# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3a68927f-e6df-4fd9-8b8c-392ff6974c71/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 Tl2Ge2S5 / C2/c (15) / materials id 12307](https://mdr.nims.go.jp/datasets/dc622da5-9ee8-4e90-bee4-b7e23848ac70) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.445432155000000, -7.458646730000000, -0.211324090000000 ] # a - [ 7.445432155000000, 7.458646730000000, -0.211324090000000 ] # b - [ -2.279416140000000, 0.000000000000000, 8.386137600000000 ] # c points: - symbol: S # 1 coordinates: [ 0.463496140000000, 0.536503860000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.536503860000000, 0.463496140000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.109726450000000, 0.890273550000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.890273550000000, 0.109726450000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.998110560000000, 0.755886020000000, 0.043849050000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.244113980000000, 0.001889440000000, 0.456150950000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.001889440000000, 0.244113980000000, 0.956150950000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.755886020000000, 0.998110560000000, 0.543849050000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.238900790000000, 0.331940490000000, 0.428097140000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.668059510000000, 0.761099210000000, 0.071902860000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.761099210000000, 0.668059510000000, 0.571902860000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.331940490000000, 0.238900790000000, 0.928097140000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.761052560000000, 0.328487620000000, 0.558707260000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.671512380000000, 0.238947440000000, 0.941292740000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.238947440000000, 0.671512380000000, 0.441292740000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.328487620000000, 0.761052560000000, 0.058707260000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.530997020000000, 0.107006040000000, 0.231638270000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.892993960000000, 0.469002980000000, 0.268361730000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.469002980000000, 0.892993960000000, 0.768361730000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.107006040000000, 0.530997020000000, 0.731638270000000 ] mass: 32.065000 - symbol: Ge # 21 coordinates: [ 0.865622190000000, 0.270735890000000, 0.111113300000000 ] mass: 72.640000 - symbol: Ge # 22 coordinates: [ 0.729264110000000, 0.134377810000000, 0.388886700000000 ] mass: 72.640000 - symbol: Ge # 23 coordinates: [ 0.134377810000000, 0.729264110000000, 0.888886700000000 ] mass: 72.640000 - symbol: Ge # 24 coordinates: [ 0.270735890000000, 0.865622190000000, 0.611113300000000 ] mass: 72.640000 - symbol: Ge # 25 coordinates: [ 0.265458090000000, 0.519643990000000, 0.589980460000000 ] mass: 72.640000 - symbol: Ge # 26 coordinates: [ 0.480356010000000, 0.734541910000000, 0.910019540000000 ] mass: 72.640000 - symbol: Ge # 27 coordinates: [ 0.734541910000000, 0.480356010000000, 0.410019540000000 ] mass: 72.640000 - symbol: Ge # 28 coordinates: [ 0.519643990000000, 0.265458090000000, 0.089980460000000 ] mass: 72.640000 - symbol: Tl # 29 coordinates: [ 0.925261450000000, 0.799083430000000, 0.395155710000000 ] mass: 204.383300 - symbol: Tl # 30 coordinates: [ 0.200916570000000, 0.074738550000000, 0.104844290000000 ] mass: 204.383300 - symbol: Tl # 31 coordinates: [ 0.074738550000000, 0.200916570000000, 0.604844290000000 ] mass: 204.383300 - symbol: Tl # 32 coordinates: [ 0.799083430000000, 0.925261450000000, 0.895155710000000 ] mass: 204.383300 - symbol: Tl # 33 coordinates: [ 0.201582670000000, 0.458265870000000, 0.105596750000000 ] mass: 204.383300 - symbol: Tl # 34 coordinates: [ 0.541734130000000, 0.798417330000000, 0.394403250000000 ] mass: 204.383300 - symbol: Tl # 35 coordinates: [ 0.798417330000000, 0.541734130000000, 0.894403250000000 ] mass: 204.383300 - symbol: Tl # 36 coordinates: [ 0.458265870000000, 0.201582670000000, 0.605596750000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ 0.067677381837637, -0.067036289302845, 0.018395228391393 ] # a* - [ 0.067677381837637, 0.067036289302845, 0.018395228391393 ] # b* - [ 0.003410833881481, 0.000000000000000, 0.120171497042966 ] # c*unit_cell: lattice: - [ 14.890864310000000, 0.000000000000000, -0.422648180000000 ] # a - [ 0.000000000000000, 14.917293460000000, 0.000000000000000 ] # b - [ -2.279416140000000, 0.000000000000000, 8.386137600000000 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.036503860000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.963496140000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.390273550000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.500000000000000, 0.609726450000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.876998290000000, 0.878887730000000, 0.043849050000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.123001710000000, 0.878887730000000, 0.456150950000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.123001710000000, 0.121112270000000, 0.956150950000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.876998290000000, 0.121112270000000, 0.543849050000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.285420640000000, 0.046519850000000, 0.428097140000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.714579360000000, 0.046519850000000, 0.071902860000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.714579360000000, 0.953480150000000, 0.571902860000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.285420640000000, 0.953480150000000, 0.928097140000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.544770090000000, 0.783717530000000, 0.558707260000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.455229910000000, 0.783717530000000, 0.941292740000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.455229910000000, 0.216282470000000, 0.441292740000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.544770090000000, 0.216282470000000, 0.058707260000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.319001530000000, 0.788004510000000, 0.231638270000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.680998470000000, 0.788004510000000, 0.268361730000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.680998470000000, 0.211995490000000, 0.768361730000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.319001530000000, 0.211995490000000, 0.731638270000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.000000000000000, 0.536503860000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 22 coordinates: [ 0.000000000000000, 0.463496140000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 23 coordinates: [ 0.000000000000000, 0.890273550000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 24 coordinates: [ 0.000000000000000, 0.109726450000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 25 coordinates: [ 0.376998290000000, 0.378887730000000, 0.043849050000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 26 coordinates: [ 0.623001710000000, 0.378887730000000, 0.456150950000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 27 coordinates: [ 0.623001710000000, 0.621112270000000, 0.956150950000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 28 coordinates: [ 0.376998290000000, 0.621112270000000, 0.543849050000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 29 coordinates: [ 0.785420640000000, 0.546519850000000, 0.428097140000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 30 coordinates: [ 0.214579360000000, 0.546519850000000, 0.071902860000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 31 coordinates: [ 0.214579360000000, 0.453480150000000, 0.571902860000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 32 coordinates: [ 0.785420640000000, 0.453480150000000, 0.928097140000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 33 coordinates: [ 0.044770090000000, 0.283717530000000, 0.558707260000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 34 coordinates: [ 0.955229910000000, 0.283717530000000, 0.941292740000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 35 coordinates: [ 0.955229910000000, 0.716282470000000, 0.441292740000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 36 coordinates: [ 0.044770090000000, 0.716282470000000, 0.058707260000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 37 coordinates: [ 0.819001530000000, 0.288004510000000, 0.231638270000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 38 coordinates: [ 0.180998470000000, 0.288004510000000, 0.268361730000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 39 coordinates: [ 0.180998470000000, 0.711995490000000, 0.768361730000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 40 coordinates: [ 0.819001530000000, 0.711995490000000, 0.731638270000000 ] mass: 32.065000 reduced_to: 20 - symbol: Ge # 41 coordinates: [ 0.568179040000000, 0.702556850000000, 0.111113300000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 42 coordinates: [ 0.431820960000000, 0.702556850000000, 0.388886700000000 ] mass: 72.640000 reduced_to: 42 - symbol: Ge # 43 coordinates: [ 0.431820960000000, 0.297443150000000, 0.888886700000000 ] mass: 72.640000 reduced_to: 43 - symbol: Ge # 44 coordinates: [ 0.568179040000000, 0.297443150000000, 0.611113300000000 ] mass: 72.640000 reduced_to: 44 - symbol: Ge # 45 coordinates: [ 0.392551040000000, 0.127092950000000, 0.589980460000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 46 coordinates: [ 0.607448960000000, 0.127092950000000, 0.910019540000000 ] mass: 72.640000 reduced_to: 46 - symbol: Ge # 47 coordinates: [ 0.607448960000000, 0.872907050000000, 0.410019540000000 ] mass: 72.640000 reduced_to: 47 - symbol: Ge # 48 coordinates: [ 0.392551040000000, 0.872907050000000, 0.089980460000000 ] mass: 72.640000 reduced_to: 48 - symbol: Ge # 49 coordinates: [ 0.068179040000000, 0.202556850000000, 0.111113300000000 ] mass: 72.640000 reduced_to: 41 - symbol: Ge # 50 coordinates: [ 0.931820960000000, 0.202556850000000, 0.388886700000000 ] mass: 72.640000 reduced_to: 42 - symbol: Ge # 51 coordinates: [ 0.931820960000000, 0.797443150000000, 0.888886700000000 ] mass: 72.640000 reduced_to: 43 - symbol: Ge # 52 coordinates: [ 0.068179040000000, 0.797443150000000, 0.611113300000000 ] mass: 72.640000 reduced_to: 44 - symbol: Ge # 53 coordinates: [ 0.892551040000000, 0.627092950000000, 0.589980460000000 ] mass: 72.640000 reduced_to: 45 - symbol: Ge # 54 coordinates: [ 0.107448960000000, 0.627092950000000, 0.910019540000000 ] mass: 72.640000 reduced_to: 46 - symbol: Ge # 55 coordinates: [ 0.107448960000000, 0.372907050000000, 0.410019540000000 ] mass: 72.640000 reduced_to: 47 - symbol: Ge # 56 coordinates: [ 0.892551040000000, 0.372907050000000, 0.089980460000000 ] mass: 72.640000 reduced_to: 48 - symbol: Tl # 57 coordinates: [ 0.862172440000000, 0.936910990000000, 0.395155710000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 58 coordinates: [ 0.137827560000000, 0.936910990000000, 0.104844290000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 59 coordinates: [ 0.137827560000000, 0.063089010000000, 0.604844290000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 60 coordinates: [ 0.862172440000000, 0.063089010000000, 0.895155710000000 ] mass: 204.383300 reduced_to: 60 - symbol: Tl # 61 coordinates: [ 0.329924270000000, 0.128341600000000, 0.105596750000000 ] mass: 204.383300 reduced_to: 61 - symbol: Tl # 62 coordinates: [ 0.670075730000000, 0.128341600000000, 0.394403250000000 ] mass: 204.383300 reduced_to: 62 - symbol: Tl # 63 coordinates: [ 0.670075730000000, 0.871658400000000, 0.894403250000000 ] mass: 204.383300 reduced_to: 63 - symbol: Tl # 64 coordinates: [ 0.329924270000000, 0.871658400000000, 0.605596750000000 ] mass: 204.383300 reduced_to: 64 - symbol: Tl # 65 coordinates: [ 0.362172440000000, 0.436910990000000, 0.395155710000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 66 coordinates: [ 0.637827560000000, 0.436910990000000, 0.104844290000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 67 coordinates: [ 0.637827560000000, 0.563089010000000, 0.604844290000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 68 coordinates: [ 0.362172440000000, 0.563089010000000, 0.895155710000000 ] mass: 204.383300 reduced_to: 60 - symbol: Tl # 69 coordinates: [ 0.829924270000000, 0.628341600000000, 0.105596750000000 ] mass: 204.383300 reduced_to: 61 - symbol: Tl # 70 coordinates: [ 0.170075730000000, 0.628341600000000, 0.394403250000000 ] mass: 204.383300 reduced_to: 62 - symbol: Tl # 71 coordinates: [ 0.170075730000000, 0.371658400000000, 0.894403250000000 ] mass: 204.383300 reduced_to: 63 - symbol: Tl # 72 coordinates: [ 0.829924270000000, 0.371658400000000, 0.605596750000000 ] mass: 204.383300 reduced_to: 64supercell: lattice: - [ 14.890864310000000, 0.000000000000000, -0.422648180000000 ] # a - [ 0.000000000000000, 14.917293460000000, 0.000000000000000 ] # b - [ -4.558832280000000, 0.000000000000000, 16.772275199999999 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.036503860000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.500000000000000, 0.036503860000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.500000000000000, 0.963496140000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.500000000000000, 0.963496140000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 5 coordinates: [ 0.500000000000000, 0.390273550000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.500000000000000, 0.390273550000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.500000000000000, 0.609726450000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.500000000000000, 0.609726450000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.876998290000000, 0.878887730000000, 0.021924525000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.876998290000000, 0.878887730000000, 0.521924525000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.123001710000000, 0.878887730000000, 0.228075475000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.123001710000000, 0.878887730000000, 0.728075475000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 13 coordinates: [ 0.123001710000000, 0.121112270000000, 0.478075475000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.123001710000000, 0.121112270000000, 0.978075475000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.876998290000000, 0.121112270000000, 0.271924525000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.876998290000000, 0.121112270000000, 0.771924525000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 17 coordinates: [ 0.285420640000000, 0.046519850000000, 0.214048570000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.285420640000000, 0.046519850000000, 0.714048570000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.714579360000000, 0.046519850000000, 0.035951430000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.714579360000000, 0.046519850000000, 0.535951430000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.714579360000000, 0.953480150000000, 0.285951430000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.714579360000000, 0.953480150000000, 0.785951430000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.285420640000000, 0.953480150000000, 0.464048570000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.285420640000000, 0.953480150000000, 0.964048570000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 25 coordinates: [ 0.544770090000000, 0.783717530000000, 0.279353630000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.544770090000000, 0.783717530000000, 0.779353630000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.455229910000000, 0.783717530000000, 0.470646370000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.455229910000000, 0.783717530000000, 0.970646370000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 29 coordinates: [ 0.455229910000000, 0.216282470000000, 0.220646370000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.455229910000000, 0.216282470000000, 0.720646370000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.544770090000000, 0.216282470000000, 0.029353630000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.544770090000000, 0.216282470000000, 0.529353630000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.319001530000000, 0.788004510000000, 0.115819135000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.319001530000000, 0.788004510000000, 0.615819135000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.680998470000000, 0.788004510000000, 0.134180865000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.680998470000000, 0.788004510000000, 0.634180865000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 37 coordinates: [ 0.680998470000000, 0.211995490000000, 0.384180865000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.680998470000000, 0.211995490000000, 0.884180865000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.319001530000000, 0.211995490000000, 0.365819135000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.319001530000000, 0.211995490000000, 0.865819135000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 41 coordinates: [ 0.000000000000000, 0.536503860000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 42 coordinates: [ 0.000000000000000, 0.536503860000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.463496140000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.463496140000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.890273550000000, 0.375000000000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.890273550000000, 0.875000000000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 47 coordinates: [ 0.000000000000000, 0.109726450000000, 0.125000000000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 48 coordinates: [ 0.000000000000000, 0.109726450000000, 0.625000000000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 49 coordinates: [ 0.376998290000000, 0.378887730000000, 0.021924525000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 50 coordinates: [ 0.376998290000000, 0.378887730000000, 0.521924525000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 51 coordinates: [ 0.623001710000000, 0.378887730000000, 0.228075475000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 52 coordinates: [ 0.623001710000000, 0.378887730000000, 0.728075475000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 53 coordinates: [ 0.623001710000000, 0.621112270000000, 0.478075475000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 54 coordinates: [ 0.623001710000000, 0.621112270000000, 0.978075475000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 55 coordinates: [ 0.376998290000000, 0.621112270000000, 0.271924525000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 56 coordinates: [ 0.376998290000000, 0.621112270000000, 0.771924525000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 57 coordinates: [ 0.785420640000000, 0.546519850000000, 0.214048570000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 58 coordinates: [ 0.785420640000000, 0.546519850000000, 0.714048570000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 59 coordinates: [ 0.214579360000000, 0.546519850000000, 0.035951430000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 60 coordinates: [ 0.214579360000000, 0.546519850000000, 0.535951430000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 61 coordinates: [ 0.214579360000000, 0.453480150000000, 0.285951430000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 62 coordinates: [ 0.214579360000000, 0.453480150000000, 0.785951430000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 63 coordinates: [ 0.785420640000000, 0.453480150000000, 0.464048570000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 64 coordinates: [ 0.785420640000000, 0.453480150000000, 0.964048570000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 65 coordinates: [ 0.044770090000000, 0.283717530000000, 0.279353630000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 66 coordinates: [ 0.044770090000000, 0.283717530000000, 0.779353630000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 67 coordinates: [ 0.955229910000000, 0.283717530000000, 0.470646370000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 68 coordinates: [ 0.955229910000000, 0.283717530000000, 0.970646370000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 69 coordinates: [ 0.955229910000000, 0.716282470000000, 0.220646370000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 70 coordinates: [ 0.955229910000000, 0.716282470000000, 0.720646370000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 71 coordinates: [ 0.044770090000000, 0.716282470000000, 0.029353630000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 72 coordinates: [ 0.044770090000000, 0.716282470000000, 0.529353630000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 73 coordinates: [ 0.819001530000000, 0.288004510000000, 0.115819135000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 74 coordinates: [ 0.819001530000000, 0.288004510000000, 0.615819135000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 75 coordinates: [ 0.180998470000000, 0.288004510000000, 0.134180865000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 76 coordinates: [ 0.180998470000000, 0.288004510000000, 0.634180865000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 77 coordinates: [ 0.180998470000000, 0.711995490000000, 0.384180865000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 78 coordinates: [ 0.180998470000000, 0.711995490000000, 0.884180865000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 79 coordinates: [ 0.819001530000000, 0.711995490000000, 0.365819135000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 80 coordinates: [ 0.819001530000000, 0.711995490000000, 0.865819135000000 ] mass: 32.065000 reduced_to: 39 - symbol: Ge # 81 coordinates: [ 0.568179040000000, 0.702556850000000, 0.055556650000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 82 coordinates: [ 0.568179040000000, 0.702556850000000, 0.555556650000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 83 coordinates: [ 0.431820960000000, 0.702556850000000, 0.194443350000000 ] mass: 72.640000 reduced_to: 83 - symbol: Ge # 84 coordinates: [ 0.431820960000000, 0.702556850000000, 0.694443350000000 ] mass: 72.640000 reduced_to: 83 - symbol: Ge # 85 coordinates: [ 0.431820960000000, 0.297443150000000, 0.444443350000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 86 coordinates: [ 0.431820960000000, 0.297443150000000, 0.944443350000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 87 coordinates: [ 0.568179040000000, 0.297443150000000, 0.305556650000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 88 coordinates: [ 0.568179040000000, 0.297443150000000, 0.805556650000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 89 coordinates: [ 0.392551040000000, 0.127092950000000, 0.294990230000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 90 coordinates: [ 0.392551040000000, 0.127092950000000, 0.794990230000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 91 coordinates: [ 0.607448960000000, 0.127092950000000, 0.455009770000000 ] mass: 72.640000 reduced_to: 91 - symbol: Ge # 92 coordinates: [ 0.607448960000000, 0.127092950000000, 0.955009770000000 ] mass: 72.640000 reduced_to: 91 - symbol: Ge # 93 coordinates: [ 0.607448960000000, 0.872907050000000, 0.205009770000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 94 coordinates: [ 0.607448960000000, 0.872907050000000, 0.705009770000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 95 coordinates: [ 0.392551040000000, 0.872907050000000, 0.044990230000000 ] mass: 72.640000 reduced_to: 95 - symbol: Ge # 96 coordinates: [ 0.392551040000000, 0.872907050000000, 0.544990230000000 ] mass: 72.640000 reduced_to: 95 - symbol: Ge # 97 coordinates: [ 0.068179040000000, 0.202556850000000, 0.055556650000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 98 coordinates: [ 0.068179040000000, 0.202556850000000, 0.555556650000000 ] mass: 72.640000 reduced_to: 81 - symbol: Ge # 99 coordinates: [ 0.931820960000000, 0.202556850000000, 0.194443350000000 ] mass: 72.640000 reduced_to: 83 - symbol: Ge # 100 coordinates: [ 0.931820960000000, 0.202556850000000, 0.694443350000000 ] mass: 72.640000 reduced_to: 83 - symbol: Ge # 101 coordinates: [ 0.931820960000000, 0.797443150000000, 0.444443350000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 102 coordinates: [ 0.931820960000000, 0.797443150000000, 0.944443350000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 103 coordinates: [ 0.068179040000000, 0.797443150000000, 0.305556650000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 104 coordinates: [ 0.068179040000000, 0.797443150000000, 0.805556650000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 105 coordinates: [ 0.892551040000000, 0.627092950000000, 0.294990230000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 106 coordinates: [ 0.892551040000000, 0.627092950000000, 0.794990230000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 107 coordinates: [ 0.107448960000000, 0.627092950000000, 0.455009770000000 ] mass: 72.640000 reduced_to: 91 - symbol: Ge # 108 coordinates: [ 0.107448960000000, 0.627092950000000, 0.955009770000000 ] mass: 72.640000 reduced_to: 91 - symbol: Ge # 109 coordinates: [ 0.107448960000000, 0.372907050000000, 0.205009770000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 110 coordinates: [ 0.107448960000000, 0.372907050000000, 0.705009770000000 ] mass: 72.640000 reduced_to: 93 - symbol: Ge # 111 coordinates: [ 0.892551040000000, 0.372907050000000, 0.044990230000000 ] mass: 72.640000 reduced_to: 95 - symbol: Ge # 112 coordinates: [ 0.892551040000000, 0.372907050000000, 0.544990230000000 ] mass: 72.640000 reduced_to: 95 - symbol: Tl # 113 coordinates: [ 0.862172440000000, 0.936910990000000, 0.197577855000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 114 coordinates: [ 0.862172440000000, 0.936910990000000, 0.697577855000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 115 coordinates: [ 0.137827560000000, 0.936910990000000, 0.052422145000000 ] mass: 204.383300 reduced_to: 115 - symbol: Tl # 116 coordinates: [ 0.137827560000000, 0.936910990000000, 0.552422145000000 ] mass: 204.383300 reduced_to: 115 - symbol: Tl # 117 coordinates: [ 0.137827560000000, 0.063089010000000, 0.302422145000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 118 coordinates: [ 0.137827560000000, 0.063089010000000, 0.802422145000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 119 coordinates: [ 0.862172440000000, 0.063089010000000, 0.447577855000000 ] mass: 204.383300 reduced_to: 119 - symbol: Tl # 120 coordinates: [ 0.862172440000000, 0.063089010000000, 0.947577855000000 ] mass: 204.383300 reduced_to: 119 - symbol: Tl # 121 coordinates: [ 0.329924270000000, 0.128341600000000, 0.052798375000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 122 coordinates: [ 0.329924270000000, 0.128341600000000, 0.552798375000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 123 coordinates: [ 0.670075730000000, 0.128341600000000, 0.197201625000000 ] mass: 204.383300 reduced_to: 123 - symbol: Tl # 124 coordinates: [ 0.670075730000000, 0.128341600000000, 0.697201625000000 ] mass: 204.383300 reduced_to: 123 - symbol: Tl # 125 coordinates: [ 0.670075730000000, 0.871658400000000, 0.447201625000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 126 coordinates: [ 0.670075730000000, 0.871658400000000, 0.947201625000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 127 coordinates: [ 0.329924270000000, 0.871658400000000, 0.302798375000000 ] mass: 204.383300 reduced_to: 127 - symbol: Tl # 128 coordinates: [ 0.329924270000000, 0.871658400000000, 0.802798375000000 ] mass: 204.383300 reduced_to: 127 - symbol: Tl # 129 coordinates: [ 0.362172440000000, 0.436910990000000, 0.197577855000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 130 coordinates: [ 0.362172440000000, 0.436910990000000, 0.697577855000000 ] mass: 204.383300 reduced_to: 113 - symbol: Tl # 131 coordinates: [ 0.637827560000000, 0.436910990000000, 0.052422145000000 ] mass: 204.383300 reduced_to: 115 - symbol: Tl # 132 coordinates: [ 0.637827560000000, 0.436910990000000, 0.552422145000000 ] mass: 204.383300 reduced_to: 115 - symbol: Tl # 133 coordinates: [ 0.637827560000000, 0.563089010000000, 0.302422145000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 134 coordinates: [ 0.637827560000000, 0.563089010000000, 0.802422145000000 ] mass: 204.383300 reduced_to: 117 - symbol: Tl # 135 coordinates: [ 0.362172440000000, 0.563089010000000, 0.447577855000000 ] mass: 204.383300 reduced_to: 119 - symbol: Tl # 136 coordinates: [ 0.362172440000000, 0.563089010000000, 0.947577855000000 ] mass: 204.383300 reduced_to: 119 - symbol: Tl # 137 coordinates: [ 0.829924270000000, 0.628341600000000, 0.052798375000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 138 coordinates: [ 0.829924270000000, 0.628341600000000, 0.552798375000000 ] mass: 204.383300 reduced_to: 121 - symbol: Tl # 139 coordinates: [ 0.170075730000000, 0.628341600000000, 0.197201625000000 ] mass: 204.383300 reduced_to: 123 - symbol: Tl # 140 coordinates: [ 0.170075730000000, 0.628341600000000, 0.697201625000000 ] mass: 204.383300 reduced_to: 123 - symbol: Tl # 141 coordinates: [ 0.170075730000000, 0.371658400000000, 0.447201625000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 142 coordinates: [ 0.170075730000000, 0.371658400000000, 0.947201625000000 ] mass: 204.383300 reduced_to: 125 - symbol: Tl # 143 coordinates: [ 0.829924270000000, 0.371658400000000, 0.302798375000000 ] mass: 204.383300 reduced_to: 127 - symbol: Tl # 144 coordinates: [ 0.829924270000000, 0.371658400000000, 0.802798375000000 ] mass: 204.383300 reduced_to: 127displacements:- atom: 1 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ -0.0657956600000000, -0.0005730400000000, -0.0507755100000000 ] - [ -0.0000508800000000, 0.0000884200000000, -0.0000224300000000 ] - [ -0.0002089900000000, 0.0000017800000000, -0.0000049000000000 ] - [ -0.0002109800000000, -0.0001747200000000, -0.0000083600000000 ] - [ -0.0011130800000000, -0.0000193900000000, -0.0001130200000000 ] - [ -0.0000566600000000, -0.0000193000000000, -0.0000605500000000 ] - [ -0.0000920400000000, 0.0000678200000000, 0.0000327000000000 ] - [ -0.0000914400000000, -0.0000300800000000, 0.0000319200000000 ] - [ 0.0000202900000000, -0.0000599400000000, 0.0002260700000000 ] - [ 0.0004296200000000, -0.0001564700000000, 0.0001216500000000 ] - [ 0.0006213300000000, 0.0000799600000000, -0.0002719900000000 ] - [ 0.0002199300000000, -0.0000186400000000, -0.0001654300000000 ] - [ 0.0004978100000000, -0.0000591900000000, -0.0003270900000000 ] - [ 0.0002380400000000, -0.0000606000000000, -0.0000014600000000 ] - [ 0.0002989600000000, 0.0001388600000000, 0.0000630000000000 ] - [ 0.0000381100000000, 0.0001390700000000, 0.0003918300000000 ] - [ 0.0044109300000000, -0.0002559200000000, 0.0047022400000000 ] - [ -0.0001020700000000, -0.0001776700000000, -0.0003530200000000 ] - [ 0.0001612100000000, -0.0002712000000000, 0.0000498400000000 ] - [ 0.0047465500000000, -0.0001887900000000, 0.0051899000000000 ] - [ 0.0009232700000000, -0.0003394900000000, -0.0007047500000000 ] - [ -0.0000071500000000, 0.0001847300000000, 0.0002556900000000 ] - [ 0.0006500800000000, 0.0007822600000000, -0.0010991100000000 ] - [ -0.0002693400000000, 0.0002652400000000, -0.0001473000000000 ] - [ -0.0000428900000000, 0.0003148100000000, -0.0000630600000000 ] - [ 0.0000084200000000, 0.0001598700000000, -0.0001764300000000 ] - [ -0.0002651700000000, 0.0001749600000000, 0.0003249500000000 ] - [ -0.0002130200000000, 0.0003278400000000, 0.0002131800000000 ] - [ -0.0021985600000000, -0.0002319100000000, -0.0006872900000000 ] - [ -0.0002547000000000, -0.0002883100000000, 0.0002538000000000 ] - [ -0.0000333600000000, -0.0001975500000000, -0.0001353200000000 ] - [ -0.0019800800000000, -0.0002817600000000, -0.0010890100000000 ] - [ -0.0001455700000000, 0.0000548300000000, 0.0001763900000000 ] - [ -0.0001433500000000, 0.0000772200000000, 0.0000579900000000 ] - [ -0.0002843800000000, -0.0000784000000000, -0.0002365800000000 ] - [ -0.0002873100000000, -0.0000558500000000, -0.0001176100000000 ] - [ 0.0036624600000000, 0.0072446500000000, -0.0008637900000000 ] - [ -0.0001964600000000, 0.0000050200000000, -0.0000434900000000 ] - [ 0.0037548900000000, -0.0071461500000000, -0.0005559900000000 ] - [ -0.0000556100000000, -0.0000028200000000, 0.0002524800000000 ] - [ 0.0001726700000000, 0.0000880500000000, 0.0000528500000000 ] - [ 0.0000468700000000, 0.0000876200000000, 0.0000924700000000 ] - [ 0.0001476800000000, -0.0001194500000000, 0.0001170100000000 ] - [ 0.0001483000000000, -0.0000572800000000, 0.0001179100000000 ] - [ 0.0002413600000000, -0.0000191000000000, -0.0002120700000000 ] - [ 0.0001037400000000, -0.0000193100000000, 0.0004337000000000 ] - [ 0.0002868400000000, -0.0000812500000000, 0.0000385700000000 ] - [ 0.0002872700000000, 0.0001189100000000, 0.0000381100000000 ] - [ -0.0001629000000000, -0.0000628300000000, 0.0001889100000000 ] - [ -0.0004451200000000, -0.0005080800000000, -0.0003786500000000 ] - [ -0.0002491400000000, 0.0004307500000000, -0.0007755700000000 ] - [ 0.0000353000000000, -0.0000171400000000, -0.0002028800000000 ] - [ -0.0000384300000000, -0.0001135200000000, -0.0001461400000000 ] - [ 0.0000650300000000, 0.0000476000000000, -0.0002371400000000 ] - [ -0.0002363000000000, 0.0001893700000000, 0.0002447500000000 ] - [ -0.0001334600000000, 0.0000312600000000, 0.0001546900000000 ] - [ -0.0000446300000000, -0.0000050500000000, -0.0002711300000000 ] - [ -0.0001282600000000, -0.0002272400000000, -0.0001293600000000 ] - [ 0.0001364400000000, -0.0002223600000000, 0.0002734600000000 ] - [ 0.0002201200000000, -0.0004437600000000, 0.0001320300000000 ] - [ 0.0002454100000000, -0.0000774900000000, 0.0004124600000000 ] - [ 0.0002442700000000, 0.0002360700000000, 0.0002409700000000 ] - [ -0.0000193200000000, 0.0005276300000000, 0.0000107900000000 ] - [ -0.0000193200000000, 0.0002128000000000, -0.0001614300000000 ] - [ 0.0003627400000000, 0.0002733100000000, -0.0000860000000000 ] - [ 0.0002250600000000, 0.0003024800000000, -0.0001473700000000 ] - [ 0.0001417300000000, 0.0002122000000000, 0.0003029800000000 ] - [ 0.0000026500000000, 0.0001848700000000, 0.0002413700000000 ] - [ 0.0000671300000000, -0.0001602800000000, 0.0001147700000000 ] - [ -0.0000706200000000, -0.0002758000000000, 0.0002693800000000 ] - [ 0.0001508000000000, -0.0002110100000000, -0.0001193300000000 ] - [ 0.0002894700000000, -0.0003271500000000, -0.0002743100000000 ] - [ 0.0002872400000000, -0.0000087000000000, 0.0001062200000000 ] - [ 0.0002060900000000, 0.0000460300000000, 0.0002072000000000 ] - [ 0.0000668000000000, -0.0000483500000000, -0.0000875400000000 ] - [ 0.0001463800000000, 0.0000073200000000, -0.0001882600000000 ] - [ 0.0000871500000000, 0.0001032800000000, -0.0002667200000000 ] - [ -0.0000218000000000, -0.0000114800000000, -0.0000978200000000 ] - [ 0.0002280600000000, -0.0001031300000000, 0.0000268900000000 ] - [ 0.0001179600000000, 0.0000131800000000, 0.0001971500000000 ] - [ 0.0001870200000000, 0.0000656100000000, 0.0001665500000000 ] - [ 0.0002241300000000, 0.0001234300000000, 0.0000175800000000 ] - [ 0.0002637200000000, -0.0000202600000000, -0.0001963400000000 ] - [ 0.0002287800000000, 0.0000367200000000, -0.0000450000000000 ] - [ 0.0034066600000000, 0.0021309300000000, 0.0027762400000000 ] - [ 0.0001601500000000, -0.0000225100000000, -0.0001199500000000 ] - [ 0.0033887600000000, -0.0022292800000000, 0.0030088600000000 ] - [ 0.0001185000000000, -0.0000792900000000, 0.0000915600000000 ] - [ 0.0236969600000000, -0.0206294600000000, 0.0185677600000000 ] - [ 0.0002920600000000, -0.0001158000000000, -0.0000803100000000 ] - [ 0.0237225900000000, 0.0209802600000000, 0.0194245300000000 ] - [ 0.0000164500000000, -0.0001403600000000, 0.0000696200000000 ] - [ 0.0007788800000000, 0.0004018800000000, 0.0004816200000000 ] - [ 0.0000276400000000, 0.0002099900000000, -0.0000282700000000 ] - [ 0.0002983500000000, 0.0000423600000000, -0.0001800900000000 ] - [ 0.0010460500000000, -0.0001517900000000, 0.0003352100000000 ] - [ -0.0003369700000000, 0.0002117600000000, -0.0001165300000000 ] - [ -0.0005629800000000, 0.0002271600000000, 0.0002004000000000 ] - [ -0.0005217600000000, -0.0001254300000000, -0.0000105600000000 ] - [ -0.0002955200000000, -0.0001105300000000, -0.0003281000000000 ] - [ -0.0004725800000000, 0.0001491400000000, 0.0002628900000000 ] - [ -0.0000737600000000, -0.0000037800000000, -0.0002215500000000 ] - [ -0.0005129500000000, -0.0002503200000000, 0.0004727500000000 ] - [ -0.0001163000000000, -0.0000975200000000, -0.0000105800000000 ] - [ -0.0001775000000000, -0.0000993800000000, 0.0000096600000000 ] - [ 0.0001229600000000, -0.0001003700000000, -0.0001880700000000 ] - [ -0.0004532000000000, -0.0001548400000000, 0.0001588000000000 ] - [ -0.0001532700000000, -0.0001546100000000, -0.0000377800000000 ] - [ -0.0004447800000000, 0.0002729000000000, -0.0001049500000000 ] - [ -0.0003483100000000, 0.0001478500000000, 0.0000149600000000 ] - [ -0.0000719300000000, 0.0001078700000000, -0.0001347800000000 ] - [ -0.0001695300000000, -0.0000179800000000, -0.0002558500000000 ] - [ -0.0003466600000000, 0.0002116700000000, 0.0001268100000000 ] - [ -0.0001582400000000, 0.0004351100000000, -0.0005434700000000 ] - [ -0.0001277200000000, -0.0001499700000000, -0.0004933800000000 ] - [ -0.0003179300000000, 0.0000706600000000, 0.0001710200000000 ] - [ -0.0010568500000000, -0.0002426900000000, 0.0004081100000000 ] - [ -0.0000701700000000, -0.0001272800000000, -0.0001051500000000 ] - [ -0.0010885800000000, -0.0000412900000000, 0.0003662300000000 ] - [ -0.0000993700000000, -0.0001553800000000, -0.0001493200000000 ] - [ 0.0003649300000000, 0.0004651300000000, -0.0005963100000000 ] - [ -0.0003221400000000, 0.0001975700000000, 0.0007312500000000 ] - [ -0.0002314100000000, 0.0002157300000000, 0.0008524800000000 ] - [ 0.0004565000000000, -0.0000559500000000, -0.0004759100000000 ] - [ 0.0001754700000000, -0.0001028800000000, 0.0005841900000000 ] - [ 0.0000574500000000, -0.0001692300000000, 0.0000137200000000 ] - [ 0.0000901900000000, -0.0003265100000000, 0.0004561500000000 ] - [ -0.0000309300000000, -0.0002430800000000, -0.0001061000000000 ] - [ 0.0002184600000000, 0.0001489000000000, -0.0001030800000000 ] - [ -0.0000646400000000, 0.0001746100000000, 0.0000645500000000 ] - [ -0.0000345000000000, 0.0001081200000000, 0.0001091400000000 ] - [ 0.0002499400000000, 0.0001366200000000, -0.0000605100000000 ] - [ 0.0001115900000000, -0.0002886300000000, 0.0000266700000000 ] - [ 0.0000344700000000, -0.0001466100000000, 0.0000075800000000 ] - [ 0.0000812900000000, 0.0000056300000000, -0.0000177100000000 ] - [ 0.0000044600000000, -0.0001357200000000, -0.0000369000000000 ] - [ -0.0001012300000000, 0.0002045100000000, -0.0000596100000000 ] - [ -0.0000661300000000, 0.0001893600000000, -0.0001440300000000 ] - [ 0.0000210600000000, 0.0002233200000000, -0.0000240800000000 ] - [ -0.0000136900000000, 0.0002076800000000, 0.0000597700000000 ] - [ -0.0003648600000000, 0.0000843600000000, 0.0003410500000000 ] - [ 0.0000639500000000, -0.0001677700000000, -0.0000300400000000 ] - [ -0.0004542400000000, -0.0004989900000000, 0.0002230600000000 ] - [ -0.0000232400000000, -0.0002445100000000, -0.0001495400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1061131300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000233000000000, 0.0000000000000000 ] - [ 0.0000835900000000, 0.0001418200000000, 0.0001921500000000 ] - [ -0.0000835900000000, 0.0001418200000000, -0.0001921500000000 ] - [ 0.0000000000000000, 0.0007901500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000842600000000, 0.0000000000000000 ] - [ 0.0000132300000000, 0.0002044500000000, 0.0000184200000000 ] - [ -0.0000132300000000, 0.0002044500000000, -0.0000184200000000 ] - [ -0.0000767100000000, 0.0000182800000000, 0.0002237100000000 ] - [ -0.0005099000000000, -0.0001112700000000, 0.0002458200000000 ] - [ 0.0005099000000000, -0.0001112700000000, -0.0002458200000000 ] - [ 0.0000767100000000, 0.0000182800000000, -0.0002237100000000 ] - [ -0.0000189900000000, -0.0001462600000000, -0.0001840700000000 ] - [ 0.0001050600000000, -0.0001585600000000, -0.0000651100000000 ] - [ 0.0000189900000000, -0.0001462600000000, 0.0001840700000000 ] - [ -0.0001050600000000, -0.0001585600000000, 0.0000651100000000 ] - [ 0.0042897000000000, -0.0018441100000000, 0.0040636600000000 ] - [ -0.0002374400000000, -0.0003627200000000, -0.0001162200000000 ] - [ 0.0002374400000000, -0.0003627200000000, 0.0001162200000000 ] - [ -0.0042897000000000, -0.0018441100000000, -0.0040636600000000 ] - [ -0.0007051900000000, 0.0002971700000000, 0.0008252100000000 ] - [ 0.0001669900000000, 0.0000453200000000, 0.0001242200000000 ] - [ 0.0007051900000000, 0.0002971700000000, -0.0008252100000000 ] - [ -0.0001669900000000, 0.0000453200000000, -0.0001242200000000 ] - [ 0.0001562700000000, 0.0007184000000000, -0.0000560600000000 ] - [ 0.0001509100000000, 0.0003908700000000, -0.0002988500000000 ] - [ -0.0001562700000000, 0.0007184000000000, 0.0000560600000000 ] - [ -0.0001509100000000, 0.0003908700000000, 0.0002988500000000 ] - [ -0.0011191200000000, 0.0036408800000000, -0.0050818800000000 ] - [ -0.0001057900000000, -0.0003584500000000, 0.0002057300000000 ] - [ 0.0001057900000000, -0.0003584500000000, -0.0002057300000000 ] - [ 0.0011191200000000, 0.0036408800000000, 0.0050818800000000 ] - [ -0.0000068400000000, 0.0001381400000000, 0.0002480700000000 ] - [ 0.0000685900000000, 0.0001578500000000, 0.0000154700000000 ] - [ -0.0000685900000000, 0.0001578500000000, -0.0000154700000000 ] - [ 0.0000068400000000, 0.0001381400000000, -0.0002480700000000 ] - [ 0.0049606400000000, 0.0034345300000000, 0.0004248200000000 ] - [ -0.0000212000000000, -0.0000737500000000, -0.0001409000000000 ] - [ -0.0049606400000000, 0.0034345300000000, -0.0004248200000000 ] - [ 0.0000212000000000, -0.0000737500000000, 0.0001409000000000 ] - [ 0.0000000000000000, 0.0002578500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001622000000000, 0.0000000000000000 ] - [ -0.0000266800000000, -0.0001219400000000, -0.0000771800000000 ] - [ 0.0000266800000000, -0.0001219400000000, 0.0000771800000000 ] - [ 0.0000000000000000, 0.0000958000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001212200000000, 0.0000000000000000 ] - [ 0.0001030400000000, -0.0001911600000000, -0.0000615900000000 ] - [ -0.0001030400000000, -0.0001911600000000, 0.0000615900000000 ] - [ -0.0001253900000000, 0.0000302000000000, -0.0000370700000000 ] - [ -0.0005327400000000, 0.0004311600000000, 0.0002673600000000 ] - [ 0.0005327400000000, 0.0004311600000000, -0.0002673600000000 ] - [ 0.0001253900000000, 0.0000302000000000, 0.0000370700000000 ] - [ 0.0000295600000000, 0.0006351500000000, -0.0001734800000000 ] - [ 0.0000617800000000, 0.0002189700000000, -0.0001631100000000 ] - [ -0.0000295600000000, 0.0006351500000000, 0.0001734800000000 ] - [ -0.0000617800000000, 0.0002189700000000, 0.0001631100000000 ] - [ 0.0000012200000000, 0.0000496600000000, -0.0002009800000000 ] - [ -0.0000771500000000, -0.0001304500000000, -0.0001530900000000 ] - [ 0.0000771500000000, -0.0001304500000000, 0.0001530900000000 ] - [ -0.0000012200000000, 0.0000496600000000, 0.0002009800000000 ] - [ -0.0000735200000000, 0.0004483600000000, -0.0000236300000000 ] - [ 0.0000775600000000, 0.0002427300000000, 0.0002277600000000 ] - [ 0.0000735200000000, 0.0004483600000000, 0.0000236300000000 ] - [ -0.0000775600000000, 0.0002427300000000, -0.0002277600000000 ] - [ 0.0000138500000000, 0.0000860900000000, -0.0003843100000000 ] - [ 0.0000988100000000, 0.0001564600000000, -0.0001462100000000 ] - [ -0.0000138500000000, 0.0000860900000000, 0.0003843100000000 ] - [ -0.0000988100000000, 0.0001564600000000, 0.0001462100000000 ] - [ -0.0000416400000000, -0.0000934500000000, 0.0002064600000000 ] - [ -0.0000858200000000, -0.0001103700000000, 0.0001962700000000 ] - [ 0.0000858200000000, -0.0001103700000000, -0.0001962700000000 ] - [ 0.0000416400000000, -0.0000934500000000, -0.0002064600000000 ] - [ 0.0000741700000000, -0.0000983800000000, 0.0000795900000000 ] - [ 0.0000783200000000, -0.0002245500000000, 0.0003044000000000 ] - [ -0.0000783200000000, -0.0002245500000000, -0.0003044000000000 ] - [ -0.0000741700000000, -0.0000983800000000, -0.0000795900000000 ] - [ -0.0000993700000000, 0.0001844500000000, -0.0002621500000000 ] - [ -0.0000806400000000, 0.0000787200000000, -0.0001717000000000 ] - [ 0.0000993700000000, 0.0001844500000000, 0.0002621500000000 ] - [ 0.0000806400000000, 0.0000787200000000, 0.0001717000000000 ] - [ -0.0000644600000000, -0.0001868200000000, 0.0000560200000000 ] - [ 0.0002149600000000, -0.0005636600000000, 0.0001905300000000 ] - [ -0.0002149600000000, -0.0005636600000000, -0.0001905300000000 ] - [ 0.0000644600000000, -0.0001868200000000, -0.0000560200000000 ] - [ 0.0006069800000000, -0.0026538700000000, -0.0006847200000000 ] - [ -0.0000019800000000, 0.0001293600000000, 0.0000052400000000 ] - [ -0.0006069800000000, -0.0026538700000000, 0.0006847200000000 ] - [ 0.0000019800000000, 0.0001293600000000, -0.0000052400000000 ] - [ -0.0260642300000000, 0.0495290800000000, -0.0279352200000000 ] - [ 0.0002014100000000, 0.0000478700000000, -0.0000964300000000 ] - [ 0.0260642300000000, 0.0495290800000000, 0.0279352200000000 ] - [ -0.0002014100000000, 0.0000478700000000, 0.0000964300000000 ] - [ 0.0002173000000000, -0.0004953200000000, -0.0004364500000000 ] - [ 0.0000350700000000, -0.0000769100000000, 0.0003766800000000 ] - [ -0.0000350700000000, -0.0000769100000000, -0.0003766800000000 ] - [ -0.0002173000000000, -0.0004953200000000, 0.0004364500000000 ] - [ -0.0000915800000000, 0.0004857400000000, 0.0001119700000000 ] - [ -0.0000531400000000, 0.0004446700000000, -0.0001541900000000 ] - [ 0.0000531400000000, 0.0004446700000000, 0.0001541900000000 ] - [ 0.0000915800000000, 0.0004857400000000, -0.0001119700000000 ] - [ 0.0000704400000000, -0.0003903900000000, -0.0001922000000000 ] - [ -0.0000579400000000, -0.0002216400000000, -0.0000859400000000 ] - [ -0.0000704400000000, -0.0003903900000000, 0.0001922000000000 ] - [ 0.0000579400000000, -0.0002216400000000, 0.0000859400000000 ] - [ 0.0000953400000000, -0.0004356200000000, -0.0001887900000000 ] - [ 0.0000652000000000, -0.0002905000000000, -0.0000716200000000 ] - [ -0.0000953400000000, -0.0004356200000000, 0.0001887900000000 ] - [ -0.0000652000000000, -0.0002905000000000, 0.0000716200000000 ] - [ -0.0000315600000000, 0.0001726200000000, 0.0004340400000000 ] - [ -0.0001242000000000, 0.0001960500000000, -0.0000051900000000 ] - [ 0.0001242000000000, 0.0001960500000000, 0.0000051900000000 ] - [ 0.0000315600000000, 0.0001726200000000, -0.0004340400000000 ] - [ 0.0001218300000000, 0.0001877600000000, -0.0001560500000000 ] - [ 0.0000507700000000, -0.0001121100000000, 0.0003675700000000 ] - [ -0.0000507700000000, -0.0001121100000000, -0.0003675700000000 ] - [ -0.0001218300000000, 0.0001877600000000, 0.0001560500000000 ] - [ -0.0005234400000000, 0.0004281700000000, 0.0006623500000000 ] - [ 0.0000679100000000, -0.0001017200000000, -0.0000011800000000 ] - [ 0.0005234400000000, 0.0004281700000000, -0.0006623500000000 ] - [ -0.0000679100000000, -0.0001017200000000, 0.0000011800000000 ] - [ 0.0005435500000000, 0.0008311200000000, -0.0001096800000000 ] - [ 0.0002954300000000, 0.0008497900000000, -0.0002325800000000 ] - [ -0.0002954300000000, 0.0008497900000000, 0.0002325800000000 ] - [ -0.0005435500000000, 0.0008311200000000, 0.0001096800000000 ] - [ 0.0004871000000000, -0.0010979700000000, 0.0000166000000000 ] - [ 0.0000484900000000, -0.0001711600000000, 0.0000671700000000 ] - [ -0.0004871000000000, -0.0010979700000000, -0.0000166000000000 ] - [ -0.0000484900000000, -0.0001711600000000, -0.0000671700000000 ] - [ 0.0002591000000000, -0.0005024100000000, 0.0000179800000000 ] - [ 0.0000731200000000, 0.0000122700000000, -0.0001710000000000 ] - [ -0.0000731200000000, 0.0000122700000000, 0.0001710000000000 ] - [ -0.0002591000000000, -0.0005024100000000, -0.0000179800000000 ] - [ 0.0000224000000000, -0.0005789800000000, -0.0000262700000000 ] - [ 0.0000463700000000, -0.0002835000000000, -0.0000054700000000 ] - [ -0.0000224000000000, -0.0005789800000000, 0.0000262700000000 ] - [ -0.0000463700000000, -0.0002835000000000, 0.0000054700000000 ] - [ -0.0000623000000000, 0.0001251000000000, -0.0000417200000000 ] - [ -0.0000724300000000, -0.0000074100000000, -0.0001106100000000 ] - [ 0.0000724300000000, -0.0000074100000000, 0.0001106100000000 ] - [ 0.0000623000000000, 0.0001251000000000, 0.0000417200000000 ] - [ 0.0003765400000000, -0.0004187900000000, -0.0001052900000000 ] - [ 0.0001308800000000, -0.0001783000000000, 0.0000944300000000 ] - [ -0.0003765400000000, -0.0004187900000000, 0.0001052900000000 ] - [ -0.0001308800000000, -0.0001783000000000, -0.0000944300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.1047688500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001949800000000, 0.0000000000000000 ] - [ -0.0000955200000000, -0.0003170200000000, -0.0002070000000000 ] - [ 0.0000955200000000, -0.0003170200000000, 0.0002070000000000 ] - [ 0.0000000000000000, -0.0008251200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000471900000000, 0.0000000000000000 ] - [ -0.0000118800000000, -0.0001679200000000, -0.0000207200000000 ] - [ 0.0000118800000000, -0.0001679200000000, 0.0000207200000000 ] - [ -0.0001210000000000, -0.0000971300000000, 0.0001706700000000 ] - [ 0.0003152200000000, 0.0000342100000000, 0.0001526400000000 ] - [ -0.0003152200000000, 0.0000342100000000, -0.0001526400000000 ] - [ 0.0001210000000000, -0.0000971300000000, -0.0001706700000000 ] - [ 0.0002189000000000, 0.0002234200000000, -0.0002099600000000 ] - [ 0.0000896700000000, 0.0002395600000000, -0.0003267100000000 ] - [ -0.0002189000000000, 0.0002234200000000, 0.0002099600000000 ] - [ -0.0000896700000000, 0.0002395600000000, 0.0003267100000000 ] - [ -0.0045504000000000, 0.0014040300000000, -0.0044653600000000 ] - [ -0.0000283800000000, -0.0000869000000000, -0.0002885400000000 ] - [ 0.0000283800000000, -0.0000869000000000, 0.0002885400000000 ] - [ 0.0045504000000000, 0.0014040300000000, 0.0044653600000000 ] - [ 0.0009870200000000, 0.0001602900000000, -0.0004160700000000 ] - [ 0.0000941500000000, 0.0003992000000000, 0.0002747100000000 ] - [ -0.0009870200000000, 0.0001602900000000, 0.0004160700000000 ] - [ -0.0000941500000000, 0.0003992000000000, -0.0002747100000000 ] - [ 0.0000601800000000, -0.0002494200000000, -0.0003321000000000 ] - [ 0.0000752900000000, 0.0000996600000000, -0.0000967900000000 ] - [ -0.0000601800000000, -0.0002494200000000, 0.0003321000000000 ] - [ -0.0000752900000000, 0.0000996600000000, 0.0000967900000000 ] - [ 0.0009028500000000, -0.0040851500000000, 0.0053876300000000 ] - [ -0.0001154300000000, -0.0001274600000000, 0.0001840100000000 ] - [ 0.0001154300000000, -0.0001274600000000, -0.0001840100000000 ] - [ -0.0009028500000000, -0.0040851500000000, -0.0053876300000000 ] - [ 0.0001511100000000, -0.0001338800000000, 0.0000375300000000 ] - [ 0.0000643200000000, -0.0001678700000000, 0.0002845800000000 ] - [ -0.0000643200000000, -0.0001678700000000, -0.0002845800000000 ] - [ -0.0001511100000000, -0.0001338800000000, -0.0000375300000000 ] - [ -0.0050178300000000, -0.0033953200000000, -0.0007199400000000 ] - [ -0.0001167100000000, 0.0000772200000000, -0.0001530000000000 ] - [ 0.0050178300000000, -0.0033953200000000, 0.0007199400000000 ] - [ 0.0001167100000000, 0.0000772200000000, 0.0001530000000000 ] - [ 0.0000000000000000, -0.0000851100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000101900000000, 0.0000000000000000 ] - [ 0.0000325900000000, -0.0000506700000000, 0.0000832400000000 ] - [ -0.0000325900000000, -0.0000506700000000, -0.0000832400000000 ] - [ 0.0000000000000000, -0.0001327200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001551100000000, 0.0000000000000000 ] - [ -0.0000994400000000, 0.0002263300000000, 0.0000592700000000 ] - [ 0.0000994400000000, 0.0002263300000000, -0.0000592700000000 ] - [ -0.0000706100000000, -0.0001105700000000, 0.0004280400000000 ] - [ 0.0003380800000000, -0.0005139400000000, 0.0001252000000000 ] - [ -0.0003380800000000, -0.0005139400000000, -0.0001252000000000 ] - [ 0.0000706100000000, -0.0001105700000000, -0.0004280400000000 ] - [ 0.0001692700000000, -0.0005579100000000, -0.0002221300000000 ] - [ 0.0001347300000000, -0.0001388400000000, -0.0002274400000000 ] - [ -0.0001692700000000, -0.0005579100000000, 0.0002221300000000 ] - [ -0.0001347300000000, -0.0001388400000000, 0.0002274400000000 ] - [ -0.0002650300000000, -0.0004968900000000, -0.0002034100000000 ] - [ -0.0001872000000000, -0.0003195400000000, -0.0002520400000000 ] - [ 0.0001872000000000, -0.0003195400000000, 0.0002520400000000 ] - [ 0.0002650300000000, -0.0004968900000000, 0.0002034100000000 ] - [ 0.0003349800000000, -0.0000017000000000, 0.0004248700000000 ] - [ 0.0001908600000000, 0.0002102500000000, 0.0001809900000000 ] - [ -0.0003349800000000, -0.0000017000000000, -0.0004248700000000 ] - [ -0.0001908600000000, 0.0002102500000000, -0.0001809900000000 ] - [ 0.0002128500000000, 0.0004044400000000, -0.0000053900000000 ] - [ 0.0001187200000000, 0.0003257000000000, -0.0002421700000000 ] - [ -0.0002128500000000, 0.0004044400000000, 0.0000053900000000 ] - [ -0.0001187200000000, 0.0003257000000000, 0.0002421700000000 ] - [ -0.0001800500000000, -0.0003929600000000, 0.0001831400000000 ] - [ -0.0001369700000000, -0.0003763300000000, 0.0001926200000000 ] - [ 0.0001369700000000, -0.0003763300000000, -0.0001926200000000 ] - [ 0.0001800500000000, -0.0003929600000000, -0.0001831400000000 ] - [ 0.0000598400000000, 0.0000944000000000, 0.0002141300000000 ] - [ 0.0000628000000000, 0.0002242000000000, -0.0000131900000000 ] - [ -0.0000628000000000, 0.0002242000000000, 0.0000131900000000 ] - [ -0.0000598400000000, 0.0000944000000000, -0.0002141300000000 ] - [ -0.0000390400000000, -0.0001828600000000, -0.0000301000000000 ] - [ -0.0000565600000000, -0.0000768900000000, -0.0001201900000000 ] - [ 0.0000390400000000, -0.0001828600000000, 0.0000301000000000 ] - [ 0.0000565600000000, -0.0000768900000000, 0.0001201900000000 ] - [ 0.0000220600000000, 0.0002912400000000, 0.0001619100000000 ] - [ -0.0002642000000000, 0.0006707300000000, 0.0000213500000000 ] - [ 0.0002642000000000, 0.0006707300000000, -0.0000213500000000 ] - [ -0.0000220600000000, 0.0002912400000000, -0.0001619100000000 ] - [ -0.0005621400000000, 0.0025495800000000, 0.0004715600000000 ] - [ 0.0000426900000000, -0.0002312200000000, -0.0002154100000000 ] - [ 0.0005621400000000, 0.0025495800000000, -0.0004715600000000 ] - [ -0.0000426900000000, -0.0002312200000000, 0.0002154100000000 ] - [ 0.0254198700000000, -0.0491287500000000, 0.0268212800000000 ] - [ 0.0000747200000000, -0.0003054800000000, -0.0000546300000000 ] - [ -0.0254198700000000, -0.0491287500000000, -0.0268212800000000 ] - [ -0.0000747200000000, -0.0003054800000000, 0.0000546300000000 ] - [ -0.0004980500000000, 0.0007565100000000, 0.0005953700000000 ] - [ -0.0003122600000000, 0.0003351000000000, -0.0002254200000000 ] - [ 0.0003122600000000, 0.0003351000000000, 0.0002254200000000 ] - [ 0.0004980500000000, 0.0007565100000000, -0.0005953700000000 ] - [ 0.0000476900000000, -0.0003828500000000, 0.0001008000000000 ] - [ 0.0000124500000000, -0.0003410700000000, 0.0003685600000000 ] - [ -0.0000124500000000, -0.0003410700000000, -0.0003685600000000 ] - [ -0.0000476900000000, -0.0003828500000000, -0.0001008000000000 ] - [ -0.0000277100000000, 0.0002861800000000, -0.0000226700000000 ] - [ 0.0000982300000000, 0.0001176900000000, -0.0001258400000000 ] - [ 0.0000277100000000, 0.0002861800000000, 0.0000226700000000 ] - [ -0.0000982300000000, 0.0001176900000000, 0.0001258400000000 ] - [ 0.0001796300000000, 0.0001786500000000, 0.0000386600000000 ] - [ 0.0002099700000000, 0.0000325200000000, -0.0000793100000000 ] - [ -0.0001796300000000, 0.0001786500000000, -0.0000386600000000 ] - [ -0.0002099700000000, 0.0000325200000000, 0.0000793100000000 ] - [ -0.0002431500000000, 0.0000832900000000, -0.0002837100000000 ] - [ -0.0001496600000000, 0.0000600000000000, 0.0001557900000000 ] - [ 0.0001496600000000, 0.0000600000000000, -0.0001557900000000 ] - [ 0.0002431500000000, 0.0000832900000000, 0.0002837100000000 ] - [ -0.0001569500000000, 0.0000967700000000, 0.0001138500000000 ] - [ -0.0000834700000000, 0.0003965600000000, -0.0004098800000000 ] - [ 0.0000834700000000, 0.0003965600000000, 0.0004098800000000 ] - [ 0.0001569500000000, 0.0000967700000000, -0.0001138500000000 ] - [ 0.0005521500000000, -0.0007092600000000, -0.0006150600000000 ] - [ -0.0000357000000000, -0.0001818300000000, 0.0000436700000000 ] - [ -0.0005521500000000, -0.0007092600000000, 0.0006150600000000 ] - [ 0.0000357000000000, -0.0001818300000000, -0.0000436700000000 ] - [ -0.0006292000000000, -0.0004186900000000, -0.0000100200000000 ] - [ -0.0003858500000000, -0.0004405700000000, 0.0001125300000000 ] - [ 0.0003858500000000, -0.0004405700000000, -0.0001125300000000 ] - [ 0.0006292000000000, -0.0004186900000000, 0.0000100200000000 ] - [ -0.0004148800000000, 0.0007065200000000, 0.0000968200000000 ] - [ 0.0000396500000000, -0.0002391800000000, 0.0000531300000000 ] - [ 0.0004148800000000, 0.0007065200000000, -0.0000968200000000 ] - [ -0.0000396500000000, -0.0002391800000000, -0.0000531300000000 ] - [ -0.0002899200000000, 0.0007843200000000, -0.0000606500000000 ] - [ -0.0001049000000000, 0.0002717100000000, 0.0001285200000000 ] - [ 0.0001049000000000, 0.0002717100000000, -0.0001285200000000 ] - [ 0.0002899200000000, 0.0007843200000000, 0.0000606500000000 ] - [ 0.0000089200000000, 0.0002973400000000, 0.0000695600000000 ] - [ -0.0000147600000000, -0.0000002000000000, 0.0000484100000000 ] - [ -0.0000089200000000, 0.0002973400000000, -0.0000695600000000 ] - [ 0.0000147600000000, -0.0000002000000000, -0.0000484100000000 ] - [ -0.0000274600000000, 0.0002853600000000, -0.0000784200000000 ] - [ -0.0000165700000000, 0.0004170000000000, -0.0000095900000000 ] - [ 0.0000165700000000, 0.0004170000000000, 0.0000095900000000 ] - [ 0.0000274600000000, 0.0002853600000000, 0.0000784200000000 ] - [ -0.0002867600000000, 0.0000064100000000, 0.0002241400000000 ] - [ -0.0000419100000000, -0.0002317000000000, 0.0000256800000000 ] - [ 0.0002867600000000, 0.0000064100000000, -0.0002241400000000 ] - [ 0.0000419100000000, -0.0002317000000000, -0.0000256800000000 ]- atom: 1 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ -0.0332436700000000, -0.0002190800000000, -0.0527060000000000 ] - [ -0.0000044000000000, 0.0000882100000000, 0.0001169500000000 ] - [ 0.0000481700000000, 0.0000845700000000, 0.0000041200000000 ] - [ 0.0000500100000000, -0.0002615000000000, 0.0000074600000000 ] - [ 0.0001918700000000, -0.0000191600000000, -0.0011611600000000 ] - [ -0.0001256000000000, -0.0000183400000000, 0.0002019300000000 ] - [ -0.0000682500000000, -0.0000225800000000, -0.0000450600000000 ] - [ -0.0000693200000000, 0.0000596700000000, -0.0000450300000000 ] - [ -0.0000455600000000, -0.0000237600000000, 0.0002650800000000 ] - [ 0.0005808100000000, -0.0000686400000000, 0.0000592500000000 ] - [ 0.0007664100000000, -0.0000080300000000, -0.0003360200000000 ] - [ 0.0001551000000000, -0.0000540000000000, -0.0001281500000000 ] - [ 0.0000235800000000, -0.0000195800000000, -0.0002970200000000 ] - [ 0.0003293600000000, -0.0000431800000000, -0.0000581000000000 ] - [ -0.0001774200000000, 0.0000960400000000, 0.0000983800000000 ] - [ 0.0001307600000000, 0.0001223100000000, 0.0003353700000000 ] - [ 0.0039312900000000, -0.0001758900000000, 0.0026979700000000 ] - [ -0.0001952200000000, -0.0002590700000000, -0.0000343600000000 ] - [ 0.0000691500000000, -0.0001910500000000, 0.0003710100000000 ] - [ 0.0042450500000000, -0.0002741200000000, 0.0031553900000000 ] - [ -0.0003995100000000, 0.0005392600000000, -0.0000270600000000 ] - [ 0.0000658600000000, 0.0000301400000000, 0.0003928300000000 ] - [ -0.0006614900000000, -0.0000868700000000, -0.0004397100000000 ] - [ -0.0001961500000000, 0.0004182300000000, -0.0000099400000000 ] - [ -0.0000497200000000, 0.0001390200000000, -0.0002784700000000 ] - [ 0.0000365700000000, 0.0001345300000000, -0.0001105300000000 ] - [ -0.0002711900000000, 0.0003492100000000, 0.0001081200000000 ] - [ -0.0001846900000000, 0.0003519800000000, 0.0002791200000000 ] - [ 0.0001094700000000, -0.0073024500000000, 0.0037586300000000 ] - [ -0.0002274100000000, -0.0003004000000000, 0.0003157600000000 ] - [ -0.0000055000000000, -0.0001856200000000, -0.0000717400000000 ] - [ 0.0003276800000000, 0.0068978800000000, 0.0033992300000000 ] - [ -0.0000959800000000, 0.0000562700000000, 0.0001638700000000 ] - [ -0.0000419900000000, -0.0000442500000000, 0.0001634000000000 ] - [ -0.0001801800000000, 0.0000427700000000, -0.0001315500000000 ] - [ -0.0002384300000000, -0.0000560000000000, -0.0001285500000000 ] - [ -0.0014738900000000, -0.0009922600000000, -0.0020878300000000 ] - [ -0.0002030600000000, -0.0000429400000000, 0.0001252100000000 ] - [ -0.0013201500000000, 0.0009741900000000, -0.0017959500000000 ] - [ -0.0000633100000000, 0.0000448300000000, 0.0004202600000000 ] - [ 0.0000020200000000, 0.0000879800000000, -0.0001245700000000 ] - [ 0.0000811500000000, 0.0000877400000000, 0.0001189400000000 ] - [ 0.0000747200000000, -0.0001605400000000, 0.0000294400000000 ] - [ 0.0000758300000000, -0.0000157700000000, 0.0000299000000000 ] - [ 0.0001733400000000, -0.0000188400000000, -0.0002489700000000 ] - [ 0.0000877400000000, -0.0000185200000000, 0.0003493800000000 ] - [ 0.0001673500000000, -0.0000816200000000, 0.0000062300000000 ] - [ 0.0001669500000000, 0.0001177000000000, 0.0000059400000000 ] - [ -0.0001295300000000, -0.0002114400000000, 0.0004834100000000 ] - [ -0.0007904400000000, 0.0005538400000000, -0.0001003000000000 ] - [ -0.0005877500000000, -0.0006320100000000, -0.0004925300000000 ] - [ 0.0000699700000000, 0.0001344500000000, 0.0000901500000000 ] - [ -0.0000330700000000, 0.0001125100000000, -0.0002673400000000 ] - [ 0.0000493200000000, 0.0000497100000000, -0.0001601300000000 ] - [ -0.0002315300000000, -0.0000358700000000, 0.0001264200000000 ] - [ -0.0001498000000000, 0.0000286100000000, 0.0002325400000000 ] - [ -0.0001352600000000, -0.0002709800000000, -0.0003065900000000 ] - [ -0.0000771100000000, -0.0001903900000000, -0.0001092800000000 ] - [ 0.0001882800000000, -0.0002599000000000, 0.0002957300000000 ] - [ 0.0001303500000000, -0.0001811200000000, 0.0000985400000000 ] - [ 0.0002372700000000, 0.0002691000000000, 0.0000064100000000 ] - [ 0.0001404400000000, 0.0002367800000000, 0.0002940600000000 ] - [ -0.0000286800000000, 0.0001800500000000, -0.0004009300000000 ] - [ -0.0001246800000000, 0.0002126500000000, -0.0001099400000000 ] - [ 0.0000786600000000, 0.0001896000000000, -0.0002082500000000 ] - [ 0.0001867700000000, 0.0002982900000000, -0.0001547900000000 ] - [ -0.0001434500000000, 0.0002963500000000, 0.0001773600000000 ] - [ -0.0000352500000000, 0.0001878900000000, 0.0002347300000000 ] - [ -0.0000057000000000, -0.0001842300000000, 0.0000401700000000 ] - [ -0.0000847400000000, -0.0002617200000000, 0.0002798100000000 ] - [ 0.0001363300000000, -0.0002243300000000, -0.0001084800000000 ] - [ 0.0002163800000000, -0.0003020100000000, -0.0003486400000000 ] - [ 0.0001219800000000, -0.0000299600000000, 0.0001137000000000 ] - [ 0.0001438700000000, 0.0000682600000000, 0.0001117600000000 ] - [ 0.0000044200000000, -0.0000713200000000, -0.0001835300000000 ] - [ -0.0000165200000000, 0.0000293300000000, -0.0001806500000000 ] - [ 0.0000194300000000, 0.0000982800000000, -0.0003247600000000 ] - [ -0.0000357100000000, -0.0000324800000000, -0.0000628500000000 ] - [ 0.0001596100000000, -0.0000977500000000, -0.0000307400000000 ] - [ 0.0001035400000000, 0.0000347300000000, 0.0002326400000000 ] - [ 0.0000872900000000, -0.0000160200000000, 0.0001247900000000 ] - [ 0.0004298600000000, -0.0000146400000000, 0.0000706300000000 ] - [ 0.0004699900000000, 0.0001179700000000, -0.0001430600000000 ] - [ 0.0001304900000000, 0.0001188400000000, -0.0000862900000000 ] - [ 0.0020783300000000, -0.0023177400000000, 0.0025190400000000 ] - [ 0.0001883400000000, -0.0000173500000000, -0.0004280200000000 ] - [ 0.0020215500000000, 0.0022220200000000, 0.0027116400000000 ] - [ 0.0001466500000000, -0.0000847500000000, -0.0002161200000000 ] - [ 0.0125863200000000, -0.0165039400000000, 0.0202258100000000 ] - [ 0.0003350000000000, -0.0000905800000000, -0.0003436700000000 ] - [ 0.0127190600000000, 0.0164837700000000, 0.0204277400000000 ] - [ 0.0000584000000000, -0.0001629800000000, -0.0001955400000000 ] - [ 0.0001563400000000, -0.0001783700000000, 0.0002828800000000 ] - [ -0.0001811900000000, 0.0002838900000000, -0.0000631500000000 ] - [ 0.0000952600000000, -0.0000282800000000, -0.0002105000000000 ] - [ 0.0004370200000000, 0.0004280100000000, 0.0001427300000000 ] - [ -0.0002269700000000, 0.0002398900000000, -0.0000183000000000 ] - [ -0.0001455400000000, -0.0000858500000000, 0.0001459800000000 ] - [ -0.0001025700000000, 0.0001885900000000, -0.0000685300000000 ] - [ -0.0001863400000000, -0.0001372800000000, -0.0002284800000000 ] - [ -0.0003060100000000, 0.0001901100000000, 0.0003970100000000 ] - [ -0.0000375400000000, -0.0000525500000000, -0.0002548400000000 ] - [ -0.0003462600000000, -0.0002899600000000, 0.0006037000000000 ] - [ -0.0000805100000000, -0.0000504400000000, -0.0000436900000000 ] - [ 0.0000414000000000, -0.0000555700000000, 0.0002260200000000 ] - [ 0.0000774700000000, -0.0001315800000000, -0.0002145000000000 ] - [ -0.0002385200000000, -0.0001973200000000, 0.0003714500000000 ] - [ -0.0001997800000000, -0.0001229600000000, -0.0000650600000000 ] - [ -0.0002190000000000, 0.0002456600000000, 0.0002126100000000 ] - [ -0.0002350600000000, 0.0000678400000000, 0.0000241500000000 ] - [ 0.0000440400000000, 0.0001842900000000, -0.0001234200000000 ] - [ 0.0000596600000000, 0.0000071100000000, 0.0000684500000000 ] - [ -0.0000432800000000, 0.0001185100000000, -0.0000035400000000 ] - [ -0.0001499200000000, 0.0003651300000000, -0.0004205600000000 ] - [ -0.0001197400000000, -0.0000806300000000, -0.0003723300000000 ] - [ -0.0000170600000000, 0.0001627100000000, 0.0000426100000000 ] - [ -0.0006051700000000, 0.0001362600000000, 0.0006626200000000 ] - [ -0.0000170100000000, -0.0001430400000000, -0.0001463400000000 ] - [ -0.0006346900000000, -0.0004223600000000, 0.0006232200000000 ] - [ -0.0000461700000000, -0.0001398500000000, -0.0001904600000000 ] - [ -0.0001210000000000, 0.0000306200000000, -0.0008980900000000 ] - [ 0.0006950400000000, 0.0003208300000000, -0.0002198400000000 ] - [ 0.0007808900000000, 0.0000924300000000, -0.0001027100000000 ] - [ -0.0000317900000000, 0.0003814000000000, -0.0007808700000000 ] - [ -0.0004064600000000, 0.0004320200000000, -0.0001407200000000 ] - [ 0.0000673200000000, -0.0002111400000000, -0.0000845000000000 ] - [ -0.0004734100000000, -0.0008350100000000, -0.0002565900000000 ] - [ -0.0000209100000000, -0.0002013500000000, -0.0002038000000000 ] - [ -0.0002355300000000, 0.0007581700000000, 0.0003865400000000 ] - [ 0.0000611700000000, 0.0000796000000000, -0.0001526900000000 ] - [ 0.0000906900000000, 0.0002030600000000, -0.0001087500000000 ] - [ -0.0002076600000000, -0.0004787300000000, 0.0004323000000000 ] - [ -0.0000325900000000, 0.0000618700000000, 0.0002227700000000 ] - [ 0.0000429700000000, -0.0002208400000000, -0.0000693800000000 ] - [ -0.0000620400000000, -0.0003439300000000, 0.0001785600000000 ] - [ 0.0000131000000000, -0.0000620100000000, -0.0001128700000000 ] - [ -0.0000471100000000, 0.0002085700000000, -0.0000988300000000 ] - [ -0.0001256000000000, 0.0002590500000000, -0.0000788100000000 ] - [ -0.0000375900000000, 0.0001542800000000, 0.0000408200000000 ] - [ 0.0000402600000000, 0.0002040000000000, 0.0000207400000000 ] - [ 0.0002452600000000, -0.0002270800000000, 0.0001913500000000 ] - [ -0.0000268800000000, -0.0001833900000000, -0.0000716200000000 ] - [ 0.0001571600000000, -0.0001835800000000, 0.0000706600000000 ] - [ -0.0001149800000000, -0.0002287800000000, -0.0001914200000000 ]- atom: 5 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ -0.0011119600000000, 0.0000866700000000, -0.0000689200000000 ] - [ -0.0000590700000000, 0.0000876900000000, -0.0001522000000000 ] - [ -0.0000951900000000, -0.0000780100000000, -0.0000953500000000 ] - [ -0.0000958800000000, -0.0000975000000000, -0.0000958500000000 ] - [ -0.0728320800000000, 0.0008796700000000, 0.0451860000000000 ] - [ -0.0001726000000000, -0.0000191900000000, -0.0005546900000000 ] - [ -0.0001420500000000, 0.0000076600000000, -0.0000000300000000 ] - [ -0.0001414100000000, 0.0000288700000000, 0.0000009700000000 ] - [ -0.0000485800000000, -0.0000493600000000, 0.0001797900000000 ] - [ -0.0000138600000000, -0.0004642200000000, 0.0002573100000000 ] - [ 0.0001865600000000, 0.0003854100000000, -0.0001347800000000 ] - [ 0.0001503500000000, -0.0000296800000000, -0.0002111800000000 ] - [ 0.0004370100000000, 0.0000051500000000, -0.0003364200000000 ] - [ 0.0000133400000000, 0.0000510000000000, -0.0001626800000000 ] - [ 0.0002382100000000, 0.0000734400000000, 0.0000537700000000 ] - [ -0.0001887400000000, 0.0000272500000000, 0.0002295500000000 ] - [ -0.0004094000000000, 0.0000557800000000, 0.0003234400000000 ] - [ -0.0000668500000000, -0.0001679500000000, -0.0003964900000000 ] - [ 0.0001972800000000, -0.0002813000000000, 0.0000057600000000 ] - [ -0.0001461500000000, -0.0005095200000000, 0.0007334000000000 ] - [ 0.0000726200000000, 0.0000152300000000, 0.0001256200000000 ] - [ 0.0000520300000000, 0.0003000600000000, 0.0001316400000000 ] - [ -0.0001899500000000, 0.0004321700000000, -0.0002754100000000 ] - [ -0.0002134600000000, 0.0001526600000000, -0.0002732700000000 ] - [ 0.0000063600000000, 0.0003908300000000, -0.0002773800000000 ] - [ 0.0000648000000000, 0.0001924700000000, -0.0002190400000000 ] - [ -0.0002140800000000, 0.0000965500000000, 0.0001129000000000 ] - [ -0.0001561200000000, 0.0002938400000000, 0.0001687800000000 ] - [ -0.0019270900000000, -0.0005596200000000, 0.0008538700000000 ] - [ -0.0001029100000000, -0.0003130900000000, 0.0000667300000000 ] - [ 0.0001178600000000, -0.0001723600000000, -0.0003216100000000 ] - [ -0.0016978800000000, 0.0000872500000000, 0.0004653300000000 ] - [ -0.0000373300000000, -0.0000010400000000, 0.0001821600000000 ] - [ -0.0000130400000000, 0.0000102400000000, 0.0000997900000000 ] - [ -0.0001538600000000, -0.0000124300000000, -0.0001953500000000 ] - [ -0.0001751700000000, -0.0000029500000000, -0.0001138500000000 ] - [ 0.0030121200000000, -0.0064974000000000, -0.0002129900000000 ] - [ -0.0001330200000000, -0.0000126900000000, -0.0002508100000000 ] - [ 0.0030943800000000, 0.0064018700000000, 0.0000698100000000 ] - [ 0.0000053200000000, 0.0000153300000000, 0.0000453300000000 ] - [ 0.0002549700000000, 0.0000890200000000, 0.0002571700000000 ] - [ 0.0000938600000000, 0.0000868800000000, 0.0001046100000000 ] - [ 0.0002925700000000, 0.0000129900000000, 0.0002516000000000 ] - [ 0.0002943900000000, -0.0001889500000000, 0.0002556600000000 ] - [ 0.0003044400000000, -0.0000180700000000, -0.0000718800000000 ] - [ 0.0000223700000000, -0.0000188400000000, 0.0000505600000000 ] - [ 0.0001683300000000, -0.0000043500000000, 0.0001417900000000 ] - [ 0.0001671100000000, 0.0000422900000000, 0.0001435800000000 ] - [ -0.0003178100000000, 0.0000722000000000, 0.0001567700000000 ] - [ 0.0055083200000000, 0.0002164200000000, -0.0050366400000000 ] - [ 0.0057990700000000, -0.0002935600000000, -0.0055331100000000 ] - [ -0.0001155700000000, -0.0001453400000000, -0.0002388400000000 ] - [ -0.0002315600000000, -0.0000023800000000, -0.0003504000000000 ] - [ 0.0000842300000000, 0.0004916500000000, -0.0002714700000000 ] - [ -0.0004328800000000, 0.0000743400000000, 0.0000415600000000 ] - [ -0.0001146500000000, -0.0004137500000000, 0.0001201500000000 ] - [ 0.0002891000000000, -0.0000625100000000, -0.0002206300000000 ] - [ -0.0000700600000000, -0.0001706500000000, -0.0001187500000000 ] - [ 0.0001981400000000, -0.0002833800000000, 0.0002884700000000 ] - [ 0.0005467400000000, -0.0003875300000000, 0.0001851800000000 ] - [ 0.0004877500000000, 0.0004116200000000, 0.0009906600000000 ] - [ 0.0006346900000000, 0.0002511200000000, 0.0001256900000000 ] - [ 0.0002345500000000, 0.0000381700000000, 0.0005967600000000 ] - [ 0.0003703700000000, 0.0001976300000000, -0.0002785800000000 ] - [ 0.0004741800000000, 0.0003268500000000, -0.0001129500000000 ] - [ 0.0002605700000000, 0.0002834500000000, -0.0001463200000000 ] - [ 0.0002537300000000, 0.0001578900000000, 0.0002777100000000 ] - [ 0.0000397500000000, 0.0002032900000000, 0.0002420100000000 ] - [ 0.0000875900000000, -0.0001517600000000, 0.0002937800000000 ] - [ -0.0000487800000000, -0.0002195600000000, 0.0002039100000000 ] - [ 0.0001728600000000, -0.0002675000000000, -0.0001848900000000 ] - [ 0.0003084400000000, -0.0003339200000000, -0.0000952200000000 ] - [ 0.0003176200000000, 0.0000354200000000, 0.0001859200000000 ] - [ 0.0001781100000000, -0.0000477400000000, 0.0002154100000000 ] - [ 0.0000418300000000, 0.0000462300000000, -0.0000785300000000 ] - [ 0.0001763900000000, -0.0000373400000000, -0.0001074400000000 ] - [ 0.0001492000000000, -0.0000757200000000, -0.0000140500000000 ] - [ -0.0000008500000000, -0.0000468600000000, -0.0001297700000000 ] - [ 0.0002893100000000, 0.0000790700000000, 0.0002820000000000 ] - [ 0.0001380700000000, 0.0000479700000000, 0.0001637800000000 ] - [ 0.0001776400000000, -0.0000357700000000, 0.0000039900000000 ] - [ 0.0002523400000000, -0.0000272000000000, 0.0001828300000000 ] - [ 0.0002997300000000, 0.0001327800000000, -0.0000311400000000 ] - [ 0.0002180000000000, 0.0001389300000000, -0.0002074800000000 ] - [ 0.0263842300000000, 0.0223871700000000, -0.0168501800000000 ] - [ 0.0001973300000000, -0.0001786800000000, 0.0001117900000000 ] - [ 0.0268384700000000, -0.0233027600000000, -0.0173932600000000 ] - [ 0.0001513100000000, 0.0000724100000000, 0.0003244300000000 ] - [ 0.0033032100000000, -0.0019345900000000, -0.0026132600000000 ] - [ 0.0001218700000000, -0.0001795200000000, 0.0001123100000000 ] - [ 0.0030476300000000, 0.0016808100000000, -0.0024847900000000 ] - [ -0.0001532800000000, -0.0000774000000000, 0.0002635300000000 ] - [ 0.0000234300000000, 0.0001555600000000, 0.0002540100000000 ] - [ -0.0000282800000000, 0.0000786400000000, 0.0000765800000000 ] - [ 0.0002508500000000, 0.0001748700000000, -0.0000700800000000 ] - [ 0.0002993900000000, 0.0000991200000000, 0.0001043600000000 ] - [ -0.0001312000000000, -0.0000511800000000, -0.0000870700000000 ] - [ -0.0005587500000000, 0.0001532100000000, 0.0000516500000000 ] - [ -0.0005160500000000, -0.0000490700000000, -0.0001592800000000 ] - [ -0.0000869800000000, 0.0001526400000000, -0.0002998600000000 ] - [ -0.0004392800000000, -0.0000791200000000, -0.0001077700000000 ] - [ -0.0000744500000000, -0.0000420700000000, -0.0001397000000000 ] - [ -0.0004818000000000, -0.0000252300000000, 0.0001063500000000 ] - [ -0.0001173900000000, -0.0000602800000000, 0.0000715600000000 ] - [ -0.0003644100000000, -0.0002907600000000, -0.0004077200000000 ] - [ 0.0000430700000000, -0.0001584400000000, -0.0001159200000000 ] - [ -0.0006411300000000, 0.0000351800000000, -0.0002600700000000 ] - [ -0.0002370200000000, -0.0000920600000000, 0.0000313800000000 ] - [ -0.0005557300000000, -0.0002635200000000, -0.0002927600000000 ] - [ -0.0004963100000000, 0.0002307700000000, -0.0000724900000000 ] - [ -0.0002197500000000, 0.0000227700000000, -0.0002190400000000 ] - [ -0.0002742700000000, 0.0005216300000000, -0.0004453300000000 ] - [ -0.0001525200000000, 0.0001882700000000, 0.0000160000000000 ] - [ -0.0000006100000000, 0.0001413500000000, -0.0001401100000000 ] - [ 0.0000291900000000, 0.0001413500000000, -0.0000945800000000 ] - [ -0.0001225100000000, 0.0000949600000000, 0.0000588200000000 ] - [ -0.0002970400000000, -0.0005699500000000, -0.0003185100000000 ] - [ -0.0000350200000000, -0.0001306600000000, 0.0000411000000000 ] - [ -0.0003334000000000, 0.0002929700000000, -0.0003662500000000 ] - [ -0.0000652600000000, -0.0001522000000000, -0.0000021800000000 ] - [ 0.0000816900000000, 0.0002869300000000, -0.0001825400000000 ] - [ -0.0002776900000000, -0.0002126300000000, 0.0006097400000000 ] - [ -0.0001890500000000, 0.0006239900000000, 0.0007337400000000 ] - [ 0.0001713900000000, 0.0001238600000000, -0.0000660200000000 ] - [ 0.0001958700000000, -0.0000947500000000, 0.0000570900000000 ] - [ 0.0000208100000000, -0.0002366100000000, 0.0001341900000000 ] - [ 0.0001076500000000, -0.0003154400000000, -0.0000626100000000 ] - [ -0.0000670100000000, -0.0001752900000000, 0.0000137800000000 ] - [ 0.0016812800000000, 0.0000577700000000, 0.0011120400000000 ] - [ -0.0003797900000000, 0.0005969500000000, 0.0006295500000000 ] - [ -0.0003500200000000, -0.0003166700000000, 0.0006835100000000 ] - [ 0.0017076300000000, 0.0002241300000000, 0.0011701300000000 ] - [ -0.0000783800000000, -0.0008680600000000, -0.0000509300000000 ] - [ 0.0000833800000000, -0.0001515400000000, 0.0001080900000000 ] - [ -0.0001045000000000, 0.0005888400000000, -0.0000962700000000 ] - [ 0.0000544100000000, -0.0001301300000000, 0.0000633400000000 ] - [ -0.0001876700000000, 0.0001227900000000, -0.0000193800000000 ] - [ 0.0000118400000000, 0.0000901000000000, -0.0001391800000000 ] - [ 0.0000976000000000, 0.0003222200000000, -0.0000173200000000 ] - [ -0.0000995200000000, 0.0002885900000000, 0.0000984600000000 ] - [ -0.0010336600000000, -0.0001167000000000, -0.0004166600000000 ] - [ 0.0000469500000000, -0.0002382000000000, 0.0000669000000000 ] - [ -0.0011254400000000, -0.0002941900000000, -0.0005387400000000 ] - [ -0.0000400000000000, -0.0001744300000000, -0.0000516800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0008943200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000229300000000, 0.0000000000000000 ] - [ 0.0000485800000000, 0.0000967800000000, -0.0000289200000000 ] - [ -0.0000485800000000, 0.0000967800000000, 0.0000289200000000 ] - [ 0.0000000000000000, -0.0964272100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003163900000000, 0.0000000000000000 ] - [ -0.0000142500000000, 0.0002191200000000, -0.0000980900000000 ] - [ 0.0000142500000000, 0.0002191200000000, 0.0000980900000000 ] - [ -0.0001305400000000, 0.0000909200000000, 0.0002273700000000 ] - [ -0.0002436800000000, 0.0004376700000000, 0.0002162400000000 ] - [ 0.0002436800000000, 0.0004376700000000, -0.0002162400000000 ] - [ 0.0001305400000000, 0.0000909200000000, -0.0002273700000000 ] - [ 0.0003118000000000, -0.0001466200000000, -0.0003248900000000 ] - [ 0.0006373400000000, -0.0001120000000000, -0.0002003800000000 ] - [ -0.0003118000000000, -0.0001466200000000, 0.0003248900000000 ] - [ -0.0006373400000000, -0.0001120000000000, 0.0002003800000000 ] - [ 0.0002547200000000, 0.0002022600000000, 0.0000104900000000 ] - [ -0.0001299700000000, -0.0002148300000000, -0.0003529900000000 ] - [ 0.0001299700000000, -0.0002148300000000, 0.0003529900000000 ] - [ -0.0002547200000000, 0.0002022600000000, -0.0000104900000000 ] - [ 0.0001824400000000, 0.0003724800000000, 0.0003907500000000 ] - [ 0.0002008200000000, 0.0007882100000000, 0.0001080100000000 ] - [ -0.0001824400000000, 0.0003724800000000, -0.0003907500000000 ] - [ -0.0002008200000000, 0.0007882100000000, -0.0001080100000000 ] - [ 0.0001964900000000, 0.0005262100000000, -0.0001855400000000 ] - [ 0.0001534300000000, 0.0004456500000000, -0.0001783100000000 ] - [ -0.0001964900000000, 0.0005262100000000, 0.0001855400000000 ] - [ -0.0001534300000000, 0.0004456500000000, 0.0001783100000000 ] - [ -0.0011193600000000, 0.0041160800000000, 0.0052967900000000 ] - [ -0.0002221700000000, -0.0003302500000000, 0.0001929600000000 ] - [ 0.0002221700000000, -0.0003302500000000, -0.0001929600000000 ] - [ 0.0011193600000000, 0.0041160800000000, -0.0052967900000000 ] - [ 0.0001367200000000, 0.0003026700000000, -0.0000260700000000 ] - [ 0.0000464800000000, 0.0002130900000000, 0.0000639600000000 ] - [ -0.0000464800000000, 0.0002130900000000, -0.0000639600000000 ] - [ -0.0001367200000000, 0.0003026700000000, 0.0000260700000000 ] - [ -0.0043519800000000, 0.0032410900000000, 0.0009155300000000 ] - [ -0.0000618700000000, -0.0001800600000000, -0.0001985300000000 ] - [ 0.0043519800000000, 0.0032410900000000, -0.0009155300000000 ] - [ 0.0000618700000000, -0.0001800600000000, 0.0001985300000000 ] - [ 0.0000000000000000, 0.0002029000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002257900000000, 0.0000000000000000 ] - [ -0.0001051100000000, -0.0002961900000000, -0.0001322300000000 ] - [ 0.0001051100000000, -0.0002961900000000, 0.0001322300000000 ] - [ 0.0000000000000000, 0.0001449600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001395700000000, 0.0000000000000000 ] - [ -0.0000227100000000, -0.0002778000000000, 0.0000986700000000 ] - [ 0.0000227100000000, -0.0002778000000000, -0.0000986700000000 ] - [ 0.0000334000000000, -0.0005442100000000, -0.0000286300000000 ] - [ -0.0044576900000000, -0.0021310900000000, 0.0038765400000000 ] - [ 0.0044576900000000, -0.0021310900000000, -0.0038765400000000 ] - [ -0.0000334000000000, -0.0005442100000000, 0.0000286300000000 ] - [ -0.0000172600000000, 0.0008846000000000, 0.0002336500000000 ] - [ 0.0000785400000000, 0.0003349000000000, -0.0002071600000000 ] - [ 0.0000172600000000, 0.0008846000000000, -0.0002336500000000 ] - [ -0.0000785400000000, 0.0003349000000000, 0.0002071600000000 ] - [ 0.0001221500000000, -0.0002256100000000, -0.0002422100000000 ] - [ 0.0000931100000000, 0.0000230400000000, 0.0000456100000000 ] - [ -0.0000931100000000, 0.0000230400000000, -0.0000456100000000 ] - [ -0.0001221500000000, -0.0002256100000000, 0.0002422100000000 ] - [ -0.0002479800000000, -0.0001451300000000, 0.0000113500000000 ] - [ -0.0000950400000000, 0.0001644000000000, 0.0002415600000000 ] - [ 0.0002479800000000, -0.0001451300000000, -0.0000113500000000 ] - [ 0.0000950400000000, 0.0001644000000000, -0.0002415600000000 ] - [ 0.0000711700000000, 0.0000488200000000, -0.0001790600000000 ] - [ 0.0000271100000000, 0.0000819300000000, -0.0001577000000000 ] - [ -0.0000711700000000, 0.0000488200000000, 0.0001790600000000 ] - [ -0.0000271100000000, 0.0000819300000000, 0.0001577000000000 ] - [ -0.0000802900000000, -0.0000865700000000, 0.0001780600000000 ] - [ -0.0000411400000000, -0.0001134700000000, 0.0002231400000000 ] - [ 0.0000411400000000, -0.0001134700000000, -0.0002231400000000 ] - [ 0.0000802900000000, -0.0000865700000000, -0.0001780600000000 ] - [ 0.0001053800000000, -0.0001121400000000, 0.0002371000000000 ] - [ 0.0001427800000000, -0.0002305600000000, 0.0003725700000000 ] - [ -0.0001427800000000, -0.0002305600000000, -0.0003725700000000 ] - [ -0.0001053800000000, -0.0001121400000000, -0.0002371000000000 ] - [ -0.0000189300000000, 0.0001980900000000, -0.0002841300000000 ] - [ -0.0000850000000000, 0.0002096800000000, -0.0002433100000000 ] - [ 0.0000189300000000, 0.0001980900000000, 0.0002841300000000 ] - [ 0.0000850000000000, 0.0002096800000000, 0.0002433100000000 ] - [ -0.0000886300000000, -0.0002780800000000, 0.0001413200000000 ] - [ 0.0003936800000000, -0.0005498500000000, -0.0001547300000000 ] - [ -0.0003936800000000, -0.0005498500000000, 0.0001547300000000 ] - [ 0.0000886300000000, -0.0002780800000000, -0.0001413200000000 ] - [ 0.0248726400000000, 0.0448063700000000, -0.0224369700000000 ] - [ -0.0000427800000000, 0.0005665900000000, -0.0001280500000000 ] - [ -0.0248726400000000, 0.0448063700000000, 0.0224369700000000 ] - [ 0.0000427800000000, 0.0005665900000000, 0.0001280500000000 ] - [ -0.0007404900000000, -0.0026608200000000, -0.0005613100000000 ] - [ 0.0001658100000000, -0.0001157900000000, -0.0000750300000000 ] - [ 0.0007404900000000, -0.0026608200000000, 0.0005613100000000 ] - [ -0.0001658100000000, -0.0001157900000000, 0.0000750300000000 ] - [ -0.0001792400000000, -0.0002565300000000, 0.0000868200000000 ] - [ -0.0001204200000000, -0.0002636800000000, -0.0000349300000000 ] - [ 0.0001204200000000, -0.0002636800000000, 0.0000349300000000 ] - [ 0.0001792400000000, -0.0002565300000000, -0.0000868200000000 ] - [ -0.0000775000000000, 0.0005585600000000, 0.0004066300000000 ] - [ -0.0000833200000000, 0.0005682400000000, 0.0002862900000000 ] - [ 0.0000833200000000, 0.0005682400000000, -0.0002862900000000 ] - [ 0.0000775000000000, 0.0005585600000000, -0.0004066300000000 ] - [ 0.0001548800000000, -0.0004496800000000, -0.0003222600000000 ] - [ -0.0000219800000000, -0.0002877900000000, -0.0000998100000000 ] - [ -0.0001548800000000, -0.0004496800000000, 0.0003222600000000 ] - [ 0.0000219800000000, -0.0002877900000000, 0.0000998100000000 ] - [ 0.0001178200000000, -0.0003673600000000, -0.0000839300000000 ] - [ -0.0000549600000000, -0.0004531500000000, -0.0001667400000000 ] - [ -0.0001178200000000, -0.0003673600000000, 0.0000839300000000 ] - [ 0.0000549600000000, -0.0004531500000000, 0.0001667400000000 ] - [ 0.0000538700000000, 0.0008255400000000, 0.0003319700000000 ] - [ -0.0001286400000000, 0.0003731500000000, 0.0000404200000000 ] - [ 0.0001286400000000, 0.0003731500000000, -0.0000404200000000 ] - [ -0.0000538700000000, 0.0008255400000000, -0.0003319700000000 ] - [ 0.0000088500000000, 0.0000536300000000, -0.0000952600000000 ] - [ 0.0000729100000000, -0.0000061200000000, 0.0000645300000000 ] - [ -0.0000729100000000, -0.0000061200000000, -0.0000645300000000 ] - [ -0.0000088500000000, 0.0000536300000000, 0.0000952600000000 ] - [ -0.0002282600000000, -0.0004385800000000, -0.0001739700000000 ] - [ 0.0000627600000000, -0.0001728300000000, -0.0000335600000000 ] - [ 0.0002282600000000, -0.0004385800000000, 0.0001739700000000 ] - [ -0.0000627600000000, -0.0001728300000000, 0.0000335600000000 ] - [ -0.0003886800000000, -0.0000645200000000, -0.0004328100000000 ] - [ -0.0005220100000000, 0.0002134100000000, 0.0004949800000000 ] - [ 0.0005220100000000, 0.0002134100000000, -0.0004949800000000 ] - [ 0.0003886800000000, -0.0000645200000000, 0.0004328100000000 ] - [ 0.0000458000000000, -0.0006147400000000, 0.0000115600000000 ] - [ 0.0000128700000000, -0.0002849300000000, 0.0001016100000000 ] - [ -0.0000458000000000, -0.0006147400000000, -0.0000115600000000 ] - [ -0.0000128700000000, -0.0002849300000000, -0.0001016100000000 ] - [ 0.0003489500000000, 0.0004775100000000, 0.0013248900000000 ] - [ 0.0002148700000000, -0.0001657300000000, -0.0004390200000000 ] - [ -0.0002148700000000, -0.0001657300000000, 0.0004390200000000 ] - [ -0.0003489500000000, 0.0004775100000000, -0.0013248900000000 ] - [ -0.0004593500000000, -0.0011735100000000, 0.0002136200000000 ] - [ 0.0000717700000000, -0.0002036100000000, -0.0000545000000000 ] - [ 0.0004593500000000, -0.0011735100000000, -0.0002136200000000 ] - [ -0.0000717700000000, -0.0002036100000000, 0.0000545000000000 ] - [ -0.0000600800000000, 0.0001221000000000, -0.0000624400000000 ] - [ -0.0001988500000000, -0.0000213700000000, -0.0000920400000000 ] - [ 0.0001988500000000, -0.0000213700000000, 0.0000920400000000 ] - [ 0.0000600800000000, 0.0001221000000000, 0.0000624400000000 ] - [ 0.0005573600000000, 0.0000122700000000, 0.0004416300000000 ] - [ 0.0001246600000000, -0.0000433000000000, 0.0001228700000000 ] - [ -0.0005573600000000, 0.0000122700000000, -0.0004416300000000 ] - [ -0.0001246600000000, -0.0000433000000000, -0.0001228700000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0007231000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001532800000000, 0.0000000000000000 ] - [ -0.0000491600000000, -0.0002750500000000, 0.0000275300000000 ] - [ 0.0000491600000000, -0.0002750500000000, -0.0000275300000000 ] - [ 0.0000000000000000, 0.0979716400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002835400000000, 0.0000000000000000 ] - [ 0.0000124100000000, -0.0001831600000000, 0.0000977700000000 ] - [ -0.0000124100000000, -0.0001831600000000, -0.0000977700000000 ] - [ -0.0000676400000000, -0.0001699900000000, 0.0001656200000000 ] - [ 0.0000456500000000, -0.0005179600000000, 0.0001765300000000 ] - [ -0.0000456500000000, -0.0005179600000000, -0.0001765300000000 ] - [ 0.0000676400000000, -0.0001699900000000, -0.0001656200000000 ] - [ -0.0001156900000000, 0.0002280300000000, -0.0000653600000000 ] - [ -0.0004384100000000, 0.0001898000000000, -0.0001947400000000 ] - [ 0.0001156900000000, 0.0002280300000000, 0.0000653600000000 ] - [ 0.0004384100000000, 0.0001898000000000, 0.0001947400000000 ] - [ -0.0005174600000000, -0.0006510700000000, -0.0004151500000000 ] - [ -0.0001342100000000, -0.0002343700000000, -0.0000510600000000 ] - [ 0.0001342100000000, -0.0002343700000000, 0.0000510600000000 ] - [ 0.0005174600000000, -0.0006510700000000, 0.0004151500000000 ] - [ 0.0000819700000000, 0.0000772100000000, 0.0000139800000000 ] - [ 0.0000628000000000, -0.0003394800000000, 0.0002967800000000 ] - [ -0.0000819700000000, 0.0000772100000000, -0.0000139800000000 ] - [ -0.0000628000000000, -0.0003394800000000, -0.0002967800000000 ] - [ 0.0000247300000000, -0.0000416200000000, -0.0002039500000000 ] - [ 0.0000676100000000, 0.0000406600000000, -0.0002100300000000 ] - [ -0.0000247300000000, -0.0000416200000000, 0.0002039500000000 ] - [ -0.0000676100000000, 0.0000406600000000, 0.0002100300000000 ] - [ 0.0008899900000000, -0.0046474800000000, -0.0050046000000000 ] - [ 0.0000010500000000, -0.0001549300000000, 0.0001964200000000 ] - [ -0.0000010500000000, -0.0001549300000000, -0.0001964200000000 ] - [ -0.0008899900000000, -0.0046474800000000, 0.0050046000000000 ] - [ 0.0000055600000000, -0.0003022000000000, 0.0003181200000000 ] - [ 0.0000925600000000, -0.0002148700000000, 0.0002318000000000 ] - [ -0.0000925600000000, -0.0002148700000000, -0.0002318000000000 ] - [ -0.0000055600000000, -0.0003022000000000, -0.0003181200000000 ] - [ 0.0042912500000000, -0.0032811300000000, -0.0012071400000000 ] - [ -0.0000787700000000, 0.0001823700000000, -0.0000958000000000 ] - [ -0.0042912500000000, -0.0032811300000000, 0.0012071400000000 ] - [ 0.0000787700000000, 0.0001823700000000, 0.0000958000000000 ] - [ 0.0000000000000000, -0.0000276400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000501100000000, 0.0000000000000000 ] - [ 0.0001022600000000, 0.0001208000000000, 0.0001299400000000 ] - [ -0.0001022600000000, 0.0001208000000000, -0.0001299400000000 ] - [ 0.0000000000000000, -0.0001827900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001765400000000, 0.0000000000000000 ] - [ 0.0000194200000000, 0.0003155500000000, -0.0000971100000000 ] - [ -0.0000194200000000, 0.0003155500000000, 0.0000971100000000 ] - [ -0.0002303000000000, 0.0004657000000000, 0.0004226100000000 ] - [ 0.0042766100000000, 0.0020375000000000, -0.0034896000000000 ] - [ -0.0042766100000000, 0.0020375000000000, 0.0034896000000000 ] - [ 0.0002303000000000, 0.0004657000000000, -0.0004226100000000 ] - [ 0.0002150000000000, -0.0007909100000000, -0.0006159400000000 ] - [ 0.0001200800000000, -0.0002627600000000, -0.0001871900000000 ] - [ -0.0002150000000000, -0.0007909100000000, 0.0006159400000000 ] - [ -0.0001200800000000, -0.0002627600000000, 0.0001871900000000 ] - [ -0.0003835600000000, -0.0002273600000000, -0.0001678600000000 ] - [ -0.0003579500000000, -0.0004731800000000, -0.0004502100000000 ] - [ 0.0003579500000000, -0.0004731800000000, 0.0004502100000000 ] - [ 0.0003835600000000, -0.0002273600000000, 0.0001678600000000 ] - [ 0.0005107600000000, 0.0005920500000000, 0.0003916700000000 ] - [ 0.0003642000000000, 0.0002855300000000, 0.0001629300000000 ] - [ -0.0005107600000000, 0.0005920500000000, -0.0003916700000000 ] - [ -0.0003642000000000, 0.0002855300000000, -0.0001629300000000 ] - [ 0.0001459000000000, 0.0004340700000000, -0.0002116200000000 ] - [ 0.0001956300000000, 0.0004047500000000, -0.0002293300000000 ] - [ -0.0001459000000000, 0.0004340700000000, 0.0002116200000000 ] - [ -0.0001956300000000, 0.0004047500000000, 0.0002293300000000 ] - [ -0.0001417900000000, -0.0004000000000000, 0.0002100200000000 ] - [ -0.0001798600000000, -0.0003724000000000, 0.0001658800000000 ] - [ 0.0001798600000000, -0.0003724000000000, -0.0001658800000000 ] - [ 0.0001417900000000, -0.0004000000000000, -0.0002100200000000 ] - [ 0.0000352200000000, 0.0001084900000000, 0.0000591500000000 ] - [ -0.0000040100000000, 0.0002279300000000, -0.0000760400000000 ] - [ 0.0000040100000000, 0.0002279300000000, 0.0000760400000000 ] - [ -0.0000352200000000, 0.0001084900000000, -0.0000591500000000 ] - [ -0.0001201200000000, -0.0001955900000000, -0.0000114000000000 ] - [ -0.0000545900000000, -0.0002073100000000, -0.0000523700000000 ] - [ 0.0001201200000000, -0.0001955900000000, 0.0000114000000000 ] - [ 0.0000545900000000, -0.0002073100000000, 0.0000523700000000 ] - [ 0.0000429100000000, 0.0003829300000000, 0.0000745300000000 ] - [ -0.0004314300000000, 0.0006527600000000, 0.0003620500000000 ] - [ 0.0004314300000000, 0.0006527600000000, -0.0003620500000000 ] - [ -0.0000429100000000, 0.0003829300000000, -0.0000745300000000 ] - [ -0.0257676600000000, -0.0455960000000000, 0.0230560900000000 ] - [ 0.0000819100000000, -0.0006714100000000, -0.0000813900000000 ] - [ 0.0257676600000000, -0.0455960000000000, -0.0230560900000000 ] - [ -0.0000819100000000, -0.0006714100000000, 0.0000813900000000 ] - [ 0.0010174600000000, 0.0024084700000000, 0.0004153200000000 ] - [ 0.0001093200000000, -0.0001404600000000, -0.0000749200000000 ] - [ -0.0010174600000000, 0.0024084700000000, -0.0004153200000000 ] - [ -0.0001093200000000, -0.0001404600000000, 0.0000749200000000 ] - [ -0.0000986300000000, 0.0005141900000000, 0.0000629900000000 ] - [ -0.0001558900000000, 0.0005202200000000, 0.0001816500000000 ] - [ 0.0001558900000000, 0.0005202200000000, -0.0001816500000000 ] - [ 0.0000986300000000, 0.0005141900000000, -0.0000629900000000 ] - [ 0.0000363300000000, -0.0004556300000000, -0.0001936000000000 ] - [ 0.0000402500000000, -0.0004675600000000, -0.0000780100000000 ] - [ -0.0000402500000000, -0.0004675600000000, 0.0000780100000000 ] - [ -0.0000363300000000, -0.0004556300000000, 0.0001936000000000 ] - [ -0.0001132000000000, 0.0003472300000000, 0.0001108700000000 ] - [ 0.0000639500000000, 0.0001851800000000, -0.0001110600000000 ] - [ 0.0001132000000000, 0.0003472300000000, -0.0001108700000000 ] - [ -0.0000639500000000, 0.0001851800000000, 0.0001110600000000 ] - [ 0.0001588400000000, 0.0001136000000000, -0.0000642400000000 ] - [ 0.0003307400000000, 0.0001979800000000, 0.0000160300000000 ] - [ -0.0001588400000000, 0.0001136000000000, 0.0000642400000000 ] - [ -0.0003307400000000, 0.0001979800000000, -0.0000160300000000 ] - [ -0.0003300300000000, -0.0005679100000000, -0.0001817700000000 ] - [ -0.0001515200000000, -0.0001179500000000, 0.0001063100000000 ] - [ 0.0001515200000000, -0.0001179500000000, -0.0001063100000000 ] - [ 0.0003300300000000, -0.0005679100000000, 0.0001817700000000 ] - [ -0.0000379800000000, 0.0002293200000000, 0.0000511100000000 ] - [ -0.0001027000000000, 0.0002886600000000, -0.0001089900000000 ] - [ 0.0001027000000000, 0.0002886600000000, 0.0001089900000000 ] - [ 0.0000379800000000, 0.0002293200000000, -0.0000511100000000 ] - [ 0.0002607400000000, 0.0001606300000000, 0.0002203400000000 ] - [ -0.0000333300000000, -0.0001096500000000, 0.0000777800000000 ] - [ -0.0002607400000000, 0.0001606300000000, -0.0002203400000000 ] - [ 0.0000333300000000, -0.0001096500000000, -0.0000777800000000 ] - [ 0.0003041600000000, 0.0004792400000000, 0.0003184700000000 ] - [ 0.0004355100000000, 0.0001987700000000, -0.0006148900000000 ] - [ -0.0004355100000000, 0.0001987700000000, 0.0006148900000000 ] - [ -0.0003041600000000, 0.0004792400000000, -0.0003184700000000 ] - [ 0.0000411200000000, 0.0002020900000000, 0.0001076100000000 ] - [ 0.0000750800000000, -0.0001268200000000, 0.0000177500000000 ] - [ -0.0000411200000000, 0.0002020900000000, -0.0001076100000000 ] - [ -0.0000750800000000, -0.0001268200000000, -0.0000177500000000 ] - [ -0.0003634500000000, -0.0001952200000000, -0.0013275200000000 ] - [ -0.0002469500000000, 0.0004504200000000, 0.0003938000000000 ] - [ 0.0002469500000000, 0.0004504200000000, -0.0003938000000000 ] - [ 0.0003634500000000, -0.0001952200000000, 0.0013275200000000 ] - [ 0.0004728100000000, 0.0008751700000000, -0.0001604600000000 ] - [ -0.0000413400000000, -0.0000787900000000, 0.0000974900000000 ] - [ -0.0004728100000000, 0.0008751700000000, 0.0001604600000000 ] - [ 0.0000413400000000, -0.0000787900000000, -0.0000974900000000 ] - [ -0.0000264600000000, 0.0002909400000000, -0.0000565200000000 ] - [ 0.0001100900000000, 0.0004329300000000, -0.0000278500000000 ] - [ -0.0001100900000000, 0.0004329300000000, 0.0000278500000000 ] - [ 0.0000264600000000, 0.0002909400000000, 0.0000565200000000 ] - [ -0.0004745500000000, -0.0004259400000000, -0.0003268700000000 ] - [ -0.0000370300000000, -0.0003691500000000, -0.0000023000000000 ] - [ 0.0004745500000000, -0.0004259400000000, 0.0003268700000000 ] - [ 0.0000370300000000, -0.0003691500000000, 0.0000023000000000 ]- atom: 5 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0001510500000000, 0.0000880700000000, -0.0011723900000000 ] - [ -0.0000389700000000, 0.0000882500000000, 0.0002234300000000 ] - [ 0.0000568800000000, -0.0000702000000000, -0.0000084100000000 ] - [ 0.0000557200000000, -0.0001057800000000, -0.0000106300000000 ] - [ 0.0605190100000000, 0.0011161400000000, -0.0780041500000000 ] - [ -0.0004596000000000, -0.0000206200000000, 0.0010674500000000 ] - [ 0.0000437100000000, -0.0000727300000000, 0.0002123700000000 ] - [ 0.0000441600000000, 0.0001093800000000, 0.0002146400000000 ] - [ -0.0000522500000000, -0.0000358800000000, 0.0003133500000000 ] - [ -0.0001308700000000, 0.0000542000000000, 0.0000415700000000 ] - [ 0.0000681300000000, -0.0001306400000000, -0.0003501800000000 ] - [ 0.0001469900000000, -0.0000414300000000, -0.0000792500000000 ] - [ -0.0001148400000000, -0.0000357900000000, -0.0002174100000000 ] - [ 0.0006049000000000, 0.0000950100000000, -0.0001271700000000 ] - [ -0.0003123200000000, 0.0001164600000000, 0.0001747600000000 ] - [ 0.0004052900000000, -0.0000162800000000, 0.0002644900000000 ] - [ 0.0004996100000000, 0.0000937600000000, -0.0006901200000000 ] - [ -0.0002217000000000, -0.0002569800000000, 0.0000882500000000 ] - [ 0.0000424100000000, -0.0001930700000000, 0.0004933800000000 ] - [ 0.0007678700000000, -0.0005441700000000, -0.0002898500000000 ] - [ 0.0000830800000000, 0.0003493700000000, 0.0000531500000000 ] - [ 0.0001632100000000, -0.0002226500000000, 0.0003707000000000 ] - [ -0.0001796100000000, 0.0000999000000000, -0.0003501900000000 ] - [ -0.0001007800000000, 0.0006735600000000, -0.0000329300000000 ] - [ 0.0001359700000000, -0.0000058800000000, -0.0001616200000000 ] - [ 0.0001204900000000, 0.0002936900000000, -0.0001314900000000 ] - [ -0.0000864300000000, 0.0004940100000000, 0.0002282300000000 ] - [ -0.0001002100000000, 0.0001922400000000, 0.0002580600000000 ] - [ 0.0003780100000000, 0.0069380800000000, 0.0034764600000000 ] - [ -0.0003246900000000, -0.0003458800000000, 0.0004633900000000 ] - [ -0.0001030300000000, -0.0001415200000000, 0.0000735000000000 ] - [ 0.0006221300000000, -0.0075260700000000, 0.0031464700000000 ] - [ 0.0001501900000000, 0.0000060400000000, 0.0000857900000000 ] - [ -0.0000274800000000, 0.0000514600000000, 0.0001883100000000 ] - [ -0.0001685000000000, -0.0000517700000000, -0.0001054000000000 ] - [ 0.0000125100000000, -0.0000088700000000, -0.0002102000000000 ] - [ 0.0003258200000000, 0.0013930800000000, -0.0018076200000000 ] - [ -0.0003550200000000, -0.0002087200000000, 0.0003771800000000 ] - [ 0.0004691700000000, -0.0013713600000000, -0.0015183200000000 ] - [ -0.0002136700000000, 0.0002080000000000, 0.0006706700000000 ] - [ -0.0002796500000000, 0.0000878900000000, -0.0003747200000000 ] - [ 0.0004052800000000, 0.0000895100000000, 0.0004369600000000 ] - [ -0.0000389200000000, -0.0001703400000000, -0.0000487000000000 ] - [ -0.0000395500000000, -0.0000048500000000, -0.0000498800000000 ] - [ -0.0001514500000000, -0.0000186700000000, -0.0000913000000000 ] - [ 0.0000449900000000, -0.0000188900000000, 0.0001246000000000 ] - [ 0.0000886100000000, 0.0001180100000000, -0.0001631000000000 ] - [ 0.0000904800000000, -0.0000811900000000, -0.0001655800000000 ] - [ -0.0004239500000000, 0.0003253800000000, 0.0008029600000000 ] - [ -0.0075445800000000, -0.0001266600000000, 0.0052755800000000 ] - [ -0.0072319800000000, 0.0000532500000000, 0.0047782100000000 ] - [ -0.0002250500000000, -0.0004040300000000, 0.0004070800000000 ] - [ 0.0003547000000000, 0.0004899400000000, -0.0007194700000000 ] - [ 0.0000100000000000, -0.0003910100000000, -0.0000613400000000 ] - [ 0.0001527100000000, -0.0004165800000000, -0.0003192100000000 ] - [ -0.0001878800000000, 0.0004702300000000, 0.0003297700000000 ] - [ -0.0007059300000000, -0.0003510000000000, -0.0002716500000000 ] - [ 0.0004382600000000, 0.0001792600000000, 0.0002861400000000 ] - [ 0.0006993000000000, -0.0006270400000000, 0.0006896500000000 ] - [ -0.0004507500000000, -0.0000984700000000, 0.0001317400000000 ] - [ 0.0003217900000000, 0.0001297300000000, -0.0008203400000000 ] - [ -0.0002455600000000, 0.0002300300000000, 0.0004762500000000 ] - [ 0.0000530000000000, 0.0003208900000000, -0.0012336100000000 ] - [ -0.0005087500000000, 0.0002184300000000, 0.0000741900000000 ] - [ -0.0000957200000000, 0.0001684300000000, -0.0003168000000000 ] - [ 0.0001971600000000, 0.0002882300000000, -0.0001014200000000 ] - [ -0.0003159600000000, 0.0003187900000000, 0.0000708000000000 ] - [ -0.0000247100000000, 0.0001985500000000, 0.0002891700000000 ] - [ -0.0002372700000000, -0.0003070400000000, -0.0000148400000000 ] - [ 0.0000221100000000, -0.0001520400000000, 0.0003799100000000 ] - [ 0.0002424600000000, -0.0003334000000000, -0.0000111000000000 ] - [ -0.0000166100000000, -0.0001789300000000, -0.0004053600000000 ] - [ -0.0000587500000000, -0.0000347600000000, 0.0000989100000000 ] - [ 0.0002455700000000, -0.0000946200000000, 0.0003311300000000 ] - [ 0.0001051800000000, 0.0000924900000000, 0.0000348700000000 ] - [ -0.0002007200000000, 0.0000325800000000, -0.0001967900000000 ] - [ -0.0002333100000000, 0.0001484100000000, -0.0004201700000000 ] - [ 0.0000668500000000, -0.0002165200000000, 0.0001598900000000 ] - [ -0.0000923200000000, -0.0001462400000000, -0.0001255300000000 ] - [ 0.0002085800000000, 0.0002206200000000, 0.0004566600000000 ] - [ 0.0000595900000000, 0.0002130500000000, 0.0000178300000000 ] - [ -0.0001927200000000, -0.0001515600000000, 0.0001107500000000 ] - [ -0.0001463600000000, 0.0002551000000000, -0.0001040800000000 ] - [ 0.0001013700000000, -0.0001108500000000, -0.0001936600000000 ] - [ -0.0238146400000000, -0.0257634200000000, 0.0256294400000000 ] - [ 0.0005159700000000, -0.0001694800000000, -0.0005985400000000 ] - [ -0.0228571100000000, 0.0245856800000000, 0.0252192100000000 ] - [ 0.0004738700000000, 0.0000697300000000, -0.0003844300000000 ] - [ -0.0031761500000000, -0.0017921500000000, 0.0035203800000000 ] - [ 0.0005963500000000, -0.0000589600000000, -0.0005717000000000 ] - [ -0.0034722500000000, 0.0015283600000000, 0.0036944300000000 ] - [ 0.0003206800000000, -0.0001953600000000, -0.0004232800000000 ] - [ -0.0000028500000000, 0.0001621200000000, 0.0001150500000000 ] - [ -0.0001688700000000, 0.0002505600000000, 0.0001216400000000 ] - [ 0.0001091000000000, 0.0000047600000000, -0.0000283700000000 ] - [ 0.0002731900000000, 0.0000936700000000, -0.0000339000000000 ] - [ -0.0002704000000000, -0.0000051200000000, -0.0000147600000000 ] - [ 0.0002136600000000, 0.0000129800000000, 0.0002048500000000 ] - [ 0.0002544600000000, 0.0000891800000000, -0.0000070000000000 ] - [ -0.0002294500000000, 0.0001100600000000, -0.0002272100000000 ] - [ 0.0002494700000000, 0.0000471900000000, 0.0002179500000000 ] - [ -0.0002060800000000, -0.0000912800000000, -0.0004096800000000 ] - [ 0.0002076700000000, -0.0001510000000000, 0.0004281300000000 ] - [ -0.0002468700000000, -0.0000129600000000, -0.0001976600000000 ] - [ 0.0005798900000000, 0.0001014000000000, 0.0005095700000000 ] - [ -0.0004069000000000, -0.0003594100000000, -0.0004557000000000 ] - [ 0.0003063000000000, -0.0003598900000000, 0.0006626700000000 ] - [ -0.0006810600000000, 0.0000986500000000, -0.0003065500000000 ] - [ -0.0002638900000000, 0.0003754600000000, 0.0004823600000000 ] - [ -0.0000944500000000, 0.0000298400000000, 0.0000798300000000 ] - [ 0.0001804800000000, 0.0002265700000000, -0.0000727700000000 ] - [ 0.0000105500000000, -0.0001239600000000, 0.0003377000000000 ] - [ 0.0000657300000000, 0.0000899000000000, -0.0000483600000000 ] - [ -0.0001321000000000, 0.0002512500000000, -0.0000003900000000 ] - [ -0.0001029100000000, 0.0000307100000000, 0.0000436700000000 ] - [ 0.0000948700000000, 0.0001914800000000, -0.0000035400000000 ] - [ -0.0000429800000000, -0.0000249400000000, 0.0002979300000000 ] - [ -0.0000273900000000, -0.0001420500000000, -0.0001513000000000 ] - [ -0.0000738800000000, -0.0002595600000000, 0.0002562000000000 ] - [ -0.0000572300000000, -0.0001406800000000, -0.0001951900000000 ] - [ -0.0005718600000000, -0.0002621200000000, -0.0004493700000000 ] - [ 0.0005963600000000, 0.0006900300000000, -0.0001291000000000 ] - [ 0.0006829300000000, -0.0002809200000000, -0.0000138500000000 ] - [ -0.0004880500000000, 0.0006770900000000, -0.0003368200000000 ] - [ 0.0000147100000000, -0.0001462500000000, 0.0002894900000000 ] - [ 0.0001096800000000, -0.0001743600000000, -0.0001345900000000 ] - [ -0.0000731700000000, -0.0002659500000000, 0.0001698700000000 ] - [ 0.0000217500000000, -0.0002384300000000, -0.0002542300000000 ] - [ 0.0004957900000000, 0.0003631200000000, 0.0036690300000000 ] - [ 0.0004475400000000, -0.0003688900000000, -0.0008061300000000 ] - [ 0.0004762300000000, 0.0006500800000000, -0.0007559100000000 ] - [ 0.0005816800000000, -0.0000546900000000, 0.0038552300000000 ] - [ 0.0002283500000000, 0.0007199300000000, 0.0001335600000000 ] - [ 0.0001139700000000, -0.0003129300000000, -0.0003711300000000 ] - [ 0.0001986900000000, -0.0009971800000000, 0.0000841900000000 ] - [ 0.0000830600000000, 0.0000294100000000, -0.0004138500000000 ] - [ 0.0000799500000000, 0.0003046000000000, -0.0001661400000000 ] - [ -0.0002470100000000, 0.0000627200000000, 0.0000740900000000 ] - [ -0.0001585200000000, 0.0003489000000000, 0.0001915700000000 ] - [ 0.0001672400000000, 0.0001076100000000, -0.0000471100000000 ] - [ 0.0012386900000000, -0.0001248300000000, 0.0009524100000000 ] - [ -0.0001601600000000, -0.0002689600000000, -0.0003553700000000 ] - [ 0.0011501900000000, -0.0002842500000000, 0.0008276100000000 ] - [ -0.0002487200000000, -0.0001415700000000, -0.0004768000000000 ]- atom: 9 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ 0.0001226700000000, 0.0001100400000000, 0.0000891900000000 ] - [ 0.0005537000000000, -0.0003275100000000, 0.0008503600000000 ] - [ 0.0004039200000000, -0.0002089700000000, 0.0000349200000000 ] - [ 0.0001416800000000, -0.0000803400000000, 0.0002735500000000 ] - [ 0.0000525200000000, -0.0000506800000000, 0.0000607400000000 ] - [ 0.0000867000000000, -0.0001643000000000, -0.0000050700000000 ] - [ 0.0003392400000000, 0.0002347300000000, -0.0001297100000000 ] - [ -0.0000729800000000, 0.0005521300000000, 0.0004971600000000 ] - [ -0.0662670800000000, 0.0450842700000000, 0.0474514500000000 ] - [ -0.0001813400000000, -0.0000360700000000, 0.0001077700000000 ] - [ 0.0002231300000000, -0.0000776800000000, 0.0003919600000000 ] - [ 0.0022727100000000, 0.0001141700000000, -0.0015475900000000 ] - [ 0.0001139000000000, 0.0001657200000000, -0.0002031700000000 ] - [ -0.0001554200000000, 0.0005651800000000, -0.0001673200000000 ] - [ -0.0003487900000000, -0.0006061100000000, 0.0002115800000000 ] - [ -0.0003514500000000, 0.0001183000000000, 0.0002558700000000 ] - [ 0.0000744400000000, -0.0001033800000000, -0.0000417200000000 ] - [ 0.0002959900000000, -0.0001155900000000, 0.0000077300000000 ] - [ 0.0004175800000000, -0.0018260300000000, 0.0002786100000000 ] - [ 0.0001050300000000, -0.0002173100000000, 0.0002079100000000 ] - [ 0.0009771800000000, 0.0002303100000000, -0.0001341100000000 ] - [ -0.0005125600000000, 0.0000885400000000, 0.0012179600000000 ] - [ 0.0001429300000000, 0.0001698500000000, -0.0000828300000000 ] - [ 0.0013529000000000, 0.0000745100000000, -0.0006169200000000 ] - [ 0.0005783100000000, 0.0003441200000000, -0.0002945400000000 ] - [ 0.0008864000000000, 0.0006517800000000, 0.0000815800000000 ] - [ -0.0000757900000000, 0.0002687500000000, 0.0002738000000000 ] - [ 0.0016238200000000, 0.0005305400000000, -0.0003951300000000 ] - [ 0.0000072700000000, -0.0002189800000000, 0.0002188000000000 ] - [ -0.0001038000000000, -0.0005056200000000, 0.0004785100000000 ] - [ 0.0004546800000000, -0.0007182100000000, -0.0000725700000000 ] - [ 0.0001311900000000, -0.0002795700000000, -0.0001935000000000 ] - [ 0.0006819300000000, -0.0001974900000000, 0.0000910100000000 ] - [ 0.0005229100000000, -0.0000009000000000, 0.0004325800000000 ] - [ 0.0005225700000000, -0.0001435400000000, -0.0004455400000000 ] - [ -0.0001891800000000, 0.0000536500000000, 0.0000399300000000 ] - [ -0.0000188000000000, 0.0000092000000000, -0.0001954500000000 ] - [ -0.0001569100000000, -0.0001036600000000, -0.0000773400000000 ] - [ 0.0001589900000000, 0.0000666300000000, 0.0002424800000000 ] - [ 0.0005437300000000, -0.0003978500000000, 0.0000934200000000 ] - [ -0.0000642600000000, 0.0000661600000000, -0.0000576300000000 ] - [ -0.0003557400000000, -0.0003509700000000, -0.0008040300000000 ] - [ -0.0001445800000000, -0.0001602900000000, -0.0001756200000000 ] - [ -0.0000353700000000, -0.0001243400000000, -0.0000624200000000 ] - [ -0.0002256700000000, 0.0001180700000000, -0.0004123200000000 ] - [ 0.0056513000000000, -0.0044959700000000, -0.0063094900000000 ] - [ -0.0003219000000000, -0.0001137000000000, 0.0001890300000000 ] - [ -0.0000167000000000, -0.0000021700000000, -0.0001006500000000 ] - [ 0.0001969300000000, -0.0002097500000000, 0.0000456500000000 ] - [ -0.0000808500000000, -0.0000076600000000, 0.0002495400000000 ] - [ 0.0001722500000000, -0.0000278300000000, -0.0002289700000000 ] - [ -0.0000096000000000, -0.0001968000000000, -0.0001493600000000 ] - [ -0.0000579900000000, 0.0001234900000000, -0.0001474500000000 ] - [ -0.0000712900000000, 0.0005801800000000, -0.0003557500000000 ] - [ 0.0002689800000000, 0.0001298700000000, 0.0002126400000000 ] - [ 0.0002678300000000, 0.0002631300000000, 0.0001734900000000 ] - [ -0.0001927100000000, -0.0002457600000000, -0.0003172700000000 ] - [ -0.0005604000000000, -0.0003232600000000, -0.0002251200000000 ] - [ 0.0019494900000000, -0.0019338100000000, 0.0002092600000000 ] - [ 0.0001956600000000, -0.0002737900000000, 0.0001339600000000 ] - [ 0.0000780400000000, -0.0000342900000000, 0.0002973500000000 ] - [ 0.0002226700000000, 0.0001405800000000, 0.0001298800000000 ] - [ -0.0001538600000000, 0.0001446500000000, -0.0002711600000000 ] - [ -0.0002647500000000, 0.0006439200000000, -0.0000012000000000 ] - [ 0.0000102200000000, 0.0001190900000000, -0.0001841300000000 ] - [ 0.0000667000000000, 0.0002449700000000, -0.0002324900000000 ] - [ -0.0001243300000000, 0.0002375800000000, 0.0001566200000000 ] - [ -0.0002531400000000, 0.0002354100000000, 0.0002352400000000 ] - [ -0.0002477700000000, -0.0003354900000000, 0.0001052600000000 ] - [ -0.0004063900000000, -0.0008918800000000, -0.0001500600000000 ] - [ 0.0053452700000000, -0.0064526900000000, -0.0047250800000000 ] - [ 0.0000734300000000, -0.0001864500000000, -0.0002517900000000 ] - [ -0.0000952500000000, -0.0000840100000000, 0.0002082300000000 ] - [ 0.0000044600000000, -0.0000178400000000, 0.0001225600000000 ] - [ -0.0002705400000000, -0.0000473500000000, -0.0000530300000000 ] - [ -0.0000617800000000, -0.0000329100000000, -0.0001868600000000 ] - [ -0.0002308300000000, -0.0000510200000000, -0.0000229700000000 ] - [ 0.0004375400000000, -0.0004067600000000, -0.0007925900000000 ] - [ 0.0000150400000000, -0.0000053200000000, 0.0000862400000000 ] - [ -0.0017023600000000, 0.0002012700000000, 0.0002866600000000 ] - [ -0.0003460700000000, -0.0012519000000000, 0.0004078400000000 ] - [ 0.0000571400000000, 0.0000416000000000, -0.0001958300000000 ] - [ -0.0005096900000000, 0.0000628400000000, -0.0002320300000000 ] - [ -0.0012118500000000, -0.0008963600000000, -0.0002387500000000 ] - [ -0.0000542500000000, -0.0000439300000000, -0.0001785300000000 ] - [ -0.0002394900000000, 0.0003603300000000, -0.0000746700000000 ] - [ -0.0001611800000000, -0.0000358200000000, 0.0001066300000000 ] - [ 0.0000008800000000, 0.0002525200000000, 0.0000185900000000 ] - [ -0.0001298000000000, -0.0002515900000000, -0.0001751800000000 ] - [ -0.0008762900000000, 0.0001449800000000, -0.0012263300000000 ] - [ -0.0001854100000000, -0.0001797800000000, 0.0000474700000000 ] - [ 0.0000720700000000, 0.0006317000000000, -0.0002379500000000 ] - [ -0.0007865500000000, 0.0004606700000000, 0.0003203700000000 ] - [ 0.0001949000000000, 0.0001535700000000, -0.0005945000000000 ] - [ -0.0013695000000000, 0.0012257200000000, 0.0000561000000000 ] - [ -0.0000082900000000, 0.0001199600000000, -0.0004597900000000 ] - [ 0.0005433400000000, 0.0000332200000000, -0.0003507900000000 ] - [ -0.0000075400000000, 0.0000308400000000, 0.0001378600000000 ] - [ 0.0004057200000000, 0.0002327800000000, -0.0003764600000000 ] - [ 0.0001629200000000, 0.0001604200000000, -0.0000428000000000 ] - [ -0.0000313600000000, -0.0001294000000000, 0.0000513300000000 ] - [ 0.0446998400000000, -0.0370965600000000, -0.0422955500000000 ] - [ 0.0005487500000000, 0.0001786600000000, -0.0001677700000000 ] - [ -0.0018193000000000, 0.0037844100000000, 0.0020154400000000 ] - [ 0.0002705500000000, -0.0000514200000000, 0.0000095300000000 ] - [ 0.0011168100000000, 0.0000012500000000, 0.0003204200000000 ] - [ -0.0000496500000000, -0.0000350400000000, 0.0000623200000000 ] - [ -0.0019216300000000, 0.0018310300000000, 0.0036037400000000 ] - [ 0.0000775500000000, 0.0002496800000000, 0.0000779700000000 ] - [ -0.0002013900000000, 0.0001858900000000, 0.0001563300000000 ] - [ 0.0005085700000000, 0.0001706400000000, 0.0000478000000000 ] - [ 0.0001954700000000, 0.0001863300000000, -0.0000012200000000 ] - [ -0.0004777900000000, 0.0004456700000000, 0.0001109600000000 ] - [ 0.0007566500000000, -0.0002605100000000, 0.0004602500000000 ] - [ -0.0020105400000000, -0.0012222500000000, 0.0001643300000000 ] - [ -0.0001869100000000, -0.0000242400000000, 0.0003110200000000 ] - [ 0.0001517400000000, -0.0002726400000000, -0.0000345000000000 ] - [ -0.0002500000000000, -0.0007531600000000, 0.0001030800000000 ] - [ 0.0000186900000000, -0.0001314900000000, 0.0001401500000000 ] - [ 0.0013174900000000, 0.0016684000000000, -0.0016824200000000 ] - [ -0.0003207500000000, 0.0000217800000000, -0.0001082700000000 ] - [ -0.0001234500000000, 0.0002138500000000, -0.0001267500000000 ] - [ -0.0000862000000000, 0.0003728400000000, 0.0002115300000000 ] - [ 0.0001439500000000, 0.0004153000000000, -0.0000504900000000 ] - [ 0.0000736200000000, -0.0002106500000000, 0.0002155700000000 ] - [ 0.0092954000000000, 0.0001212800000000, 0.0045323100000000 ] - [ -0.0002505900000000, -0.0001483700000000, -0.0001880300000000 ] - [ -0.0011018700000000, -0.0000969600000000, -0.0003262700000000 ] - [ -0.0001378200000000, 0.0002061800000000, -0.0001789400000000 ] - [ -0.0001092600000000, 0.0001487400000000, -0.0000265800000000 ] - [ -0.0000104200000000, 0.0000493800000000, 0.0000769400000000 ] - [ 0.0000757600000000, 0.0000976100000000, -0.0000051900000000 ] - [ -0.0000087400000000, -0.0001822200000000, 0.0000853500000000 ] - [ 0.0002907200000000, -0.0002174700000000, -0.0000587700000000 ] - [ -0.0000966600000000, -0.0001716400000000, -0.0001226600000000 ] - [ -0.0006695400000000, -0.0003403900000000, 0.0001903600000000 ] - [ 0.0005532000000000, -0.0004086300000000, -0.0001625000000000 ] - [ 0.0000996000000000, 0.0002453500000000, 0.0001346400000000 ] - [ -0.0001507100000000, 0.0004313900000000, -0.0006165400000000 ] - [ -0.0002783900000000, 0.0004438400000000, 0.0002450700000000 ] - [ 0.0000464000000000, -0.0001938300000000, 0.0000396900000000 ] - [ 0.0000160500000000, 0.0001642100000000, 0.0002378300000000 ] - [ -0.0000571000000000, -0.0001648700000000, 0.0000032500000000 ] - [ 0.0001804800000000, -0.0000626200000000, -0.0000765500000000 ]- atom: 9 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ -0.0001212900000000, 0.0000672100000000, -0.0000881500000000 ] - [ -0.0005497000000000, 0.0005002900000000, -0.0008528800000000 ] - [ -0.0004029000000000, 0.0000315200000000, -0.0000314700000000 ] - [ -0.0001384000000000, -0.0000936300000000, -0.0002708000000000 ] - [ -0.0000530600000000, 0.0000143500000000, -0.0000588600000000 ] - [ -0.0000830100000000, 0.0001262500000000, 0.0000049000000000 ] - [ -0.0003375100000000, -0.0002009700000000, 0.0001291400000000 ] - [ 0.0000754600000000, -0.0005221000000000, -0.0005041200000000 ] - [ 0.0659069700000000, -0.0438375700000000, -0.0455229400000000 ] - [ -0.0000178400000000, -0.0000420200000000, 0.0002848400000000 ] - [ -0.0000267600000000, 0.0000017400000000, -0.0007910000000000 ] - [ -0.0020657200000000, -0.0001896700000000, 0.0011466200000000 ] - [ 0.0000840700000000, -0.0000867200000000, -0.0001889500000000 ] - [ 0.0003486300000000, -0.0004825900000000, -0.0002252600000000 ] - [ 0.0001538800000000, 0.0006928900000000, 0.0001795800000000 ] - [ 0.0001496700000000, -0.0000436600000000, 0.0001413100000000 ] - [ -0.0003394200000000, -0.0003463400000000, -0.0003624900000000 ] - [ -0.0005613600000000, -0.0003336700000000, -0.0004133000000000 ] - [ -0.0001641600000000, 0.0013937000000000, 0.0001334300000000 ] - [ 0.0001585000000000, -0.0002304100000000, 0.0001960600000000 ] - [ -0.0007227600000000, 0.0002192300000000, 0.0005382400000000 ] - [ 0.0007848300000000, 0.0003648100000000, -0.0008104600000000 ] - [ -0.0004088800000000, 0.0002816200000000, -0.0003229100000000 ] - [ -0.0016114700000000, 0.0003778000000000, 0.0002074500000000 ] - [ -0.0003580600000000, 0.0001423100000000, -0.0000928300000000 ] - [ -0.0006661300000000, -0.0001618300000000, -0.0004597000000000 ] - [ -0.0001446500000000, 0.0002170200000000, 0.0001129500000000 ] - [ -0.0018518600000000, -0.0000475000000000, 0.0007876400000000 ] - [ -0.0002283900000000, -0.0002662800000000, 0.0001692300000000 ] - [ -0.0001137900000000, 0.0000244600000000, -0.0000915800000000 ] - [ -0.0002326400000000, 0.0002350300000000, -0.0003161800000000 ] - [ 0.0000912700000000, -0.0002070100000000, -0.0001953100000000 ] - [ -0.0005444300000000, 0.0001939000000000, 0.0002093100000000 ] - [ -0.0003875700000000, 0.0000001600000000, -0.0001410400000000 ] - [ -0.0006711900000000, 0.0001420600000000, 0.0001558600000000 ] - [ 0.0000511000000000, -0.0000540500000000, -0.0003342500000000 ] - [ -0.0001210900000000, -0.0000078600000000, -0.0000989200000000 ] - [ 0.0000226500000000, 0.0001031500000000, -0.0002128500000000 ] - [ -0.0000193200000000, -0.0000631400000000, 0.0000537200000000 ] - [ -0.0004076500000000, 0.0004051100000000, 0.0002030400000000 ] - [ 0.0000656300000000, 0.0001105700000000, 0.0000562900000000 ] - [ 0.0003497100000000, 0.0005258500000000, 0.0007980300000000 ] - [ 0.0001429100000000, -0.0000178700000000, 0.0001721500000000 ] - [ 0.0000337100000000, -0.0000519300000000, 0.0000626400000000 ] - [ 0.0002286700000000, -0.0001582100000000, 0.0004188800000000 ] - [ -0.0055997300000000, 0.0044444800000000, 0.0062342500000000 ] - [ 0.0003239900000000, 0.0001431700000000, -0.0001923400000000 ] - [ 0.0000143900000000, 0.0000380800000000, 0.0001016200000000 ] - [ -0.0003970000000000, 0.0001309700000000, 0.0003461300000000 ] - [ -0.0001184300000000, -0.0000708500000000, 0.0001428100000000 ] - [ 0.0000276800000000, -0.0000495700000000, -0.0001643000000000 ] - [ 0.0002088600000000, 0.0001182500000000, -0.0002422400000000 ] - [ 0.0002576400000000, -0.0000459000000000, -0.0002444700000000 ] - [ 0.0002758500000000, -0.0005062700000000, -0.0000362900000000 ] - [ -0.0004696200000000, -0.0000537800000000, 0.0001816300000000 ] - [ -0.0004682100000000, -0.0001869800000000, 0.0002195600000000 ] - [ -0.0000705000000000, -0.0002038300000000, -0.0000907000000000 ] - [ 0.0002947000000000, -0.0001219200000000, -0.0001745800000000 ] - [ -0.0016757700000000, 0.0014758100000000, 0.0001950600000000 ] - [ 0.0000679400000000, -0.0001753200000000, 0.0002684300000000 ] - [ 0.0001854400000000, 0.0004835900000000, 0.0001064000000000 ] - [ 0.0000411700000000, 0.0003085600000000, 0.0002750100000000 ] - [ -0.0001101300000000, 0.0003034700000000, -0.0001318100000000 ] - [ 0.0000019700000000, -0.0001896800000000, -0.0004017600000000 ] - [ 0.0002118400000000, 0.0003648600000000, -0.0002074800000000 ] - [ 0.0001537300000000, 0.0002405500000000, -0.0001556700000000 ] - [ -0.0000980100000000, 0.0002488500000000, 0.0002319000000000 ] - [ 0.0000300100000000, 0.0002409300000000, 0.0001498200000000 ] - [ 0.0000295400000000, -0.0001505700000000, 0.0002820900000000 ] - [ 0.0001786800000000, 0.0004006100000000, 0.0005378500000000 ] - [ -0.0050634900000000, 0.0058882900000000, 0.0043203900000000 ] - [ 0.0001489500000000, -0.0003017800000000, -0.0001364000000000 ] - [ 0.0002361000000000, 0.0000816900000000, 0.0000848200000000 ] - [ 0.0001338700000000, 0.0000149200000000, 0.0001735600000000 ] - [ 0.0001275300000000, 0.0000434700000000, -0.0002424900000000 ] - [ -0.0000787400000000, 0.0000308700000000, -0.0001084400000000 ] - [ 0.0000906100000000, 0.0000531600000000, -0.0002733100000000 ] - [ -0.0005803700000000, 0.0004068700000000, 0.0004982000000000 ] - [ 0.0001245000000000, 0.0000067700000000, 0.0002080400000000 ] - [ 0.0018072900000000, -0.0001728300000000, 0.0000311900000000 ] - [ 0.0003001700000000, 0.0013653200000000, -0.0001987700000000 ] - [ -0.0001027600000000, 0.0000609200000000, 0.0004102500000000 ] - [ 0.0005519200000000, 0.0000432300000000, 0.0000173600000000 ] - [ 0.0012622000000000, 0.0010058500000000, 0.0000237800000000 ] - [ 0.0000959700000000, -0.0000602900000000, -0.0000328600000000 ] - [ 0.0002789700000000, -0.0004675400000000, -0.0001356300000000 ] - [ 0.0001190600000000, -0.0000680100000000, 0.0001049900000000 ] - [ -0.0000475800000000, -0.0003522900000000, 0.0001857800000000 ] - [ 0.0004069100000000, -0.0000049800000000, 0.0000268000000000 ] - [ 0.0011551900000000, -0.0004028100000000, 0.0010836800000000 ] - [ -0.0000903200000000, -0.0000756800000000, 0.0001011200000000 ] - [ -0.0003651100000000, -0.0008891200000000, 0.0003819600000000 ] - [ 0.0005065000000000, -0.0002041100000000, -0.0001722300000000 ] - [ -0.0004822200000000, 0.0000928200000000, 0.0007447100000000 ] - [ 0.0016503200000000, -0.0009749600000000, -0.0002077100000000 ] - [ 0.0002848900000000, 0.0001303600000000, 0.0003149700000000 ] - [ -0.0005743300000000, 0.0000702600000000, 0.0005582000000000 ] - [ -0.0000335100000000, 0.0000741500000000, 0.0000727900000000 ] - [ -0.0003743600000000, -0.0001285800000000, 0.0001746000000000 ] - [ -0.0001159000000000, -0.0000530800000000, -0.0001686700000000 ] - [ 0.0000764900000000, 0.0000281300000000, -0.0002640600000000 ] - [ -0.0441305600000000, 0.0357844400000000, 0.0408026900000000 ] - [ -0.0005963800000000, -0.0002802000000000, 0.0003883400000000 ] - [ 0.0017776300000000, -0.0038752300000000, -0.0018092100000000 ] - [ 0.0000029600000000, -0.0002042800000000, -0.0001567100000000 ] - [ -0.0008096400000000, -0.0002676100000000, -0.0004808800000000 ] - [ -0.0002270600000000, -0.0002180600000000, 0.0000879100000000 ] - [ 0.0016481400000000, -0.0020937800000000, -0.0034400400000000 ] - [ -0.0003519000000000, 0.0000061400000000, 0.0000748000000000 ] - [ -0.0000729900000000, 0.0000693600000000, -0.0000072300000000 ] - [ -0.0002353600000000, 0.0000880600000000, -0.0001899000000000 ] - [ 0.0000803900000000, 0.0000681300000000, -0.0001499700000000 ] - [ 0.0004508000000000, -0.0001691900000000, -0.0001503800000000 ] - [ -0.0007836600000000, 0.0005410700000000, -0.0005040600000000 ] - [ 0.0020540100000000, 0.0014973200000000, -0.0001178400000000 ] - [ 0.0002166700000000, 0.0003049100000000, -0.0002660100000000 ] - [ -0.0001214600000000, -0.0000100400000000, 0.0000809900000000 ] - [ 0.0002816700000000, 0.0004689400000000, -0.0000585600000000 ] - [ -0.0000486200000000, -0.0001520200000000, -0.0001856000000000 ] - [ -0.0013651700000000, -0.0019633300000000, 0.0016481000000000 ] - [ 0.0002342700000000, 0.0003882000000000, -0.0000121800000000 ] - [ 0.0000356900000000, 0.0001980900000000, 0.0000080200000000 ] - [ 0.0001727100000000, 0.0000375400000000, -0.0000903300000000 ] - [ -0.0000581900000000, -0.0000033200000000, 0.0001678500000000 ] - [ 0.0000143000000000, -0.0002016100000000, -0.0000976400000000 ] - [ -0.0096394900000000, -0.0005494300000000, -0.0046368500000000 ] - [ 0.0001657700000000, -0.0002641200000000, 0.0000677700000000 ] - [ 0.0010168400000000, -0.0003155600000000, 0.0002091300000000 ] - [ 0.0001088200000000, 0.0000778800000000, 0.0001336300000000 ] - [ 0.0000798100000000, 0.0001347000000000, -0.0000174700000000 ] - [ 0.0000380800000000, 0.0002338300000000, -0.0000321600000000 ] - [ -0.0000469700000000, 0.0001856400000000, 0.0000489200000000 ] - [ 0.0000369600000000, -0.0000992200000000, -0.0000416200000000 ] - [ -0.0002650200000000, -0.0000635000000000, 0.0001026900000000 ] - [ 0.0000678200000000, -0.0001103000000000, 0.0000791900000000 ] - [ 0.0006387600000000, 0.0000600000000000, -0.0002332500000000 ] - [ -0.0006482900000000, 0.0008131700000000, 0.0000438700000000 ] - [ -0.0001868600000000, 0.0001681900000000, -0.0002552900000000 ] - [ 0.0002396000000000, -0.0000184900000000, 0.0007338600000000 ] - [ 0.0003669400000000, -0.0000309000000000, -0.0001248300000000 ] - [ 0.0000423300000000, -0.0002179800000000, 0.0000805100000000 ] - [ 0.0000748500000000, -0.0005747500000000, -0.0001174000000000 ] - [ -0.0000310400000000, -0.0002482400000000, -0.0001223000000000 ] - [ -0.0002686100000000, -0.0003490300000000, -0.0000431000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000213400000000, 0.0001473300000000, 0.0000087400000000 ] - [ -0.0001188600000000, 0.0000125600000000, -0.0000613600000000 ] - [ -0.0001008200000000, -0.0002726400000000, -0.0000874500000000 ] - [ -0.0001023400000000, -0.0002892800000000, -0.0001122800000000 ] - [ -0.0000094900000000, 0.0001122000000000, 0.0000005500000000 ] - [ -0.0004287900000000, 0.0004612600000000, -0.0000195300000000 ] - [ -0.0000369000000000, -0.0001664800000000, -0.0000886400000000 ] - [ 0.0000138600000000, -0.0001283800000000, 0.0000619900000000 ] - [ 0.0424166200000000, -0.0658926700000000, -0.0453653200000000 ] - [ -0.0000954300000000, -0.0002035300000000, 0.0002431000000000 ] - [ 0.0001381900000000, -0.0004974300000000, -0.0002160700000000 ] - [ -0.0000534000000000, -0.0005812100000000, -0.0001251600000000 ] - [ 0.0002248200000000, 0.0000862000000000, -0.0002869800000000 ] - [ 0.0006289600000000, -0.0000965300000000, -0.0000758900000000 ] - [ -0.0001793500000000, 0.0008395400000000, 0.0002731500000000 ] - [ 0.0005321400000000, 0.0008389500000000, -0.0004337900000000 ] - [ -0.0000647600000000, -0.0002518600000000, -0.0001751900000000 ] - [ -0.0002325900000000, -0.0003095100000000, -0.0002723300000000 ] - [ -0.0015405100000000, 0.0000786100000000, 0.0001476400000000 ] - [ 0.0001093200000000, -0.0002772200000000, 0.0001036600000000 ] - [ -0.0006885600000000, -0.0000429500000000, 0.0003732100000000 ] - [ -0.0001909700000000, -0.0001133100000000, -0.0002498800000000 ] - [ -0.0001842000000000, 0.0001396500000000, -0.0002243300000000 ] - [ 0.0002195900000000, 0.0000943500000000, -0.0003827500000000 ] - [ -0.0000236900000000, 0.0001134600000000, -0.0002331300000000 ] - [ -0.0000284800000000, -0.0000040200000000, -0.0002893400000000 ] - [ -0.0000673300000000, 0.0001512400000000, 0.0002133500000000 ] - [ -0.0001095100000000, 0.0000923100000000, 0.0001304900000000 ] - [ -0.0001233500000000, -0.0001458000000000, 0.0001972700000000 ] - [ -0.0003657000000000, -0.0001840700000000, -0.0000382700000000 ] - [ -0.0003545000000000, 0.0001165500000000, -0.0003119500000000 ] - [ 0.0000651100000000, -0.0001259500000000, -0.0001800600000000 ] - [ -0.0000135500000000, -0.0001512700000000, 0.0003245600000000 ] - [ 0.0000288600000000, -0.0001192200000000, 0.0001641400000000 ] - [ -0.0001432900000000, -0.0002169700000000, -0.0003375100000000 ] - [ -0.0001119500000000, -0.0001562900000000, -0.0002198500000000 ] - [ -0.0001179300000000, 0.0000565700000000, -0.0001193700000000 ] - [ -0.0004787200000000, 0.0006094000000000, -0.0010825600000000 ] - [ 0.0000643300000000, 0.0000727300000000, 0.0001721900000000 ] - [ -0.0000726700000000, 0.0000800100000000, 0.0001745800000000 ] - [ -0.0000277300000000, 0.0001623000000000, -0.0001873800000000 ] - [ -0.0004555400000000, 0.0005634300000000, 0.0004907200000000 ] - [ -0.0001499200000000, 0.0005092100000000, 0.0000385400000000 ] - [ 0.0000065400000000, 0.0000889700000000, 0.0000118100000000 ] - [ 0.0001220000000000, -0.0005253500000000, 0.0004146900000000 ] - [ 0.0002412900000000, -0.0020865500000000, -0.0000130300000000 ] - [ -0.0000241800000000, 0.0008632000000000, 0.0004659600000000 ] - [ 0.0004470900000000, 0.0003175300000000, -0.0003282900000000 ] - [ -0.0002658000000000, 0.0002378600000000, 0.0003405700000000 ] - [ -0.0000682600000000, 0.0000371200000000, 0.0001990100000000 ] - [ 0.0000879300000000, 0.0000915100000000, -0.0002164500000000 ] - [ 0.0002515800000000, 0.0004855800000000, -0.0003734700000000 ] - [ 0.0001822300000000, -0.0000447300000000, -0.0002021900000000 ] - [ 0.0006394300000000, -0.0002317600000000, -0.0002326000000000 ] - [ -0.0003260500000000, -0.0000391300000000, 0.0001439900000000 ] - [ -0.0001890100000000, -0.0000392600000000, 0.0002570000000000 ] - [ 0.0001271100000000, 0.0000183900000000, -0.0009702300000000 ] - [ 0.0000823800000000, 0.0015900700000000, 0.0012496300000000 ] - [ -0.0015609400000000, 0.0015649600000000, 0.0001751100000000 ] - [ 0.0000731600000000, -0.0001473900000000, 0.0002803800000000 ] - [ 0.0002292000000000, 0.0006171900000000, 0.0001515600000000 ] - [ 0.0001517600000000, 0.0004116800000000, 0.0002702500000000 ] - [ -0.0002045600000000, 0.0004765500000000, -0.0002232100000000 ] - [ -0.0002798000000000, 0.0018515600000000, 0.0002016100000000 ] - [ 0.0001830300000000, 0.0007158500000000, -0.0000841500000000 ] - [ 0.0002407000000000, 0.0004655500000000, -0.0002462600000000 ] - [ -0.0001311200000000, 0.0003607600000000, 0.0002003600000000 ] - [ 0.0000856500000000, 0.0019675800000000, 0.0006791300000000 ] - [ -0.0000338100000000, -0.0002443800000000, 0.0001173600000000 ] - [ -0.0008152900000000, -0.0006615500000000, 0.0005487000000000 ] - [ -0.0058999100000000, 0.0049914400000000, 0.0042255800000000 ] - [ 0.0001341200000000, -0.0003720000000000, -0.0001546300000000 ] - [ -0.0000546400000000, 0.0004065300000000, 0.0001423000000000 ] - [ 0.0002393200000000, 0.0004641000000000, -0.0000688200000000 ] - [ 0.0001779100000000, 0.0003643600000000, -0.0000221300000000 ] - [ -0.0000465000000000, 0.0001217000000000, -0.0001166000000000 ] - [ -0.0001077100000000, -0.0001081200000000, -0.0002873300000000 ] - [ -0.0005767800000000, -0.0003090500000000, 0.0007001200000000 ] - [ 0.0000876300000000, -0.0001253300000000, 0.0000541200000000 ] - [ -0.0046071500000000, 0.0051204000000000, 0.0053900300000000 ] - [ -0.0000454300000000, 0.0006052700000000, 0.0005023300000000 ] - [ -0.0000157600000000, 0.0001981000000000, 0.0000518800000000 ] - [ 0.0001472200000000, 0.0003016400000000, -0.0000623500000000 ] - [ 0.0000929900000000, 0.0003169300000000, -0.0001039800000000 ] - [ 0.0000062100000000, -0.0002259700000000, -0.0001049000000000 ] - [ 0.0004290900000000, -0.0003107500000000, -0.0001267600000000 ] - [ 0.0000227300000000, -0.0002509400000000, 0.0001078800000000 ] - [ 0.0001752700000000, -0.0011275300000000, 0.0013560900000000 ] - [ 0.0001212800000000, -0.0002044900000000, -0.0000897400000000 ] - [ 0.0004112600000000, -0.0001078600000000, 0.0000090200000000 ] - [ -0.0000674700000000, -0.0002065100000000, 0.0000713800000000 ] - [ 0.0005659400000000, 0.0001110100000000, 0.0003604800000000 ] - [ 0.0000668000000000, 0.0005296000000000, 0.0004106900000000 ] - [ 0.0001602300000000, 0.0007018100000000, 0.0002798100000000 ] - [ 0.0001930700000000, 0.0005073400000000, -0.0001628100000000 ] - [ 0.0001727000000000, 0.0003550300000000, -0.0000046500000000 ] - [ -0.0012742400000000, -0.0002216900000000, 0.0000055200000000 ] - [ -0.0001414700000000, -0.0003512300000000, 0.0002107400000000 ] - [ 0.0004858500000000, -0.0005841500000000, -0.0003948400000000 ] - [ -0.0006558000000000, -0.0010793800000000, -0.0000284200000000 ] - [ 0.0002573600000000, 0.0003136700000000, -0.0001880700000000 ] - [ -0.0342176900000000, 0.0462024000000000, 0.0409208500000000 ] - [ 0.0001439100000000, 0.0006346300000000, 0.0003394400000000 ] - [ 0.0001054800000000, 0.0010048300000000, -0.0001510100000000 ] - [ 0.0000001800000000, -0.0000798000000000, 0.0001720800000000 ] - [ 0.0039082000000000, -0.0018752600000000, -0.0021548500000000 ] - [ -0.0001031200000000, -0.0000753100000000, 0.0002134200000000 ] - [ 0.0018171500000000, -0.0019774000000000, -0.0033151300000000 ] - [ -0.0001460900000000, -0.0004401400000000, 0.0001536000000000 ] - [ -0.0001871000000000, -0.0001851900000000, 0.0001083900000000 ] - [ 0.0012776100000000, -0.0013699000000000, -0.0001620500000000 ] - [ -0.0000118500000000, -0.0001863600000000, -0.0000375500000000 ] - [ 0.0003453400000000, -0.0003809700000000, -0.0004278500000000 ] - [ -0.0002859000000000, 0.0006820400000000, 0.0000288900000000 ] - [ -0.0006960200000000, 0.0009036200000000, 0.0001803400000000 ] - [ 0.0000834300000000, 0.0003263400000000, -0.0000474800000000 ] - [ -0.0001577300000000, -0.0000153000000000, -0.0001464000000000 ] - [ -0.0000456300000000, 0.0001276700000000, 0.0000768400000000 ] - [ 0.0000217400000000, -0.0000680700000000, -0.0001136800000000 ] - [ -0.0001761500000000, 0.0072931900000000, -0.0041054200000000 ] - [ -0.0001265200000000, 0.0002048600000000, -0.0000908100000000 ] - [ -0.0000422000000000, 0.0002145000000000, -0.0000476500000000 ] - [ 0.0002537600000000, 0.0000978700000000, -0.0000890500000000 ] - [ 0.0002869600000000, 0.0001234000000000, 0.0004280500000000 ] - [ 0.0000615700000000, -0.0000787600000000, -0.0000459000000000 ] - [ 0.0020273900000000, 0.0010509800000000, 0.0015812500000000 ] - [ -0.0000586100000000, -0.0001149000000000, -0.0000392100000000 ] - [ 0.0001060900000000, -0.0000376300000000, -0.0000503400000000 ] - [ 0.0000354600000000, -0.0000268000000000, 0.0001085100000000 ] - [ 0.0000313100000000, 0.0000149500000000, -0.0000058400000000 ] - [ -0.0001870200000000, -0.0001533700000000, 0.0000798100000000 ] - [ -0.0000960200000000, -0.0000213200000000, -0.0001767500000000 ] - [ -0.0000848700000000, -0.0001402900000000, 0.0000666500000000 ] - [ -0.0006360200000000, -0.0005154000000000, -0.0000441200000000 ] - [ -0.0000127000000000, -0.0001782400000000, -0.0000035300000000 ] - [ 0.0003631500000000, -0.0001548100000000, -0.0002142400000000 ] - [ -0.0015823400000000, -0.0014694400000000, -0.0000261300000000 ] - [ 0.0000078900000000, 0.0002580900000000, -0.0004206700000000 ] - [ 0.0002544000000000, -0.0000243100000000, 0.0007425700000000 ] - [ 0.0002307100000000, 0.0000769100000000, -0.0000904000000000 ] - [ 0.0000043600000000, -0.0003213300000000, 0.0000587200000000 ] - [ -0.0000874800000000, -0.0008510900000000, -0.0001021600000000 ] - [ 0.0000676500000000, -0.0005253400000000, -0.0000721300000000 ] - [ 0.0000512600000000, -0.0010265500000000, 0.0002003100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000196400000000, 0.0000307400000000, -0.0000107300000000 ] - [ 0.0001219500000000, 0.0001572000000000, 0.0000667600000000 ] - [ 0.0001014300000000, 0.0000948900000000, 0.0000864200000000 ] - [ 0.0001043600000000, 0.0001135000000000, 0.0001162400000000 ] - [ 0.0000086300000000, -0.0001492900000000, 0.0000005000000000 ] - [ 0.0004239900000000, -0.0004941800000000, 0.0000194600000000 ] - [ 0.0000374200000000, 0.0002084500000000, 0.0000881500000000 ] - [ -0.0000150100000000, 0.0001711300000000, -0.0000592500000000 ] - [ -0.0439121200000000, 0.0660686300000000, 0.0473069400000000 ] - [ -0.0001038900000000, 0.0001248500000000, 0.0001498300000000 ] - [ 0.0000600400000000, 0.0004189200000000, -0.0001827400000000 ] - [ 0.0002457900000000, 0.0005051700000000, -0.0002652700000000 ] - [ -0.0000232800000000, -0.0000100100000000, -0.0001075700000000 ] - [ -0.0004247200000000, 0.0001686900000000, -0.0003176600000000 ] - [ -0.0000205200000000, -0.0007581100000000, 0.0001171800000000 ] - [ -0.0007318400000000, -0.0007598500000000, 0.0008339300000000 ] - [ -0.0002000400000000, -0.0001988300000000, -0.0002300000000000 ] - [ -0.0000331500000000, -0.0001420800000000, -0.0001331800000000 ] - [ 0.0017878400000000, -0.0005171700000000, 0.0002654400000000 ] - [ 0.0001548200000000, -0.0001733100000000, 0.0003005000000000 ] - [ 0.0009389500000000, 0.0004889600000000, 0.0000311000000000 ] - [ 0.0004542500000000, 0.0005644300000000, 0.0006657900000000 ] - [ -0.0000816600000000, 0.0003099400000000, -0.0001812000000000 ] - [ -0.0004894000000000, 0.0003542900000000, -0.0000221500000000 ] - [ 0.0002460500000000, 0.0003710500000000, -0.0001612800000000 ] - [ 0.0002515000000000, 0.0004910200000000, -0.0000994200000000 ] - [ -0.0001536300000000, 0.0003342000000000, 0.0001759300000000 ] - [ -0.0001021300000000, 0.0003957400000000, 0.0002537800000000 ] - [ -0.0000997100000000, -0.0003416500000000, 0.0001927900000000 ] - [ 0.0001418000000000, -0.0003036100000000, 0.0004258500000000 ] - [ 0.0005735800000000, -0.0006037600000000, -0.0000760200000000 ] - [ 0.0001561800000000, -0.0003603200000000, -0.0002083500000000 ] - [ 0.0001566900000000, 0.0001494100000000, -0.0000326400000000 ] - [ 0.0001136600000000, 0.0001149400000000, 0.0001348100000000 ] - [ 0.0000094800000000, 0.0002121700000000, 0.0000400700000000 ] - [ -0.0000304900000000, 0.0001547200000000, -0.0000739800000000 ] - [ -0.0000231200000000, -0.0000552700000000, -0.0001752400000000 ] - [ 0.0003407700000000, -0.0006107000000000, 0.0007826600000000 ] - [ 0.0000762300000000, -0.0000719700000000, 0.0001217600000000 ] - [ 0.0002116700000000, -0.0000810600000000, 0.0001201000000000 ] - [ 0.0000280400000000, 0.0000178100000000, 0.0001856000000000 ] - [ 0.0004564300000000, -0.0003842400000000, -0.0004916400000000 ] - [ 0.0001511000000000, -0.0006850200000000, -0.0000332900000000 ] - [ -0.0000078400000000, -0.0002652700000000, -0.0000124100000000 ] - [ -0.0001190400000000, 0.0004849200000000, -0.0004063000000000 ] - [ -0.0002662700000000, 0.0020823000000000, 0.0000345000000000 ] - [ 0.0000251300000000, -0.0008135900000000, -0.0004586300000000 ] - [ -0.0004400800000000, -0.0002791200000000, 0.0003229000000000 ] - [ 0.0000662900000000, -0.0003137300000000, 0.0000527700000000 ] - [ -0.0001307300000000, -0.0001150600000000, 0.0001942700000000 ] - [ 0.0001107200000000, -0.0001688300000000, -0.0001778500000000 ] - [ -0.0000540600000000, -0.0005630800000000, -0.0000199000000000 ] - [ 0.0000153600000000, 0.0001248200000000, -0.0001907500000000 ] - [ -0.0004443100000000, 0.0003154900000000, -0.0001612500000000 ] - [ 0.0001280600000000, 0.0001200100000000, 0.0002476200000000 ] - [ -0.0000075600000000, 0.0001208600000000, 0.0001350800000000 ] - [ -0.0003924600000000, -0.0004664000000000, 0.0005707900000000 ] - [ -0.0003491500000000, -0.0020463800000000, -0.0016612200000000 ] - [ 0.0018337300000000, -0.0020239500000000, 0.0002300600000000 ] - [ 0.0001920700000000, -0.0003012900000000, 0.0001243100000000 ] - [ 0.0000372400000000, -0.0001657000000000, 0.0002543900000000 ] - [ 0.0001144500000000, 0.0000394500000000, 0.0001348100000000 ] - [ -0.0000605900000000, -0.0000251300000000, -0.0001820700000000 ] - [ 0.0000136500000000, -0.0014101900000000, -0.0006098300000000 ] - [ 0.0000382300000000, -0.0002286800000000, -0.0003035100000000 ] - [ -0.0000181800000000, 0.0000213000000000, -0.0001425700000000 ] - [ -0.0000901700000000, 0.0001258200000000, 0.0001888800000000 ] - [ -0.0003062100000000, -0.0014718700000000, -0.0002848400000000 ] - [ -0.0001844600000000, -0.0002446500000000, 0.0002713600000000 ] - [ 0.0006000900000000, 0.0001821800000000, -0.0001592600000000 ] - [ 0.0062011400000000, -0.0055369500000000, -0.0046263800000000 ] - [ 0.0000875800000000, -0.0001159900000000, -0.0002337200000000 ] - [ 0.0001954200000000, -0.0004084500000000, 0.0001547600000000 ] - [ -0.0000963000000000, -0.0004608900000000, 0.0003598600000000 ] - [ -0.0003149000000000, -0.0003665400000000, -0.0002722600000000 ] - [ -0.0000930900000000, -0.0001245900000000, -0.0001795800000000 ] - [ -0.0000337000000000, 0.0001109900000000, -0.0000098900000000 ] - [ 0.0004382900000000, 0.0003171900000000, -0.0010009100000000 ] - [ 0.0000542800000000, 0.0001265700000000, 0.0002401000000000 ] - [ 0.0047606800000000, -0.0051634900000000, -0.0051607700000000 ] - [ 0.0000030200000000, -0.0005131400000000, -0.0002920900000000 ] - [ -0.0000231300000000, -0.0000973100000000, 0.0001552400000000 ] - [ -0.0001052400000000, -0.0002011400000000, -0.0001469600000000 ] - [ -0.0000584400000000, -0.0002222800000000, -0.0001067100000000 ] - [ 0.0000379000000000, 0.0001207500000000, -0.0001076000000000 ] - [ -0.0003835800000000, 0.0002100400000000, -0.0000840100000000 ] - [ -0.0000648300000000, 0.0001472000000000, 0.0001052900000000 ] - [ -0.0002153100000000, 0.0010221000000000, -0.0011354100000000 ] - [ 0.0001564600000000, -0.0000497400000000, -0.0000595200000000 ] - [ -0.0001368300000000, -0.0001420800000000, -0.0001641600000000 ] - [ -0.0002078200000000, -0.0000481000000000, 0.0000779300000000 ] - [ -0.0008394700000000, -0.0003482200000000, -0.0002173800000000 ] - [ -0.0003418900000000, -0.0002619600000000, -0.0002483100000000 ] - [ -0.0004350300000000, -0.0004519500000000, -0.0001364100000000 ] - [ 0.0000789200000000, -0.0002493400000000, 0.0000191000000000 ] - [ 0.0001040400000000, -0.0001006300000000, -0.0001467300000000 ] - [ 0.0012221700000000, 0.0003330000000000, 0.0002047900000000 ] - [ 0.0000964600000000, 0.0004533400000000, 0.0000033500000000 ] - [ -0.0004419700000000, 0.0006899200000000, 0.0001821500000000 ] - [ 0.0006932700000000, 0.0011768200000000, -0.0001862000000000 ] - [ -0.0002107900000000, -0.0004184700000000, -0.0000268300000000 ] - [ 0.0354371500000000, -0.0468909400000000, -0.0424480500000000 ] - [ -0.0001906400000000, -0.0007380900000000, -0.0001182300000000 ] - [ -0.0001380100000000, -0.0011346000000000, 0.0003520300000000 ] - [ 0.0002693700000000, -0.0001790700000000, -0.0003194900000000 ] - [ -0.0036400300000000, 0.0016222000000000, 0.0020017800000000 ] - [ -0.0001746800000000, -0.0001773000000000, -0.0000639600000000 ] - [ -0.0020840500000000, 0.0017213200000000, 0.0034784900000000 ] - [ -0.0001352200000000, 0.0006944200000000, -0.0000083600000000 ] - [ -0.0000912100000000, 0.0004391300000000, 0.0000411300000000 ] - [ -0.0009971500000000, 0.0016226400000000, 0.0000056400000000 ] - [ 0.0002845800000000, 0.0004397300000000, -0.0001101100000000 ] - [ -0.0003656400000000, 0.0006634500000000, 0.0003841800000000 ] - [ 0.0002567000000000, -0.0003967400000000, -0.0000754000000000 ] - [ 0.0007355300000000, -0.0006146300000000, -0.0001367400000000 ] - [ -0.0000547200000000, -0.0000427600000000, 0.0000903600000000 ] - [ 0.0001848300000000, -0.0002651700000000, 0.0001905400000000 ] - [ 0.0000733300000000, -0.0004065600000000, -0.0000327500000000 ] - [ -0.0000506900000000, -0.0002138000000000, 0.0000688300000000 ] - [ 0.0001567900000000, -0.0072010000000000, 0.0038534400000000 ] - [ 0.0000376800000000, 0.0002098000000000, -0.0000282800000000 ] - [ -0.0000460500000000, 0.0001991500000000, -0.0000720300000000 ] - [ -0.0001648000000000, 0.0003154400000000, 0.0002100000000000 ] - [ -0.0001973200000000, 0.0002921800000000, -0.0003055200000000 ] - [ 0.0000269400000000, -0.0003327500000000, 0.0001645700000000 ] - [ -0.0019148600000000, -0.0014430300000000, -0.0014484300000000 ] - [ -0.0000287600000000, -0.0002973400000000, -0.0000798800000000 ] - [ -0.0001946800000000, -0.0003737400000000, -0.0000692800000000 ] - [ -0.0000660400000000, 0.0003089200000000, -0.0001537100000000 ] - [ -0.0000602700000000, 0.0002665900000000, -0.0000376000000000 ] - [ 0.0002186100000000, 0.0004344900000000, -0.0000362800000000 ] - [ 0.0001264700000000, 0.0003030200000000, 0.0002220300000000 ] - [ 0.0001154400000000, -0.0001435600000000, -0.0000220600000000 ] - [ 0.0006670000000000, 0.0002309800000000, 0.0000887600000000 ] - [ -0.0000175900000000, -0.0001050300000000, -0.0000413400000000 ] - [ -0.0003942800000000, -0.0001302900000000, 0.0001709200000000 ] - [ 0.0015018100000000, 0.0018644100000000, -0.0000910700000000 ] - [ -0.0000956600000000, 0.0001537900000000, 0.0003010500000000 ] - [ -0.0001676800000000, 0.0004359900000000, -0.0006255000000000 ] - [ -0.0001438800000000, 0.0003349500000000, 0.0002096900000000 ] - [ 0.0000829200000000, -0.0000916600000000, 0.0000602700000000 ] - [ 0.0001733400000000, 0.0004395700000000, 0.0002234400000000 ] - [ -0.0001546500000000, 0.0001123100000000, -0.0000478800000000 ] - [ -0.0001387000000000, 0.0006122600000000, -0.0003172000000000 ]- atom: 9 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ -0.0000000300000000, 0.0001075000000000, 0.0000531700000000 ] - [ -0.0002221200000000, 0.0002420200000000, -0.0003825700000000 ] - [ -0.0002359100000000, -0.0000434700000000, -0.0001420300000000 ] - [ 0.0001551400000000, 0.0000330300000000, 0.0001185600000000 ] - [ -0.0000253600000000, 0.0000185500000000, 0.0000975000000000 ] - [ 0.0000330500000000, 0.0000366500000000, -0.0001362200000000 ] - [ -0.0002280900000000, -0.0001620900000000, -0.0000245700000000 ] - [ 0.0000529600000000, -0.0001229800000000, -0.0000532600000000 ] - [ 0.0587363100000000, -0.0549511200000000, -0.0818153400000000 ] - [ -0.0001574500000000, 0.0000043000000000, 0.0003888100000000 ] - [ 0.0006566600000000, -0.0000112500000000, 0.0003660100000000 ] - [ -0.0017212800000000, -0.0001434400000000, 0.0009423600000000 ] - [ 0.0000909000000000, -0.0000797200000000, -0.0001316100000000 ] - [ 0.0001864900000000, 0.0000169500000000, -0.0003661800000000 ] - [ 0.0000222800000000, 0.0008072600000000, 0.0002501100000000 ] - [ -0.0000196800000000, -0.0000588000000000, 0.0002420900000000 ] - [ -0.0001323300000000, -0.0002097500000000, -0.0002025000000000 ] - [ -0.0003997200000000, -0.0003114400000000, -0.0003473400000000 ] - [ -0.0007898600000000, 0.0009931000000000, -0.0015456200000000 ] - [ 0.0001475000000000, -0.0002337900000000, 0.0003444400000000 ] - [ -0.0007732400000000, 0.0001480300000000, 0.0005965200000000 ] - [ 0.0009060000000000, 0.0005079200000000, 0.0005370100000000 ] - [ -0.0002163700000000, 0.0002121900000000, -0.0000202800000000 ] - [ -0.0002026600000000, 0.0002890000000000, -0.0004963900000000 ] - [ -0.0001527200000000, 0.0001509000000000, -0.0001369700000000 ] - [ -0.0000767900000000, 0.0001086700000000, -0.0002330600000000 ] - [ -0.0000592900000000, 0.0002356500000000, 0.0002600300000000 ] - [ -0.0002843100000000, 0.0002468600000000, 0.0000734100000000 ] - [ -0.0001597200000000, -0.0002170300000000, 0.0002491500000000 ] - [ -0.0000889400000000, -0.0001640300000000, 0.0000096000000000 ] - [ -0.0004065000000000, 0.0003074800000000, -0.0007513400000000 ] - [ 0.0001209600000000, -0.0002107100000000, -0.0001112500000000 ] - [ -0.0001019700000000, 0.0000075000000000, 0.0001144600000000 ] - [ -0.0000123100000000, -0.0000124800000000, 0.0000691100000000 ] - [ -0.0005213900000000, 0.0002313600000000, -0.0004506700000000 ] - [ 0.0000590800000000, 0.0000648000000000, -0.0000131500000000 ] - [ -0.0000924100000000, -0.0000139000000000, -0.0000437600000000 ] - [ -0.0000248600000000, 0.0000825800000000, -0.0002835900000000 ] - [ 0.0000652300000000, 0.0000319200000000, 0.0002159900000000 ] - [ -0.0000900100000000, 0.0000769700000000, 0.0000271300000000 ] - [ 0.0000178100000000, -0.0001285400000000, 0.0003007600000000 ] - [ -0.0004698800000000, 0.0002712100000000, -0.0002348100000000 ] - [ 0.0000809700000000, -0.0000466800000000, -0.0000149900000000 ] - [ -0.0000312000000000, -0.0000510800000000, 0.0000412200000000 ] - [ 0.0000354800000000, -0.0002723300000000, 0.0007008600000000 ] - [ -0.0063582100000000, 0.0046572500000000, 0.0052239200000000 ] - [ -0.0000773300000000, 0.0004617700000000, -0.0006135200000000 ] - [ -0.0000679900000000, 0.0000126100000000, 0.0001423500000000 ] - [ -0.0003268300000000, 0.0001449000000000, 0.0000946800000000 ] - [ -0.0000519600000000, -0.0000461300000000, 0.0002284600000000 ] - [ 0.0000515700000000, -0.0000237000000000, -0.0001353500000000 ] - [ 0.0001692300000000, 0.0001694900000000, -0.0003301400000000 ] - [ 0.0001896000000000, 0.0000106800000000, -0.0001125800000000 ] - [ -0.0000118600000000, -0.0001367700000000, -0.0002856100000000 ] - [ -0.0002165000000000, -0.0000415200000000, 0.0002078000000000 ] - [ -0.0001799400000000, 0.0000308200000000, 0.0002181800000000 ] - [ -0.0002535700000000, -0.0002974900000000, -0.0000503500000000 ] - [ -0.0000041200000000, 0.0008755700000000, 0.0006188500000000 ] - [ -0.0002852800000000, 0.0001533400000000, -0.0000599000000000 ] - [ 0.0001538200000000, -0.0002413300000000, 0.0003941400000000 ] - [ 0.0002161900000000, 0.0003290600000000, 0.0002202100000000 ] - [ 0.0000611200000000, 0.0002880800000000, 0.0002237000000000 ] - [ -0.0001739100000000, 0.0003054800000000, -0.0000443100000000 ] - [ -0.0001055600000000, -0.0003235400000000, -0.0006692600000000 ] - [ 0.0002086000000000, 0.0004451300000000, -0.0001391100000000 ] - [ 0.0000877300000000, 0.0001945300000000, -0.0001332100000000 ] - [ -0.0001216700000000, 0.0002557900000000, 0.0002712800000000 ] - [ -0.0001913800000000, -0.0001535900000000, -0.0001154000000000 ] - [ -0.0005189300000000, -0.0002641700000000, 0.0004220300000000 ] - [ -0.0002998500000000, 0.0002049300000000, 0.0004423000000000 ] - [ -0.0011966300000000, 0.0011789300000000, -0.0009970800000000 ] - [ 0.0000901000000000, -0.0002776600000000, -0.0000213900000000 ] - [ 0.0001273900000000, 0.0001519900000000, -0.0000177200000000 ] - [ 0.0000562000000000, 0.0000051400000000, 0.0001595600000000 ] - [ 0.0001557900000000, 0.0001535400000000, -0.0002382200000000 ] - [ -0.0001119700000000, 0.0000277800000000, -0.0000710900000000 ] - [ 0.0000470400000000, -0.0001459000000000, 0.0000595900000000 ] - [ -0.0002361800000000, 0.0005891900000000, -0.0003277000000000 ] - [ -0.0000813300000000, 0.0000347800000000, 0.0004287700000000 ] - [ -0.0030410000000000, 0.0042811800000000, 0.0033768900000000 ] - [ 0.0003251500000000, 0.0004415000000000, 0.0005488500000000 ] - [ -0.0001912900000000, 0.0000333800000000, 0.0000134600000000 ] - [ 0.0002959700000000, 0.0001215500000000, -0.0000004800000000 ] - [ 0.0002542000000000, 0.0002346800000000, -0.0001291300000000 ] - [ -0.0000323600000000, -0.0000513200000000, -0.0001622300000000 ] - [ 0.0002823700000000, -0.0003371500000000, 0.0003573000000000 ] - [ 0.0000623800000000, -0.0001077200000000, -0.0000125100000000 ] - [ -0.0000802100000000, -0.0001980500000000, 0.0003617200000000 ] - [ 0.0001796100000000, -0.0001541200000000, -0.0001621500000000 ] - [ 0.0004899000000000, -0.0002224200000000, 0.0004642500000000 ] - [ -0.0001397700000000, -0.0001111600000000, -0.0000788400000000 ] - [ -0.0001120400000000, -0.0004442900000000, 0.0014720400000000 ] - [ 0.0002171800000000, -0.0001395500000000, 0.0000658300000000 ] - [ -0.0005621900000000, -0.0003462200000000, 0.0000241900000000 ] - [ 0.0004623100000000, 0.0000825800000000, 0.0001259200000000 ] - [ 0.0000655400000000, 0.0000234700000000, -0.0001390200000000 ] - [ -0.0002220100000000, -0.0001535300000000, 0.0008441300000000 ] - [ -0.0000011300000000, 0.0001031300000000, 0.0000217400000000 ] - [ 0.0000323900000000, -0.0001542800000000, 0.0000554800000000 ] - [ 0.0001256800000000, 0.0000897100000000, -0.0002489900000000 ] - [ 0.0002420800000000, 0.0000834500000000, -0.0005236600000000 ] - [ -0.0503421500000000, 0.0498740200000000, 0.0639440200000000 ] - [ -0.0002611000000000, -0.0000378900000000, -0.0004419900000000 ] - [ 0.0017997200000000, -0.0038697300000000, -0.0013571000000000 ] - [ 0.0007466500000000, 0.0001974300000000, -0.0003449800000000 ] - [ 0.0026689300000000, -0.0014533400000000, -0.0011852100000000 ] - [ -0.0001256100000000, -0.0001588700000000, -0.0002438800000000 ] - [ 0.0001494400000000, -0.0003267200000000, 0.0001708300000000 ] - [ -0.0002866600000000, -0.0000506700000000, 0.0001088500000000 ] - [ -0.0000408300000000, 0.0000745800000000, 0.0000098400000000 ] - [ -0.0002968200000000, 0.0002573900000000, 0.0001306300000000 ] - [ 0.0001954300000000, 0.0000549700000000, -0.0002257500000000 ] - [ -0.0003669700000000, 