000000052997, -0.0086602540347846, 0.0000000000000000 ] forces: - [ -0.0004964700000000, 0.0009291200000000, -0.0000745800000000 ] - [ 0.0003399600000000, 0.0004095400000000, 0.0000587400000000 ] - [ -0.0003058600000000, 0.0001807100000000, 0.0001895400000000 ] - [ 0.0001736600000000, 0.0002963700000000, 0.0002471200000000 ] - [ 0.0010682000000000, 0.0003301700000000, 0.0007521600000000 ] - [ 0.0001445900000000, -0.0004642300000000, 0.0002182200000000 ] - [ -0.0005142700000000, 0.0002170000000000, 0.0000209700000000 ] - [ -0.0004879500000000, 0.0008335600000000, 0.0002075400000000 ] - [ -0.0029133300000000, -0.0011283300000000, -0.0019500100000000 ] - [ 0.0013805200000000, 0.0011605100000000, -0.0002418100000000 ] - [ -0.0002129800000000, 0.0010417800000000, 0.0003026300000000 ] - [ -0.0012716700000000, -0.0015834900000000, 0.0015146700000000 ] - [ 0.0002903600000000, 0.0003902000000000, 0.0000617900000000 ] - [ -0.0020421700000000, -0.0013420200000000, -0.0024583500000000 ] - [ 0.0013573400000000, 0.0007602500000000, 0.0011198700000000 ] - [ -0.0004110100000000, 0.0008822000000000, 0.0001135000000000 ] - [ -0.0000662500000000, -0.0002436400000000, 0.0001116900000000 ] - [ 0.0015999100000000, -0.0041264900000000, -0.0008824300000000 ] - [ 0.0010447400000000, 0.0003587800000000, -0.0003793500000000 ] - [ -0.0000188300000000, -0.0001635300000000, 0.0001132700000000 ] - [ -0.0002095800000000, 0.0000919000000000, 0.0000595900000000 ] - [ -0.0004676800000000, 0.0002498000000000, 0.0000690300000000 ] - [ 0.0000133500000000, -0.0005407700000000, 0.0000306100000000 ] - [ 0.0000651400000000, 0.0005372000000000, -0.0000280900000000 ] - [ -0.0011171900000000, -0.0019560700000000, -0.0002625000000000 ] - [ 0.0010165800000000, -0.0013584100000000, -0.0002125500000000 ] - [ 0.0014302400000000, -0.0005330300000000, -0.0002974900000000 ] - [ -0.0075510800000000, -0.0362252400000000, 0.0146628500000000 ] - [ 0.0038490800000000, -0.0053901600000000, -0.0004549700000000 ] - [ 0.0011212000000000, 0.0000575100000000, -0.0000220800000000 ] - [ 0.0002484500000000, 0.0004663700000000, 0.0000483600000000 ] - [ 0.0002179300000000, 0.0011840200000000, -0.0009036800000000 ] - [ -0.0004690800000000, -0.0002348200000000, 0.0004175100000000 ] - [ -0.0046647900000000, 0.0101906000000000, 0.0010315600000000 ] - [ -0.0001691900000000, 0.0018497700000000, 0.0000108600000000 ] - [ -0.0008226500000000, 0.0013419100000000, 0.0000211300000000 ] - [ 0.0006610600000000, 0.0015662800000000, 0.0006620800000000 ] - [ 0.0008322800000000, 0.0030973200000000, -0.0005557400000000 ] - [ -0.0008879900000000, 0.0013865300000000, 0.0003604800000000 ] - [ -0.0006793700000000, -0.0003227800000000, -0.0001893000000000 ] - [ -0.0033366700000000, 0.0018019600000000, -0.0005363400000000 ] - [ -0.0019346200000000, -0.0016708300000000, 0.0003818700000000 ] - [ 0.0005545300000000, 0.0000721200000000, 0.0003907000000000 ] - [ 0.0012169100000000, 0.0004223700000000, 0.0000522500000000 ] - [ -0.0015062600000000, 0.0005775500000000, -0.0004458000000000 ] - [ 0.0001372900000000, 0.0009223600000000, -0.0002448800000000 ] - [ 0.0001770400000000, -0.0070369400000000, -0.0078112800000000 ] - [ -0.0003288400000000, 0.0009220800000000, -0.0001926800000000 ] - [ 0.0011226900000000, 0.0029552500000000, 0.0001329000000000 ] - [ 0.0015219500000000, -0.0014189200000000, -0.0004171500000000 ] - [ -0.0001507300000000, 0.0008697500000000, -0.0005717000000000 ] - [ -0.0012297600000000, 0.0001313800000000, -0.0000068100000000 ] - [ 0.0010527100000000, 0.0015048700000000, -0.0001965700000000 ] - [ -0.0006047100000000, 0.0007705600000000, 0.0002202200000000 ] - [ -0.0096330800000000, -0.1823509500000000, 0.0104369600000000 ] - [ -0.0010245200000000, 0.0016942400000000, -0.0006873100000000 ] - [ -0.0010776900000000, 0.0018917900000000, -0.0006136400000000 ] - [ 0.0013531400000000, 0.0014175900000000, 0.0002856800000000 ] - [ -0.0001236300000000, 0.0002502500000000, 0.0001172000000000 ] - [ -0.0037837600000000, -0.0007383900000000, 0.0002411200000000 ] - [ -0.0056663300000000, 0.0085620600000000, -0.0044754500000000 ] - [ 0.0002354100000000, -0.0004812300000000, -0.0005494300000000 ] - [ 