0.0002961600000000, 0.0013909900000000 ] - [ -0.0002819200000000, 0.0004566400000000, -0.0005698400000000 ] - [ -0.0005159500000000, 0.0002235400000000, 0.0010436500000000 ] - [ 0.0001819500000000, 0.0003447900000000, -0.0002889200000000 ] - [ -0.0000693700000000, -0.0002874100000000, -0.0001357200000000 ] - [ 0.0002333400000000, 0.0004421600000000, 0.0000689000000000 ] - [ 0.0000088300000000, -0.0001400000000000, -0.0002394000000000 ] - [ -0.0014103200000000, -0.0069053800000000, 0.0048823500000000 ] - [ 0.0000719900000000, 0.0002438000000000, 0.0000057500000000 ] - [ -0.0000383800000000, 0.0002351000000000, -0.0000931800000000 ] - [ 0.0002158600000000, 0.0000662700000000, -0.0000990300000000 ] - [ -0.0000378800000000, 0.0002897800000000, 0.0000081100000000 ] - [ 0.0000777400000000, -0.0001844700000000, -0.0001974400000000 ] - [ 0.0041881800000000, 0.0007566100000000, 0.0034251600000000 ] - [ -0.0002074500000000, -0.0002199600000000, -0.0001165700000000 ] - [ 0.0004915900000000, -0.0001929900000000, 0.0002422100000000 ] - [ -0.0000003800000000, 0.0001293400000000, 0.0000004900000000 ] - [ 0.0000221700000000, 0.0001030100000000, -0.0000579700000000 ] - [ 0.0000499000000000, 0.0001295200000000, 0.0000580900000000 ] - [ -0.0000579900000000, 0.0001076200000000, -0.0001301700000000 ] - [ 0.0000877500000000, -0.0001151400000000, -0.0000883900000000 ] - [ -0.0005211500000000, -0.0003308600000000, 0.0001420900000000 ] - [ -0.0000530600000000, -0.0001250700000000, -0.0000734000000000 ] - [ 0.0001910400000000, -0.0001839800000000, 0.0000711400000000 ] - [ 0.0001732100000000, 0.0014646100000000, 0.0008390300000000 ] - [ -0.0000225900000000, 0.0002427900000000, -0.0004361000000000 ] - [ -0.0000084200000000, 0.0002111100000000, 0.0003402600000000 ] - [ 0.0002627200000000, 0.0000021200000000, -0.0000742200000000 ] - [ 0.0000016100000000, -0.0001924700000000, -0.0000076600000000 ] - [ 0.0001617900000000, -0.0003258800000000, 0.0001561100000000 ] - [ 0.0000189600000000, -0.0002381200000000, -0.0001592000000000 ] - [ -0.0001203200000000, -0.0004560100000000, 0.0001982000000000 ]- atom: 9 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ 0.0000016900000000, 0.0000696100000000, -0.0000525900000000 ] - [ 0.0002233500000000, -0.0000663300000000, 0.0003829000000000 ] - [ 0.0002348300000000, -0.0001329600000000, 0.0001417200000000 ] - [ -0.0001552800000000, -0.0002138700000000, -0.0001171600000000 ] - [ 0.0000261200000000, -0.0000559100000000, -0.0000977200000000 ] - [ -0.0000320200000000, -0.0000758300000000, 0.0001378300000000 ] - [ 0.0002255300000000, 0.0001999600000000, 0.0000230700000000 ] - [ -0.0000538800000000, 0.0001638300000000, 0.0000544000000000 ] - [ -0.0610104800000000, 0.0571365800000000, 0.0839892000000000 ] - [ -0.0000424800000000, -0.0000808600000000, 0.0000031900000000 ] - [ -0.0004514000000000, -0.0000639600000000, -0.0007551300000000 ] - [ 0.0019520500000000, 0.0000713700000000, -0.0013603300000000 ] - [ 0.0001085600000000, 0.0001579700000000, -0.0002630800000000 ] - [ 0.0000085800000000, 0.0000608000000000, -0.0000286600000000 ] - [ -0.0002218600000000, -0.0007472800000000, 0.0001438100000000 ] - [ -0.0001864900000000, 0.0001303800000000, 0.0001595200000000 ] - [ -0.0001347200000000, -0.0002417800000000, -0.0002045500000000 ] - [ 0.0001356400000000, -0.0001385600000000, -0.0000576100000000 ] - [ 0.0010570800000000, -0.0014489900000000, 0.0019155800000000 ] - [ 0.0001167700000000, -0.0002151100000000, 0.0000598500000000 ] - [ 0.0010538500000000, 0.0003033900000000, -0.0001919600000000 ] - [ -0.0006472100000000, -0.0000571400000000, -0.0001370300000000 ] - [ -0.0000474500000000, 0.0002374300000000, -0.0003852700000000 ] - [ -0.0000654400000000, 0.0001587300000000, 0.0000965700000000 ] - [ 0.0003718600000000, 0.0003360400000000, -0.0002499400000000 ] - [ 0.0003025200000000, 0.0003807900000000, -0.0001551200000000 ] - [ -0.0001630300000000, 0.0002514200000000, 0.0001300200000000 ] - [ 0.0000738200000000, 0.0002427400000000, 0.0003105000000000 ] - [ -0.0000603500000000, -0.0002681800000000, 0.0001396100000000 ] - [ -0.0001320000000000, -0.0003236600000000, 0.0003812400000000 ] - [ 0.0006204300000000, -0.0007858700000000, 0.0003534400000000 ] - [ 0.0001023200000000, -0.0002766100000000, -0.0002776900000000 ] - [ 0.0002461200000000, -0.0000071700000000, 0.0001751900000000 ] - [ 0.0001565800000000, 0.0000114900000000, 0.0002274600000000 ] - [ 0.0003692400000000, -0.0002324300000000, 0.0001540200000000 ] - [ -0.0002025900000000, -0.0000651000000000, -0.0002805000000000 ] - [ -0.0000481200000000, 0.0000152500000000, -0.0002512900000000 ] - [ -0.0001114700000000, -0.0000825800000000, -0.0000080100000000 ] - [ 0.0000747400000000, -0.0000302200000000, 0.0000791400000000 ] - [ 0.0002335000000000, -0.0000758800000000, 0.0002679100000000 ] - [ -0.0000192500000000, 0.0003036300000000, -0.0002995800000000 ] - [ 0.0004771800000000, -0.0000960600000000, 0.0002394500000000 ] - [ -0.0000833100000000, -0.0001339800000000, 0.0000112800000000 ] - [ 0.0000289300000000, -0.0001279800000000, -0.0000421600000000 ] - [ -0.0000370200000000, 0.0002350500000000, -0.0007070800000000 ] - [ 0.0065145400000000, -0.0047406100000000, -0.0053491600000000 ] - [ 0.0000797700000000, -0.0004213200000000, 0.0006075500000000 ] - [ 0.0000639500000000, 0.0000212200000000, -0.0001407000000000 ] - [ 0.0001247700000000, -0.0002205000000000, 0.0002987500000000 ] - [ -0.0001479000000000, -0.0000315500000000, 0.0001657600000000 ] - [ 0.0001486800000000, -0.0000539000000000, -0.0002596500000000 ] - [ 0.0000314600000000, -0.0002488600000000, -0.0000654500000000 ] - [ 0.0000084100000000, 0.0000676300000000, -0.0002818600000000 ] - [ 0.0002099800000000, 0.0002178700000000, -0.0001092200000000 ] - [ 0.0000194700000000, 0.0001203500000000, 0.0001861600000000 ] - [ -0.0000173800000000, 0.0000489800000000, 0.0001750500000000 ] - [ -0.0000121600000000, -0.0001540800000000, -0.0003548700000000 ] - [ -0.0002671400000000, -0.0013458900000000, -0.0010438100000000 ] - [ 0.0005540300000000, -0.0006067400000000, 0.0004678100000000 ] - [ 0.0001132100000000, -0.0002100600000000, 0.0000119000000000 ] - [ 0.0000484600000000, 0.0001185500000000, 0.0001856200000000 ] - [ 0.0002049100000000, 0.0001614400000000, 0.0001831200000000 ] - [ -0.0000903500000000, 0.0001411700000000, -0.0003607000000000 ] - [ -0.0001586900000000, 0.0007740900000000, 0.0002653900000000 ] - [ 0.0000116300000000, 0.0000398900000000, -0.0002483400000000 ] - [ 0.0001318400000000, 0.0002895500000000, -0.0002544200000000 ] - [ -0.0001012500000000, 0.0002312300000000, 0.0001187100000000 ] - [ -0.0000331000000000, 0.0006278200000000, 0.0004999000000000 ] - [ 0.0002916900000000, -0.0002236700000000, -0.0000240100000000 ] - [ 0.0000794000000000, -0.0006957700000000, -0.0000558300000000 ] - [ 0.0014370800000000, -0.0016856300000000, 0.0006351300000000 ] - [ 0.0001312000000000, -0.0002056700000000, -0.0003679200000000 ] - [ 0.0000124700000000, -0.0001546400000000, 0.0003118900000000 ] - [ 0.0000839900000000, -0.0000089500000000, 0.0001364000000000 ] - [ -0.0002966500000000, -0.0001549800000000, -0.0000579100000000 ] - [ -0.0000273600000000, -0.0000305400000000, -0.0002238400000000 ] - [ -0.0001876000000000, 0.0001487200000000, -0.0003535000000000 ] - [ 0.0000996700000000, -0.0005973500000000, 0.0000374800000000 ] - [ 0.0002220200000000, -0.0000320800000000, -0.0001332400000000 ] - [ 0.0032078800000000, -0.0043882300000000, -0.0031622900000000 ] - [ -0.0003674500000000, -0.0003421700000000, -0.0003260400000000 ] - [ 0.0001505600000000, 0.0000692000000000, 0.0001965700000000 ] - [ -0.0002535200000000, -0.0000227700000000, -0.0002089600000000 ] - [ -0.0002177700000000, -0.0001376900000000, -0.0000836400000000 ] - [ 0.0000761600000000, -0.0000519000000000, -0.0000498900000000 ] - [ -0.0002402800000000, 0.0002323300000000, -0.0005617700000000 ] - [ -0.0001062200000000, 0.0000064100000000, 0.0002250100000000 ] - [ 0.0000392100000000, 0.0001004500000000, -0.0001569400000000 ] - [ 0.0000955800000000, -0.0001001300000000, 0.0000123700000000 ] - [ -0.0002174100000000, -0.0000332100000000, -0.0006186600000000 ] - [ -0.0001365300000000, -0.0001425100000000, 0.0002297000000000 ] - [ -0.0001720500000000, 0.0001971000000000, -0.0013074100000000 ] - [ -0.0004985400000000, 0.0003800300000000, 0.0000756400000000 ] - [ 0.0002893600000000, 0.0006031900000000, 0.0001219900000000 ] - [ -0.0001936500000000, 0.0001770500000000, -0.0002731100000000 ] - [ 0.0002093800000000, 0.0002299300000000, -0.0000119500000000 ] - [ 0.0001843400000000, 0.0002580400000000, -0.0006221300000000 ] - [ -0.0000408200000000, 0.0000038900000000, 0.0001903300000000 ] - [ 0.0000171700000000, 0.0002636700000000, -0.0002737500000000 ] - [ -0.0000778100000000, 0.0000210700000000, 0.0000375300000000 ] - [ -0.0002014900000000, -0.0001901500000000, 0.0003132200000000 ] - [ 0.0523130900000000, -0.0522290200000000, -0.0658405100000000 ] - [ 0.0002199000000000, -0.0000703900000000, 0.0006506200000000 ] - [ -0.0018534800000000, 0.0038151100000000, 0.0015838800000000 ] - [ -0.0004619000000000, -0.0004491000000000, 0.0001974200000000 ] - [ -0.0024232900000000, 0.0012104000000000, 0.0010482800000000 ] - [ -0.0001504700000000, -0.0000937200000000, 0.0003920900000000 ] - [ -0.0004299800000000, 0.0000794500000000, -0.0000295900000000 ] - [ 0.0000120100000000, 0.0003047700000000, 0.0000414200000000 ] - [ -0.0002333600000000, 0.0001809200000000, 0.0001405400000000 ] - [ 0.0005683700000000, 0.0000026500000000, -0.0002761900000000 ] - [ 0.0000798300000000, 0.0002003300000000, 0.0000745800000000 ] - [ 0.0002984400000000, 0.0000277700000000, -0.0013814200000000 ] - [ 0.0002575500000000, -0.0001815800000000, 0.0005332800000000 ] - [ 0.0005535100000000, 0.0000586400000000, -0.0010073600000000 ] - [ -0.0001527700000000, -0.0000634800000000, 0.0003382800000000 ] - [ 0.0001001100000000, 0.0000029000000000, 0.0001797300000000 ] - [ -0.0002056400000000, -0.0007326300000000, -0.0000252300000000 ] - [ -0.0000388100000000, -0.0001436000000000, 0.0001978000000000 ] - [ 0.0013835800000000, 0.0067309100000000, -0.0049179400000000 ] - [ -0.0001591700000000, 0.0001696000000000, -0.0001247500000000 ] - [ -0.0000504300000000, 0.0001766700000000, -0.0000260300000000 ] - [ -0.0001307400000000, 0.0003484200000000, 0.0002169200000000 ] - [ 0.0001242600000000, 0.0001229600000000, 0.0001095900000000 ] - [ 0.0000108000000000, -0.0002289000000000, 0.0003186800000000 ] - [ -0.0041004400000000, -0.0011728400000000, -0.0032518400000000 ] - [ 0.0001175200000000, -0.0001928600000000, -0.0000020600000000 ] - [ -0.0005865700000000, -0.0002179600000000, -0.0003666200000000 ] - [ -0.0000288600000000, 0.0001538700000000, -0.0000454400000000 ] - [ -0.0000517500000000, 0.0001802900000000, 0.0000139300000000 ] - [ -0.0000211700000000, 0.0001525200000000, -0.0000131800000000 ] - [ 0.0000891000000000, 0.0001769400000000, 0.0001767100000000 ] - [ -0.0000582600000000, -0.0001671800000000, 0.0001329200000000 ] - [ 0.0005572200000000, 0.0000515900000000, -0.0000975800000000 ] - [ 0.0000229200000000, -0.0001571600000000, 0.0000291000000000 ] - [ -0.0002231900000000, -0.0000991500000000, -0.0001147500000000 ] - [ -0.0002608000000000, -0.0010478800000000, -0.0009594300000000 ] - [ -0.0000654600000000, 0.0001697100000000, 0.0003199000000000 ] - [ 0.0000939000000000, 0.0002038900000000, -0.0002221700000000 ] - [ -0.0001773300000000, 0.0004123700000000, 0.0001944900000000 ] - [ 0.0000865100000000, -0.0002188600000000, 0.0001271800000000 ] - [ -0.0000725500000000, -0.0000842400000000, -0.0000367000000000 ] - [ -0.0001079100000000, -0.0001720600000000, 0.0000402600000000 ] - [ 0.0000310800000000, 0.0000484100000000, -0.0003212300000000 ]- atom: 17 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ 0.0046105700000000, 0.0043902500000000, 0.0054269200000000 ] - [ 0.0000316300000000, -0.0000176700000000, -0.0000618500000000 ] - [ 0.0008074600000000, -0.0009593300000000, -0.0003272200000000 ] - [ -0.0001434900000000, -0.0000483000000000, -0.0001120200000000 ] - [ -0.0002775300000000, 0.0003624900000000, 0.0005985600000000 ] - [ 0.0000680100000000, -0.0000113400000000, -0.0000835200000000 ] - [ -0.0000599400000000, 0.0000639700000000, -0.0000610400000000 ] - [ -0.0000766500000000, 0.0000898000000000, 0.0000038400000000 ] - [ 0.0001027600000000, 0.0000286500000000, 0.0002536000000000 ] - [ 0.0003177000000000, -0.0001367200000000, 0.0000366900000000 ] - [ 0.0003617500000000, 0.0016159400000000, -0.0010307800000000 ] - [ 0.0000755000000000, -0.0000170100000000, -0.0001944400000000 ] - [ 0.0009379700000000, -0.0007785200000000, -0.0009288400000000 ] - [ -0.0005601100000000, -0.0002684900000000, 0.0004149400000000 ] - [ 0.0014000200000000, -0.0003205700000000, 0.0005433900000000 ] - [ 0.0001706700000000, 0.0000883800000000, 0.0001793800000000 ] - [ -0.0613772300000000, -0.0386789000000000, -0.0381652100000000 ] - [ -0.0002802900000000, -0.0003536400000000, -0.0003160400000000 ] - [ 0.0003718300000000, -0.0003478200000000, 0.0001064500000000 ] - [ 0.0018007100000000, -0.0004412900000000, 0.0014527800000000 ] - [ 0.0005201800000000, 0.0001269800000000, 0.0001864800000000 ] - [ 0.0001416500000000, 0.0001503200000000, 0.0002178200000000 ] - [ -0.0003773800000000, 0.0003883400000000, -0.0004716600000000 ] - [ -0.0003701500000000, -0.0001662400000000, -0.0001560800000000 ] - [ -0.0001110400000000, 0.0001726500000000, -0.0001692400000000 ] - [ 0.0000604200000000, 0.0002306700000000, -0.0001845700000000 ] - [ -0.0003592100000000, 0.0003879000000000, 0.0000762300000000 ] - [ -0.0001771000000000, 0.0000741000000000, 0.0000823500000000 ] - [ 0.0045946300000000, 0.0051792800000000, 0.0051644600000000 ] - [ -0.0000342300000000, -0.0002583900000000, 0.0000886200000000 ] - [ 0.0003544600000000, -0.0003033800000000, -0.0002241400000000 ] - [ -0.0001909400000000, 0.0004481200000000, 0.0001603200000000 ] - [ -0.0003093900000000, 0.0001012900000000, 0.0001587100000000 ] - [ -0.0000896000000000, 0.0001194100000000, 0.0000169700000000 ] - [ 0.0001111400000000, -0.0002379600000000, -0.0001605800000000 ] - [ -0.0001630600000000, 0.0000344700000000, -0.0000895900000000 ] - [ 0.0003636900000000, 0.0003103600000000, 0.0001463000000000 ] - [ -0.0000021200000000, -0.0000037900000000, -0.0001631700000000 ] - [ -0.0018558700000000, -0.0001971000000000, 0.0003087800000000 ] - [ 0.0003855000000000, 0.0000086800000000, -0.0005047900000000 ] - [ 0.0000915400000000, 0.0002209000000000, 0.0000250100000000 ] - [ 0.0000043900000000, 0.0001416900000000, 0.0000561100000000 ] - [ 0.0001124300000000, -0.0002842500000000, 0.0001455400000000 ] - [ 0.0001121000000000, -0.0001478800000000, 0.0000363700000000 ] - [ 0.0004040600000000, 0.0002365300000000, -0.0004852100000000 ] - [ 0.0000771200000000, 0.0001989700000000, 0.0005917800000000 ] - [ 0.0003435000000000, -0.0003556000000000, 0.0003170300000000 ] - [ 0.0004956800000000, -0.0002126300000000, -0.0002624800000000 ] - [ -0.0001623000000000, 0.0002430300000000, 0.0000519200000000 ] - [ -0.0005277200000000, 0.0001353400000000, 0.0001920600000000 ] - [ 0.0019186100000000, 0.0016611100000000, -0.0001322600000000 ] - [ 0.0001667500000000, 0.0000231400000000, -0.0001632700000000 ] - [ 0.0000446700000000, 0.0001365200000000, -0.0001257900000000 ] - [ 0.0001905500000000, 0.0000549200000000, -0.0002469200000000 ] - [ -0.0002393700000000, 0.0002014400000000, 0.0002019000000000 ] - [ -0.0001225100000000, 0.0001091100000000, 0.0001450000000000 ] - [ 0.0001456700000000, -0.0000519200000000, -0.0001102300000000 ] - [ -0.0000610400000000, -0.0001939700000000, -0.0001552900000000 ] - [ 0.0000214100000000, -0.0001627400000000, 0.0002069500000000 ] - [ 0.0000582200000000, -0.0001648700000000, 0.0001102600000000 ] - [ -0.0001605600000000, 0.0001299700000000, 0.0001221600000000 ] - [ 0.0000211900000000, 0.0001155700000000, 0.0000389400000000 ] - [ 0.0000650200000000, 0.0001953700000000, -0.0001282000000000 ] - [ 0.0000649900000000, 0.0001682700000000, -0.0001383700000000 ] - [ -0.0000022100000000, -0.0002358500000000, -0.0000657900000000 ] - [ 0.0001776600000000, 0.0002276800000000, -0.0002315300000000 ] - [ 0.0000999100000000, 0.0000876600000000, 0.0001559600000000 ] - [ -0.0000805800000000, 0.0000377500000000, 0.0003417100000000 ] - [ 0.0003480900000000, 0.0002870200000000, -0.0000005900000000 ] - [ -0.0000988800000000, -0.0001712600000000, 0.0002633400000000 ] - [ 0.0000926400000000, -0.0000806800000000, -0.0001521200000000 ] - [ 0.0001688400000000, -0.0000775100000000, -0.0003394100000000 ] - [ 0.0002428100000000, -0.0002231500000000, 0.0001970000000000 ] - [ 0.0002061000000000, -0.0000488700000000, 0.0001741100000000 ] - [ -0.0000125200000000, -0.0006299900000000, 0.0000113200000000 ] - [ 0.0002699400000000, -0.0005005800000000, -0.0005082000000000 ] - [ -0.0000596300000000, 0.0001821200000000, -0.0002489600000000 ] - [ -0.0001108400000000, 0.0000493900000000, -0.0001472100000000 ] - [ 0.0003393600000000, 0.0002431000000000, 0.0001345300000000 ] - [ 0.0001136000000000, 0.0000649100000000, 0.0002038200000000 ] - [ -0.0000141000000000, 0.0001839500000000, 0.0001755200000000 ] - [ 0.0002149800000000, -0.0000556900000000, 0.0000958500000000 ] - [ 0.0002808300000000, -0.0000062600000000, 0.0001821900000000 ] - [ 0.0001750700000000, -0.0000415600000000, -0.0000189800000000 ] - [ 0.0007885200000000, -0.0002248800000000, -0.0002165500000000 ] - [ -0.0002223400000000, -0.0004113800000000, 0.0000065500000000 ] - [ -0.0018854000000000, -0.0017846600000000, -0.0034253600000000 ] - [ -0.0000807600000000, -0.0000498300000000, 0.0001256200000000 ] - [ 0.0429881400000000, 0.0319353500000000, 0.0352688000000000 ] - [ 0.0000200000000000, 0.0003272900000000, 0.0002283500000000 ] - [ -0.0020511100000000, -0.0037247100000000, -0.0017083700000000 ] - [ -0.0004085400000000, 0.0001365900000000, 0.0001687700000000 ] - [ -0.0006631900000000, 0.0007185700000000, -0.0005181100000000 ] - [ -0.0000759800000000, 0.0000636900000000, 0.0000557800000000 ] - [ 0.0008986300000000, 0.0007278100000000, 0.0002116400000000 ] - [ 0.0005712300000000, -0.0000896400000000, 0.0001604300000000 ] - [ 0.0000371500000000, 0.0006513200000000, -0.0008084800000000 ] - [ -0.0011714100000000, 0.0009373600000000, 0.0001213400000000 ] - [ -0.0005368300000000, 0.0007761400000000, -0.0002180700000000 ] - [ -0.0002616500000000, 0.0002761800000000, -0.0000592600000000 ] - [ -0.0007382200000000, -0.0002818500000000, 0.0006542100000000 ] - [ -0.0001615900000000, -0.0002194800000000, -0.0001778100000000 ] - [ -0.0001275800000000, -0.0006508400000000, 0.0007709100000000 ] - [ 0.0001746900000000, -0.0002494300000000, -0.0000409300000000 ] - [ -0.0001478200000000, -0.0004695200000000, 0.0000228400000000 ] - [ 0.0000876900000000, -0.0002042500000000, -0.0001395700000000 ] - [ -0.0001949500000000, -0.0003501400000000, 0.0001738000000000 ] - [ 0.0000187400000000, -0.0002721400000000, 0.0000091200000000 ] - [ 0.0001540400000000, 0.0005960400000000, 0.0001717700000000 ] - [ -0.0004596100000000, 0.0002976200000000, 0.0002474400000000 ] - [ -0.0000013000000000, 0.0002882600000000, -0.0002362200000000 ] - [ -0.0001573900000000, 0.0002321400000000, -0.0000501800000000 ] - [ -0.0005099500000000, -0.0000507200000000, -0.0001714300000000 ] - [ -0.0001668000000000, 0.0002733300000000, -0.0002636800000000 ] - [ -0.0005176800000000, -0.0004495500000000, -0.0011491600000000 ] - [ -0.0000805300000000, -0.0001644700000000, 0.0003654300000000 ] - [ 0.0058972300000000, 0.0003617200000000, -0.0033507800000000 ] - [ 0.0001272700000000, -0.0001334100000000, 0.0000476800000000 ] - [ -0.0007123100000000, -0.0002086400000000, 0.0002860400000000 ] - [ -0.0001832800000000, -0.0001609300000000, -0.0002224600000000 ] - [ 0.0022951200000000, 0.0018106500000000, -0.0006314000000000 ] - [ 0.0005207900000000, 0.0004665500000000, 0.0000543700000000 ] - [ -0.0009006700000000, 0.0004540800000000, 0.0000858600000000 ] - [ 0.0000334800000000, 0.0002262000000000, -0.0002697200000000 ] - [ -0.0002947600000000, 0.0003641600000000, 0.0000658500000000 ] - [ -0.0001062500000000, -0.0001899200000000, 0.0000649400000000 ] - [ 0.0018725600000000, -0.0023274000000000, 0.0016772400000000 ] - [ 0.0000192400000000, -0.0001915900000000, 0.0000041800000000 ] - [ 0.0004121400000000, -0.0003398500000000, -0.0000622900000000 ] - [ 0.0001179600000000, 0.0000628500000000, 0.0000024000000000 ] - [ -0.0002242600000000, 0.0000009500000000, 0.0002482800000000 ] - [ -0.0001096700000000, -0.0000280200000000, -0.0000913500000000 ] - [ 0.0000230600000000, -0.0005843200000000, -0.0001292000000000 ] - [ -0.0000115800000000, -0.0001825800000000, 0.0000119300000000 ] - [ 0.0001214900000000, -0.0002834700000000, -0.0000189300000000 ] - [ 0.0000538000000000, -0.0002119100000000, 0.0000513600000000 ] - [ -0.0002083000000000, 0.0001765300000000, -0.0000955200000000 ] - [ -0.0001462700000000, 0.0001643600000000, -0.0000859000000000 ] - [ 0.0002428200000000, 0.0000438300000000, 0.0000805200000000 ] - [ 0.0000780200000000, 0.0001876000000000, 0.0000806100000000 ] - [ 0.0003237600000000, -0.0000994800000000, 0.0001187000000000 ] - [ 0.0002847900000000, -0.0001960700000000, 0.0000646300000000 ] - [ -0.0007024600000000, -0.0000936800000000, -0.0001696000000000 ] - [ -0.0001302700000000, -0.0001942100000000, -0.0001313900000000 ]- atom: 17 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ -0.0045725800000000, -0.0042058600000000, -0.0053666700000000 ] - [ -0.0000320800000000, 0.0001943400000000, 0.0000610900000000 ] - [ -0.0007993200000000, 0.0007749800000000, 0.0003200900000000 ] - [ 0.0001436700000000, -0.0001303600000000, 0.0001122500000000 ] - [ 0.0002731900000000, -0.0003979100000000, -0.0005940300000000 ] - [ -0.0000691800000000, -0.0000248700000000, 0.0000841800000000 ] - [ 0.0000563700000000, -0.0000264600000000, 0.0000615000000000 ] - [ 0.0000798200000000, -0.0000510800000000, -0.0000085800000000 ] - [ -0.0003048500000000, -0.0001075100000000, 0.0001390100000000 ] - [ -0.0005180100000000, 0.0000583700000000, 0.0003577300000000 ] - [ -0.0001706500000000, -0.0017109300000000, 0.0006398000000000 ] - [ 0.0001275100000000, -0.0000586200000000, -0.0002019300000000 ] - [ -0.0007413800000000, 0.0008587500000000, 0.0005308800000000 ] - [ 0.0007593300000000, 0.0003519200000000, -0.0008136700000000 ] - [ -0.0016076300000000, 0.0003997500000000, -0.0001512100000000 ] - [ -0.0003729700000000, -0.0000121200000000, 0.0002169700000000 ] - [ 0.0609015400000000, 0.0370604800000000, 0.0364122100000000 ] - [ 0.0000160100000000, -0.0000966300000000, -0.0000892900000000 ] - [ -0.0001073000000000, -0.0001024000000000, 0.0002982200000000 ] - [ -0.0015277800000000, -0.0000111700000000, -0.0010408200000000 ] - [ -0.0002583500000000, 0.0003201500000000, 0.0002174300000000 ] - [ 0.0001227300000000, 0.0002996600000000, 0.0001877000000000 ] - [ 0.0001125700000000, 0.0000589600000000, 0.0000583200000000 ] - [ 0.0001037800000000, 0.0006206600000000, -0.0002396800000000 ] - [ 0.0003274500000000, 0.0003114100000000, -0.0002201400000000 ] - [ 0.0001619000000000, 0.0002554800000000, -0.0002030400000000 ] - [ 0.0001349500000000, 0.0001001600000000, 0.0003109200000000 ] - [ -0.0000475200000000, 0.0004122500000000, 0.0003053900000000 ] - [ -0.0047625200000000, -0.0055875300000000, -0.0047523400000000 ] - [ -0.0001878100000000, -0.0002271500000000, 0.0002998500000000 ] - [ -0.0001360300000000, -0.0001828700000000, -0.0001623300000000 ] - [ 0.0004080700000000, -0.0009283900000000, -0.0005478100000000 ] - [ 0.0004435900000000, -0.0000965600000000, 0.0001366800000000 ] - [ 0.0002293400000000, -0.0001206600000000, 0.0002767600000000 ] - [ -0.0002525500000000, 0.0002360000000000, -0.0001333900000000 ] - [ 0.0000189400000000, -0.0000387500000000, -0.0002093100000000 ] - [ -0.0005052800000000, -0.0003080800000000, -0.0004414100000000 ] - [ -0.0001384600000000, 0.0000056800000000, -0.0001315200000000 ] - [ 0.0019669900000000, 0.0001877400000000, -0.0000258500000000 ] - [ -0.0002479800000000, -0.0000071200000000, 0.0008040700000000 ] - [ -0.0000892600000000, -0.0000442700000000, -0.0000238500000000 ] - [ -0.0000036800000000, 0.0000345300000000, -0.0000573900000000 ] - [ -0.0001110000000000, 0.0001073700000000, -0.0001450400000000 ] - [ -0.0001133800000000, -0.0000277100000000, -0.0000362200000000 ] - [ -0.0004052400000000, -0.0002728400000000, 0.0004900500000000 ] - [ -0.0000792600000000, -0.0002397100000000, -0.0006016700000000 ] - [ -0.0003532200000000, 0.0003929200000000, -0.0003211100000000 ] - [ -0.0004997800000000, 0.0002506000000000, 0.0002649200000000 ] - [ -0.0000377800000000, -0.0003222700000000, 0.0003433700000000 ] - [ 0.0003268400000000, -0.0002161100000000, 0.0002006300000000 ] - [ -0.0017113000000000, -0.0017308400000000, -0.0002643900000000 ] - [ 0.0000325800000000, -0.0001001400000000, -0.0002315700000000 ] - [ 0.0001527900000000, -0.0000571200000000, -0.0002675800000000 ] - [ 0.0000077900000000, 0.0000228100000000, -0.0001470400000000 ] - [ 0.0000394900000000, -0.0001139800000000, 0.0001949300000000 ] - [ -0.0000784700000000, -0.0000332100000000, 0.0002517100000000 ] - [ -0.0004134700000000, -0.0003995200000000, -0.0002953400000000 ] - [ -0.0002049200000000, -0.0002558300000000, -0.0002498700000000 ] - [ 0.0002462500000000, -0.0002881200000000, 0.0002006500000000 ] - [ 0.0002075400000000, -0.0002847200000000, 0.0002945200000000 ] - [ 0.0004274900000000, 0.0003206700000000, 0.0002830800000000 ] - [ 0.0002472000000000, 0.0003369200000000, 0.0003693500000000 ] - [ -0.0003320200000000, 0.0002558800000000, -0.0002778800000000 ] - [ -0.0003317300000000, 0.0002824900000000, -0.0002673500000000 ] - [ 0.0002275800000000, 0.0007224800000000, -0.0003244800000000 ] - [ 0.0000436900000000, 0.0002578400000000, -0.0001550100000000 ] - [ -0.0003229700000000, 0.0003995200000000, 0.0002323300000000 ] - [ -0.0001401100000000, 0.0004483100000000, 0.0000473500000000 ] - [ -0.0005728100000000, -0.0007776600000000, 0.0003902400000000 ] - [ -0.0001226000000000, -0.0003168400000000, 0.0001239600000000 ] - [ 0.0001290000000000, -0.0004084500000000, -0.0002362700000000 ] - [ 0.0000546200000000, -0.0004109300000000, -0.0000482600000000 ] - [ -0.0001026900000000, 0.0002229700000000, 0.0000974100000000 ] - [ -0.0000667300000000, 0.0000479200000000, 0.0001203300000000 ] - [ -0.0001245800000000, 0.0006270000000000, -0.0003070800000000 ] - [ -0.0004112000000000, 0.0005038800000000, 0.0002172100000000 ] - [ -0.0000768700000000, -0.0001805700000000, -0.0000468500000000 ] - [ -0.0000268800000000, -0.0000482600000000, -0.0001476800000000 ] - [ -0.0002010400000000, -0.0002433000000000, 0.0001611500000000 ] - [ 0.0000269100000000, -0.0000634500000000, 0.0000912000000000 ] - [ -0.0000249000000000, -0.0000802300000000, 0.0000359800000000 ] - [ -0.0002504200000000, 0.0001523800000000, 0.0001165600000000 ] - [ -0.0002305600000000, 0.0001024000000000, -0.0003923900000000 ] - [ -0.0001335400000000, 0.0001447100000000, -0.0001914100000000 ] - [ -0.0007287000000000, 0.0001279900000000, 0.0000137200000000 ] - [ 0.0002673400000000, 0.0003108400000000, -0.0002197900000000 ] - [ 0.0018416600000000, 0.0016868500000000, 0.0036247100000000 ] - [ 0.0000399900000000, -0.0000512600000000, 0.0000851900000000 ] - [ -0.0422401300000000, -0.0311654100000000, -0.0343091800000000 ] - [ 0.0002577500000000, -0.0005858800000000, -0.0003796300000000 ] - [ 0.0017717500000000, 0.0034628100000000, 0.0018641700000000 ] - [ 0.0001347400000000, -0.0003946500000000, -0.0000198000000000 ] - [ 0.0003934600000000, -0.0004605800000000, 0.0006679300000000 ] - [ -0.0002022800000000, 0.0001935600000000, 0.0000944200000000 ] - [ -0.0006091400000000, -0.0004788900000000, -0.0003685400000000 ] - [ -0.0002957700000000, 0.0003478500000000, -0.0003063700000000 ] - [ -0.0000831600000000, -0.0005511600000000, 0.0010202500000000 ] - [ 0.0011355900000000, -0.0008388400000000, 0.0000943900000000 ] - [ 0.0005802600000000, -0.0006796400000000, 0.0000075400000000 ] - [ 0.0003056000000000, -0.0001764300000000, -0.0001558300000000 ] - [ 0.0007843300000000, 0.0001797800000000, -0.0008719000000000 ] - [ 0.0002067500000000, 0.0001203800000000, -0.0000331000000000 ] - [ 0.0000720500000000, 0.0005478400000000, -0.0005565000000000 ] - [ -0.0002232300000000, 0.0001505900000000, 0.0002571700000000 ] - [ 0.0004236100000000, 0.0002168600000000, -0.0001757300000000 ] - [ 0.0001891400000000, -0.0000483500000000, -0.0000107100000000 ] - [ -0.0000841800000000, 0.0000945400000000, -0.0000220200000000 ] - [ -0.0002976400000000, 0.0000208800000000, 0.0001422900000000 ] - [ -0.0004359900000000, -0.0003423300000000, -0.0000185500000000 ] - [ 0.0001862400000000, -0.0000439800000000, -0.0000999100000000 ] - [ 0.0002765000000000, -0.0000347800000000, 0.0000875800000000 ] - [ 0.0004354900000000, 0.0000203300000000, -0.0001000400000000 ] - [ 0.0004838300000000, 0.0003352600000000, 0.0001293500000000 ] - [ 0.0001390800000000, 0.0000094100000000, 0.0002203100000000 ] - [ 0.0005445800000000, 0.0007404200000000, 0.0012121600000000 ] - [ 0.0001081500000000, 0.0004494800000000, -0.0003240000000000 ] - [ -0.0061625400000000, -0.0006219100000000, 0.0036036200000000 ] - [ -0.0000999200000000, -0.0001485500000000, -0.0000045700000000 ] - [ 0.0006847500000000, -0.0000729200000000, -0.0003307200000000 ] - [ 0.0001551600000000, -0.0001221500000000, 0.0001794300000000 ] - [ -0.0023725000000000, -0.0013698000000000, 0.0004618500000000 ] - [ -0.0006119700000000, -0.0000541200000000, -0.0001739800000000 ] - [ 0.0009901500000000, -0.0000408900000000, 0.0000356400000000 ] - [ 0.0000551300000000, 0.0001860700000000, 0.0003890200000000 ] - [ 0.0003842600000000, -0.0007749400000000, 0.0000537000000000 ] - [ 0.0001961300000000, -0.0002222100000000, 0.0000550200000000 ] - [ -0.0019868600000000, 0.0019407400000000, -0.0018038700000000 ] - [ -0.0001072600000000, -0.0002211600000000, -0.0001258500000000 ] - [ -0.0004401100000000, 0.0006189100000000, 0.0000165200000000 ] - [ -0.0001485600000000, 0.0002200700000000, -0.0000469800000000 ] - [ 0.0002549700000000, 0.0002813900000000, -0.0002030700000000 ] - [ 0.0001401600000000, 0.0003099200000000, 0.0001355700000000 ] - [ 0.0000082600000000, 0.0003002900000000, 0.0001730000000000 ] - [ 0.0000419100000000, -0.0001002500000000, 0.0000324900000000 ] - [ -0.0001519800000000, -0.0000000300000000, -0.0000249100000000 ] - [ -0.0000835600000000, -0.0000708600000000, -0.0000965100000000 ] - [ 0.0001217800000000, 0.0002363200000000, -0.0000227600000000 ] - [ 0.0000595000000000, 0.0002481500000000, -0.0000338400000000 ] - [ -0.0001584500000000, 0.0003675900000000, 0.0000373600000000 ] - [ 0.0000084600000000, 0.0002252300000000, 0.0000387000000000 ] - [ -0.0002384700000000, -0.0003148800000000, 0.0000008900000000 ] - [ -0.0001984200000000, -0.0002169300000000, 0.0000538500000000 ] - [ 0.0006143600000000, -0.0003193600000000, 0.0000495900000000 ] - [ 0.0000431100000000, -0.0002184800000000, 0.0000119700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000383300000000, -0.0015507100000000, 0.0000342800000000 ] - [ 0.0000470600000000, -0.0000490500000000, -0.0000217700000000 ] - [ -0.0005568900000000, -0.0000210200000000, 0.0001729700000000 ] - [ -0.0000456200000000, -0.0002616600000000, -0.0002113300000000 ] - [ 0.0002946200000000, 0.0004069600000000, 0.0004114500000000 ] - [ 0.0000566300000000, -0.0000094000000000, -0.0000185300000000 ] - [ -0.0002049100000000, 0.0001663600000000, 0.0000725500000000 ] - [ 0.0000604100000000, 0.0005785100000000, -0.0004446500000000 ] - [ 0.0000229000000000, -0.0000649100000000, 0.0002464700000000 ] - [ 0.0000075700000000, -0.0001224000000000, 0.0001353600000000 ] - [ 0.0016771400000000, 0.0002530300000000, -0.0010285700000000 ] - [ 0.0000938400000000, -0.0000903300000000, -0.0001891400000000 ] - [ 0.0001050500000000, -0.0002285100000000, -0.0002779800000000 ] - [ -0.0000289100000000, -0.0003022600000000, 0.0000657100000000 ] - [ 0.0000564000000000, -0.0000912300000000, 0.0001716000000000 ] - [ -0.0000415000000000, -0.0000454600000000, 0.0002252000000000 ] - [ -0.0397257000000000, -0.0628823100000000, -0.0397631300000000 ] - [ -0.0002584800000000, -0.0004175200000000, -0.0001094500000000 ] - [ 0.0002523000000000, -0.0003978100000000, 0.0001233700000000 ] - [ 0.0003498400000000, -0.0007623800000000, 0.0003778300000000 ] - [ 0.0000355700000000, -0.0000816200000000, 0.0001450400000000 ] - [ 0.0000549300000000, 0.0000197500000000, 0.0001655800000000 ] - [ 0.0002296200000000, -0.0006236200000000, -0.0012161000000000 ] - [ -0.0002862600000000, -0.0006282600000000, 0.0000639200000000 ] - [ -0.0003992500000000, 0.0001274000000000, -0.0000254900000000 ] - [ 0.0001052500000000, 0.0002508600000000, -0.0002858500000000 ] - [ -0.0008257900000000, 0.0010385100000000, -0.0001673600000000 ] - [ -0.0002914000000000, 0.0003034100000000, 0.0003610800000000 ] - [ 0.0051664100000000, 0.0043716400000000, 0.0051999100000000 ] - [ -0.0000313700000000, -0.0002665600000000, 0.0001279600000000 ] - [ 0.0003401200000000, -0.0002952100000000, -0.0001991800000000 ] - [ 0.0007268600000000, -0.0004113600000000, 0.0001237800000000 ] - [ -0.0003685100000000, 0.0002506600000000, 0.0003351000000000 ] - [ 0.0001463100000000, 0.0000837600000000, -0.0001009600000000 ] - [ -0.0002637800000000, 0.0000850600000000, 0.0000110200000000 ] - [ -0.0006137000000000, -0.0000772600000000, -0.0005950600000000 ] - [ 0.0002693100000000, -0.0002768200000000, 0.0003709600000000 ] - [ -0.0000099900000000, -0.0000210100000000, -0.0001692500000000 ] - [ 0.0042100200000000, 0.0050885900000000, 0.0062346800000000 ] - [ 0.0003049300000000, 0.0000392200000000, -0.0003690100000000 ] - [ 0.0002192100000000, 0.0003601500000000, 0.0000123500000000 ] - [ -0.0000017000000000, 0.0001831400000000, 0.0000350100000000 ] - [ -0.0003047900000000, 0.0001376500000000, -0.0000356900000000 ] - [ 0.0000119700000000, -0.0000743100000000, 0.0000165400000000 ] - [ 0.0001624400000000, -0.0000166900000000, -0.0000899300000000 ] - [ 0.0000672500000000, 0.0002283500000000, 0.0004328600000000 ] - [ 0.0001895800000000, -0.0003533400000000, -0.0000477600000000 ] - [ 0.0000283300000000, -0.0000437000000000, 0.0000133000000000 ] - [ -0.0001226100000000, 0.0002015800000000, 0.0001163700000000 ] - [ -0.0001688700000000, 0.0017833400000000, 0.0013324800000000 ] - [ 0.0018106100000000, 0.0017582600000000, -0.0001268100000000 ] - [ 0.0001491200000000, 0.0000358000000000, -0.0001650800000000 ] - [ -0.0001579400000000, 0.0004298500000000, -0.0001574000000000 ] - [ 0.0000161100000000, 0.0002248200000000, -0.0001530000000000 ] - [ -0.0005025300000000, 0.0016654700000000, 0.0006540800000000 ] - [ -0.0000222000000000, 0.0002898000000000, 0.0001331700000000 ] - [ 0.0000444800000000, 0.0000531300000000, -0.0001046700000000 ] - [ -0.0000999900000000, -0.0001247400000000, -0.0001900700000000 ] - [ 0.0000719000000000, -0.0000067900000000, 0.0002770400000000 ] - [ 0.0000662700000000, 0.0001125700000000, 0.0000313800000000 ] - [ 0.0000357000000000, 0.0006152600000000, 0.0001952300000000 ] - [ 0.0000214200000000, 0.0003051300000000, 0.0001863400000000 ] - [ -0.0000730800000000, 0.0003165600000000, -0.0001466900000000 ] - [ -0.0001021000000000, 0.0003150100000000, -0.0002568700000000 ] - [ 0.0000689600000000, 0.0000079400000000, -0.0001914700000000 ] - [ 0.0000865100000000, 0.0001998000000000, -0.0001666400000000 ] - [ -0.0001055900000000, 0.0002068600000000, 0.0002278400000000 ] - [ -0.0002415900000000, 0.0001273700000000, 0.0000825500000000 ] - [ 0.0004095600000000, 0.0002083000000000, -0.0000258300000000 ] - [ -0.0000985600000000, -0.0001728300000000, 0.0002384000000000 ] - [ 0.0001165900000000, -0.0000706300000000, -0.0001456700000000 ] - [ 0.0002583500000000, -0.0001999800000000, -0.0003466100000000 ] - [ 0.0001482200000000, -0.0001005200000000, 0.0000878000000000 ] - [ 0.0000987600000000, -0.0000360500000000, 0.0001944500000000 ] - [ -0.0009342000000000, 0.0010396300000000, -0.0003632900000000 ] - [ -0.0000905700000000, -0.0000124300000000, -0.0001588600000000 ] - [ 0.0002367300000000, 0.0003845200000000, -0.0006110300000000 ] - [ -0.0001118400000000, 0.0000527700000000, -0.0001429700000000 ] - [ 0.0001846500000000, 0.0000896800000000, 0.0001592600000000 ] - [ 0.0000997600000000, 0.0000645100000000, 0.0001793800000000 ] - [ 0.0001385400000000, -0.0000628600000000, -0.0000471600000000 ] - [ 0.0011540000000000, -0.0012793700000000, 0.0002115600000000 ] - [ 0.0008434800000000, -0.0005794500000000, -0.0004011600000000 ] - [ -0.0000538400000000, -0.0000477800000000, 0.0002634100000000 ] - [ -0.0036601600000000, -0.0018222800000000, -0.0016815600000000 ] - [ -0.0001111600000000, -0.0003487900000000, -0.0000506300000000 ] - [ -0.0017997900000000, -0.0017330200000000, -0.0034314700000000 ] - [ -0.0001252300000000, -0.0000465400000000, 0.0001377700000000 ] - [ 0.0336953900000000, 0.0418183000000000, 0.0363449500000000 ] - [ -0.0000311100000000, 0.0002513900000000, 0.0001137300000000 ] - [ -0.0003800500000000, 0.0005584600000000, -0.0002125300000000 ] - [ -0.0003433100000000, 0.0001792000000000, 0.0001535400000000 ] - [ 0.0003855900000000, 0.0004554900000000, 0.0001312200000000 ] - [ -0.0001513500000000, 0.0002924300000000, 0.0004520400000000 ] - [ 0.0005531100000000, 0.0003398800000000, -0.0010350700000000 ] - [ -0.0000922200000000, 0.0005651700000000, 0.0007004600000000 ] - [ 0.0004216300000000, 0.0009293700000000, 0.0005618600000000 ] - [ -0.0001078200000000, 0.0002428600000000, 0.0001324200000000 ] - [ -0.0000837200000000, 0.0003520000000000, 0.0002533000000000 ] - [ 0.0000048600000000, 0.0001432600000000, -0.0001501400000000 ] - [ -0.0002105000000000, -0.0001119900000000, -0.0000017100000000 ] - [ -0.0002078900000000, -0.0001726600000000, -0.0001264000000000 ] - [ -0.0006294600000000, -0.0001478800000000, 0.0007632900000000 ] - [ 0.0001827500000000, -0.0002042400000000, -0.0000628900000000 ] - [ -0.0001889600000000, -0.0004298400000000, 0.0000303700000000 ] - [ 0.0001259300000000, -0.0002589800000000, -0.0000915000000000 ] - [ -0.0004284000000000, -0.0008387500000000, 0.0007621300000000 ] - [ -0.0000275200000000, -0.0003319100000000, -0.0000151000000000 ] - [ 0.0004322600000000, -0.0003103400000000, -0.0006248100000000 ] - [ -0.0000755100000000, 0.0001284300000000, 0.0000992500000000 ] - [ 0.0002618700000000, 0.0001864300000000, 0.0000368800000000 ] - [ 0.0001045800000000, 0.0000768900000000, -0.0001153000000000 ] - [ -0.0001893500000000, 0.0003316400000000, 0.0000194300000000 ] - [ -0.0000210400000000, 0.0003537900000000, -0.0000541300000000 ] - [ -0.0004387200000000, -0.0005206900000000, -0.0010139100000000 ] - [ -0.0002119300000000, 0.0002141200000000, 0.0001410200000000 ] - [ -0.0018401000000000, 0.0017772000000000, 0.0019387300000000 ] - [ 0.0000671800000000, -0.0000189200000000, -0.0000104500000000 ] - [ -0.0001353400000000, 0.0000514000000000, -0.0000244400000000 ] - [ -0.0000567500000000, -0.0000334200000000, -0.0000759500000000 ] - [ 0.0014638700000000, 0.0023409200000000, -0.0006641300000000 ] - [ 0.0003282400000000, 0.0009195700000000, -0.0003883500000000 ] - [ -0.0003971600000000, 0.0006307000000000, 0.0000962600000000 ] - [ -0.0000076000000000, 0.0003553500000000, -0.0000839600000000 ] - [ 0.0001638500000000, 0.0001086000000000, 0.0001330000000000 ] - [ 0.0000503900000000, -0.0001203300000000, 0.0000332000000000 ] - [ -0.0003813800000000, 0.0076340200000000, -0.0039149600000000 ] - [ -0.0000610300000000, -0.0001264600000000, -0.0000848800000000 ] - [ 0.0002280000000000, -0.0008699800000000, -0.0000779000000000 ] - [ 0.0001311900000000, -0.0001106800000000, -0.0002044100000000 ] - [ -0.0001272200000000, -0.0001154200000000, 0.0002419200000000 ] - [ -0.0001911100000000, -0.0001645900000000, -0.0001099800000000 ] - [ 0.0001698500000000, -0.0008011500000000, -0.0001379900000000 ] - [ 0.0000583700000000, -0.0002739500000000, 0.0000767800000000 ] - [ -0.0001409000000000, -0.0009891100000000, 0.0003275300000000 ] - [ -0.0000357800000000, -0.0003551800000000, -0.0000460600000000 ] - [ -0.0000649500000000, 0.0000625400000000, -0.0000741200000000 ] - [ -0.0000136500000000, 0.0000989200000000, -0.0000720400000000 ] - [ -0.0001730100000000, -0.0003067400000000, -0.0001195700000000 ] - [ 0.0000478800000000, 0.0001024500000000, 0.0000844600000000 ] - [ 0.0005683900000000, -0.0004529000000000, 0.0000367300000000 ] - [ 0.0000680400000000, -0.0003149100000000, 0.0002021700000000 ] - [ -0.0004742500000000, -0.0002142000000000, -0.0001817600000000 ] - [ -0.0000669400000000, -0.0002557900000000, -0.0000555100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000264600000000, 0.0016961100000000, -0.0000490800000000 ] - [ -0.0000474300000000, 0.0002255900000000, 0.0000208600000000 ] - [ 0.0005564900000000, -0.0001505800000000, -0.0001730800000000 ] - [ 0.0000470600000000, 0.0000882400000000, 0.0002151400000000 ] - [ -0.0002940000000000, -0.0004463000000000, -0.0004111100000000 ] - [ -0.0000564700000000, -0.0000295300000000, 0.0000192900000000 ] - [ 0.0002071000000000, -0.0001290000000000, -0.0000739300000000 ] - [ -0.0000628000000000, -0.0005475800000000, 0.0004499900000000 ] - [ -0.0002246100000000, -0.0000122500000000, 0.0001462700000000 ] - [ -0.0002060100000000, 0.0000441800000000, 0.0002569800000000 ] - [ -0.0014950300000000, -0.0003414800000000, 0.0006390400000000 ] - [ 0.0001056600000000, 0.0000133200000000, -0.0002045000000000 ] - [ 0.0000975600000000, 0.0003031500000000, -0.0001191100000000 ] - [ 0.0002324600000000, 0.0003770900000000, -0.0004464100000000 ] - [ -0.0002472900000000, 0.0001685500000000, 0.0002236500000000 ] - [ -0.0001558200000000, 0.0001249900000000, 0.0001677600000000 ] - [ 0.0382514200000000, 0.0622238500000000, 0.0379487500000000 ] - [ -0.0000059500000000, -0.0000307200000000, -0.0002929600000000 ] - [ 0.0000123500000000, -0.0000508700000000, 0.0002812700000000 ] - [ -0.0000894800000000, 0.0003132200000000, 0.0000238200000000 ] - [ 0.0002302500000000, 0.0005327200000000, 0.0002595300000000 ] - [ 0.0002080700000000, 0.0004286300000000, 0.0002376300000000 ] - [ -0.0005012600000000, 0.0010820900000000, 0.0008117000000000 ] - [ 0.0000270800000000, 0.0010781600000000, -0.0004708700000000 ] - [ 0.0006218500000000, 0.0003626800000000, -0.0003647400000000 ] - [ 0.0001167600000000, 0.0002370200000000, -0.0001035200000000 ] - [ 0.0006065600000000, -0.0005561300000000, 0.0005452800000000 ] - [ 0.0000706700000000, 0.0001833600000000, 0.0000283400000000 ] - [ -0.0053129900000000, -0.0048019700000000, -0.0047840900000000 ] - [ -0.0001903500000000, -0.0002190100000000, 0.0002633300000000 ] - [ -0.0001214800000000, -0.0001918000000000, -0.0001874800000000 ] - [ -0.0005008900000000, -0.0000793600000000, -0.0005125500000000 ] - [ 0.0005106800000000, -0.0002604000000000, -0.0000412500000000 ] - [ -0.0000099700000000, -0.0000855400000000, 0.0003977900000000 ] - [ 0.0001246400000000, -0.0000858300000000, -0.0003067600000000 ] - [ 0.0004792100000000, 0.0000796500000000, 0.0003074500000000 ] - [ -0.0004088800000000, 0.0002739200000000, -0.0006620500000000 ] - [ -0.0001311200000000, 0.0000235400000000, -0.0001253700000000 ] - [ -0.0040634900000000, -0.0050396800000000, -0.0058690900000000 ] - [ -0.0001674400000000, -0.0000378900000000, 0.0006684900000000 ] - [ -0.0002205500000000, -0.0001854300000000, -0.0000127700000000 ] - [ 0.0000017600000000, -0.0000075200000000, -0.0000366700000000 ] - [ 0.0003032700000000, -0.0003155100000000, 0.0000366200000000 ] - [ -0.0000114800000000, -0.0001018100000000, -0.0000149900000000 ] - [ -0.0001606700000000, -0.0000185400000000, 0.0000882200000000 ] - [ -0.0000689600000000, -0.0002685400000000, -0.0004420700000000 ] - [ -0.0001815800000000, 0.0003851000000000, 0.0000482200000000 ] - [ -0.0000262700000000, 0.0000794100000000, -0.0000146100000000 ] - [ -0.0000770000000000, -0.0002834500000000, 0.0002768700000000 ] - [ -0.0000325200000000, -0.0018543800000000, -0.0009313000000000 ] - [ -0.0016044600000000, -0.0018295200000000, -0.0002673500000000 ] - [ 0.0000486800000000, -0.0001165200000000, -0.0002264800000000 ] - [ 0.0003593800000000, -0.0003537800000000, -0.0002357300000000 ] - [ 0.0001825500000000, -0.0001464800000000, -0.0002401000000000 ] - [ 0.0003060700000000, -0.0015957400000000, -0.0002639400000000 ] - [ -0.0001774900000000, -0.0002121700000000, 0.0002606300000000 ] - [ -0.0003097200000000, -0.0005051200000000, -0.0003004000000000 ] - [ -0.0001636100000000, -0.0003250900000000, -0.0002137800000000 ] - [ 0.0001937400000000, -0.0004451200000000, 0.0001265700000000 ] - [ 0.0001969100000000, -0.0005621600000000, 0.0003720600000000 ] - [ 0.0002260300000000, -0.0001694000000000, 0.0002083200000000 ] - [ 0.0002428200000000, 0.0001423500000000, 0.0002182100000000 ] - [ -0.0001907300000000, 0.0001320900000000, -0.0002583200000000 ] - [ -0.0001611000000000, 0.0001317800000000, -0.0001463300000000 ] - [ 0.0001520600000000, 0.0004742200000000, -0.0001979700000000 ] - [ 0.0001345900000000, 0.0002859600000000, -0.0002230400000000 ] - [ -0.0001150500000000, 0.0002779100000000, 0.0001592500000000 ] - [ 0.0000208500000000, 0.0003562400000000, 0.0003068400000000 ] - [ -0.0006345500000000, -0.0006961900000000, 0.0004168600000000 ] - [ -0.0001225400000000, -0.0003145700000000, 0.0001508500000000 ] - [ 0.0001046500000000, -0.0004189600000000, -0.0002433000000000 ] - [ -0.0000381000000000, -0.0002850500000000, -0.0000423900000000 ] - [ -0.0000062600000000, 0.0000962800000000, 0.0002070400000000 ] - [ 0.0000411700000000, 0.0000326100000000, 0.0001014600000000 ] - [ 0.0007859700000000, -0.0010262700000000, 0.0000624400000000 ] - [ -0.0000471000000000, 0.0000078700000000, -0.0001372600000000 ] - [ -0.0003778300000000, -0.0003832800000000, 0.0003185500000000 ] - [ -0.0000273800000000, -0.0000512200000000, -0.0001526100000000 ] - [ -0.0000450300000000, -0.0000862000000000, 0.0001362500000000 ] - [ 0.0000400000000000, -0.0000633000000000, 0.0001153400000000 ] - [ -0.0001825000000000, 0.0001658600000000, 0.0002590800000000 ] - [ -0.0012070600000000, 0.0013952900000000, 0.0000030900000000 ] - [ -0.0008077700000000, 0.0006834300000000, 0.0001928800000000 ] - [ 0.0000995500000000, 0.0001500600000000, -0.0004789700000000 ] - [ 0.0036942400000000, 0.0017180100000000, 0.0014762400000000 ] - [ 0.0001556700000000, 0.0002486800000000, -0.0001619900000000 ] - [ 0.0017607200000000, 0.0016294800000000, 0.0036293700000000 ] - [ 0.0000842300000000, -0.0000546000000000, 0.0000730700000000 ] - [ -0.0323378900000000, -0.0415926600000000, -0.0353605600000000 ] - [ 0.0003090300000000, -0.0005105300000000, -0.0002664700000000 ] - [ 0.0001136000000000, -0.0007929700000000, 0.0003719500000000 ] - [ 0.0000690600000000, -0.0004346400000000, -0.0000056900000000 ] - [ -0.0006618500000000, -0.0002069100000000, 0.0000222700000000 ] - [ -0.0001227400000000, -0.0000399900000000, -0.0003058900000000 ] - [ -0.0002826100000000, -0.0000877400000000, 0.0008832500000000 ] - [ 0.0003744800000000, -0.0003190200000000, -0.0008556400000000 ] - [ -0.0004732000000000, -0.0008090900000000, -0.0003595200000000 ] - [ 0.0000605000000000, -0.0001346400000000, 0.0000778700000000 ] - [ 0.0001205600000000, -0.0002418300000000, -0.0004634300000000 ] - [ 0.0000348500000000, -0.0000395100000000, -0.0000594600000000 ] - [ 0.0002501500000000, 0.0000068900000000, -0.0002062300000000 ] - [ 0.0002550400000000, 0.0000699700000000, -0.0000851600000000 ] - [ 0.0005853500000000, 0.0000330300000000, -0.0005488500000000 ] - [ -0.0002285600000000, 0.0001040200000000, 0.0002766200000000 ] - [ 0.0004667400000000, 0.0001733900000000, -0.0001828500000000 ] - [ 0.0001508600000000, 0.0000067600000000, -0.0000572600000000 ] - [ 0.0001558300000000, 0.0005886700000000, -0.0006166000000000 ] - [ -0.0002502200000000, 0.0000807200000000, 0.0001651600000000 ] - [ -0.0007054400000000, 0.0005726500000000, 0.0007737800000000 ] - [ -0.0002029900000000, 0.0001274700000000, 0.0000514500000000 ] - [ 0.0000129600000000, 0.0000723800000000, -0.0001869300000000 ] - [ 0.0001703300000000, 0.0001781200000000, -0.0000341600000000 ] - [ 0.0001586800000000, -0.0000525700000000, -0.0000650500000000 ] - [ -0.0000086000000000, -0.0000740300000000, 0.0000111200000000 ] - [ 0.0004754200000000, 0.0008086100000000, 0.0010776900000000 ] - [ 0.0002425300000000, 0.0000660300000000, -0.0000955300000000 ] - [ 0.0018825900000000, -0.0020803100000000, -0.0019005200000000 ] - [ -0.0000367000000000, -0.0002666300000000, 0.0000532200000000 ] - [ 0.0001053200000000, -0.0003344700000000, -0.0000198400000000 ] - [ 0.0000260000000000, -0.0002517400000000, 0.0000298700000000 ] - [ -0.0015284600000000, -0.0019296200000000, 0.0005070300000000 ] - [ -0.0004137500000000, -0.0005067100000000, 0.0002676300000000 ] - [ 0.0004818300000000, -0.0002177300000000, 0.0000219800000000 ] - [ 0.0000943800000000, 0.0000566300000000, 0.0002036800000000 ] - [ -0.0000783800000000, -0.0005241300000000, -0.0000135300000000 ] - [ 0.0000378800000000, -0.0002931900000000, 0.0000859000000000 ] - [ 0.0003283100000000, -0.0083822900000000, 0.0040177900000000 ] - [ -0.0000265600000000, -0.0002871000000000, -0.0000341400000000 ] - [ -0.0002573300000000, 0.0011544000000000, 0.0000355300000000 ] - [ -0.0001592900000000, 0.0003946700000000, 0.0001582700000000 ] - [ 0.0001564800000000, 0.0003993400000000, -0.0001969700000000 ] - [ 0.0002202900000000, 0.0004482700000000, 0.0001535000000000 ] - [ -0.0001412700000000, 0.0005182200000000, 0.0001817700000000 ] - [ -0.0000295300000000, -0.0000076800000000, -0.0000339800000000 ] - [ 0.0001126400000000, 0.0007095400000000, -0.0003725700000000 ] - [ 0.0000061700000000, 0.0000743000000000, 0.0000020200000000 ] - [ -0.0000222300000000, 0.0003510000000000, -0.0000446100000000 ] - [ -0.0000749800000000, 0.0003140100000000, -0.0000474100000000 ] - [ 0.0002624900000000, 0.0007219900000000, 0.0002408200000000 ] - [ 0.0000400200000000, 0.0003108800000000, 0.0000345000000000 ] - [ -0.0004786800000000, 0.0000418900000000, 0.0000827400000000 ] - [ 0.0000196600000000, -0.0000953600000000, -0.0000821300000000 ] - [ 0.0003850800000000, -0.0001959600000000, 0.0000615900000000 ] - [ -0.0000210000000000, -0.0001556900000000, -0.0000644300000000 ]- atom: 17 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0036640200000000, 0.0030431700000000, 0.0028122800000000 ] - [ -0.0001498000000000, 0.0001996200000000, 0.0001434100000000 ] - [ -0.0010828100000000, 0.0007273100000000, -0.0003816000000000 ] - [ 0.0000941000000000, -0.0001691000000000, 0.0002339700000000 ] - [ 0.0005702100000000, 0.0000844900000000, -0.0005088300000000 ] - [ -0.0001980700000000, -0.0001632700000000, 0.0002611700000000 ] - [ -0.0000614100000000, 0.0001859200000000, -0.0001508400000000 ] - [ -0.0000423900000000, -0.0000899800000000, 0.0001470300000000 ] - [ 0.0000017300000000, -0.0000303800000000, 0.0002247600000000 ] - [ -0.0000105000000000, -0.0000797400000000, 0.0001474700000000 ] - [ 0.0000608900000000, -0.0004105800000000, -0.0016978600000000 ] - [ 0.0001169000000000, 0.0000500500000000, -0.0000551300000000 ] - [ -0.0004313400000000, 0.0004153600000000, 0.0002981200000000 ] - [ 0.0012571800000000, -0.0003158700000000, 0.0002400600000000 ] - [ -0.0009020900000000, 0.0003056800000000, -0.0002976400000000 ] - [ -0.0000503400000000, 0.0000457300000000, 0.0004154000000000 ] - [ -0.0220142900000000, -0.0278109000000000, -0.0578667900000000 ] - [ -0.0001883800000000, -0.0001028200000000, 0.0002843500000000 ] - [ -0.0000225500000000, -0.0001188400000000, 0.0001682100000000 ] - [ 0.0009187100000000, -0.0003374100000000, 0.0009489700000000 ] - [ 0.0000040100000000, 0.0001944400000000, -0.0002105100000000 ] - [ 0.0001501300000000, 0.0002103500000000, 0.0004137100000000 ] - [ -0.0000160800000000, -0.0000772600000000, 0.0001998500000000 ] - [ -0.0003112400000000, 0.0012960500000000, 0.0001144200000000 ] - [ 0.0002291100000000, 0.0004947600000000, -0.0005991300000000 ] - [ 0.0000919200000000, 0.0002286500000000, -0.0000521500000000 ] - [ 0.0000614000000000, 0.0000272300000000, 0.0004140400000000 ] - [ -0.0002459500000000, 0.0005490200000000, 0.0001136800000000 ] - [ -0.0018303600000000, -0.0021509000000000, -0.0031126900000000 ] - [ -0.0004548600000000, -0.0002722100000000, 0.0005342400000000 ] - [ -0.0008149500000000, -0.0003435300000000, 0.0001147300000000 ] - [ 0.0005476600000000, -0.0000656800000000, -0.0000501900000000 ] - [ -0.0000147800000000, 0.0006961400000000, -0.0005599900000000 ] - [ 0.0001034900000000, -0.0001516400000000, 0.0004605600000000 ] - [ -0.0003278500000000, 0.0002720400000000, -0.0002507100000000 ] - [ 0.0000648500000000, 0.0000148300000000, 0.0000018500000000 ] - [ 0.0000477400000000, 0.0005136600000000, -0.0006973000000000 ] - [ -0.0002707500000000, -0.0000642000000000, 0.0001927000000000 ] - [ 0.0046557100000000, 0.0055038700000000, 0.0048579300000000 ] - [ -0.0008709300000000, -0.0001246800000000, 0.0018271800000000 ] - [ -0.0000957500000000, 0.0000566500000000, -0.0001325800000000 ] - [ 0.0000704600000000, 0.0001226800000000, 0.0000964600000000 ] - [ 0.0001691900000000, -0.0002500700000000, -0.0001786400000000 ] - [ 0.0000117200000000, -0.0000543600000000, 0.0000939600000000 ] - [ -0.0001256400000000, -0.0001211200000000, 0.0000540800000000 ] - [ 0.0000738000000000, 0.0001610200000000, 0.0003528100000000 ] - [ 0.0006436800000000, -0.0000630200000000, -0.0009016900000000 ] - [ -0.0001958500000000, 0.0001159000000000, 0.0003224000000000 ] - [ -0.0001878100000000, -0.0008447300000000, 0.0003575400000000 ] - [ 0.0000110200000000, 0.0013122200000000, 0.0010261100000000 ] - [ -0.0003809100000000, -0.0004612700000000, -0.0004781300000000 ] - [ 0.0000237900000000, -0.0001288000000000, -0.0000329100000000 ] - [ 0.0002054900000000, -0.0000349800000000, -0.0001734700000000 ] - [ 0.0000074100000000, 0.0000977900000000, -0.0001824800000000 ] - [ 0.0001158500000000, -0.0003901300000000, -0.0002167500000000 ] - [ -0.0001563500000000, 0.0000400900000000, 0.0003504400000000 ] - [ -0.0001217900000000, -0.0001755100000000, -0.0004461100000000 ] - [ -0.0001023400000000, -0.0002214700000000, -0.0000930700000000 ] - [ 0.0001637000000000, -0.0003135300000000, 0.0001696300000000 ] - [ 0.0000639900000000, -0.0000788300000000, 0.0001962000000000 ] - [ 0.0001211400000000, 0.0002445700000000, -0.0001924600000000 ] - [ 0.0000117300000000, 0.0002376000000000, 0.0005612000000000 ] - [ -0.0001230300000000, 0.0002868600000000, -0.0002028300000000 ] - [ -0.0001115600000000, 0.0001861800000000, -0.0001980200000000 ] - [ 0.0003282400000000, 0.0004635100000000, -0.0006349600000000 ] - [ 0.0001040500000000, 0.0002634400000000, -0.0000816200000000 ] - [ -0.0002330000000000, 0.0003174100000000, 0.0003300200000000 ] - [ 0.0001326500000000, 0.0001640200000000, 0.0000028100000000 ] - [ 0.0000722400000000, -0.0000725300000000, -0.0000920200000000 ] - [ -0.0000650600000000, -0.0002005700000000, 0.0003035500000000 ] - [ 0.0001294100000000, -0.0001402200000000, -0.0001241900000000 ] - [ 0.0000797700000000, -0.0003075000000000, -0.0002251600000000 ] - [ 0.0002029600000000, -0.0000075500000000, -0.0000372500000000 ] - [ 0.0000669200000000, 0.0000066800000000, 0.0002612900000000 ] - [ 0.0004286300000000, -0.0006721900000000, -0.0006906900000000 ] - [ -0.0002062400000000, 0.0003222100000000, 0.0001673100000000 ] - [ -0.0000402600000000, -0.0000071700000000, -0.0002468800000000 ] - [ -0.0000396600000000, 0.0000271200000000, -0.0000454500000000 ] - [ -0.0000024400000000, -0.0001489400000000, 0.0000535900000000 ] - [ 0.0001246700000000, 0.0000567600000000, 0.0001889600000000 ] - [ 0.0001008900000000, -0.0002293100000000, 0.0002791200000000 ] - [ -0.0003286200000000, 0.0004136400000000, -0.0000272500000000 ] - [ 0.0000578500000000, -0.0002588800000000, 0.0007578900000000 ] - [ -0.0000000100000000, 0.0000872200000000, -0.0003474400000000 ] - [ -0.0035933900000000, -0.0015104500000000, -0.0013643100000000 ] - [ 0.0008094400000000, 0.0011030100000000, -0.0003861900000000 ] - [ 0.0007737400000000, 0.0005825800000000, 0.0020845500000000 ] - [ 0.0001482200000000, 0.0000245200000000, -0.0001240900000000 ] - [ 0.0259321400000000, 0.0278634400000000, 0.0414596500000000 ] - [ 0.0008164500000000, -0.0009912900000000, -0.0009778500000000 ] - [ -0.0012252400000000, -0.0024374000000000, -0.0008860400000000 ] - [ 0.0004673300000000, -0.0005238000000000, -0.0002765700000000 ] - [ 0.0005091700000000, -0.0005882100000000, 0.0013854200000000 ] - [ -0.0001948600000000, 0.0002104000000000, -0.0002473700000000 ] - [ 0.0006253400000000, -0.0011624100000000, -0.0001853000000000 ] - [ -0.0000289300000000, 0.0003656300000000, -0.0006062400000000 ] - [ -0.0013828500000000, 0.0009297500000000, 0.0003959400000000 ] - [ 0.0006017000000000, -0.0004749700000000, -0.0001444800000000 ] - [ -0.0000635700000000, -0.0000087100000000, 0.0008585700000000 ] - [ -0.0000191700000000, -0.0001399100000000, -0.0003703600000000 ] - [ 0.0002403600000000, 0.0001127500000000, -0.0001780200000000 ] - [ -0.0001607300000000, -0.0001808000000000, -0.0001764000000000 ] - [ -0.0000411100000000, 0.0000976700000000, 0.0008332100000000 ] - [ 0.0000061000000000, -0.0001679400000000, -0.0001036900000000 ] - [ 0.0001635900000000, -0.0001097700000000, 0.0003392000000000 ] - [ 0.0000684200000000, -0.0001484100000000, -0.0002036500000000 ] - [ -0.0000898400000000, -0.0000589900000000, 0.0001676100000000 ] - [ -0.0001915200000000, -0.0001914100000000, -0.0000251200000000 ] - [ -0.0007259200000000, 0.0003706800000000, 0.0011756400000000 ] - [ 0.0000399200000000, 0.0000854200000000, -0.0001979100000000 ] - [ -0.0000518000000000, 0.0002238600000000, 0.0001367800000000 ] - [ 0.0002058800000000, 0.0000319800000000, -0.0002210900000000 ] - [ 0.0001213200000000, 0.0003399500000000, 0.0002553600000000 ] - [ -0.0001089400000000, 0.0002347800000000, -0.0002417000000000 ] - [ -0.0005487400000000, -0.0004617600000000, -0.0001128100000000 ] - [ 0.0001855300000000, 0.0003664600000000, -0.0002868500000000 ] - [ -0.0072403300000000, 0.0006428800000000, 0.0063193900000000 ] - [ -0.0000467700000000, -0.0002783700000000, -0.0004846300000000 ] - [ -0.0000803500000000, -0.0001134300000000, 0.0000843300000000 ] - [ -0.0001477900000000, -0.0001723800000000, -0.0000829200000000 ] - [ -0.0006329600000000, -0.0005968900000000, -0.0007681700000000 ] - [ 0.0000364600000000, 0.0002708500000000, -0.0006514500000000 ] - [ 0.0004666500000000, 0.0001679000000000, 0.0004303400000000 ] - [ 0.0000997300000000, 0.0001699900000000, -0.0002559500000000 ] - [ -0.0001740100000000, 0.0001498000000000, 0.0001712900000000 ] - [ 0.0001203200000000, -0.0002517500000000, -0.0000789600000000 ] - [ 0.0005312200000000, -0.0056353100000000, 0.0048594700000000 ] - [ 0.0000506600000000, -0.0003349100000000, -0.0004193500000000 ] - [ -0.0001157700000000, 0.0004226000000000, 0.0003772500000000 ] - [ 0.0000928900000000, 0.0000926500000000, -0.0003472400000000 ] - [ 0.0001106400000000, 0.0002410700000000, 0.0000149900000000 ] - [ -0.0001146800000000, 0.0000547500000000, -0.0000508500000000 ] - [ -0.0000739500000000, -0.0000772100000000, 0.0002403100000000 ] - [ 0.0000107600000000, -0.0001094800000000, -0.0001023000000000 ] - [ -0.0000062400000000, -0.0003892900000000, 0.0001622700000000 ] - [ -0.0000081700000000, 0.0000255300000000, -0.0001839500000000 ] - [ -0.0000134700000000, 0.0002027000000000, -0.0000313500000000 ] - [ -0.0000830300000000, 0.0002040500000000, -0.0001389800000000 ] - [ 0.0001232500000000, 0.0002382400000000, 0.0002856500000000 ] - [ 0.0000885200000000, 0.0001827800000000, -0.0000594700000000 ] - [ 0.0004573700000000, -0.0004378800000000, 0.0000984300000000 ] - [ -0.0001142000000000, 0.0000872200000000, -0.0001524400000000 ] - [ 0.0000851100000000, -0.0003255600000000, 0.0001410200000000 ] - [ -0.0000428600000000, -0.0001974700000000, -0.0001746800000000 ]- atom: 17 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ -0.0036410500000000, -0.0028689100000000, -0.0028035800000000 ] - [ 0.0001512000000000, -0.0000213800000000, -0.0001456300000000 ] - [ 0.0010937900000000, -0.0009096100000000, 0.0003887300000000 ] - [ -0.0000953000000000, -0.0000101700000000, -0.0002355700000000 ] - [ -0.0005679700000000, -0.0001248700000000, 0.0005065900000000 ] - [ 0.0001991000000000, 0.0001279300000000, -0.0002605900000000 ] - [ 0.0000626800000000, -0.0001509700000000, 0.0001520800000000 ] - [ 0.0000432200000000, 0.0001293500000000, -0.0001510600000000 ] - [ -0.0002017300000000, -0.0000483400000000, 0.0001689600000000 ] - [ -0.0001893700000000, 0.0000021200000000, 0.0002455400000000 ] - [ 0.0001591300000000, 0.0003488300000000, 0.0012878600000000 ] - [ 0.0000833100000000, -0.0001272900000000, -0.0003413100000000 ] - [ 0.0006364200000000, -0.0003434100000000, -0.0006997300000000 ] - [ -0.0010661400000000, 0.0003993000000000, -0.0006425400000000 ] - [ 0.0006998500000000, -0.0002271700000000, 0.0006920700000000 ] - [ -0.0001496700000000, 0.0000318100000000, -0.0000227400000000 ] - [ 0.0211543700000000, 0.0267225800000000, 0.0572048500000000 ] - [ -0.0000769400000000, -0.0003486200000000, -0.0006931500000000 ] - [ 0.0002903100000000, -0.0003336200000000, 0.0002390900000000 ] - [ -0.0006568400000000, -0.0001113900000000, -0.0005466600000000 ] - [ 0.0002620500000000, 0.0002554500000000, 0.0006178500000000 ] - [ 0.0001151700000000, 0.0002396500000000, -0.0000096900000000 ] - [ -0.0002460900000000, 0.0005213300000000, -0.0006040700000000 ] - [ 0.0000532400000000, -0.0008521300000000, -0.0005267100000000 ] - [ -0.0000089800000000, -0.0000106800000000, 0.0002147800000000 ] - [ 0.0001295900000000, 0.0002567700000000, -0.0003390300000000 ] - [ -0.0002875900000000, 0.0004631800000000, -0.0000311200000000 ] - [ 0.0000267100000000, -0.0000651300000000, 0.0002759600000000 ] - [ 0.0015839300000000, 0.0016422600000000, 0.0034704600000000 ] - [ 0.0002372700000000, -0.0002136800000000, -0.0001484100000000 ] - [ 0.0010464600000000, -0.0001413100000000, -0.0005060800000000 ] - [ -0.0003257800000000, -0.0004242700000000, -0.0003430700000000 ] - [ 0.0001582200000000, -0.0007041700000000, 0.0008587700000000 ] - [ 0.0000405100000000, 0.0001500200000000, -0.0001671400000000 ] - [ 0.0001885800000000, -0.0002767700000000, -0.0000440700000000 ] - [ -0.0002079400000000, -0.0000173000000000, -0.0002999300000000 ] - [ -0.0001926400000000, -0.0005113900000000, 0.0004002000000000 ] - [ 0.0001327900000000, 0.0000664800000000, -0.0004913700000000 ] - [ -0.0044952800000000, -0.0054425500000000, -0.0045239300000000 ] - [ 0.0010224300000000, 0.0001264500000000, -0.0015500500000000 ] - [ 0.0000936200000000, 0.0001237300000000, 0.0001281300000000 ] - [ -0.0000706700000000, 0.0000553300000000, -0.0000977000000000 ] - [ -0.0001692600000000, 0.0000716600000000, 0.0001801200000000 ] - [ -0.0000108100000000, -0.0001255900000000, -0.0000921600000000 ] - [ 0.0001245500000000, 0.0000830000000000, -0.0000517400000000 ] - [ -0.0000755500000000, -0.0002000600000000, -0.0003561900000000 ] - [ -0.0006492000000000, 0.0001066300000000, 0.0009034500000000 ] - [ 0.0001957900000000, -0.0000788200000000, -0.0003255200000000 ] - [ -0.0000108100000000, 0.0007779500000000, 0.0000356000000000 ] - [ -0.0002110700000000, -0.0013856500000000, -0.0006259100000000 ] - [ 0.0005728200000000, 0.0003766800000000, 0.0000807200000000 ] - [ 0.0001779000000000, 0.0000534900000000, -0.0003634400000000 ] - [ -0.0000070100000000, 0.0001135600000000, -0.0002214400000000 ] - [ 0.0001938100000000, -0.0000209000000000, -0.0002114100000000 ] - [ -0.0003181000000000, 0.0004688300000000, 0.0006165000000000 ] - [ -0.0000421900000000, 0.0000375800000000, 0.0000427800000000 ] - [ -0.0001423300000000, -0.0002729600000000, 0.0000437600000000 ] - [ -0.0001643100000000, -0.0002288400000000, -0.0003137000000000 ] - [ 0.0001016700000000, -0.0001358600000000, 0.0002371800000000 ] - [ 0.0002036900000000, -0.0003727100000000, 0.0002091300000000 ] - [ 0.0001452800000000, 0.0002075900000000, 0.0005990800000000 ] - [ 0.0002523400000000, 0.0002112400000000, -0.0001596000000000 ] - [ -0.0001442100000000, 0.0001640600000000, -0.0002043900000000 ] - [ -0.0001544900000000, 0.0002643500000000, -0.0002060500000000 ] - [ -0.0001070400000000, 0.0000217400000000, 0.0002466900000000 ] - [ 0.0001178200000000, 0.0002233100000000, -0.0003109400000000 ] - [ 0.0000115400000000, 0.0001678800000000, 0.0000576900000000 ] - [ -0.0003558000000000, 0.0003249600000000, 0.0003877200000000 ] - [ -0.0002924000000000, -0.0004131000000000, 0.0004795800000000 ] - [ -0.0001568100000000, -0.0002862000000000, 0.0000852900000000 ] - [ 0.0000912400000000, -0.0003464800000000, -0.0002648700000000 ] - [ 0.0001400200000000, -0.0001757300000000, -0.0001642500000000 ] - [ -0.0000614900000000, 0.0000052700000000, 0.0003348500000000 ] - [ 0.0000749400000000, -0.0000089800000000, 0.0000336500000000 ] - [ -0.0005680400000000, 0.0006713400000000, 0.0004028200000000 ] - [ 0.0000646800000000, -0.0003236500000000, -0.0004630700000000 ] - [ -0.0000978900000000, 0.0000117500000000, -0.0000502100000000 ] - [ -0.0001010100000000, -0.0000259600000000, -0.0002501000000000 ] - [ 0.0001477600000000, 0.0001498300000000, 0.0002404400000000 ] - [ 0.0000160700000000, -0.0000544900000000, 0.0001069500000000 ] - [ -0.0001437700000000, 0.0003350300000000, -0.0000699900000000 ] - [ 0.0002922000000000, -0.0003169800000000, 0.0002411800000000 ] - [ -0.0000183900000000, 0.0003629400000000, -0.0009781200000000 ] - [ 0.0000402800000000, 0.0000163100000000, 0.0001391800000000 ] - [ 0.0036291700000000, 0.0014196200000000, 0.0011535700000000 ] - [ -0.0007768000000000, -0.0012223500000000, 0.0001775000000000 ] - [ -0.0008062800000000, -0.0006719700000000, -0.0018497200000000 ] - [ -0.0001927100000000, -0.0001288900000000, 0.0003373000000000 ] - [ -0.0249461000000000, -0.0275392500000000, -0.0414008000000000 ] - [ -0.0005476900000000, 0.0007459000000000, 0.0008374400000000 ] - [ 0.0009638100000000, 0.0021892200000000, 0.0010420400000000 ] - [ -0.0007503700000000, 0.0002736700000000, 0.0004287100000000 ] - [ -0.0007872400000000, 0.0008477700000000, -0.0012461400000000 ] - [ -0.0000805700000000, 0.0000452800000000, 0.0004020600000000 ] - [ -0.0003591400000000, 0.0014238000000000, 0.0000307400000000 ] - [ 0.0002986400000000, -0.0001081300000000, 0.0004626600000000 ] - [ 0.0013441300000000, -0.0008380900000000, -0.0001919300000000 ] - [ -0.0006474600000000, 0.0005814500000000, 0.0003583200000000 ] - [ 0.0001060900000000, 0.0001058600000000, -0.0010746500000000 ] - [ 0.0000619400000000, 0.0002449900000000, 0.0001596500000000 ] - [ -0.0001971600000000, -0.0002171500000000, -0.0000333200000000 ] - [ 0.0002057400000000, 0.0000790900000000, -0.0000356600000000 ] - [ -0.0000064100000000, -0.0002043400000000, -0.0006090700000000 ] - [ -0.0000494200000000, 0.0000669500000000, 0.0003177300000000 ] - [ 0.0001131700000000, -0.0001472800000000, -0.0004845000000000 ] - [ 0.0002087900000000, -0.0001055300000000, 0.0000544000000000 ] - [ -0.0001878000000000, -0.0001975600000000, -0.0000161400000000 ] - [ -0.0000823300000000, -0.0000624500000000, 0.0001762800000000 ] - [ 0.0004499700000000, -0.0001162400000000, -0.0010281700000000 ] - [ -0.0003160600000000, 0.0001727000000000, 0.0003502000000000 ] - [ 0.0003294100000000, 0.0000281000000000, -0.0002878200000000 ] - [ 0.0000702300000000, 0.0002246200000000, 0.0000735700000000 ] - [ -0.0001520100000000, -0.0000551000000000, -0.0003004100000000 ] - [ 0.0000804500000000, 0.0000481100000000, 0.0001998200000000 ] - [ 0.0005725100000000, 0.0007417000000000, 0.0001714400000000 ] - [ -0.0001568900000000, -0.0000845900000000, 0.0003338500000000 ] - [ 0.0070125300000000, -0.0008858900000000, -0.0061617500000000 ] - [ 0.0000772400000000, -0.0000037100000000, 0.0005338000000000 ] - [ 0.0000522600000000, -0.0001697500000000, -0.0001289500000000 ] - [ 0.0001193400000000, -0.0001098900000000, 0.0000393500000000 ] - [ 0.0006051500000000, 0.0010706600000000, 0.0005540100000000 ] - [ -0.0001243600000000, 0.0001410300000000, 0.0005344900000000 ] - [ -0.0003760500000000, 0.0002426200000000, -0.0003139500000000 ] - [ -0.0000120100000000, 0.0002426600000000, 0.0003779000000000 ] - [ 0.0002646300000000, -0.0005629000000000, -0.0000522900000000 ] - [ -0.0000324200000000, -0.0001598200000000, 0.0001992800000000 ] - [ -0.0005899800000000, 0.0051224400000000, -0.0049655900000000 ] - [ -0.0001402400000000, -0.0000752700000000, 0.0003028900000000 ] - [ 0.0000854600000000, -0.0001383900000000, -0.0004239000000000 ] - [ -0.0001221900000000, 0.0001890500000000, 0.0003045200000000 ] - [ -0.0000818200000000, 0.0000409000000000, 0.0000266900000000 ] - [ 0.0001447400000000, 0.0002281200000000, 0.0000964800000000 ] - [ 0.0001024800000000, -0.0002034800000000, -0.0001958000000000 ] - [ 0.0000185700000000, -0.0001743700000000, 0.0001471200000000 ] - [ -0.0000237300000000, 0.0001056600000000, -0.0002051800000000 ] - [ -0.0000212800000000, -0.0003105500000000, 0.0001408200000000 ] - [ -0.0000758300000000, 0.0002094300000000, -0.0000899200000000 ] - [ -0.0000050800000000, 0.0002083100000000, 0.0000206000000000 ] - [ -0.0000347600000000, 0.0001720500000000, -0.0001684600000000 ] - [ -0.0000002900000000, 0.0002297300000000, 0.0001806200000000 ] - [ -0.0003689600000000, 0.0000258100000000, 0.0000211100000000 ] - [ 0.0002049700000000, -0.0005031000000000, 0.0002725500000000 ] - [ -0.0001706200000000, -0.0000877900000000, -0.0002595800000000 ] - [ -0.0000457400000000, -0.0002149300000000, 0.0000559000000000 ]- atom: 25 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ -0.0001652400000000, 0.0001310500000000, -0.0002093600000000 ] - [ -0.0001056500000000, 0.0001273100000000, -0.0001077200000000 ] - [ -0.0020804900000000, -0.0009528800000000, -0.0004351400000000 ] - [ -0.0001510000000000, -0.0000843400000000, -0.0001649900000000 ] - [ -0.0001017500000000, 0.0000675700000000, -0.0000037700000000 ] - [ -0.0000445400000000, 0.0000250800000000, -0.0000034100000000 ] - [ -0.0018361700000000, -0.0011218300000000, -0.0000616600000000 ] - [ 0.0000020000000000, -0.0000934300000000, -0.0002268000000000 ] - [ 0.0003680400000000, -0.0001732900000000, 0.0000506100000000 ] - [ 0.0006723600000000, -0.0001762600000000, 0.0002111000000000 ] - [ 0.0018543000000000, -0.0000371600000000, 0.0000963000000000 ] - [ 0.0001337900000000, -0.0000806000000000, -0.0001361800000000 ] - [ 0.0002156800000000, 0.0000276600000000, -0.0002181200000000 ] - [ 0.0000990800000000, -0.0002086400000000, -0.0001709900000000 ] - [ 0.0002287800000000, 0.0005005000000000, -0.0002300600000000 ] - [ -0.0000805700000000, 0.0000843400000000, 0.0002115800000000 ] - [ -0.0003494300000000, -0.0007386100000000, -0.0001277400000000 ] - [ -0.0001848600000000, -0.0002282400000000, -0.0002400000000000 ] - [ 0.0000654800000000, -0.0000388500000000, 0.0000466600000000 ] - [ -0.0001084300000000, 0.0004881100000000, 0.0003129100000000 ] - [ 0.0046960100000000, 0.0053637800000000, -0.0002352300000000 ] - [ 0.0002030100000000, 0.0003058500000000, -0.0001467800000000 ] - [ 0.0000865700000000, -0.0000042000000000, -0.0011110300000000 ] - [ -0.0004310400000000, -0.0003780100000000, 0.0001637200000000 ] - [ -0.0752792700000000, -0.0540734800000000, 0.0008003000000000 ] - [ -0.0000939400000000, 0.0001338800000000, -0.0002203000000000 ] - [ -0.0001346400000000, 0.0001971600000000, 0.0002812600000000 ] - [ -0.0012221600000000, 0.0002460600000000, 0.0001589400000000 ] - [ -0.0002468600000000, -0.0002053300000000, 0.0001472200000000 ] - [ -0.0001460600000000, -0.0002312800000000, 0.0001727900000000 ] - [ -0.0000051600000000, -0.0001713300000000, -0.0002050100000000 ] - [ -0.0000072500000000, -0.0001007400000000, -0.0002290200000000 ] - [ 0.0037110600000000, -0.0005128700000000, 0.0066612800000000 ] - [ -0.0000132800000000, 0.0000658900000000, 0.0000471000000000 ] - [ 0.0047030100000000, 0.0001100500000000, -0.0081510000000000 ] - [ -0.0003663000000000, -0.0001264000000000, 0.0000943800000000 ] - [ -0.0002584000000000, 0.0001027200000000, -0.0002175100000000 ] - [ -0.0001406600000000, 0.0000671100000000, -0.0002183300000000 ] - [ -0.0000735000000000, -0.0000008700000000, 0.0000812700000000 ] - [ -0.0000566000000000, 0.0000022800000000, 0.0001336200000000 ] - [ 0.0002500500000000, -0.0000102400000000, 0.0000346900000000 ] - [ 0.0001151300000000, 0.0000794700000000, 0.0001078300000000 ] - [ 0.0001840000000000, -0.0000184600000000, 0.0001640600000000 ] - [ 0.0000377300000000, -0.0000612700000000, 0.0000336500000000 ] - [ 0.0003572900000000, -0.0000566000000000, -0.0001121800000000 ] - [ 0.0001518900000000, -0.0001040900000000, 0.0001286000000000 ] - [ 0.0001919300000000, 0.0000496700000000, -0.0000726600000000 ] - [ 0.0000676600000000, 0.0000871600000000, 0.0001484700000000 ] - [ -0.0001995500000000, 0.0000323000000000, 0.0002734100000000 ] - [ -0.0001427900000000, 0.0000924000000000, 0.0001599800000000 ] - [ -0.0000452300000000, -0.0002125600000000, -0.0003106200000000 ] - [ 0.0000859700000000, -0.0000193400000000, -0.0002124300000000 ] - [ -0.0000474400000000, 0.0001136100000000, -0.0006663500000000 ] - [ -0.0001924300000000, -0.0006829300000000, -0.0004807900000000 ] - [ 0.0051995200000000, 0.0061723600000000, 0.0003078900000000 ] - [ -0.0001358000000000, 0.0000177600000000, 0.0001603600000000 ] - [ -0.0002503700000000, -0.0002678900000000, 0.0000058000000000 ] - [ -0.0000645400000000, -0.0002495700000000, -0.0001943100000000 ] - [ 0.0001667800000000, -0.0000983700000000, 0.0004710600000000 ] - [ 0.0003432800000000, -0.0002297400000000, 0.0001293600000000 ] - [ 0.0006090400000000, 0.0007522500000000, 0.0005303700000000 ] - [ 0.0001445900000000, 0.0002366400000000, 0.0002511600000000 ] - [ -0.0001533300000000, 0.0002207800000000, -0.0001906100000000 ] - [ -0.0000722100000000, 0.0000723000000000, -0.0002153700000000 ] - [ 0.0004487600000000, 0.0005120600000000, -0.0001678200000000 ] - [ 0.0001371200000000, 0.0002781700000000, -0.0001767400000000 ] - [ -0.0000603400000000, 0.0002928500000000, 0.0002060300000000 ] - [ -0.0000066900000000, 0.0002486400000000, 0.0002277900000000 ] - [ 0.0002425500000000, -0.0002361700000000, 0.0001059700000000 ] - [ -0.0000160300000000, -0.0002378600000000, 0.0002613200000000 ] - [ 0.0004044200000000, -0.0003626500000000, -0.0001009500000000 ] - [ 0.0004038200000000, -0.0003411000000000, -0.0001693900000000 ] - [ 0.0002374400000000, 0.0001007000000000, 0.0000855600000000 ] - [ 0.0001036600000000, 0.0000303400000000, 0.0001572000000000 ] - [ 0.0000325300000000, 0.0000651700000000, -0.0000697000000000 ] - [ -0.0000157300000000, 0.0000155200000000, -0.0001682900000000 ] - [ 0.0002191000000000, 0.0001266600000000, -0.0003375200000000 ] - [ 0.0000482900000000, -0.0000909000000000, 0.0000554800000000 ] - [ 0.0006977600000000, 0.0000813200000000, 0.0000665000000000 ] - [ 0.0002599000000000, -0.0000592600000000, 0.0001360600000000 ] - [ 0.0031492100000000, 0.0028080500000000, 0.0022930400000000 ] - [ 0.0001353700000000, 0.0003397800000000, 0.0004815900000000 ] - [ 0.0254540100000000, 0.0184910900000000, 0.0237838500000000 ] - [ 0.0001916500000000, 0.0001941600000000, 0.0000529100000000 ] - [ 0.0001659100000000, -0.0001612600000000, -0.0000005000000000 ] - [ 0.0002371400000000, -0.0002354500000000, -0.0001102900000000 ] - [ 0.0003898700000000, -0.0001858900000000, 0.0000966700000000 ] - [ 0.0000672800000000, -0.0001215000000000, 0.0001551100000000 ] - [ 0.0006087000000000, -0.0000629300000000, 0.0003203900000000 ] - [ 0.0002678600000000, -0.0001637900000000, 0.0000046300000000 ] - [ 0.0002513300000000, -0.0002669300000000, 0.0003339500000000 ] - [ 0.0000530700000000, -0.0002604900000000, 0.0002445400000000 ] - [ 0.0283326400000000, 0.0237271400000000, -0.0246440600000000 ] - [ 0.0001294400000000, 0.0000178600000000, 0.0001724700000000 ] - [ 0.0034475200000000, 0.0026778800000000, -0.0019700500000000 ] - [ 0.0004436000000000, -0.0000493100000000, 0.0002430400000000 ] - [ -0.0003252400000000, -0.0000337000000000, 0.0001487600000000 ] - [ -0.0001720000000000, 0.0000340100000000, 0.0001291000000000 ] - [ -0.0004348700000000, -0.0002266400000000, 0.0002560600000000 ] - [ -0.0000129400000000, -0.0000352600000000, -0.0001457500000000 ] - [ -0.0004222000000000, -0.0000983900000000, -0.0000750800000000 ] - [ -0.0004967100000000, 0.0003687300000000, -0.0001032400000000 ] - [ -0.0008311500000000, -0.0003989200000000, 0.0006516400000000 ] - [ -0.0001844000000000, 0.0001555100000000, -0.0001068000000000 ] - [ -0.0002401200000000, 0.0001558000000000, 0.0002460700000000 ] - [ -0.0000317800000000, -0.0000375100000000, -0.0001284300000000 ] - [ -0.0005504800000000, -0.0002161500000000, 0.0002652200000000 ] - [ -0.0003857000000000, -0.0002764600000000, -0.0001526300000000 ] - [ -0.0005072200000000, -0.0001512600000000, -0.0002932600000000 ] - [ -0.0001880000000000, 0.0001133700000000, 0.0000590400000000 ] - [ -0.0001882700000000, 0.0000319600000000, -0.0002004600000000 ] - [ 0.0001341200000000, 0.0000730900000000, -0.0000870100000000 ] - [ -0.0011324200000000, 0.0002354400000000, 0.0003370700000000 ] - [ -0.0000713500000000, 0.0001572100000000, -0.0001502700000000 ] - [ -0.0002985000000000, 0.0006562700000000, -0.0002578000000000 ] - [ -0.0002377600000000, 0.0000661600000000, 0.0000490400000000 ] - [ -0.0002172500000000, 0.0001121100000000, 0.0001096400000000 ] - [ -0.0000199700000000, -0.0001089700000000, -0.0000944100000000 ] - [ -0.0001478900000000, -0.0002938800000000, -0.0003445800000000 ] - [ -0.0001547200000000, -0.0002303700000000, 0.0000059900000000 ] - [ 0.0000681000000000, 0.0003279200000000, -0.0000449500000000 ] - [ -0.0000159400000000, 0.0003327800000000, 0.0000061800000000 ] - [ 0.0004752800000000, -0.0006362400000000, 0.0007075000000000 ] - [ 0.0001139100000000, 0.0001289600000000, 0.0000076300000000 ] - [ -0.0001518200000000, 0.0002340800000000, 0.0007866300000000 ] - [ -0.0001357800000000, -0.0005486400000000, 0.0008499000000000 ] - [ 0.0003301300000000, 0.0001863600000000, -0.0002795100000000 ] - [ 0.0000571000000000, -0.0002569400000000, -0.0001339200000000 ] - [ 0.0004203400000000, -0.0008625700000000, -0.0005751300000000 ] - [ -0.0000054100000000, 0.0001334400000000, 0.0000133800000000 ] - [ 0.0000325100000000, 0.0002819100000000, -0.0000148900000000 ] - [ 0.0000454800000000, 0.0000421000000000, 0.0000631900000000 ] - [ 0.0009077000000000, -0.0005211700000000, -0.0002516400000000 ] - [ -0.0000268600000000, -0.0000946600000000, 0.0001313700000000 ] - [ -0.0002104700000000, -0.0003548900000000, 0.0005048000000000 ] - [ 0.0002038200000000, -0.0001666000000000, -0.0001141500000000 ] - [ -0.0003877800000000, 0.0005087200000000, -0.0000035600000000 ] - [ 0.0000834100000000, 0.0003027300000000, -0.0001080500000000 ] - [ -0.0010002100000000, 0.0003030500000000, -0.0002767800000000 ] - [ 0.0000422200000000, 0.0002091200000000, 0.0000230000000000 ] - [ -0.0000513300000000, -0.0002495600000000, 0.0001437800000000 ] - [ 0.0000525400000000, -0.0002735200000000, -0.0000321700000000 ] - [ -0.0000655800000000, -0.0002555100000000, -0.0000808400000000 ] - [ -0.0000827500000000, -0.0002183200000000, -0.0000607300000000 ]- atom: 25 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ 0.0001621400000000, 0.0000420500000000, 0.0002072700000000 ] - [ 0.0001061600000000, 0.0000500500000000, 0.0001080300000000 ] - [ 0.0020745100000000, 0.0007719900000000, 0.0004517900000000 ] - [ 0.0001511700000000, -0.0000936800000000, 0.0001660900000000 ] - [ 0.0001008400000000, -0.0001037000000000, 0.0000029900000000 ] - [ 0.0000451700000000, -0.0000613200000000, 0.0000051800000000 ] - [ 0.0018329100000000, 0.0011785400000000, 0.0000951200000000 ] - [ -0.0000040400000000, 0.0001296000000000, 0.0002268000000000 ] - [ -0.0005657000000000, 0.0000949000000000, 0.0003432900000000 ] - [ -0.0008661600000000, 0.0000990700000000, 0.0001828700000000 ] - [ -0.0016701600000000, -0.0000410800000000, -0.0004967700000000 ] - [ 0.0000669500000000, 0.0000041800000000, -0.0002591000000000 ] - [ -0.0000157200000000, 0.0000503100000000, -0.0001759700000000 ] - [ 0.0001038800000000, 0.0002851700000000, -0.0002252700000000 ] - [ -0.0004284500000000, -0.0004208800000000, 0.0006219900000000 ] - [ -0.0001197600000000, -0.0000069000000000, 0.0001835800000000 ] - [ 0.0000871200000000, 0.0002915200000000, -0.0002800800000000 ] - [ -0.0000816600000000, -0.0002219000000000, -0.0001659000000000 ] - [ 0.0001990600000000, -0.0004104000000000, 0.0003603000000000 ] - [ 0.0003732300000000, -0.0009241500000000, 0.0000951000000000 ] - [ -0.0043546000000000, -0.0048284900000000, 0.0006465300000000 ] - [ 0.0000635700000000, 0.0001448200000000, 0.0005518100000000 ] - [ -0.0003545600000000, 0.0004569400000000, 0.0007136500000000 ] - [ 0.0001670500000000, 0.0008321700000000, -0.0005703600000000 ] - [ 0.0754612000000000, 0.0543181400000000, 0.0004213800000000 ] - [ 0.0003129100000000, 0.0003499200000000, -0.0001683700000000 ] - [ -0.0000929200000000, 0.0002891800000000, 0.0001041700000000 ] - [ 0.0009991200000000, 0.0002382800000000, 0.0002291400000000 ] - [ 0.0000237200000000, -0.0002789100000000, 0.0002394600000000 ] - [ -0.0000748700000000, -0.0002535700000000, 0.0002158200000000 ] - [ 0.0002271800000000, -0.0003148400000000, -0.0001805800000000 ] - [ 0.0002269300000000, -0.0003838500000000, -0.0001622600000000 ] - [ -0.0036115100000000, 0.0005190400000000, -0.0064476200000000 ] - [ 0.0001550400000000, -0.0000701100000000, 0.0002502600000000 ] - [ -0.0047673100000000, -0.0001250600000000, 0.0077359800000000 ] - [ 0.0002252000000000, 0.0001243500000000, -0.0003857500000000 ] - [ 0.0001187300000000, -0.0000990500000000, -0.0000788500000000 ] - [ -0.0000003000000000, -0.0000642900000000, -0.0000765800000000 ] - [ 0.0002175700000000, 0.0000039400000000, 0.0002141700000000 ] - [ 0.0001950000000000, 0.0000007300000000, 0.0001618700000000 ] - [ -0.0002500900000000, 0.0001852500000000, -0.0000358200000000 ] - [ -0.0001149000000000, 0.0000966200000000, -0.0001086800000000 ] - [ -0.0001843000000000, -0.0001582800000000, -0.0001638600000000 ] - [ -0.0000385200000000, -0.0001152000000000, -0.0000334900000000 ] - [ -0.0003579900000000, 0.0000176800000000, 0.0001119800000000 ] - [ -0.0001519100000000, 0.0000668700000000, -0.0001274500000000 ] - [ -0.0001932400000000, -0.0000121800000000, 0.0000727000000000 ] - [ -0.0000661400000000, -0.0000488500000000, -0.0001487900000000 ] - [ -0.0000014900000000, -0.0001065600000000, 0.0001241000000000 ] - [ -0.0000560900000000, -0.0001691100000000, 0.0002326700000000 ] - [ 0.0002474500000000, 0.0001510800000000, -0.0000851800000000 ] - [ 0.0001134400000000, -0.0000575600000000, -0.0001816000000000 ] - [ 0.0002513800000000, -0.0000403200000000, 0.0002691200000000 ] - [ 0.0003891900000000, 0.0007522200000000, 0.0000851300000000 ] - [ -0.0054737200000000, -0.0061764600000000, 0.0000874500000000 ] - [ -0.0000629400000000, 0.0000595700000000, 0.0002336800000000 ] - [ -0.0000237500000000, -0.0001849600000000, -0.0004088000000000 ] - [ -0.0002011700000000, -0.0002013500000000, -0.0002114000000000 ] - [ 0.0001010100000000, -0.0003533300000000, -0.0000646100000000 ] - [ -0.0000760400000000, -0.0002225100000000, 0.0002770200000000 ] - [ -0.0003413400000000, -0.0003031100000000, -0.0001240100000000 ] - [ 0.0001211100000000, 0.0002133900000000, 0.0001548800000000 ] - [ -0.0001151200000000, 0.0002311500000000, -0.0002173200000000 ] - [ -0.0001949900000000, 0.0003765900000000, -0.0001899100000000 ] - [ -0.0002283700000000, -0.0000273600000000, -0.0002219000000000 ] - [ 0.0000848600000000, 0.0002081700000000, -0.0002114500000000 ] - [ -0.0001613300000000, 0.0001936500000000, 0.0001819400000000 ] - [ -0.0002158900000000, 0.0002378200000000, 0.0001592800000000 ] - [ -0.0004652100000000, -0.0002507200000000, 0.0002827600000000 ] - [ -0.0002060900000000, -0.0002485900000000, 0.0001269300000000 ] - [ -0.0001830300000000, -0.0001223600000000, -0.0002857200000000 ] - [ -0.0001805100000000, -0.0001460200000000, -0.0002182200000000 ] - [ -0.0000965400000000, -0.0001031500000000, 0.0002105300000000 ] - [ 0.0000360300000000, -0.0000301500000000, 0.0001368600000000 ] - [ -0.0001694700000000, -0.0000652700000000, -0.0002234900000000 ] - [ -0.0001249300000000, -0.0000177000000000, -0.0001267100000000 ] - [ -0.0003599300000000, -0.0001261000000000, 0.0000438600000000 ] - [ -0.0001869100000000, 0.0000921400000000, -0.0003500500000000 ] - [ -0.0005463900000000, -0.0000806900000000, 0.0002301700000000 ] - [ -0.0001203300000000, 0.0000609400000000, 0.0001586200000000 ] - [ -0.0031623100000000, -0.0026782500000000, -0.0020859500000000 ] - [ -0.0001753000000000, -0.0002328900000000, -0.0002677000000000 ] - [ -0.0257917500000000, -0.0191136900000000, -0.0247283900000000 ] - [ -0.0001467600000000, -0.0000883100000000, -0.0002665200000000 ] - [ -0.0001209400000000, 0.0000551000000000, -0.0002169900000000 ] - [ -0.0001941400000000, 0.0001318600000000, -0.0001021000000000 ] - [ -0.0004384400000000, 0.0000787200000000, 0.0001265800000000 ] - [ -0.0001107600000000, 0.0000171700000000, 0.0000600800000000 ] - [ -0.0003374200000000, -0.0001936900000000, -0.0004731000000000 ] - [ 0.0000094600000000, -0.0000923800000000, -0.0001541500000000 ] - [ -0.0005177700000000, 0.0000089300000000, -0.0001749800000000 ] - [ -0.0003273400000000, 0.0000044800000000, -0.0000971800000000 ] - [ -0.0281604400000000, -0.0225458600000000, 0.0240285400000000 ] - [ -0.0004035400000000, 0.0002382600000000, -0.0000224600000000 ] - [ -0.0031888200000000, -0.0024355000000000, 0.0018137800000000 ] - [ -0.0001712900000000, 0.0003075500000000, -0.0003917300000000 ] - [ 0.0002801700000000, 0.0001364100000000, 0.0000661800000000 ] - [ 0.0001270400000000, 0.0000683800000000, 0.0000870100000000 ] - [ 0.0004805200000000, 0.0003296700000000, -0.0004714000000000 ] - [ 0.0000551800000000, 0.0001353300000000, -0.0000667900000000 ] - [ 0.0004662800000000, -0.0000025300000000, -0.0001344100000000 ] - [ 0.0005395500000000, -0.0004714200000000, -0.0001089500000000 ] - [ 0.0007928900000000, 0.0003022200000000, -0.0004433400000000 ] - [ 0.0001424600000000, -0.0002559500000000, 0.0003184500000000 ] - [ 0.0005200000000000, -0.0004080200000000, -0.0003939600000000 ] - [ 0.0003080300000000, -0.0002160600000000, -0.0000199600000000 ] - [ 0.0002737900000000, -0.0000353000000000, -0.0001171700000000 ] - [ 0.0001095900000000, 0.0000229900000000, 0.0003033000000000 ] - [ 0.0002293100000000, 0.0004059600000000, 0.0004439000000000 ] - [ -0.0000876700000000, 0.0001422400000000, 0.0000913800000000 ] - [ 0.0004644200000000, 0.0002227300000000, 0.0000518500000000 ] - [ 0.0001437300000000, 0.0001803300000000, -0.0000592600000000 ] - [ 0.0011000200000000, 0.0000449000000000, -0.0003805000000000 ] - [ 0.0000414400000000, 0.0001252800000000, 0.0001051100000000 ] - [ 0.0003291800000000, -0.0003775900000000, 0.0003038400000000 ] - [ 0.0002675000000000, 0.0002163600000000, -0.0000052600000000 ] - [ 0.0002470100000000, -0.0003978500000000, -0.0000654700000000 ] - [ 0.0000494500000000, -0.0001743800000000, 0.0001380600000000 ] - [ 0.0001168300000000, 0.0000085500000000, 0.0002982100000000 ] - [ 0.0001246700000000, -0.0000535100000000, -0.0000504000000000 ] - [ -0.0001573700000000, 0.0000836500000000, -0.0000753300000000 ] - [ -0.0000731500000000, 0.0000774900000000, -0.0001259800000000 ] - [ -0.0003833600000000, 0.0010439800000000, -0.0005841100000000 ] - [ -0.0000250500000000, 0.0002822400000000, 0.0001111000000000 ] - [ 0.0002286300000000, -0.0006517100000000, -0.0006629100000000 ] - [ 0.0002230500000000, 0.0001323000000000, -0.0007242900000000 ] - [ -0.0004787300000000, -0.0005751900000000, 0.0001768800000000 ] - [ -0.0001452700000000, -0.0001553000000000, 0.0000139000000000 ] - [ -0.0004527300000000, 0.0011459900000000, 0.0005342700000000 ] - [ -0.0000239100000000, 0.0001496800000000, -0.0000578200000000 ] - [ -0.0000009700000000, 0.0000017700000000, 0.0000565700000000 ] - [ -0.0000157700000000, 0.0002407300000000, -0.0000182300000000 ] - [ -0.0008729100000000, 0.0002172500000000, 0.0002870700000000 ] - [ 0.0000561800000000, -0.0001874900000000, -0.0000870600000000 ] - [ 0.0001793600000000, 0.0000718100000000, -0.0005486200000000 ] - [ -0.0002352100000000, -0.0001154300000000, 0.0000660800000000 ] - [ 0.0002984200000000, -0.0000921900000000, -0.0001156400000000 ] - [ -0.0001707800000000, 0.0001110300000000, -0.0000105600000000 ] - [ 0.0010858100000000, 0.0001110500000000, 0.0003973100000000 ] - [ 0.0000456000000000, 0.0002039000000000, 0.0000960500000000 ] - [ 0.0001390400000000, -0.0001626900000000, -0.0000242700000000 ] - [ 0.0000348400000000, -0.0001388400000000, 0.0001512300000000 ] - [ -0.0000189100000000, -0.0001580300000000, -0.0000375500000000 ] - [ -0.0000051000000000, -0.0001942600000000, -0.0000586200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000677800000000, 0.0005788000000000, -0.0000904000000000 ] - [ -0.0000886800000000, 0.0002327000000000, -0.0001385100000000 ] - [ -0.0001950700000000, 0.0038026400000000, -0.0074608400000000 ] - [ -0.0000471600000000, -0.0002043100000000, -0.0000713600000000 ] - [ 0.0001394000000000, 0.0002637400000000, -0.0002195600000000 ] - [ -0.0000495300000000, 0.0001842300000000, 0.0000385100000000 ] - [ -0.0001098800000000, 0.0043756600000000, 0.0074130700000000 ] - [ -0.0000739300000000, -0.0000693100000000, -0.0001261500000000 ] - [ -0.0000019600000000, -0.0001671500000000, 0.0001291600000000 ] - [ 0.0003108500000000, -0.0002874000000000, 0.0001666800000000 ] - [ -0.0001858300000000, -0.0001910100000000, -0.0002771000000000 ] - [ 0.0000729700000000, -0.0001307800000000, -0.0001951500000000 ] - [ 0.0001250100000000, 0.0001356000000000, -0.0001646200000000 ] - [ -0.0001658800000000, 0.0000978800000000, -0.0001855600000000 ] - [ 0.0003648600000000, 0.0003976400000000, -0.0002431200000000 ] - [ -0.0000636700000000, 0.0001563400000000, 0.0001731800000000 ] - [ -0.0001967200000000, -0.0003465100000000, 0.0000437100000000 ] - [ -0.0001445000000000, -0.0002168600000000, -0.0002193200000000 ] - [ 0.0002943100000000, -0.0001653100000000, -0.0000717200000000 ] - [ -0.0000074300000000, 0.0005797500000000, 0.0003904700000000 ] - [ 0.0055465500000000, 0.0048506400000000, -0.0003010600000000 ] - [ 0.0001144900000000, 0.0001985700000000, 0.0001675600000000 ] - [ -0.0000692100000000, 0.0001735000000000, -0.0000854700000000 ] - [ -0.0008347800000000, 0.0000558000000000, -0.0005778800000000 ] - [ -0.0542167200000000, -0.0739938800000000, 0.0012019500000000 ] - [ 0.0000039900000000, 0.0001680300000000, -0.0001852600000000 ] - [ -0.0000656300000000, -0.0000880300000000, 0.0001597300000000 ] - [ -0.0001177300000000, -0.0009297400000000, 0.0000935900000000 ] - [ -0.0000780300000000, 0.0001308900000000, 0.0001029700000000 ] - [ -0.0001013000000000, -0.0001385100000000, 0.0001589100000000 ] - [ -0.0000337400000000, 0.0000650100000000, -0.0002851100000000 ] - [ 0.0000389400000000, 0.0000644100000000, -0.0001822000000000 ] - [ -0.0012732600000000, -0.0017947700000000, 0.0001222600000000 ] - [ 0.0001328200000000, -0.0000558400000000, 0.0000619000000000 ] - [ -0.0007514700000000, -0.0021180800000000, -0.0006274100000000 ] - [ -0.0002954100000000, -0.0001536700000000, 0.0000743300000000 ] - [ -0.0000885700000000, 0.0003369700000000, -0.0002958400000000 ] - [ -0.0000880900000000, 0.0001230000000000, -0.0002211700000000 ] - [ 0.0000017800000000, 0.0002399600000000, 0.0001707400000000 ] - [ -0.0000136600000000, 0.0001587300000000, 0.0001281000000000 ] - [ 0.0000285500000000, -0.0000727300000000, -0.0000479400000000 ] - [ 0.0000616800000000, 0.0000074900000000, 0.0000741800000000 ] - [ 0.0000863100000000, 0.0000622800000000, 0.0000861200000000 ] - [ -0.0000329300000000, 0.0000444700000000, -0.0000284800000000 ] - [ 0.0000842800000000, -0.0002118500000000, -0.0000564200000000 ] - [ 0.0000419400000000, -0.0001798400000000, 0.0000580400000000 ] - [ 0.0000898900000000, 0.0001746700000000, -0.0000423200000000 ] - [ 0.0000278900000000, 0.0001478400000000, 0.0001008800000000 ] - [ -0.0002159900000000, 0.0004315800000000, 0.0003747800000000 ] - [ -0.0000991900000000, 0.0001836200000000, 0.0001472200000000 ] - [ 0.0001132000000000, 0.0016730900000000, 0.0002081600000000 ] - [ 0.0001050500000000, 0.0000782400000000, -0.0002080400000000 ] - [ 0.0000065400000000, 0.0000373100000000, -0.0002446000000000 ] - [ -0.0005376100000000, -0.0003812600000000, 0.0000973200000000 ] - [ 0.0060377000000000, 0.0052659100000000, 0.0003931500000000 ] - [ -0.0001568300000000, -0.0000888900000000, 0.0002196900000000 ] - [ -0.0006082200000000, -0.0004557700000000, -0.0001048100000000 ] - [ -0.0001472100000000, -0.0002670500000000, -0.0001858000000000 ] - [ 0.0003408700000000, -0.0003387200000000, 0.0003434200000000 ] - [ 0.0002875300000000, -0.0002597200000000, 0.0001663300000000 ] - [ 0.0006733000000000, 0.0006764600000000, 0.0005260800000000 ] - [ 0.0002074200000000, 0.0002963700000000, 0.0002678700000000 ] - [ -0.0003001100000000, 0.0003979600000000, -0.0003540800000000 ] - [ -0.0002989300000000, 0.0002685000000000, -0.0001795500000000 ] - [ 0.0003814200000000, 0.0005938100000000, -0.0001821600000000 ] - [ 0.0001464300000000, 0.0003371600000000, -0.0001762300000000 ] - [ -0.0001604400000000, 0.0003855300000000, 0.0001791800000000 ] - [ -0.0001149900000000, 0.0003555000000000, 0.0002212300000000 ] - [ -0.0001027600000000, -0.0003788300000000, 0.0001649700000000 ] - [ -0.0001037100000000, -0.0002880600000000, 0.0002296700000000 ] - [ 0.0002106500000000, -0.0003521800000000, -0.0001611000000000 ] - [ 0.0002313300000000, -0.0003511200000000, -0.0001816400000000 ] - [ 0.0001197200000000, 0.0001861700000000, 0.0000295300000000 ] - [ 0.0000114900000000, 0.0001482500000000, 0.0000526700000000 ] - [ -0.0000293000000000, 0.0001894900000000, -0.0000003300000000 ] - [ -0.0000339700000000, 0.0000980300000000, -0.0001088300000000 ] - [ 0.0000109200000000, -0.0001006300000000, -0.0001356600000000 ] - [ -0.0000246800000000, -0.0001330800000000, -0.0000306500000000 ] - [ 0.0001486800000000, -0.0001871300000000, -0.0000675600000000 ] - [ 0.0001060600000000, -0.0000798600000000, 0.0001245700000000 ] - [ 0.0024101700000000, 0.0031621200000000, -0.0016153100000000 ] - [ 0.0002660300000000, 0.0002509800000000, 0.0003273300000000 ] - [ 0.0194533300000000, 0.0233755700000000, 0.0224268500000000 ] - [ 0.0000958300000000, 0.0002346900000000, 0.0000050500000000 ] - [ -0.0000828600000000, -0.0004741500000000, 0.0001082500000000 ] - [ 0.0004139700000000, -0.0006000500000000, -0.0001796700000000 ] - [ -0.0003590500000000, -0.0009028500000000, 0.0006329100000000 ] - [ 0.0000585300000000, -0.0002693100000000, 0.0001160500000000 ] - [ 0.0004109000000000, -0.0005802800000000, 0.0001857500000000 ] - [ 0.0002995400000000, -0.0002847600000000, 0.0000759300000000 ] - [ -0.0001860000000000, -0.0006189100000000, 0.0001415100000000 ] - [ -0.0002338000000000, -0.0004254800000000, 0.0002926800000000 ] - [ 0.0221045000000000, 0.0303939200000000, -0.0250107100000000 ] - [ 0.0000240600000000, 0.0000610600000000, 0.0000342100000000 ] - [ 0.0030308700000000, 0.0035180700000000, 0.0023081100000000 ] - [ -0.0000340800000000, 0.0005388900000000, -0.0000223900000000 ] - [ -0.0000849700000000, -0.0003429800000000, -0.0000551800000000 ] - [ -0.0000925700000000, -0.0001382800000000, 0.0001260000000000 ] - [ -0.0002762900000000, -0.0004193300000000, 0.0002823900000000 ] - [ 0.0000826900000000, -0.0001333600000000, -0.0001321000000000 ] - [ -0.0000498400000000, 0.0002864500000000, -0.0000165200000000 ] - [ -0.0001640700000000, 0.0002054300000000, -0.0001111400000000 ] - [ -0.0001264100000000, 0.0003965200000000, 0.0000621800000000 ] - [ -0.0000486400000000, 0.0001304800000000, 0.0000273800000000 ] - [ 0.0002071800000000, 0.0003656200000000, 0.0003191400000000 ] - [ 0.0000781000000000, -0.0000279000000000, -0.0001176200000000 ] - [ -0.0002485900000000, 0.0000110500000000, 0.0001318800000000 ] - [ -0.0002781300000000, 0.0001212800000000, -0.0000906800000000 ] - [ -0.0003874500000000, -0.0002586900000000, -0.0002664000000000 ] - [ -0.0002052800000000, -0.0000571900000000, 0.0000814800000000 ] - [ 0.0000303300000000, -0.0001468400000000, -0.0000667400000000 ] - [ 0.0002991400000000, -0.0001687400000000, -0.0000333200000000 ] - [ -0.0009041600000000, 0.0005718000000000, 0.0007063100000000 ] - [ -0.0000366800000000, 0.0001517300000000, -0.0001329400000000 ] - [ 0.0002005300000000, 0.0001782400000000, -0.0000467600000000 ] - [ -0.0000575800000000, 0.0001439900000000, -0.0000011600000000 ] - [ -0.0000149900000000, -0.0001954100000000, -0.0000158800000000 ] - [ 0.0000352700000000, -0.0001689200000000, 0.0001000600000000 ] - [ -0.0001424800000000, -0.0002803400000000, -0.0003644400000000 ] - [ -0.0000903000000000, -0.0001718000000000, 0.0000533500000000 ] - [ 0.0004553500000000, -0.0001764200000000, 0.0000022000000000 ] - [ -0.0000413300000000, 0.0001776600000000, -0.0000672000000000 ] - [ 0.0001347100000000, -0.0008907000000000, 0.0004573600000000 ] - [ 0.0000815800000000, 0.0001684400000000, -0.0000339700000000 ] - [ 0.0006992100000000, -0.0000439900000000, 0.0011600100000000 ] - [ -0.0000300100000000, -0.0000283600000000, 0.0001982900000000 ] - [ -0.0004374100000000, 0.0004946600000000, -0.0003625700000000 ] - [ -0.0000848600000000, -0.0001219400000000, 0.0000804200000000 ] - [ 0.0001018000000000, -0.0008798900000000, -0.0003391100000000 ] - [ 0.0000158200000000, 0.0000935300000000, -0.0000381700000000 ] - [ 0.0003470300000000, -0.0001199200000000, -0.0002031400000000 ] - [ -0.0000352200000000, 0.0000814600000000, 0.0001287700000000 ] - [ 0.0002765000000000, 0.0000038900000000, -0.0005040000000000 ] - [ 0.0000598100000000, -0.0001805100000000, -0.0000421900000000 ] - [ -0.0002219400000000, -0.0003365800000000, 0.0004425400000000 ] - [ -0.0003619000000000, -0.0001461200000000, -0.0008283400000000 ] - [ 0.0000532900000000, 0.0002798200000000, -0.0000587500000000 ] - [ 0.0000017300000000, 0.0003611400000000, -0.0000345900000000 ] - [ -0.0009725700000000, 0.0006421400000000, -0.0004340200000000 ] - [ 0.0000015300000000, 0.0002608200000000, 0.0000146600000000 ] - [ -0.0000089200000000, -0.0002789300000000, 0.0001362200000000 ] - [ -0.0000511400000000, -0.0003474300000000, 0.0000045300000000 ] - [ 0.0002198600000000, -0.0004354900000000, -0.0000086900000000 ] - [ -0.0000475700000000, -0.0002419800000000, -0.0000769700000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000684700000000, -0.0003927600000000, 0.0000901900000000 ] - [ 0.0000895100000000, -0.0000546500000000, 0.0001376300000000 ] - [ 0.0001751600000000, -0.0039204900000000, 0.0073536700000000 ] - [ 0.0000467600000000, 0.0000263700000000, 0.0000721100000000 ] - [ -0.0001424600000000, -0.0003015100000000, 0.0002227700000000 ] - [ 0.0000499300000000, -0.0002211000000000, -0.0000391600000000 ] - [ 0.0001139100000000, -0.0043880000000000, -0.0075126100000000 ] - [ 0.0000738500000000, 0.0001067700000000, 0.0001250500000000 ] - [ -0.0001982500000000, 0.0000897900000000, 0.0002671800000000 ] - [ -0.0005009900000000, 0.0002074900000000, 0.0002267000000000 ] - [ 0.0003990600000000, 0.0001130800000000, -0.0001158800000000 ] - [ 0.0001247400000000, 0.0000513800000000, -0.0001980800000000 ] - [ 0.0000757400000000, -0.0000593000000000, -0.0002306500000000 ] - [ 0.0003639500000000, -0.0000223700000000, -0.0002088300000000 ] - [ -0.0005631500000000, -0.0003202800000000, 0.0006362600000000 ] - [ -0.0001343600000000, -0.0000780200000000, 0.0002208900000000 ] - [ -0.0000709500000000, -0.0001118900000000, -0.0004461900000000 ] - [ -0.0001210400000000, -0.0002331800000000, -0.0001864700000000 ] - [ -0.0000293400000000, -0.0002842700000000, 0.0004748700000000 ] - [ 0.0002710100000000, -0.0010175700000000, 0.0000157400000000 ] - [ -0.0051935100000000, -0.0043206000000000, 0.0007120100000000 ] - [ 0.0001486100000000, 0.0002490700000000, 0.0002370800000000 ] - [ -0.0001940000000000, 0.0002738600000000, -0.0003279200000000 ] - [ 0.0005644900000000, 0.0003884500000000, 0.0001740400000000 ] - [ 0.0541812300000000, 0.0743212900000000, 0.0000028600000000 ] - [ 0.0002171100000000, 0.0003182300000000, -0.0002050700000000 ] - [ -0.0001582500000000, 0.0005757000000000, 0.0002284700000000 ] - [ -0.0001052300000000, 0.0014130300000000, 0.0002976100000000 ] - [ -0.0001457600000000, -0.0006182100000000, 0.0002867300000000 ] - [ -0.0001194400000000, -0.0003463100000000, 0.0002295900000000 ] - [ 0.0002553700000000, -0.0005504300000000, -0.0001039900000000 ] - [ 0.0001816600000000, -0.0005487100000000, -0.0002069900000000 ] - [ 0.0014301900000000, 0.0017904600000000, 0.0002035500000000 ] - [ 0.0000079500000000, 0.0000540600000000, 0.0002331000000000 ] - [ 0.0006046600000000, 0.0021082500000000, 0.0003463000000000 ] - [ 0.0001511700000000, 0.0001519100000000, -0.0003652300000000 ] - [ -0.0000550400000000, -0.0003365700000000, 0.0000014600000000 ] - [ -0.0000530000000000, -0.0001216900000000, -0.0000733500000000 ] - [ 0.0001373100000000, -0.0002383500000000, 0.0001245300000000 ] - [ 0.0001536400000000, -0.0001572600000000, 0.0001667000000000 ] - [ -0.0000294900000000, 0.0002525500000000, 0.0000471300000000 ] - [ -0.0000622100000000, 0.0001708700000000, -0.0000752500000000 ] - [ -0.0000864900000000, -0.0002385100000000, -0.0000853800000000 ] - [ 0.0000338500000000, -0.0002227200000000, 0.0000304000000000 ] - [ -0.0000820700000000, 0.0001741700000000, 0.0000552000000000 ] - [ -0.0000411700000000, 0.0001430400000000, -0.0000569400000000 ] - [ -0.0000896200000000, -0.0001391700000000, 0.0000417600000000 ] - [ -0.0000274700000000, -0.0001106000000000, -0.0001002900000000 ] - [ 0.0000182000000000, -0.0005111700000000, 0.0000192900000000 ] - [ -0.0001008900000000, -0.0002613000000000, 0.0002459000000000 ] - [ 0.0000842700000000, -0.0017667700000000, -0.0006093100000000 ] - [ 0.0000943200000000, -0.0001556800000000, -0.0001865600000000 ] - [ 0.0001950200000000, 0.0000374400000000, -0.0001528900000000 ] - [ 0.0007393800000000, 0.0004623900000000, -0.0004907600000000 ] - [ -0.0063184900000000, -0.0052610200000000, 0.0000013400000000 ] - [ -0.0000416000000000, 0.0001675000000000, 0.0001739800000000 ] - [ 0.0003464200000000, 0.0000100800000000, -0.0003022200000000 ] - [ -0.0001157700000000, -0.0001808900000000, -0.0002177000000000 ] - [ -0.0000764700000000, -0.0001091500000000, 0.0000628800000000 ] - [ -0.0000221900000000, -0.0001889000000000, 0.0002375500000000 ] - [ -0.0004097800000000, -0.0002253100000000, -0.0001211100000000 ] - [ 0.0000579400000000, 0.0001539700000000, 0.0001377900000000 ] - [ 0.0000371300000000, 0.0000501600000000, -0.0000496300000000 ] - [ 0.0000350600000000, 0.0001816500000000, -0.0002253300000000 ] - [ -0.0001605800000000, -0.0001089500000000, -0.0002069700000000 ] - [ 0.0000749000000000, 0.0001486600000000, -0.0002131100000000 ] - [ -0.0000603800000000, 0.0001000700000000, 0.0002095000000000 ] - [ -0.0001074700000000, 0.0001310700000000, 0.0001671300000000 ] - [ -0.0001161600000000, -0.0001067200000000, 0.0002227800000000 ] - [ -0.0001176700000000, -0.0001976800000000, 0.0001615500000000 ] - [ 0.0000128100000000, -0.0001342900000000, -0.0002242500000000 ] - [ -0.0000105400000000, -0.0001346800000000, -0.0002097000000000 ] - [ 0.0000218900000000, -0.0001869700000000, 0.0002645900000000 ] - [ 0.0001304800000000, -0.0001510500000000, 0.0002436800000000 ] - [ -0.0001097900000000, -0.0001920800000000, -0.0002955400000000 ] - [ -0.0001056600000000, -0.0001000900000000, -0.0001859500000000 ] - [ -0.0001508900000000, 0.0001043400000000, -0.0001620600000000 ] - [ -0.0001152200000000, 0.0001355900000000, -0.0002645000000000 ] - [ -0.0000135100000000, 0.0001874000000000, 0.0003627200000000 ] - [ 0.0000353800000000, 0.0000811100000000, 0.0001692400000000 ] - [ -0.0024629100000000, -0.0030722900000000, 0.0018225600000000 ] - [ -0.0003066600000000, -0.0001424100000000, -0.0001133500000000 ] - [ -0.0201223800000000, -0.0235691700000000, -0.0232971100000000 ] - [ -0.0000533900000000, -0.0001323500000000, -0.0002161200000000 ] - [ 0.0001284800000000, 0.0003707200000000, -0.0003205500000000 ] - [ -0.0003706400000000, 0.0004967000000000, -0.0000318600000000 ] - [ 0.0003233800000000, 0.0008045300000000, -0.0004257600000000 ] - [ -0.0001025300000000, 0.0001664900000000, 0.0000983900000000 ] - [ -0.0001268000000000, 0.0003289300000000, -0.0003304400000000 ] - [ -0.0000216600000000, 0.0000293600000000, -0.0002245300000000 ] - [ -0.0000848900000000, 0.0003620800000000, 0.0000129000000000 ] - [ -0.0000444900000000, 0.0001694600000000, -0.0001431100000000 ] - [ -0.0214593700000000, -0.0296278600000000, 0.0243458900000000 ] - [ -0.0003000000000000, 0.0001921000000000, 0.0001129000000000 ] - [ -0.0027252000000000, -0.0032310300000000, -0.0024636000000000 ] - [ 0.0003139000000000, -0.0002862700000000, -0.0001256500000000 ] - [ 0.0000411800000000, 0.0004469400000000, 0.0002689200000000 ] - [ 0.0000482800000000, 0.0002423200000000, 0.0000869100000000 ] - [ 0.0003176500000000, 0.0005217200000000, -0.0004922900000000 ] - [ -0.0000412600000000, 0.0002369900000000, -0.0000812000000000 ] - [ 0.0000902700000000, -0.0003828400000000, -0.0001863100000000 ] - [ 0.0002053200000000, -0.0003093200000000, -0.0001023100000000 ] - [ 0.0000807400000000, -0.0005024600000000, 0.0001574500000000 ] - [ 0.0000066000000000, -0.0002321300000000, 0.0001829600000000 ] - [ 0.0000670200000000, -0.0006285500000000, -0.0004725200000000 ] - [ 0.0001974000000000, -0.0002272500000000, -0.0000338600000000 ] - [ -0.0000266700000000, -0.0002678500000000, 0.0000206100000000 ] - [ 0.0000025200000000, -0.0003786500000000, 0.0002391700000000 ] - [ 0.0001102000000000, 0.0005129800000000, 0.0004169200000000 ] - [ -0.0000721700000000, 0.0003142500000000, 0.0000668000000000 ] - [ 0.0002449600000000, 0.0004024400000000, -0.0000830300000000 ] - [ -0.0000266500000000, 0.0004252500000000, -0.0001176000000000 ] - [ 0.0008700300000000, -0.0002857100000000, -0.0007466300000000 ] - [ 0.0000067200000000, 0.0001310900000000, 0.0000875000000000 ] - [ -0.0001706000000000, 0.0001069700000000, 0.0000878900000000 ] - [ 0.0000851400000000, 0.0001385900000000, 0.0000461100000000 ] - [ 0.0000430400000000, -0.0000837400000000, 0.0000610800000000 ] - [ -0.0000060700000000, -0.0001132500000000, -0.0000563500000000 ] - [ 0.0001104700000000, -0.0000029200000000, 0.0003174800000000 ] - [ 0.0000602400000000, -0.0001099000000000, -0.0000980700000000 ] - [ -0.0005371800000000, 0.0005868600000000, -0.0001206400000000 ] - [ -0.0000461000000000, 0.0002363500000000, -0.0000519800000000 ] - [ -0.0000500300000000, 0.0013004700000000, -0.0003363900000000 ] - [ 0.0000065500000000, 0.0002443100000000, 0.0001516400000000 ] - [ -0.0006098800000000, -0.0003791900000000, -0.0010264300000000 ] - [ 0.0001175500000000, -0.0003831300000000, -0.0000801400000000 ] - [ 0.0003333100000000, -0.0009005100000000, 0.0002385100000000 ] - [ -0.0000025100000000, -0.0002903000000000, -0.0001999600000000 ] - [ -0.0001295600000000, 0.0011606100000000, 0.0002956700000000 ] - [ -0.0000447300000000, 0.0001886300000000, -0.0000056900000000 ] - [ -0.0003203300000000, 0.0004028700000000, 0.0002492400000000 ] - [ 0.0000656200000000, 0.0001999500000000, -0.0000856200000000 ] - [ -0.0002205500000000, -0.0003521900000000, 0.0005669900000000 ] - [ -0.0000306800000000, -0.0001024400000000, 0.0000862200000000 ] - [ 0.0001918400000000, 0.0000525500000000, -0.0004862900000000 ] - [ 0.0003367900000000, -0.0001357400000000, 0.0007893500000000 ] - [ -0.0001428600000000, 0.0001321300000000, -0.0000615800000000 ] - [ -0.0000897900000000, 0.0000502300000000, -0.0000848900000000 ] - [ 0.0010622500000000, -0.0002334400000000, 0.0005564900000000 ] - [ 0.0000863600000000, 0.0001509700000000, 0.0001049800000000 ] - [ 0.0000972100000000, -0.0001340900000000, -0.0000167700000000 ] - [ 0.0001396900000000, -0.0000650900000000, 0.0001145100000000 ] - [ -0.0003109800000000, 0.0000233700000000, -0.0001104800000000 ] - [ -0.0000404200000000, -0.0001711700000000, -0.0000426000000000 ]- atom: 25 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0001693300000000, 0.0002082300000000, 0.0000048900000000 ] - [ 0.0000486200000000, -0.0000138500000000, 0.0001180000000000 ] - [ -0.0002173300000000, -0.0048386700000000, 0.0034453500000000 ] - [ 0.0001016900000000, -0.0000810500000000, 0.0001826700000000 ] - [ -0.0000511200000000, -0.0000324200000000, 0.0000132400000000 ] - [ -0.0000095100000000, -0.0000156900000000, 0.0000580700000000 ] - [ 0.0012138000000000, 0.0052090000000000, 0.0034850800000000 ] - [ -0.0001169300000000, 0.0000461700000000, 0.0002932800000000 ] - [ -0.0003174800000000, -0.0000374400000000, 0.0002655600000000 ] - [ -0.0000474900000000, -0.0000940100000000, 0.0002226700000000 ] - [ -0.0009406100000000, 0.0000192800000000, -0.0005499200000000 ] - [ 0.0001699300000000, -0.0000449200000000, -0.0001267300000000 ] - [ 0.0000939600000000, 0.0000439000000000, -0.0001293700000000 ] - [ 0.0003688900000000, -0.0001174100000000, -0.0003158900000000 ] - [ -0.0000854400000000, 0.0000296100000000, -0.0002095400000000 ] - [ -0.0001023300000000, 0.0000123300000000, 0.0002776600000000 ] - [ -0.0000623400000000, 0.0000723700000000, -0.0006229700000000 ] - [ -0.0001071300000000, -0.0003124800000000, -0.0000473700000000 ] - [ 0.0000398800000000, -0.0004323600000000, 0.0001337600000000 ] - [ 0.0000895300000000, -0.0000736500000000, 0.0003634200000000 ] - [ 0.0036436800000000, 0.0036685000000000, -0.0016760800000000 ] - [ 0.0000224900000000, 0.0001397100000000, 0.0006070800000000 ] - [ -0.0002121700000000, 0.0002910200000000, 0.0003406800000000 ] - [ 0.0002917100000000, 0.0000782700000000, -0.0000590200000000 ] - [ 0.0168757300000000, 0.0145092700000000, -0.1001060900000000 ] - [ 0.0001437900000000, 0.0002802900000000, -0.0000622500000000 ] - [ -0.0000193900000000, 0.0002876500000000, 0.0002027100000000 ] - [ 0.0001634400000000, 0.0003395100000000, 0.0008134700000000 ] - [ -0.0001183000000000, -0.0003394800000000, 0.0001853400000000 ] - [ -0.0001185900000000, -0.0002794300000000, 0.0002883200000000 ] - [ 0.0001116600000000, -0.0002752700000000, -0.0001143700000000 ] - [ 0.0001325600000000, -0.0001925700000000, -0.0001085200000000 ] - [ 0.0034552700000000, 0.0008889700000000, 0.0013826600000000 ] - [ 0.0000352500000000, -0.0000557800000000, 0.0003487700000000 ] - [ -0.0066852200000000, -0.0007384800000000, 0.0056174500000000 ] - [ -0.0000770500000000, 0.0001070100000000, 0.0001562100000000 ] - [ -0.0000081600000000, 0.0000346900000000, -0.0002036200000000 ] - [ -0.0000996000000000, -0.0000489800000000, -0.0000741200000000 ] - [ -0.0000297400000000, 0.0000557800000000, 0.0001749400000000 ] - [ 0.0000411900000000, -0.0000099600000000, 0.0001963900000000 ] - [ 0.0000396500000000, -0.0000661200000000, 0.0000042700000000 ] - [ 0.0000164800000000, 0.0001381500000000, 0.0000240300000000 ] - [ -0.0001308100000000, -0.0000964700000000, -0.0002193100000000 ] - [ 0.0000643900000000, -0.0000951100000000, 0.0000967700000000 ] - [ -0.0000185000000000, 0.0000064500000000, -0.0000700200000000 ] - [ 0.0000093300000000, 0.0000363400000000, 0.0000729300000000 ] - [ 0.0000390300000000, -0.0000046500000000, -0.0001663700000000 ] - [ -0.0000027300000000, 0.0000281500000000, 0.0001473000000000 ] - [ -0.0000616800000000, 0.0000486600000000, 0.0002351700000000 ] - [ -0.0001228400000000, -0.0001236200000000, 0.0002565900000000 ] - [ 0.0001707300000000, -0.0004500700000000, -0.0004638700000000 ] - [ 0.0000677800000000, -0.0000501000000000, -0.0001249300000000 ] - [ 0.0000596700000000, -0.0000580500000000, 0.0001286400000000 ] - [ -0.0001496700000000, 0.0005658700000000, 0.0000366600000000 ] - [ -0.0058901500000000, -0.0058270100000000, -0.0018394800000000 ] - [ -0.0001406400000000, 0.0000055900000000, 0.0003660200000000 ] - [ 0.0000093500000000, -0.0002117000000000, -0.0006633500000000 ] - [ -0.0001835900000000, -0.0001914600000000, -0.0001001300000000 ] - [ 0.0002601000000000, -0.0001508000000000, -0.0000222100000000 ] - [ 0.0000458400000000, -0.0002575600000000, 0.0003477500000000 ] - [ -0.0001857800000000, -0.0001230300000000, -0.0002181600000000 ] - [ 0.0001997100000000, 0.0002635900000000, 0.0003163600000000 ] - [ -0.0000861600000000, 0.0001808300000000, -0.0001254900000000 ] - [ -0.0002893300000000, 0.0004098000000000, -0.0002678100000000 ] - [ 0.0000396700000000, 0.0001836400000000, -0.0004275300000000 ] - [ 0.0001221000000000, 0.0002512700000000, -0.0001167700000000 ] - [ -0.0001106400000000, 0.0002435500000000, 0.0002496800000000 ] - [ -0.0001104000000000, 0.0002150500000000, 0.0000172600000000 ] - [ -0.0002876500000000, -0.0002720100000000, 0.0001893800000000 ] - [ -0.0000692000000000, -0.0002111600000000, 0.0002661000000000 ] - [ 0.0000610800000000, -0.0002252500000000, -0.0001061000000000 ] - [ 0.0001250900000000, -0.0002467200000000, -0.0000866000000000 ] - [ 0.0000273100000000, 0.0000539200000000, 0.0000024800000000 ] - [ 0.0000756200000000, -0.0000571000000000, 0.0002330500000000 ] - [ -0.0000630200000000, -0.0001117600000000, -0.0003459700000000 ] - [ -0.0000623100000000, 0.0000437000000000, -0.0000451200000000 ] - [ -0.0001248800000000, -0.0001080400000000, -0.0000814000000000 ] - [ 0.0000016400000000, -0.0000004900000000, -0.0000344500000000 ] - [ 0.0000974700000000, 0.0000768400000000, 0.0000473000000000 ] - [ 0.0000407600000000, 0.0000420200000000, 0.0001912000000000 ] - [ -0.0004150000000000, -0.0014359900000000, -0.0025613900000000 ] - [ 0.0000020700000000, 0.0001048600000000, -0.0002169000000000 ] - [ 0.0203219200000000, 0.0192348900000000, 0.0389203200000000 ] - [ 0.0000386000000000, -0.0000164700000000, -0.0003471800000000 ] - [ 0.0000533900000000, -0.0000558000000000, -0.0001722600000000 ] - [ 0.0000966400000000, -0.0000094900000000, -0.0002848400000000 ] - [ 0.0000316000000000, 0.0000443800000000, 0.0000410000000000 ] - [ 0.0000148800000000, -0.0000026900000000, 0.0000193000000000 ] - [ 0.0002148200000000, -0.0001630700000000, 0.0001310000000000 ] - [ 0.0000540200000000, -0.0000479900000000, -0.0002642300000000 ] - [ -0.0004283000000000, -0.0001562100000000, -0.0001575600000000 ] - [ -0.0000068800000000, 0.0000552100000000, -0.0000618600000000 ] - [ -0.0325333000000000, -0.0329079100000000, 0.0510963400000000 ] - [ -0.0001316600000000, 0.0000757200000000, -0.0002571600000000 ] - [ -0.0013792400000000, -0.0002109100000000, -0.0020333100000000 ] - [ 0.0000581400000000, 0.0002352300000000, -0.0003494200000000 ] - [ -0.0001315400000000, 0.0002618800000000, 0.0005489600000000 ] - [ -0.0000256600000000, 0.0000476400000000, -0.0000148700000000 ] - [ 0.0000576900000000, 0.0000683600000000, 0.0003035400000000 ] - [ 0.0000222100000000, 