0.0020650400000000, -0.0021104600000000, -0.0009926400000000 ] - [ -0.0022222300000000, -0.0010982500000000, -0.0008620200000000 ] - [ -0.0005031100000000, -0.0011577000000000, -0.0004437900000000 ] - [ 0.0008590200000000, 0.0005406600000000, 0.0001348600000000 ] - [ -0.0009345900000000, 0.0011734200000000, 0.0013342200000000 ] - [ -0.0004077600000000, 0.0019009500000000, 0.0003602400000000 ] - [ -0.0001712700000000, -0.0000618000000000, -0.0005287000000000 ] - [ 0.0023675600000000, -0.0033743400000000, -0.0037219200000000 ] - [ -0.0015399700000000, -0.0006178000000000, 0.0003899100000000 ] - [ 0.0019358800000000, 0.0012855700000000, 0.0003419100000000 ] - [ -0.0003630500000000, 0.0001251500000000, 0.0001914800000000 ] - [ -0.0049900800000000, -0.0176481000000000, 0.0043275900000000 ] - [ 0.0000666400000000, 0.0003725300000000, 0.0001429700000000 ] - [ -0.0004706800000000, -0.0039517800000000, 0.0000756900000000 ] - [ 0.0001661700000000, -0.0013488400000000, -0.0002365800000000 ] - [ -0.0002639300000000, -0.0008862300000000, -0.0005920300000000 ] - [ 0.0002593900000000, 0.0003475300000000, 0.0007524700000000 ] - [ 0.0007498300000000, -0.0001621900000000, -0.0002205300000000 ] - [ -0.0005268200000000, 0.0000629500000000, 0.0000115500000000 ] - [ -0.0001212000000000, -0.0002678900000000, -0.0000014800000000 ] - [ 0.0003698700000000, 0.0006004400000000, 0.0000546600000000 ] - [ 0.0003028800000000, -0.0005280600000000, 0.0000120400000000 ] - [ -0.0002398800000000, -0.0006170000000000, 0.0000393300000000 ] - [ 0.0005564200000000, -0.0000017000000000, 0.0000532800000000 ] - [ 0.0013878000000000, -0.0005645300000000, 0.0001463800000000 ] - [ -0.0011914600000000, 0.0017216800000000, 0.0004399000000000 ] - [ 0.0003190800000000, -0.0007557600000000, -0.0000183500000000 ] - [ -0.0071634400000000, -0.0099621900000000, 0.0157833700000000 ] - [ -0.0008294700000000, -0.0009248600000000, 0.0001730900000000 ] - [ 0.0010501800000000, -0.0009022100000000, -0.0000025300000000 ] - [ -0.0010520800000000, 0.0004457400000000, -0.0000127100000000 ] - [ -0.0007231500000000, -0.0005323500000000, 0.0001477800000000 ] - [ 0.0015946300000000, 0.0006105300000000, 0.0006586300000000 ] - [ -0.0001753300000000, -0.0006065000000000, -0.0000868900000000 ] - [ 0.0009405000000000, 0.0005357300000000, 0.0000221700000000 ] - [ -0.0007255200000000, -0.0009215300000000, 0.0001422600000000 ] - [ -0.0007722600000000, 0.0050507900000000, -0.0005583200000000 ] - [ -0.0005925200000000, -0.0004698800000000, -0.0000339900000000 ] - [ -0.0013273300000000, 0.0012082700000000, -0.0007486400000000 ] - [ 0.0005921000000000, -0.0013649500000000, 0.0000752300000000 ] - [ -0.0006555300000000, -0.0008732000000000, 0.0000410500000000 ] - [ -0.0006307700000000, -0.0010581900000000, 0.0005014200000000 ] - [ -0.0006056300000000, -0.0015251000000000, -0.0003263900000000 ] - [ 0.0033250100000000, -0.0031206000000000, 0.0010130100000000 ] - [ 0.0015739100000000, 0.0014813200000000, -0.0005616900000000 ] - [ 0.0011744000000000, -0.0012573000000000, -0.0000994000000000 ] - [ -0.0009322100000000, -0.0003566800000000, 0.0001142100000000 ] - [ 0.0004532200000000, 0.0003882100000000, -0.0000337000000000 ] - [ 0.0002087000000000, -0.0005486000000000, -0.0000910500000000 ] - [ 0.0004231500000000, -0.0008156900000000, 0.0000393600000000 ] - [ -0.0011244000000000, -0.0014160300000000, -0.0000149600000000 ] - [ -0.0000540200000000, 0.0007440500000000, 0.0000323600000000 ] - [ -0.0015681200000000, -0.0043168700000000, 0.0000604400000000 ] - [ -0.0007608600000000, 0.0012991700000000, 0.0003176000000000 ] - [ 0.0008139400000000, -0.0014382500000000, 0.0000753400000000 ] - [ -0.0005500700000000, -0.0001562400000000, -0.0000098100000000 ] - [ 0.0006942200000000, 0.0052918400000000, 0.0023490600000000 ] - [ 0.0012675100000000, -0.0020656800000000, -0.0019709900000000 ] - [ -0.0011352200000000, -0.0008571400000000, -0.0003273800000000 ] - [ 0.0402764200000000, 0.2729577700000000, -0.0329846100000000 ] - [ -0.0008051700000000, -0.0001781600000000, -0.0000811300000000 ] - [ 0.0015088400000000, 0.0006394800000000, -0.0006002200000000 ] - [ 0.0000116200000000, -0.0001884200000000, 0.0008107000000000 ] - [ -0.0001682800000000, 0.0003740000000000, -0.0000973000000000 ] - [ 0.0009900200000000, -0.0002164200000000, -0.0000285000000000 ] - [ 0.0011824600000000, 0.0020872500000000, -0.0000645900000000 ] - [ -0.0019433200000000, 0.0027332700000000, 0.0013974000000000 ] - [ 0.0004364400000000, 0.0003104600000000, 0.0000197200000000 ] - [ -0.0005993000000000, 0.0008688500000000, -0.0000239000000000 ] - [ 0.0003991900000000, -0.0004717400000000, -0.0002682500000000 ] - [ 0.0003713300000000, 0.0005350100000000, 0.0007232200000000 ] - [ -0.0007982700000000, -0.0002428500000000, -0.0001217900000000 ] - [ 0.0010971000000000, 0.0001469200000000, 0.0000521800000000 ] - [ 0.0006776200000000, -0.0015630000000000, 0.0029841400000000 ] - [ 0.0008670200000000, -0.0002207900000000, 0.0002003600000000 ] - [ 0.0002617500000000, -0.0001094100000000, 0.0000315400000000 ] - [ -0.0042596800000000, 0.0028963400000000, 0.0086111400000000 ] - [ -0.0113479700000000, 0.0013313100000000, -0.0006933300000000 ] - [ 0.0001495900000000, 0.0003247700000000, -0.0001534200000000 ] - [ 0.0035668000000000, -0.0016852400000000, 0.0007556800000000 ] - [ 0.0000430700000000, 0.0001547900000000, -0.0000904700000000 ] - [ -0.0005937500000000, 0.0000325300000000, -0.0000245700000000 ] - [ 0.0009063700000000, -0.0007474900000000, 0.0002769400000000 ] - [ 0.0006218900000000, -0.0011251500000000, 0.0002097400000000 ] - [ -0.0001024200000000, 0.0002652100000000, 0.0000518900000000 ] - [ -0.0006058400000000, -0.0007105100000000, -0.0003831000000000 ] - [ 0.0000353500000000, 0.0004179900000000, 0.0000800200000000 ] - [ -0.0000927100000000, -0.0000124100000000, -0.0000579300000000 ] - [ -0.0008629000000000, -0.0014037000000000, 0.0000186300000000 ] - [ 0.0014662400000000, -0.0018354100000000, -0.0004704900000000 ] - [ 0.0006383800000000, -0.0008372600000000, 0.0001233400000000 ] - [ 0.0002058700000000, -0.0011708400000000, 0.0000431200000000 ] - [ -0.0003208300000000, 0.0010563000000000, 0.0001736200000000 ] - [ 0.0001558500000000, 0.0002441500000000, -0.0000333500000000 ] - [ 0.0005095400000000, -0.0005889900000000, -0.0001459200000000 ] - [ -0.0016698300000000, 0.0006359200000000, 0.0007518100000000 ] - [ 0.0003191100000000, -0.0004894600000000, -0.0001491200000000 ] - [ 0.0008072000000000, 0.0001152300000000, -0.0001037800000000 ] - [ -0.0001261700000000, -0.0006624100000000, -0.0000031400000000 ] - [ 0.0006097300000000, -0.0001216300000000, 0.0001169100000000 ] - [ 0.0000132400000000, 0.0002733500000000, -0.0000357900000000 ] - [ 0.0004759100000000, -0.0006545900000000, 0.0007079200000000 ] - [ 0.0000782800000000, -0.0013766100000000, -0.0005006200000000 ] - [ 0.0076907500000000, -0.0321233800000000, -0.0080690200000000 ] - [ -0.0002788800000000, 0.0002668700000000, 0.0000465800000000 ] - [ -0.0000369400000000, 0.0002586900000000, 0.0001366600000000 ]- atom: 122 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001488800000000, 0.0001474100000000, 0.0002036500000000 ] - [ 0.0000775200000000, 0.0001172000000000, 0.0000438900000000 ] - [ 0.0000557000000000, 0.0000582800000000, 0.0002463600000000 ] - [ 0.0000233300000000, 0.0000444900000000, 0.0002174000000000 ] - [ -0.0001967000000000, -0.0002682500000000, -0.0004265000000000 ] - [ 0.0001687600000000, -0.0000425400000000, 0.0001503400000000 ] - [ -0.0000107700000000, -0.0000119900000000, 0.0000388800000000 ] - [ -0.0000528600000000, 0.0000291800000000, 0.0000614100000000 ] - [ -0.0026643300000000, 0.0006300800000000, 0.0001843300000000 ] - [ 0.0006563900000000, 0.0008798000000000, 0.0005547600000000 ] - [ 0.0000300300000000, 0.0001129800000000, 0.0000791400000000 ] - [ 0.0011263200000000, -0.0011526000000000, -0.0010199300000000 ] - [ 0.0000784700000000, 0.0001273300000000, 0.0000792600000000 ] - [ -0.0028942200000000, 0.0005536400000000, -0.0016232300000000 ] - [ -0.0001472500000000, -0.0000930600000000, 0.0003696800000000 ] - [ -0.0001461700000000, 0.0001730900000000, 0.0001947600000000 ] - [ 0.0001115100000000, -0.0000521300000000, 0.0001474300000000 ] - [ -0.0014443300000000, 0.0009246700000000, 0.0032388700000000 ] - [ 0.0003112000000000, 0.0006797000000000, -0.0000746300000000 ] - [ 0.0001638100000000, 0.0000189500000000, 0.0000804400000000 ] - [ 0.0001673500000000, -0.0000916800000000, -0.0000036200000000 ] - [ 0.0000526300000000, -0.0000636400000000, 0.0000426400000000 ] - [ 0.0001861500000000, -0.0001791700000000, 0.0000626900000000 ] - [ -0.0001048500000000, 0.0002126000000000, 0.0000386300000000 ] - [ 0.0002317600000000, -0.0011321600000000, -0.0002604100000000 ] - [ 0.0004189700000000, -0.0004649900000000, -0.0007097700000000 ] - [ 0.0011369200000000, -0.0001547700000000, -0.0000851800000000 ] - [ -0.0426844700000000, -0.0428035400000000, 0.0532117500000000 ] - [ -0.0001111900000000, 0.0009508500000000, 0.0024475300000000 ] - [ 0.0000546600000000, -0.0005794100000000, -0.0000747800000000 ] - [ -0.0006077900000000, 0.0000519100000000, -0.0000499700000000 ] - [ -0.0005851900000000, 0.0005608400000000, -0.0005683500000000 ] - [ 0.0001476700000000, -0.0000351600000000, 0.0003686900000000 ] - [ -0.0004048500000000, -0.0012770300000000, -0.0007748500000000 ] - [ 0.0001354600000000, 0.0010208800000000, -0.0000262800000000 ] - [ -0.0002261800000000, 0.0001184800000000, -0.0000474200000000 ] - [ 0.0000760100000000, 0.0004967600000000, 0.0001945300000000 ] - [ -0.0004905300000000, 0.0010459200000000, -0.0000885600000000 ] - [ -0.0001020600000000, -0.0000032300000000, 0.0004456300000000 ] - [ 0.0003233800000000, -0.0002364100000000, -0.0000102200000000 ] - [ -0.0004026700000000, 0.0002473300000000, 0.0001312100000000 ] - [ -0.0002399400000000, -0.0007021900000000, -0.0008226900000000 ] - [ 0.0004379900000000, 0.0003203300000000, 0.0005223400000000 ] - [ 0.0009607400000000, 0.0003173600000000, -0.0000612200000000 ] - [ -0.0004440900000000, 0.0000970900000000, -0.0001144600000000 ] - [ 0.0002833200000000, 0.0006610300000000, -0.0002358500000000 ] - [ -0.0004386600000000, -0.0021593200000000, -0.0107841300000000 ] - [ 0.0004329900000000, -0.0003505000000000, -0.0002392400000000 ] - [ 0.0000575800000000, -0.0003537000000000, -0.0006709300000000 ] - [ 0.0025030100000000, 0.0006411000000000, 0.0024902600000000 ] - [ 0.0001702800000000, 0.0003973700000000, -0.0006063800000000 ] - [ 0.0003667600000000, -0.0007876900000000, 0.0000053200000000 ] - [ 0.0003927800000000, 0.0001099000000000, 0.0000570200000000 ] - [ -0.0001555400000000, -0.0001979400000000, 0.0001974100000000 ] - [ -0.0043693100000000, -0.0152276100000000, 0.0387273800000000 ] - [ 0.0002292500000000, 0.0000036900000000, -0.0005930000000000 ] - [ -0.0002983100000000, 0.0006358900000000, -0.0005330600000000 ] - [ 0.0004175900000000, 0.0008622300000000, 0.0000854900000000 ] - [ -0.0001178700000000, -0.0000280200000000, 0.0000885400000000 ] - [ -0.0002362400000000, -0.0008679400000000, 0.0007835700000000 ] - [ -0.0022642700000000, 0.0020354800000000, -0.0003592700000000 ] - [ -0.0000852700000000, -0.0001540500000000, -0.0005741600000000 ] - [ 0.0022883600000000, -0.0001985600000000, -0.0015054400000000 ] - [ 0.0000132400000000, -0.0003064100000000, 0.0003678700000000 ] - [ 0.0002255800000000, -0.0006111500000000, -0.0009117000000000 ] - [ -0.0001113600000000, 0.0002006000000000, 0.0005651700000000 ] - [ -0.0017013500000000, 0.0011808700000000, -0.0017985700000000 ] - [ 0.0001753400000000, 0.0010194100000000, 0.0002920000000000 ] - [ 0.0005940500000000, 0.0003482100000000, -0.0005814500000000 ] - [ 0.0010841700000000, -0.0019575700000000, -0.0133992700000000 ] - [ -0.0005808600000000, -0.0002281400000000, 0.0002759800000000 ] - [ 0.0006239700000000, 0.0005425800000000, 0.0002592600000000 ] - [ -0.0000135800000000, 0.0000373300000000, -0.0001454600000000 ] - [ 0.0002085900000000, -0.0027551500000000, -0.0030163000000000 ] - [ 0.0000931500000000, 0.0000208900000000, 0.0002093500000000 ] - [ -0.0002313900000000, -0.0005041700000000, -0.0000370500000000 ] - [ 0.0001129900000000, -0.0003255600000000, -0.0000749400000000 ] - [ 0.0000916700000000, 0.0000294400000000, 0.0000875000000000 ] - [ 0.0009400700000000, -0.0006056800000000, 0.0024735900000000 ] - [ 0.0002091400000000, -0.0002640500000000, 0.0003530100000000 ] - [ -0.0006482100000000, 0.0000588700000000, -0.0000473800000000 ] - [ -0.0002732100000000, 0.0001167200000000, 0.0000576100000000 ] - [ 0.0002684500000000, -0.0000908200000000, 0.0002751000000000 ] - [ -0.0006182000000000, 0.0004510600000000, -0.0002920500000000 ] - [ 0.0001791000000000, -0.0003454400000000, 0.0001830800000000 ] - [ 0.0000856200000000, 0.0004069800000000, 0.0000448900000000 ] - [ 0.0006056000000000, -0.0000066100000000, 0.0000095900000000 ] - [ -0.0011566400000000, -0.0001252000000000, -0.0004245400000000 ] - [ -0.0000343800000000, -0.0001790600000000, -0.0001065500000000 ] - [ -0.0037049800000000, -0.0219336000000000, 0.0116663800000000 ] - [ -0.0001411600000000, -0.0001889300000000, 0.0000203000000000 ] - [ 0.0004414400000000, -0.0001311400000000, 0.0003885600000000 ] - [ 0.0005201600000000, 0.0001048900000000, -0.0002332600000000 ] - [ -0.0000122600000000, -0.0001282300000000, 0.0000166100000000 ] - [ -0.0007145800000000, 0.0000994000000000, 0.0005106500000000 ] - [ -0.0001162700000000, -0.0002544400000000, -0.0000298700000000 ] - [ -0.0003454100000000, 0.0001457600000000, -0.0003494100000000 ] - [ -0.0000073100000000, -0.0005286900000000, 0.0001456800000000 ] - [ -0.0055686300000000, -0.0014670700000000, -0.0038443300000000 ] - [ -0.0001591800000000, -0.0005020800000000, -0.0000843800000000 ] - [ 0.0011496500000000, -0.0001590400000000, 0.0036561200000000 ] - [ 0.0001594400000000, 0.0003343600000000, 0.0001545100000000 ] - [ -0.0001161800000000, -0.0004987300000000, 0.0000526700000000 ] - [ -0.0003411900000000, -0.0003619000000000, 0.0001802700000000 ] - [ -0.0001250700000000, -0.0007342200000000, 0.0002144800000000 ] - [ 0.0012417500000000, -0.0003598100000000, -0.0006648900000000 ] - [ 0.0000156000000000, 0.0011164700000000, -0.0006257300000000 ] - [ -0.0001648800000000, -0.0002004600000000, -0.0000001900000000 ] - [ -0.0005241200000000, -0.0004067700000000, 0.0001003400000000 ] - [ -0.0000879900000000, 0.0001456500000000, -0.0000241900000000 ] - [ 0.0001457700000000, -0.0000192800000000, -0.0001573500000000 ] - [ 0.0002021500000000, -0.0000236900000000, 0.0000586300000000 ] - [ -0.0000260400000000, -0.0005923500000000, -0.0000204900000000 ] - [ -0.0004433200000000, -0.0006158000000000, -0.0002186900000000 ] - [ 0.0000232800000000, 0.0006673200000000, -0.0001834800000000 ] - [ -0.0007888400000000, 0.0002318100000000, 0.0005082200000000 ] - [ 0.0000888400000000, -0.0005657100000000, 0.0001381800000000 ] - [ -0.0002011300000000, -0.0001494800000000, 0.0000381700000000 ] - [ 0.0018663700000000, 0.0035822900000000, 0.0063801000000000 ] - [ 0.0003633300000000, -0.0000147000000000, 0.0017343400000000 ] - [ -0.0000033000000000, -0.0002778000000000, -0.0002075800000000 ] - [ 0.0640350000000000, 0.0765410100000000, -0.0997089400000000 ] - [ -0.0001263000000000, 0.0000783900000000, -0.0002040900000000 ] - [ 0.0005228900000000, 0.0004628800000000, -0.0002383200000000 ] - [ -0.0001357500000000, -0.0000946900000000, 0.0007874100000000 ] - [ -0.0000861000000000, -0.0005581000000000, 0.0002725600000000 ] - [ -0.0001075800000000, -0.0003239100000000, -0.0002721800000000 ] - [ 0.0003326000000000, -0.0003080300000000, -0.0008591400000000 ] - [ -0.0015861200000000, 0.0009288200000000, 0.0023435300000000 ] - [ 0.0002815400000000, 0.0002596300000000, 0.0000165500000000 ] - [ 0.0003864600000000, 0.0001088900000000, -0.0008398100000000 ] - [ 0.0001794000000000, -0.0000206900000000, -0.0001770200000000 ] - [ -0.0001629100000000, 0.0002360100000000, 0.0009958400000000 ] - [ -0.0002949100000000, -0.0000575500000000, -0.0001071800000000 ] - [ 0.0002134200000000, 0.0002085200000000, 0.0005829000000000 ] - [ 0.0004767400000000, -0.0010026800000000, 0.0001439500000000 ] - [ 0.0000217000000000, -0.0001658000000000, -0.0004492300000000 ] - [ -0.0001173600000000, -0.0000081400000000, 0.0000075500000000 ] - [ -0.0062955300000000, -0.0071776600000000, 0.0225676500000000 ] - [ 0.0041095800000000, 0.0040372700000000, -0.0075158500000000 ] - [ -0.0002222500000000, 0.0001591100000000, -0.0001910600000000 ] - [ -0.0002601600000000, 0.0003757800000000, -0.0002653700000000 ] - [ -0.0002608200000000, 0.0000288700000000, -0.0000350400000000 ] - [ -0.0004732300000000, -0.0000474000000000, -0.0000663200000000 ] - [ 0.0001404900000000, -0.0001903600000000, -0.0000917500000000 ] - [ 0.0004019500000000, -0.0002652100000000, 0.0001421700000000 ] - [ -0.0000667900000000, 0.0003090700000000, 0.0001259300000000 ] - [ -0.0000855300000000, -0.0001961500000000, -0.0002052100000000 ] - [ -0.0003919100000000, 0.0000262800000000, 0.0000649800000000 ] - [ 0.0000437900000000, -0.0001011100000000, -0.0001211500000000 ] - [ -0.0002469300000000, -0.0003727400000000, 0.0000366600000000 ] - [ 0.0001287000000000, -0.0003101500000000, -0.0002228500000000 ] - [ 0.0003445700000000, 0.0002279400000000, -0.0000277100000000 ] - [ 0.0001168000000000, -0.0003468500000000, -0.0000828800000000 ] - [ -0.0007865200000000, 0.0004322600000000, -0.0002654600000000 ] - [ -0.0000503300000000, 0.0003029800000000, -0.0000583400000000 ] - [ -0.0000049900000000, -0.0000603000000000, 0.0000072600000000 ] - [ -0.0017096600000000, -0.0001438400000000, 0.0024100100000000 ] - [ -0.0001487300000000, 0.0001218000000000, -0.0000870800000000 ] - [ 0.0002410100000000, -0.0000526400000000, 0.0000065500000000 ] - [ -0.0001568200000000, -0.0002320600000000, -0.0001067200000000 ] - [ -0.0002062800000000, -0.0003051100000000, 0.0001298600000000 ] - [ -0.0004245900000000, 0.0005285800000000, 0.0000268100000000 ] - [ 0.0000029100000000, 0.0000298700000000, 0.0007776300000000 ] - [ -0.0000958400000000, -0.0009238400000000, -0.0003774800000000 ] - [ -0.0016780500000000, 0.0096290000000000, -0.0059019500000000 ] - [ -0.0002102800000000, 0.0003242500000000, 0.0001049800000000 ] - [ -0.0005546700000000, -0.0001287400000000, 0.0001405100000000 ]- atom: 122 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000926900000000, -0.0001136800000000, 0.0000206200000000 ] - [ -0.0000762900000000, -0.0001161500000000, 0.0000764200000000 ] - [ 0.0000604600000000, 0.0000953600000000, 0.0002118500000000 ] - [ -0.0001389000000000, -0.0001962900000000, 0.0002407500000000 ] - [ -0.0000992800000000, 0.0000749000000000, 0.0004708100000000 ] - [ 0.0000242300000000, 0.0000180400000000, 0.0003101000000000 ] - [ 0.0000096500000000, 0.0000135900000000, 0.0000713100000000 ] - [ 0.0001045600000000, -0.0000592300000000, 0.0001652100000000 ] - [ 0.0026607800000000, -0.0006349200000000, -0.0000879800000000 ] - [ -0.0005788200000000, -0.0010506300000000, -0.0001011400000000 ] - [ 0.0002676700000000, 0.0000866400000000, -0.0000458300000000 ] - [ -0.0011177500000000, 0.0011401000000000, 0.0010843300000000 ] - [ -0.0000766700000000, -0.0001248300000000, 0.0000419800000000 ] - [ 0.0028215100000000, -0.0005859800000000, 0.0018545800000000 ] - [ -0.0000420600000000, 0.0001183700000000, 0.0000855400000000 ] - [ 0.0000702700000000, 0.0000047700000000, 0.0002646600000000 ] - [ -0.0001109800000000, -0.0000107700000000, 0.0000771100000000 ] - [ 0.0015969200000000, -0.0010016500000000, -0.0030976700000000 ] - [ -0.0003295800000000, -0.0003177500000000, 0.0001121400000000 ] - [ -0.0001618600000000, 0.0000422900000000, 0.0001453300000000 ] - [ 0.0001534100000000, -0.0000702100000000, 0.0000398100000000 ] - [ -0.0000545700000000, 0.0000633800000000, 0.0000146800000000 ] - [ -0.0001619200000000, -0.0001800900000000, -0.0000295100000000 ] - [ -0.0002165600000000, -0.0000506500000000, -0.0000035400000000 ] - [ -0.0003830300000000, -0.0001530700000000, -0.0002378900000000 ] - [ -0.0006733600000000, 0.0008078600000000, 0.0006539200000000 ] - [ 0.0001592000000000, -0.0009586000000000, -0.0000262600000000 ] - [ 0.0423290900000000, 0.0416830200000000, -0.0532051900000000 ] - [ 0.0001374500000000, -0.0009375600000000, -0.0016710600000000 ] - [ -0.0003768600000000, -0.0010786700000000, -0.0000332100000000 ] - [ -0.0009993500000000, -0.0006036600000000, -0.0000541700000000 ] - [ 0.0006012900000000, -0.0005800900000000, 0.0013746000000000 ] - [ -0.0001937200000000, 0.0000404800000000, 0.0004359600000000 ] - [ -0.0006657600000000, 0.0020955400000000, 0.0002804300000000 ] - [ 0.0001898700000000, 0.0006465700000000, -0.0000815400000000 ] - [ -0.0002012000000000, -0.0001857700000000, 0.0000049700000000 ] - [ -0.0000607300000000, -0.0004517400000000, 0.0006075500000000 ] - [ -0.0008014300000000, 0.0000706600000000, -0.0000190400000000 ] - [ 0.0000852100000000, -0.0000361900000000, 0.0003532800000000 ] - [ -0.0000526300000000, -0.0001108500000000, -0.0000367700000000 ] - [ 0.0005622600000000, 0.0001698600000000, -0.0001680100000000 ] - [ -0.0009450300000000, 0.0001742700000000, 0.0003237200000000 ] - [ -0.0003900500000000, -0.0003264100000000, 0.0002804600000000 ] - [ 0.0006534100000000, 0.0002383500000000, -0.0000409900000000 ] - [ 0.0008680400000000, -0.0000260700000000, 0.0000699300000000 ] - [ -0.0001342900000000, 0.0006224300000000, -0.0002649700000000 ] - [ 0.0002615600000000, 0.0017006400000000, 0.0107399500000000 ] - [ 0.0006106000000000, -0.0004142600000000, -0.0002587200000000 ] - [ 0.0002111100000000, -0.0006673600000000, -0.0004613800000000 ] - [ -0.0008603000000000, -0.0002834400000000, -0.0018397900000000 ] - [ -0.0003750000000000, 0.0002344300000000, -0.0006687200000000 ] - [ 0.0007828900000000, -0.0004490700000000, 0.0006661100000000 ] - [ 0.0002823400000000, -0.0006435800000000, 0.0003062200000000 ] - [ 0.0000132600000000, -0.0006296600000000, 0.0001543000000000 ] - [ 0.0030555100000000, 0.0153311400000000, -0.0378350600000000 ] - [ 0.0004775300000000, -0.0001286600000000, -0.0006743800000000 ] - [ 0.0000314700000000, 0.0004009000000000, -0.0006042000000000 ] - [ -0.0002727700000000, -0.0000286800000000, 0.0002689300000000 ] - [ -0.0006504400000000, -0.0002771900000000, 0.0002627400000000 ] - [ -0.0002810500000000, -0.0007501700000000, -0.0001145300000000 ] - [ 0.0012271500000000, -0.0017487600000000, -0.0007655200000000 ] - [ -0.0006575300000000, -0.0006077800000000, -0.0005644000000000 ] - [ -0.0012471800000000, -0.0000959400000000, 0.0003582600000000 ] - [ -0.0004361300000000, -0.0002624900000000, -0.0016464400000000 ] - [ -0.0000164800000000, -0.0000232300000000, -0.0003605400000000 ] - [ -0.0005538200000000, 0.0003506800000000, -0.0002071200000000 ] - [ 0.0009941900000000, -0.0010588600000000, 0.0005468800000000 ] - [ 0.0003274700000000, 0.0006000800000000, 0.0003802500000000 ] - [ 0.0001532600000000, 0.0004158200000000, -0.0005547000000000 ] - [ -0.0006424000000000, 0.0025214400000000, 0.0120896600000000 ] - [ -0.0010770500000000, -0.0001411000000000, 0.0003997000000000 ] - [ 0.0001499000000000, -0.0002323200000000, 0.0000909000000000 ] - [ 0.0006239800000000, 0.0002640200000000, 0.0003225200000000 ] - [ 0.0005014900000000, 0.0031195900000000, 0.0032416900000000 ] - [ 0.0007643400000000, 0.0002418200000000, 0.0000482900000000 ] - [ -0.0005577600000000, 0.0009506100000000, 0.0001054900000000 ] - [ 0.0000456600000000, 0.0001706100000000, 0.0000310400000000 ] - [ 0.0000947900000000, 0.0002483500000000, -0.0002073800000000 ] - [ -0.0008752600000000, 0.0011040500000000, -0.0028162200000000 ] - [ -0.0013039600000000, 0.0002231100000000, -0.0003508100000000 ] - [ -0.0000655000000000, 0.0001943400000000, 0.0000042200000000 ] - [ -0.0002956700000000, 0.0002616500000000, 0.0001129700000000 ] - [ 0.0003495100000000, -0.0008815400000000, -0.0002490400000000 ] - [ -0.0007706900000000, 0.0004424900000000, -0.0004153400000000 ] - [ 0.0003891400000000, -0.0000350400000000, -0.0000136500000000 ] - [ -0.0001055100000000, 0.0004992600000000, 0.0000252200000000 ] - [ 0.0004933300000000, 0.0000517600000000, -0.0000036900000000 ] - [ 0.0010014500000000, 0.0004352200000000, 0.0003222500000000 ] - [ -0.0001513400000000, -0.0001032200000000, -0.0000103600000000 ] - [ 0.0038205300000000, 0.0225792900000000, -0.0121791200000000 ] - [ 0.0001935900000000, 0.0003942000000000, -0.0000613500000000 ] - [ -0.0002140100000000, -0.0003755300000000, -0.0002910300000000 ] - [ 0.0000064700000000, 0.0000751700000000, 0.0001071900000000 ] - [ 0.0002235100000000, 0.0001791800000000, -0.0000606400000000 ] - [ 0.0008710500000000, -0.0000740000000000, 0.0011059000000000 ] - [ 0.0000611600000000, 0.0000410600000000, -0.0000117500000000 ] - [ -0.0000367400000000, 0.0001519000000000, 0.0000209000000000 ] - [ 0.0004392500000000, 0.0001440200000000, -0.0002719000000000 ] - [ 0.0041239000000000, 0.0007350800000000, 0.0031103900000000 ] - [ 0.0000448100000000, -0.0000608800000000, -0.0000477500000000 ] - [ -0.0012576400000000, 0.0008578000000000, -0.0036736600000000 ] - [ 0.0000490100000000, 0.0005359900000000, 0.0001039400000000 ] - [ 0.0000720000000000, -0.0001847100000000, 0.0001178900000000 ] - [ -0.0002710000000000, 0.0000561400000000, -0.0000080800000000 ] - [ -0.0004440200000000, 0.0002478000000000, -0.0002567600000000 ] - [ -0.0005814200000000, -0.0002566100000000, 0.0009198600000000 ] - [ 0.0000749200000000, 0.0005356700000000, -0.0000817000000000 ] - [ -0.0001463200000000, -0.0002550600000000, 0.0000966800000000 ] - [ -0.0002665400000000, -0.0000500400000000, -0.0000261000000000 ] - [ -0.0003654700000000, -0.0003332000000000, -0.0003116600000000 ] - [ 0.0003075400000000, 0.0002074000000000, -0.0001782700000000 ] - [ 0.0001138500000000, 0.0004745200000000, 0.0000366700000000 ] - [ 0.0000442900000000, -0.0003188100000000, 0.0000901000000000 ] - [ 0.0009961700000000, 0.0005687300000000, 0.0003180300000000 ] - [ -0.0006914300000000, -0.0002543600000000, 0.0004350500000000 ] - [ 0.0000719400000000, -0.0005808300000000, -0.0002521200000000 ] - [ -0.0002925500000000, -0.0003107000000000, 0.0001190700000000 ] - [ 0.0000424500000000, 0.0003006400000000, -0.0000802100000000 ] - [ -0.0013405000000000, -0.0025716000000000, -0.0063726800000000 ] - [ -0.0002564300000000, -0.0001178500000000, -0.0001341200000000 ] - [ 0.0003464600000000, 0.0002086400000000, -0.0000581800000000 ] - [ -0.0624201100000000, -0.0737565800000000, 0.0990411100000000 ] - [ 0.0000305300000000, 0.0002132000000000, -0.0000780200000000 ] - [ 0.0009480500000000, 0.0002900000000000, -0.0004682600000000 ] - [ 0.0000772000000000, -0.0000494600000000, 0.0008236400000000 ] - [ 0.0008758800000000, 0.0001153800000000, -0.0002030800000000 ] - [ -0.0004187200000000, -0.0006599000000000, 0.0002804400000000 ] - [ -0.0002235800000000, -0.0003970300000000, 0.0008258000000000 ] - [ 0.0009362800000000, -0.0003063200000000, -0.0020860300000000 ] - [ 0.0005056600000000, 0.0001967800000000, 0.0000564100000000 ] - [ -0.0001036100000000, -0.0003723800000000, 0.0004133100000000 ] - [ 0.0001908900000000, 0.0001343500000000, -0.0002573300000000 ] - [ 0.0002204700000000, -0.0000917800000000, 0.0006108700000000 ] - [ 0.0000743500000000, 0.0000009000000000, 0.0000630700000000 ] - [ -0.0001372200000000, -0.0000955700000000, -0.0005654600000000 ] - [ -0.0003220900000000, 0.0006908500000000, -0.0002730900000000 ] - [ -0.0003893100000000, 0.0000520100000000, 0.0000181300000000 ] - [ 0.0001914700000000, -0.0001199600000000, 0.0000097900000000 ] - [ 0.0060442100000000, 0.0070247900000000, -0.0206783300000000 ] - [ -0.0043976600000000, -0.0035925200000000, 0.0076000000000000 ] - [ -0.0000642700000000, 0.0001060500000000, -0.0002472600000000 ] - [ 0.0004094400000000, -0.0003868800000000, 0.0002872400000000 ] - [ -0.0000785300000000, -0.0000112100000000, -0.0000871400000000 ] - [ 0.0001262900000000, 0.0001146100000000, -0.0001976100000000 ] - [ -0.0002253000000000, -0.0001880200000000, -0.0003467200000000 ] - [ 0.0002654400000000, -0.0001694700000000, 0.0001091300000000 ] - [ 0.0001088400000000, 0.0003725400000000, 0.0000432100000000 ] - [ 0.0002993100000000, 0.0004455800000000, -0.0000645200000000 ] - [ -0.0001576400000000, 0.0000256000000000, 0.0000315200000000 ] - [ 0.0002945200000000, 0.0000829600000000, 0.0000021100000000 ] - [ -0.0002969100000000, 0.0001816900000000, -0.0001641500000000 ] - [ -0.0001910400000000, -0.0001796700000000, -0.0001134900000000 ] - [ 0.0002254600000000, 0.0002575400000000, -0.0000125500000000 ] - [ -0.0000224500000000, 0.0000468400000000, -0.0001982300000000 ] - [ 0.0007149300000000, -0.0003022400000000, 0.0002869100000000 ] - [ 0.0001634200000000, 0.0002599000000000, -0.0000741200000000 ] - [ -0.0001284500000000, 0.0000628500000000, 0.0000094000000000 ] - [ 0.0020565600000000, -0.0001609000000000, -0.0027239100000000 ] - [ -0.0002833900000000, 0.0002602300000000, -0.0000389100000000 ] - [ 0.0004709000000000, -0.0001983400000000, -0.0000506800000000 ] - [ -0.0000596500000000, -0.0000212200000000, -0.0001625400000000 ] - [ 0.0001813000000000, -0.0004935300000000, 0.0001227500000000 ] - [ -0.0002001300000000, 0.0004485000000000, 0.0000003900000000 ] - [ -0.0001027600000000, 0.0000945500000000, 0.0008410100000000 ] - [ 0.0000087500000000, -0.0007273400000000, -0.0003295600000000 ] - [ 0.0030839500000000, -0.0106301500000000, 0.0051339900000000 ] - [ 0.0002342400000000, 0.0004732800000000, 0.0001477800000000 ] - [ -0.0003057300000000, -0.0001342500000000, 0.0001155200000000 ]