0.0000495400000000, -0.0002211200000000 ] - [ 0.0000595500000000, -0.0001961500000000, -0.0002967800000000 ] - [ 0.0001241600000000, -0.0002144500000000, -0.0002956700000000 ] - [ 0.0002376000000000, 0.0002315600000000, -0.0001414100000000 ] - [ -0.0000960800000000, -0.0000519400000000, -0.0000234400000000 ] - [ 0.0002523500000000, 0.0000268400000000, 0.0002627700000000 ] - [ 0.0001264000000000, -0.0002040300000000, -0.0001596200000000 ] - [ -0.0001027000000000, -0.0000254600000000, -0.0000739300000000 ] - [ -0.0001999500000000, -0.0003053400000000, 0.0000410600000000 ] - [ 0.0000141400000000, 0.0002848800000000, 0.0006704700000000 ] - [ -0.0001939400000000, 0.0000969500000000, -0.0000618100000000 ] - [ 0.0003236200000000, 0.0000545600000000, 0.0003325000000000 ] - [ 0.0000908200000000, 0.0001769700000000, -0.0001996700000000 ] - [ -0.0001977000000000, 0.0007097300000000, 0.0007351800000000 ] - [ 0.0000168200000000, 0.0001285300000000, -0.0001414700000000 ] - [ -0.0001974000000000, 0.0002709800000000, 0.0002030000000000 ] - [ 0.0000621200000000, 0.0001482600000000, -0.0000969400000000 ] - [ 0.0000411100000000, -0.0002837800000000, 0.0000105900000000 ] - [ -0.0000362600000000, -0.0000834700000000, -0.0000942400000000 ] - [ -0.0000595400000000, -0.0002110700000000, -0.0002661500000000 ] - [ 0.0000286900000000, -0.0000539400000000, -0.0000499700000000 ] - [ -0.0004236600000000, 0.0004349700000000, 0.0000508500000000 ] - [ -0.0000288900000000, 0.0001545700000000, -0.0001995600000000 ] - [ 0.0004953300000000, -0.0000668800000000, 0.0007263500000000 ] - [ 0.0000477300000000, 0.0002454400000000, -0.0000749400000000 ] - [ 0.0013031800000000, 0.0011327800000000, 0.0017458000000000 ] - [ 0.0004104600000000, 0.0001875400000000, -0.0006116000000000 ] - [ 0.0008979200000000, -0.0008551700000000, 0.0007485600000000 ] - [ -0.0001322600000000, -0.0001432100000000, -0.0003291000000000 ] - [ -0.0005210200000000, 0.0010407100000000, 0.0007202400000000 ] - [ -0.0000028700000000, 0.0001128100000000, -0.0001492900000000 ] - [ 0.0001745400000000, -0.0001861100000000, 0.0001486400000000 ] - [ 0.0000019300000000, 0.0001823700000000, -0.0000836600000000 ] - [ -0.0006946300000000, 0.0011930700000000, 0.0011247100000000 ] - [ 0.0000889100000000, -0.0002168700000000, -0.0001784200000000 ] - [ 0.0001646800000000, 0.0000178400000000, -0.0004636700000000 ] - [ -0.0003813300000000, -0.0003669600000000, -0.0004513100000000 ] - [ 0.0003110600000000, -0.0001000400000000, 0.0000238300000000 ] - [ -0.0000804700000000, 0.0002084000000000, -0.0001928400000000 ] - [ 0.0009350200000000, -0.0001753100000000, 0.0007469800000000 ] - [ 0.0000172400000000, 0.0001986000000000, -0.0000996900000000 ] - [ 0.0000849500000000, -0.0001714400000000, -0.0000522300000000 ] - [ -0.0000344100000000, -0.0002023100000000, 0.0000600400000000 ] - [ -0.0000999100000000, -0.0002172900000000, -0.0000387100000000 ] - [ -0.0000109700000000, -0.0002211600000000, -0.0001194500000000 ]- atom: 25 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ -0.0001644400000000, -0.0000269400000000, -0.0000029900000000 ] - [ -0.0000474900000000, 0.0001919600000000, -0.0001183700000000 ] - [ 0.0002059300000000, 0.0047362400000000, -0.0034777200000000 ] - [ -0.0000980500000000, -0.0000966600000000, -0.0001786700000000 ] - [ 0.0000518800000000, -0.0000050000000000, -0.0000127900000000 ] - [ 0.0000121600000000, -0.0000220200000000, -0.0000596900000000 ] - [ -0.0012105300000000, -0.0052581200000000, -0.0035242600000000 ] - [ 0.0001165000000000, -0.0000096200000000, -0.0002945300000000 ] - [ 0.0001187600000000, -0.0000401300000000, 0.0001262700000000 ] - [ -0.0001630700000000, 0.0000162100000000, 0.0001672400000000 ] - [ 0.0011333700000000, -0.0000967100000000, 0.0001523100000000 ] - [ 0.0000293500000000, -0.0000324100000000, -0.0002680500000000 ] - [ 0.0001044100000000, 0.0000338700000000, -0.0002636700000000 ] - [ -0.0001705700000000, 0.0001960600000000, -0.0000775300000000 ] - [ -0.0001166600000000, 0.0000459600000000, 0.0006075900000000 ] - [ -0.0000990900000000, 0.0000629800000000, 0.0001177300000000 ] - [ -0.0002040000000000, -0.0005204100000000, 0.0002161200000000 ] - [ -0.0001596600000000, -0.0001387500000000, -0.0003586000000000 ] - [ 0.0002252600000000, -0.0000172600000000, 0.0002718800000000 ] - [ 0.0001778900000000, -0.0003861100000000, 0.0000388100000000 ] - [ -0.0033671200000000, -0.0032176700000000, 0.0020741700000000 ] - [ 0.0002439600000000, 0.0003103000000000, -0.0002034900000000 ] - [ -0.0000564700000000, 0.0001601900000000, -0.0007443300000000 ] - [ -0.0005576600000000, 0.0003705300000000, -0.0003449400000000 ] - [ -0.0173469900000000, -0.0150874400000000, 0.1010024200000000 ] - [ 0.0000795300000000, 0.0002059600000000, -0.0003271800000000 ] - [ -0.0002017800000000, 0.0001972500000000, 0.0001871100000000 ] - [ -0.0003860900000000, 0.0001453300000000, -0.0004257200000000 ] - [ -0.0001012300000000, -0.0001442400000000, 0.0002043500000000 ] - [ -0.0000998000000000, -0.0002039500000000, 0.0001019700000000 ] - [ 0.0001109300000000, -0.0002115800000000, -0.0002740200000000 ] - [ 0.0000913400000000, -0.0002924800000000, -0.0002787400000000 ] - [ -0.0033667400000000, -0.0008837200000000, -0.0010974600000000 ] - [ 0.0001037500000000, 0.0000525100000000, -0.0000515300000000 ] - [ 0.0066689900000000, 0.0007307600000000, -0.0059920500000000 ] - [ -0.0000610100000000, -0.0001071700000000, -0.0004531500000000 ] - [ -0.0001323800000000, -0.0000329400000000, -0.0000897500000000 ] - [ -0.0000429800000000, 0.0000523900000000, -0.0002234400000000 ] - [ 0.0001707100000000, -0.0000515400000000, 0.0001212800000000 ] - [ 0.0000983600000000, 0.0000111700000000, 0.0000980100000000 ] - [ -0.0000379000000000, 0.0002433300000000, -0.0000037800000000 ] - [ -0.0000157100000000, 0.0000418200000000, -0.0000244000000000 ] - [ 0.0001297200000000, -0.0000809500000000, 0.0002191200000000 ] - [ -0.0000655900000000, -0.0000838800000000, -0.0000969200000000 ] - [ 0.0000154200000000, -0.0000436400000000, 0.0000738900000000 ] - [ -0.0000088100000000, -0.0000750300000000, -0.0000733500000000 ] - [ -0.0000400200000000, 0.0000421700000000, 0.0001665200000000 ] - [ 0.0000045700000000, 0.0000086400000000, -0.0001494400000000 ] - [ -0.0001401600000000, -0.0001249000000000, 0.0001603900000000 ] - [ -0.0000764600000000, 0.0000470700000000, 0.0001369500000000 ] - [ 0.0000286200000000, 0.0003757100000000, 0.0000720500000000 ] - [ 0.0001299800000000, -0.0000296700000000, -0.0002663300000000 ] - [ 0.0001383900000000, 0.0001311600000000, -0.0005148900000000 ] - [ 0.0003481700000000, -0.0004903300000000, -0.0004296100000000 ] - [ 0.0056890500000000, 0.0058907000000000, 0.0022222700000000 ] - [ -0.0000597100000000, 0.0000707300000000, 0.0000292000000000 ] - [ -0.0002760900000000, -0.0002400100000000, 0.0002577700000000 ] - [ -0.0000819100000000, -0.0002579100000000, -0.0003051900000000 ] - [ 0.0000043000000000, -0.0002980100000000, 0.0004261400000000 ] - [ 0.0002216400000000, -0.0001926800000000, 0.0000578800000000 ] - [ 0.0004562200000000, 0.0005776100000000, 0.0006286400000000 ] - [ 0.0000662200000000, 0.0001869000000000, 0.0000889900000000 ] - [ -0.0001802200000000, 0.0002700800000000, -0.0002800500000000 ] - [ 0.0000256900000000, 0.0000375200000000, -0.0001362200000000 ] - [ 0.0001797000000000, 0.0003003500000000, 0.0000396800000000 ] - [ 0.0000991400000000, 0.0002339600000000, -0.0002720000000000 ] - [ -0.0001106100000000, 0.0002412800000000, 0.0001394000000000 ] - [ -0.0001119700000000, 0.0002712400000000, 0.0003727900000000 ] - [ 0.0000676600000000, -0.0002122800000000, 0.0002002000000000 ] - [ -0.0001520300000000, -0.0002742400000000, 0.0001239000000000 ] - [ 0.0001619500000000, -0.0002614700000000, -0.0002839500000000 ] - [ 0.0000948200000000, -0.0002367900000000, -0.0003014900000000 ] - [ 0.0001145800000000, -0.0000562900000000, 0.0002932900000000 ] - [ 0.0000643900000000, 0.0000557000000000, 0.0000611500000000 ] - [ -0.0000761400000000, 0.0001094600000000, 0.0000505400000000 ] - [ -0.0000795400000000, -0.0000469800000000, -0.0002512200000000 ] - [ -0.0000158200000000, 0.0001089300000000, -0.0002119300000000 ] - [ -0.0001443300000000, 0.0000018700000000, -0.0002600100000000 ] - [ 0.0000433300000000, -0.0000715900000000, 0.0002496200000000 ] - [ 0.0001012700000000, -0.0000402700000000, 0.0001029700000000 ] - [ 0.0003763300000000, 0.0015494700000000, 0.0027804300000000 ] - [ -0.0000458800000000, -0.0000063600000000, 0.0004274600000000 ] - [ -0.0208361500000000, -0.0195013200000000, -0.0393580400000000 ] - [ 0.0000012800000000, 0.0001206900000000, 0.0001345300000000 ] - [ -0.0000107700000000, -0.0000490700000000, -0.0000413400000000 ] - [ -0.0000545300000000, -0.0000947900000000, 0.0000742700000000 ] - [ -0.0000758700000000, -0.0001468300000000, 0.0001680600000000 ] - [ -0.0000569900000000, -0.0000981700000000, 0.0001920200000000 ] - [ 0.0000618700000000, -0.0000918000000000, -0.0002808400000000 ] - [ 0.0002216200000000, -0.0002082900000000, 0.0001151000000000 ] - [ 0.0001417700000000, -0.0000952900000000, 0.0002969100000000 ] - [ -0.0002692800000000, -0.0003111000000000, 0.0002134400000000 ] - [ 0.0334059900000000, 0.0345959600000000, -0.0518510500000000 ] - [ -0.0001470400000000, 0.0001826500000000, 0.0004092000000000 ] - [ 0.0016621100000000, 0.0004673300000000, 0.0018848300000000 ] - [ 0.0002120100000000, 0.0000199200000000, 0.0002016900000000 ] - [ 0.0000898500000000, -0.0001587300000000, -0.0003393500000000 ] - [ -0.0000148700000000, 0.0000564400000000, 0.0002267100000000 ] - [ -0.0000134100000000, 0.0000351600000000, -0.0005190700000000 ] - [ 0.0000204700000000, 0.0000538900000000, 0.0000105500000000 ] - [ -0.0000110400000000, 0.0000831600000000, 0.0000761100000000 ] - [ -0.0000829600000000, 0.0001119800000000, 0.0000857700000000 ] - [ -0.0002794000000000, -0.0003341000000000, 0.0003480300000000 ] - [ 0.0000540000000000, -0.0000503800000000, 0.0002357000000000 ] - [ 0.0000262100000000, -0.0002799600000000, -0.0004111500000000 ] - [ 0.0001502000000000, -0.0000527800000000, 0.0000112000000000 ] - [ -0.0001731800000000, -0.0002299100000000, 0.0002196000000000 ] - [ -0.0000762000000000, 0.0000498700000000, 0.0001090800000000 ] - [ -0.0002922700000000, -0.0000322600000000, -0.0005253900000000 ] - [ -0.0000824500000000, 0.0001583900000000, 0.0002110500000000 ] - [ -0.0000476700000000, 0.0002009500000000, -0.0004832100000000 ] - [ 0.0001859000000000, 0.0000774000000000, 0.0000501900000000 ] - [ 0.0001692500000000, -0.0004314800000000, -0.0007831800000000 ] - [ -0.0000465200000000, 0.0001544300000000, 0.0001004000000000 ] - [ 0.0002276200000000, 0.0000095900000000, -0.0001573000000000 ] - [ -0.0000312600000000, 0.0001346400000000, 0.0001408200000000 ] - [ -0.0000104400000000, -0.0000006600000000, 0.0000324900000000 ] - [ 0.0000658800000000, -0.0001995800000000, 0.0001387800000000 ] - [ 0.0000305600000000, -0.0000713100000000, 0.0002198400000000 ] - [ -0.0000582800000000, -0.0002294900000000, 0.0000063400000000 ] - [ 0.0003382700000000, -0.0000239800000000, -0.0001684800000000 ] - [ -0.0000593300000000, 0.0002573500000000, 0.0000798800000000 ] - [ -0.0004099900000000, 0.0004805400000000, -0.0006102400000000 ] - [ 0.0000395600000000, 0.0001672700000000, 0.0001960500000000 ] - [ -0.0011867900000000, -0.0015208700000000, -0.0016250700000000 ] - [ -0.0003226000000000, -0.0006030000000000, 0.0007367400000000 ] - [ -0.0009697400000000, 0.0004387100000000, -0.0008620100000000 ] - [ 0.0000442300000000, -0.0002695600000000, 0.0002101100000000 ] - [ 0.0004923900000000, -0.0007598300000000, -0.0007667000000000 ] - [ -0.0000262800000000, 0.0001702300000000, 0.0001056200000000 ] - [ -0.0001469200000000, 0.0004711700000000, -0.0001038600000000 ] - [ 0.0000275000000000, 0.0001008800000000, 0.0001283200000000 ] - [ 0.0007195800000000, -0.0014642700000000, -0.0010759700000000 ] - [ -0.0000596900000000, -0.0000662300000000, 0.0002234700000000 ] - [ -0.0001953000000000, -0.0003016000000000, 0.0004205400000000 ] - [ 0.0003543500000000, 0.0000842500000000, 0.0004106600000000 ] - [ -0.0004017400000000, 0.0005157300000000, -0.0001414500000000 ] - [ -0.0000075000000000, 0.0002028500000000, 0.0000732500000000 ] - [ -0.0008499800000000, 0.0005888200000000, -0.0006296800000000 ] - [ 0.0000712100000000, 0.0002138500000000, 0.0002192100000000 ] - [ 0.0000030800000000, -0.0002410200000000, 0.0001719700000000 ] - [ 0.0001232300000000, -0.0002101600000000, 0.0000600500000000 ] - [ 0.0000121600000000, -0.0001941400000000, -0.0000812700000000 ] - [ -0.0000773000000000, -0.0001913200000000, 0.0000009600000000 ]- atom: 33 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ -0.0002239500000000, 0.0000063900000000, -0.0002339300000000 ] - [ -0.0002173200000000, 0.0000961700000000, -0.0001757700000000 ] - [ 0.0037356700000000, 0.0049211800000000, -0.0003763800000000 ] - [ -0.0001345800000000, -0.0000414200000000, -0.0001825000000000 ] - [ -0.0001056400000000, 0.0000531900000000, 0.0000583200000000 ] - [ -0.0000854500000000, -0.0000407800000000, -0.0001263400000000 ] - [ 0.0031170700000000, -0.0043726400000000, 0.0012996900000000 ] - [ -0.0000696000000000, 0.0000274900000000, -0.0003314800000000 ] - [ 0.0005139200000000, -0.0001279900000000, 0.0001846500000000 ] - [ 0.0003474800000000, -0.0000810300000000, 0.0002344900000000 ] - [ 0.0006919700000000, 0.0000315800000000, -0.0004818100000000 ] - [ -0.0000217700000000, 0.0000008900000000, -0.0001004000000000 ] - [ 0.0001521200000000, -0.0000083900000000, -0.0002074600000000 ] - [ 0.0000109900000000, -0.0003446000000000, -0.0001752200000000 ] - [ 0.0003748300000000, 0.0001805000000000, 0.0001626800000000 ] - [ -0.0000129100000000, 0.0000447500000000, 0.0002140000000000 ] - [ -0.0005119000000000, -0.0006685600000000, -0.0003742500000000 ] - [ -0.0002889500000000, -0.0001394100000000, -0.0002206500000000 ] - [ 0.0003103700000000, -0.0000270700000000, -0.0000142800000000 ] - [ 0.0000430200000000, 0.0003075600000000, 0.0003150900000000 ] - [ 0.0005648700000000, 0.0005481100000000, 0.0004592000000000 ] - [ 0.0001966400000000, 0.0002878400000000, 0.0000001800000000 ] - [ 0.0001754500000000, -0.0000260300000000, -0.0011467200000000 ] - [ -0.0019261300000000, -0.0037436100000000, 0.0039149800000000 ] - [ 0.0037293500000000, -0.0011017800000000, 0.0043230800000000 ] - [ 0.0000272100000000, 0.0003089700000000, -0.0002583600000000 ] - [ -0.0004161500000000, 0.0004716700000000, 0.0000932700000000 ] - [ 0.0047123200000000, 0.0009038900000000, -0.0056368500000000 ] - [ -0.0002967500000000, -0.0002534600000000, 0.0002100400000000 ] - [ -0.0001801500000000, -0.0002591100000000, 0.0001447500000000 ] - [ -0.0000367100000000, -0.0001741900000000, -0.0003388700000000 ] - [ -0.0000161700000000, -0.0001581800000000, -0.0002598200000000 ] - [ -0.1049659000000000, 0.0000524900000000, -0.0026808400000000 ] - [ -0.0000267200000000, 0.0000978900000000, 0.0000104400000000 ] - [ 0.0007481000000000, -0.0000342100000000, -0.0001872800000000 ] - [ -0.0002464800000000, -0.0000130500000000, -0.0001711500000000 ] - [ -0.0003581600000000, -0.0000158300000000, -0.0000681900000000 ] - [ -0.0001142700000000, 0.0000365700000000, -0.0002304300000000 ] - [ -0.0001119200000000, -0.0000857500000000, 0.0000273300000000 ] - [ -0.0001112400000000, -0.0000844100000000, 0.0000737800000000 ] - [ 0.0002206900000000, 0.0001012900000000, 0.0001148500000000 ] - [ 0.0001375900000000, 0.0000903800000000, 0.0001146200000000 ] - [ 0.0001649500000000, -0.0001158800000000, 0.0001429100000000 ] - [ 0.0000475600000000, -0.0001015500000000, 0.0000465800000000 ] - [ 0.0002435600000000, 0.0000130100000000, -0.0000654300000000 ] - [ 0.0001142100000000, 0.0000485500000000, 0.0002065100000000 ] - [ 0.0002140600000000, 0.0000718800000000, -0.0001047100000000 ] - [ 0.0000723200000000, 0.0000061100000000, 0.0001536500000000 ] - [ -0.0002675200000000, -0.0001635900000000, 0.0002151100000000 ] - [ -0.0001650900000000, 0.0001362400000000, 0.0001639000000000 ] - [ -0.0000967200000000, -0.0002820000000000, -0.0000132700000000 ] - [ 0.0001084500000000, -0.0000609100000000, -0.0002404500000000 ] - [ -0.0000625900000000, 0.0000067200000000, -0.0001248100000000 ] - [ 0.0006267300000000, -0.0004926700000000, -0.0002234500000000 ] - [ -0.0019623300000000, 0.0048751900000000, -0.0036456100000000 ] - [ -0.0001591100000000, 0.0000183800000000, 0.0000150400000000 ] - [ 0.0000446900000000, -0.0001463700000000, -0.0000108900000000 ] - [ 0.0000039700000000, -0.0001978400000000, -0.0001719600000000 ] - [ 0.0002011100000000, 0.0006243700000000, 0.0007509900000000 ] - [ 0.0004855400000000, -0.0002042600000000, 0.0001474800000000 ] - [ 0.0001462100000000, 0.0005445700000000, 0.0002401700000000 ] - [ 0.0000911500000000, 0.0001828300000000, 0.0002194100000000 ] - [ -0.0000884800000000, 0.0001959700000000, -0.0001348700000000 ] - [ 0.0001385600000000, 0.0001096800000000, -0.0002047400000000 ] - [ 0.0002811500000000, 0.0002982600000000, -0.0001886000000000 ] - [ 0.0001452700000000, 0.0001863200000000, -0.0001815200000000 ] - [ -0.0000550900000000, 0.0002083600000000, 0.0002169200000000 ] - [ -0.0000102800000000, 0.0002048200000000, 0.0002332900000000 ] - [ 0.0001845500000000, -0.0001627500000000, 0.0002171600000000 ] - [ 0.0000038100000000, -0.0002011700000000, 0.0002979500000000 ] - [ 0.0007333100000000, -0.0003307000000000, 0.0000057200000000 ] - [ 0.0003018100000000, -0.0002795300000000, -0.0001745600000000 ] - [ 0.0002421500000000, 0.0000208900000000, 0.0001406100000000 ] - [ 0.0001515800000000, -0.0000124900000000, 0.0001692000000000 ] - [ 0.0000529600000000, -0.0000015200000000, -0.0001315500000000 ] - [ -0.0000367100000000, -0.0000252000000000, -0.0001690600000000 ] - [ 0.0002014500000000, 0.0000114200000000, -0.0002017800000000 ] - [ 0.0002156000000000, -0.0000796700000000, 0.0001488200000000 ] - [ 0.0002543500000000, 0.0000546700000000, 0.0001496000000000 ] - [ 0.0002538200000000, -0.0000326700000000, 0.0001698900000000 ] - [ -0.0025026400000000, 0.0010479700000000, 0.0002250300000000 ] - [ 0.0004426700000000, -0.0000998000000000, 0.0002153200000000 ] - [ 0.0479438900000000, -0.0272151800000000, 0.0275178600000000 ] - [ 0.0001160300000000, 0.0001090600000000, 0.0001987900000000 ] - [ 0.0002249300000000, -0.0000646900000000, -0.0000684500000000 ] - [ 0.0003457100000000, -0.0000892300000000, 0.0001257300000000 ] - [ 0.0005212800000000, 0.0000168700000000, -0.0001470600000000 ] - [ 0.0000359800000000, -0.0000479200000000, 0.0002172600000000 ] - [ 0.0008313300000000, 0.0000728900000000, 0.0001986300000000 ] - [ 0.0004427500000000, -0.0001185800000000, -0.0000416700000000 ] - [ 0.0003088200000000, -0.0002204800000000, 0.0003528900000000 ] - [ -0.0000707800000000, -0.0002364400000000, 0.0004269100000000 ] - [ -0.0028062800000000, -0.0003559700000000, -0.0008238800000000 ] - [ -0.0000818200000000, -0.0001047300000000, 0.0002382000000000 ] - [ 0.0499031800000000, 0.0262603500000000, -0.0256083200000000 ] - [ 0.0003953700000000, -0.0001042800000000, 0.0003269500000000 ] - [ -0.0003009800000000, 0.0000711200000000, 0.0001082300000000 ] - [ -0.0000771100000000, 0.0001247900000000, 0.0000909200000000 ] - [ -0.0003659600000000, -0.0000837900000000, 0.0000941400000000 ] - [ -0.0001390600000000, 0.0000454500000000, -0.0001377900000000 ] - [ -0.0003281000000000, -0.0000929800000000, -0.0001191000000000 ] - [ -0.0005144500000000, 0.0002614500000000, -0.0001478300000000 ] - [ -0.0006406800000000, -0.0003629400000000, 0.0003446300000000 ] - [ -0.0002786500000000, 0.0001237900000000, -0.0001796600000000 ] - [ -0.0002350000000000, -0.0001862500000000, -0.0000912700000000 ] - [ -0.0000664800000000, -0.0001024600000000, -0.0001323100000000 ] - [ -0.0004723300000000, -0.0002013200000000, 0.0000465400000000 ] - [ -0.0007023000000000, -0.0004668100000000, -0.0003332300000000 ] - [ -0.0004153700000000, 0.0000448600000000, -0.0000038800000000 ] - [ -0.0001254300000000, 0.0002016700000000, 0.0000453700000000 ] - [ -0.0001620100000000, 0.0001604800000000, -0.0002252400000000 ] - [ 0.0000431800000000, 0.0001521200000000, -0.0001077300000000 ] - [ -0.0004378300000000, 0.0001399600000000, 0.0000192600000000 ] - [ -0.0001132200000000, 0.0001725100000000, -0.0001261600000000 ] - [ -0.0005370900000000, 0.0003055400000000, 0.0000540400000000 ] - [ -0.0001658400000000, 0.0000824200000000, 0.0000720600000000 ] - [ -0.0002127000000000, 0.0000164600000000, 0.0000716800000000 ] - [ -0.0001878100000000, -0.0000111700000000, -0.0003995300000000 ] - [ -0.0001435000000000, -0.0002365900000000, -0.0001453300000000 ] - [ -0.0002142300000000, -0.0001687400000000, 0.0000261400000000 ] - [ 0.0004148000000000, 0.0005951000000000, 0.0004270400000000 ] - [ 0.0000002600000000, 0.0003390800000000, 0.0000324400000000 ] - [ -0.0003185100000000, -0.0000964300000000, -0.0001528100000000 ] - [ 0.0000693300000000, 0.0001754300000000, 0.0000331800000000 ] - [ -0.0001561400000000, -0.0005078300000000, -0.0002929800000000 ] - [ -0.0006285900000000, -0.0004924500000000, 0.0001729800000000 ] - [ -0.0002086000000000, 0.0005732700000000, 0.0017274600000000 ] - [ 0.0006367100000000, -0.0007973800000000, -0.0000024300000000 ] - [ 0.0003051700000000, -0.0005777400000000, -0.0005346900000000 ] - [ 0.0000030600000000, 0.0001762100000000, 0.0000691600000000 ] - [ -0.0001630900000000, 0.0004518000000000, 0.0001531500000000 ] - [ 0.0000683300000000, 0.0001678500000000, 0.0000389600000000 ] - [ 0.0000826600000000, 0.0003079400000000, -0.0006119000000000 ] - [ -0.0000860500000000, -0.0000570500000000, 0.0002340500000000 ] - [ -0.0003586500000000, -0.0003984700000000, 0.0004675200000000 ] - [ 0.0006117000000000, 0.0002879100000000, 0.0001808200000000 ] - [ -0.0004797700000000, 0.0002078200000000, -0.0000904500000000 ] - [ -0.0000719700000000, 0.0002189400000000, -0.0001323200000000 ] - [ -0.0010918400000000, -0.0003130100000000, 0.0001602000000000 ] - [ 0.0001345800000000, 0.0001756200000000, 0.0000583100000000 ] - [ -0.0000367900000000, -0.0002390400000000, 0.0000647900000000 ] - [ 0.0001104000000000, -0.0003538300000000, -0.0000387400000000 ] - [ -0.0001316300000000, -0.0001766900000000, -0.0001438100000000 ] - [ -0.0001146500000000, -0.0002011700000000, -0.0000382300000000 ]- atom: 33 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ 0.0002238700000000, 0.0001716400000000, 0.0002333900000000 ] - [ 0.0002162300000000, 0.0000804800000000, 0.0001743300000000 ] - [ -0.0037030600000000, -0.0050183000000000, 0.0003809100000000 ] - [ 0.0001343500000000, -0.0001353300000000, 0.0001828200000000 ] - [ 0.0001046600000000, -0.0000889200000000, -0.0000569100000000 ] - [ 0.0000862400000000, 0.0000029700000000, 0.0001257300000000 ] - [ -0.0030682400000000, 0.0043269600000000, -0.0013035700000000 ] - [ 0.0000680100000000, 0.0000082900000000, 0.0003299100000000 ] - [ -0.0007153300000000, 0.0000518200000000, 0.0002093700000000 ] - [ -0.0005474800000000, 0.0000030100000000, 0.0001585000000000 ] - [ -0.0005033800000000, -0.0001096100000000, 0.0000966200000000 ] - [ 0.0002226000000000, -0.0000759900000000, -0.0002945700000000 ] - [ 0.0000465400000000, 0.0000872300000000, -0.0001848800000000 ] - [ 0.0001918300000000, 0.0004229700000000, -0.0002247100000000 ] - [ -0.0005747600000000, -0.0001037600000000, 0.0002321300000000 ] - [ -0.0001863500000000, 0.0000326100000000, 0.0001796400000000 ] - [ 0.0002519600000000, 0.0002224200000000, -0.0000277900000000 ] - [ 0.0000233600000000, -0.0003094000000000, -0.0001829900000000 ] - [ -0.0000451900000000, -0.0004228700000000, 0.0004186300000000 ] - [ 0.0002226800000000, -0.0007576700000000, 0.0000904300000000 ] - [ -0.0003018500000000, -0.0001001000000000, -0.0000557200000000 ] - [ 0.0000688500000000, 0.0001627100000000, 0.0004045400000000 ] - [ -0.0004422500000000, 0.0004759900000000, 0.0007456900000000 ] - [ 0.0016743000000000, 0.0041808300000000, -0.0043083300000000 ] - [ -0.0034753300000000, 0.0015969900000000, -0.0046277700000000 ] - [ 0.0001932800000000, 0.0001764900000000, -0.0001314200000000 ] - [ 0.0001949400000000, 0.0000140100000000, 0.0002929800000000 ] - [ -0.0048811400000000, -0.0004203400000000, 0.0059299100000000 ] - [ 0.0000751800000000, -0.0002320700000000, 0.0001795700000000 ] - [ -0.0000412800000000, -0.0002267800000000, 0.0002445100000000 ] - [ 0.0002577500000000, -0.0003124900000000, -0.0000489900000000 ] - [ 0.0002372700000000, -0.0003266800000000, -0.0001277100000000 ] - [ 0.1034937100000000, -0.0001880600000000, 0.0031113300000000 ] - [ 0.0001677100000000, -0.0001002900000000, 0.0002855200000000 ] - [ -0.0008848200000000, 0.0000343000000000, -0.0001075800000000 ] - [ 0.0001073100000000, 0.0000117700000000, -0.0001230500000000 ] - [ 0.0002183600000000, 0.0000183400000000, -0.0002268700000000 ] - [ -0.0000261600000000, -0.0000341500000000, -0.0000653900000000 ] - [ 0.0002539300000000, 0.0000892200000000, 0.0002687400000000 ] - [ 0.0002505000000000, 0.0000846900000000, 0.0002202600000000 ] - [ -0.0002213000000000, 0.0000752400000000, -0.0001159500000000 ] - [ -0.0001385200000000, 0.0000861700000000, -0.0001162300000000 ] - [ -0.0001646800000000, -0.0000609900000000, -0.0001416100000000 ] - [ -0.0000473700000000, -0.0000761500000000, -0.0000453600000000 ] - [ -0.0002458000000000, -0.0000517400000000, 0.0000690700000000 ] - [ -0.0001137000000000, -0.0000866400000000, -0.0002081500000000 ] - [ -0.0002134800000000, -0.0000360200000000, 0.0001034200000000 ] - [ -0.0000719800000000, 0.0000311500000000, -0.0001531400000000 ] - [ 0.0000666000000000, 0.0000860600000000, 0.0001784800000000 ] - [ -0.0000351400000000, -0.0002101600000000, 0.0002298600000000 ] - [ 0.0002959000000000, 0.0002042800000000, -0.0003799900000000 ] - [ 0.0000904100000000, -0.0000174600000000, -0.0001522200000000 ] - [ 0.0002623000000000, 0.0000697100000000, -0.0002700300000000 ] - [ -0.0004274200000000, 0.0005711200000000, -0.0001718900000000 ] - [ 0.0017732100000000, -0.0047873100000000, 0.0040368900000000 ] - [ -0.0000403500000000, 0.0000595000000000, 0.0003769900000000 ] - [ -0.0003081000000000, -0.0003020400000000, -0.0003917100000000 ] - [ -0.0002691200000000, -0.0002521900000000, -0.0002320600000000 ] - [ 0.0000664900000000, -0.0010840800000000, -0.0003493900000000 ] - [ -0.0002134600000000, -0.0002468900000000, 0.0002561900000000 ] - [ 0.0001219300000000, -0.0000985000000000, 0.0001686300000000 ] - [ 0.0001732200000000, 0.0002666400000000, 0.0001841200000000 ] - [ -0.0001768500000000, 0.0002534100000000, -0.0002693100000000 ] - [ -0.0004027200000000, 0.0003393600000000, -0.0002002200000000 ] - [ -0.0000583000000000, 0.0001898600000000, -0.0002000500000000 ] - [ 0.0000759000000000, 0.0002996200000000, -0.0002088800000000 ] - [ -0.0001658300000000, 0.0002765800000000, 0.0001718400000000 ] - [ -0.0002096300000000, 0.0002795200000000, 0.0001534300000000 ] - [ -0.0004062200000000, -0.0003244900000000, 0.0001719000000000 ] - [ -0.0002259200000000, -0.0002852900000000, 0.0000902000000000 ] - [ -0.0005284100000000, -0.0001551700000000, -0.0003984300000000 ] - [ -0.0000805300000000, -0.0002065800000000, -0.0002127800000000 ] - [ -0.0001027300000000, -0.0000221600000000, 0.0001539600000000 ] - [ -0.0000107500000000, 0.0000106200000000, 0.0001260100000000 ] - [ -0.0001935000000000, 0.0000000200000000, -0.0001630900000000 ] - [ -0.0001050900000000, 0.0000230700000000, -0.0001266700000000 ] - [ -0.0003416800000000, -0.0000089500000000, -0.0000929200000000 ] - [ -0.0003561800000000, 0.0000831100000000, -0.0004486600000000 ] - [ -0.0001123900000000, -0.0000535400000000, 0.0001452100000000 ] - [ -0.0001145300000000, 0.0000345500000000, 0.0001230900000000 ] - [ 0.0024522400000000, -0.0009447400000000, -0.0000067100000000 ] - [ -0.0004855500000000, 0.0002064800000000, -0.0000037400000000 ] - [ -0.0473171000000000, 0.0264324200000000, -0.0268427600000000 ] - [ -0.0000747000000000, -0.0000055400000000, -0.0004094300000000 ] - [ -0.0001823200000000, -0.0000428300000000, -0.0001447200000000 ] - [ -0.0003027000000000, -0.0000149800000000, -0.0003339100000000 ] - [ -0.0005617400000000, -0.0001211900000000, 0.0003571700000000 ] - [ -0.0000779900000000, -0.0000550500000000, -0.0000042400000000 ] - [ -0.0005558900000000, -0.0003281600000000, -0.0003479000000000 ] - [ -0.0001643800000000, -0.0001360900000000, -0.0001071100000000 ] - [ -0.0005867700000000, -0.0000336100000000, -0.0002062800000000 ] - [ -0.0002056700000000, -0.0000180800000000, -0.0002780100000000 ] - [ 0.0025301100000000, 0.0006069100000000, 0.0009723400000000 ] - [ -0.0001951400000000, 0.0003588200000000, -0.0000895600000000 ] - [ -0.0487985500000000, -0.0249731000000000, 0.0244790300000000 ] - [ -0.0001202500000000, 0.0003600500000000, -0.0004780900000000 ] - [ 0.0002563000000000, 0.0000348000000000, 0.0001071900000000 ] - [ 0.0000333300000000, -0.0000180100000000, 0.0001248800000000 ] - [ 0.0004081700000000, 0.0001865800000000, -0.0003059900000000 ] - [ 0.0001835400000000, 0.0000611600000000, -0.0000786900000000 ] - [ 0.0003716600000000, -0.0000094000000000, -0.0000942700000000 ] - [ 0.0005602400000000, -0.0003719100000000, -0.0000625800000000 ] - [ 0.0005990600000000, 0.0002665500000000, -0.0001371000000000 ] - [ 0.0002353300000000, -0.0002309700000000, 0.0003957500000000 ] - [ 0.0005129800000000, -0.0000672100000000, -0.0000571100000000 ] - [ 0.0003459600000000, -0.0001499300000000, -0.0000144200000000 ] - [ 0.0001932400000000, -0.0000501100000000, 0.0000990900000000 ] - [ 0.0004305800000000, 0.0002195900000000, 0.0004864600000000 ] - [ 0.0001348400000000, 0.0002089800000000, 0.0001495000000000 ] - [ -0.0001514200000000, 0.0000535600000000, 0.0001036200000000 ] - [ 0.0004391100000000, 0.0000925900000000, 0.0000784800000000 ] - [ 0.0002343300000000, 0.0001038200000000, -0.0000393800000000 ] - [ 0.0004097300000000, 0.0001418100000000, -0.0000637300000000 ] - [ 0.0000841700000000, 0.0001091500000000, 0.0000821200000000 ] - [ 0.0005837600000000, -0.0000358300000000, -0.0000076700000000 ] - [ 0.0001953400000000, 0.0002001700000000, -0.0000284300000000 ] - [ 0.0002427700000000, -0.0003008300000000, -0.0000280900000000 ] - [ 0.0002178500000000, -0.0002715300000000, 0.0004425200000000 ] - [ 0.0001143400000000, -0.0000461100000000, 0.0001008500000000 ] - [ 0.0001849500000000, -0.0001142700000000, -0.0000703100000000 ] - [ -0.0005002700000000, -0.0001789000000000, -0.0005410200000000 ] - [ -0.0000883700000000, 0.0000726500000000, -0.0001520200000000 ] - [ 0.0004024100000000, 0.0005075100000000, 0.0002704700000000 ] - [ 0.0000177900000000, 0.0002371100000000, 0.0000860400000000 ] - [ 0.0002421400000000, 0.0000914800000000, 0.0004091300000000 ] - [ 0.0007141500000000, 0.0000776200000000, -0.0000535400000000 ] - [ 0.0001186000000000, -0.0009970700000000, -0.0018802300000000 ] - [ -0.0007211100000000, 0.0003822100000000, -0.0001157500000000 ] - [ -0.0003326400000000, 0.0008556300000000, 0.0004859100000000 ] - [ -0.0000321700000000, 0.0001066100000000, -0.0001128400000000 ] - [ 0.0001902500000000, -0.0001676000000000, -0.0001070100000000 ] - [ -0.0000386200000000, 0.0001145400000000, 0.0000055100000000 ] - [ -0.0000541800000000, -0.0005900700000000, 0.0006535700000000 ] - [ 0.0001150000000000, -0.0002254200000000, -0.0001897300000000 ] - [ 0.0003271000000000, 0.0001135100000000, -0.0005118800000000 ] - [ -0.0006414500000000, -0.0005712800000000, -0.0002243900000000 ] - [ 0.0003928000000000, 0.0002053200000000, -0.0000285400000000 ] - [ -0.0000157500000000, 0.0001941000000000, 0.0000131900000000 ] - [ 0.0011927600000000, 0.0007414900000000, -0.0000513400000000 ] - [ -0.0000477400000000, 0.0002374100000000, 0.0000623000000000 ] - [ 0.0001239300000000, -0.0001744600000000, 0.0000541600000000 ] - [ -0.0000223100000000, -0.0000556200000000, 0.0001580500000000 ] - [ 0.0000437100000000, -0.0002357100000000, 0.0000245800000000 ] - [ 0.0000270500000000, -0.0002111700000000, -0.0000811200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000570400000000, 0.0002193900000000, 0.0000730300000000 ] - [ 0.0000767500000000, 0.0002547300000000, -0.0000239500000000 ] - [ 0.0072721600000000, 0.0033497200000000, 0.0009552100000000 ] - [ 0.0000029300000000, -0.0001641800000000, -0.0000442800000000 ] - [ 0.0000031800000000, 0.0002842000000000, 0.0000084700000000 ] - [ 0.0000122100000000, 0.0001949400000000, 0.0000582800000000 ] - [ -0.0064111400000000, 0.0032518300000000, -0.0003264600000000 ] - [ -0.0000201100000000, -0.0001622300000000, -0.0002230000000000 ] - [ -0.0002976000000000, -0.0001898200000000, 0.0001509200000000 ] - [ -0.0001010600000000, -0.0001566600000000, 0.0001841800000000 ] - [ 0.0002407200000000, -0.0002511200000000, -0.0004010900000000 ] - [ 0.0000440600000000, -0.0001935800000000, -0.0002810400000000 ] - [ 0.0001092200000000, 0.0000932300000000, -0.0002114600000000 ] - [ -0.0000009500000000, 0.0006518300000000, -0.0001414700000000 ] - [ 0.0003018700000000, 0.0001174800000000, 0.0002275300000000 ] - [ -0.0001660400000000, 0.0001116400000000, 0.0001470700000000 ] - [ -0.0000119400000000, 0.0000331000000000, 0.0005594600000000 ] - [ -0.0000168200000000, -0.0001411700000000, -0.0003289100000000 ] - [ 0.0003640700000000, -0.0001394200000000, -0.0000193800000000 ] - [ 0.0000956700000000, -0.0003054300000000, 0.0001760700000000 ] - [ 0.0004606800000000, -0.0000512800000000, 0.0008249800000000 ] - [ 0.0001261500000000, 0.0002031500000000, 0.0001329800000000 ] - [ -0.0001352300000000, 0.0002617400000000, -0.0000808200000000 ] - [ -0.0001001200000000, 0.0053293000000000, -0.0059144800000000 ] - [ -0.0003918700000000, -0.0015459500000000, 0.0005882100000000 ] - [ 0.0001782200000000, 0.0001882800000000, -0.0002322000000000 ] - [ 0.0000115900000000, 0.0000911400000000, 0.0001149700000000 ] - [ -0.0002202300000000, -0.0018717900000000, 0.0009342300000000 ] - [ -0.0000068800000000, 0.0000950300000000, 0.0002583800000000 ] - [ -0.0000460200000000, -0.0001212900000000, 0.0001586400000000 ] - [ 0.0001113700000000, -0.0000035300000000, -0.0002501900000000 ] - [ 0.0001107500000000, -0.0000849100000000, -0.0001814800000000 ] - [ 0.0008418600000000, -0.0701069000000000, 0.0510593300000000 ] - [ 0.0001639500000000, -0.0000893300000000, 0.0000148500000000 ] - [ -0.0000346500000000, -0.0011042400000000, -0.0001326500000000 ] - [ -0.0000606300000000, -0.0001230500000000, -0.0002317800000000 ] - [ -0.0000865300000000, 0.0001789500000000, -0.0000858200000000 ] - [ -0.0000379900000000, 0.0001478200000000, -0.0002585000000000 ] - [ 0.0001598900000000, 0.0002683400000000, 0.0003609600000000 ] - [ 0.0001599000000000, 0.0002689800000000, 0.0001993900000000 ] - [ -0.0000078000000000, -0.0000063300000000, -0.0000318300000000 ] - [ 0.0000510700000000, -0.0001366100000000, 0.0000863300000000 ] - [ 0.0001064700000000, 0.0000952400000000, 0.0001307300000000 ] - [ -0.0000138000000000, -0.0000109100000000, -0.0000384500000000 ] - [ 0.0000349900000000, -0.0001278100000000, -0.0000240500000000 ] - [ -0.0000497300000000, -0.0002489800000000, -0.0001102100000000 ] - [ -0.0000739100000000, 0.0002149200000000, 0.0001320800000000 ] - [ -0.0000542800000000, 0.0002269300000000, -0.0002413800000000 ] - [ -0.0001780700000000, 0.0003680800000000, 0.0003331600000000 ] - [ -0.0001176700000000, 0.0004250800000000, 0.0002022600000000 ] - [ 0.0001402400000000, 0.0003262100000000, -0.0003456600000000 ] - [ 0.0001325700000000, 0.0000862200000000, -0.0002196200000000 ] - [ 0.0000434400000000, -0.0000707900000000, -0.0003657100000000 ] - [ -0.0002905700000000, -0.0002733500000000, 0.0003072900000000 ] - [ -0.0004178400000000, 0.0051382200000000, -0.0043320000000000 ] - [ -0.0000949600000000, -0.0000876200000000, 0.0001651100000000 ] - [ -0.0003577500000000, -0.0003238600000000, -0.0002712200000000 ] - [ -0.0001820000000000, -0.0002599500000000, -0.0002092100000000 ] - [ 0.0007817900000000, 0.0007995300000000, 0.0010716600000000 ] - [ 0.0006291800000000, -0.0002344000000000, 0.0000028300000000 ] - [ 0.0003159900000000, 0.0006058400000000, 0.0002430700000000 ] - [ 0.0001837200000000, 0.0002782000000000, 0.0002435600000000 ] - [ -0.0001992600000000, 0.0002893300000000, -0.0002783800000000 ] - [ -0.0003738400000000, 0.0003144700000000, -0.0001143900000000 ] - [ 0.0002142600000000, 0.0004293200000000, -0.0001088000000000 ] - [ 0.0001387100000000, 0.0003923800000000, -0.0002454500000000 ] - [ -0.0001296400000000, 0.0003423600000000, 0.0001423400000000 ] - [ -0.0001735800000000, 0.0004331700000000, 0.0002905600000000 ] - [ 0.0000140300000000, -0.0003449800000000, 0.0001142000000000 ] - [ -0.0002020100000000, -0.0003765300000000, 0.0001679700000000 ] - [ 0.0000287300000000, -0.0004300700000000, -0.0002944300000000 ] - [ 0.0001700100000000, -0.0003234800000000, -0.0002213100000000 ] - [ 0.0000879600000000, 0.0002172000000000, 0.0000808200000000 ] - [ 0.0000570200000000, 0.0000782200000000, 0.0000944700000000 ] - [ -0.0000625700000000, 0.0002611500000000, 0.0000978700000000 ] - [ -0.0000462600000000, 0.0000773400000000, -0.0001564100000000 ] - [ -0.0000584100000000, -0.0001055400000000, -0.0000951600000000 ] - [ -0.0001505500000000, -0.0002480800000000, -0.0001959000000000 ] - [ 0.0001005900000000, -0.0001067800000000, 0.0000412200000000 ] - [ 0.0000140900000000, -0.0001066600000000, 0.0000951100000000 ] - [ 0.0018529700000000, 0.0030957900000000, -0.0022731700000000 ] - [ -0.0000244200000000, 0.0003128500000000, 0.0002165200000000 ] - [ -0.0229123300000000, 0.0267399900000000, -0.0208924400000000 ] - [ -0.0001212400000000, 0.0003173300000000, 0.0000105100000000 ] - [ -0.0001350800000000, -0.0004074200000000, -0.0001887900000000 ] - [ 0.0001340200000000, -0.0006194600000000, -0.0002218700000000 ] - [ -0.0001660700000000, -0.0005569600000000, 0.0000429400000000 ] - [ 0.0000033000000000, -0.0002753500000000, 0.0001259000000000 ] - [ -0.0002278200000000, -0.0005379800000000, -0.0004058200000000 ] - [ 0.0000223800000000, -0.0003973500000000, 0.0001316600000000 ] - [ -0.0002397600000000, -0.0002550400000000, -0.0000570700000000 ] - [ -0.0002806300000000, -0.0004368200000000, 0.0001973300000000 ] - [ -0.0021191200000000, 0.0036287400000000, -0.0029758000000000 ] - [ -0.0001625300000000, 0.0002038800000000, 0.0001703700000000 ] - [ 0.0226190600000000, 0.0248231300000000, -0.0175230100000000 ] - [ -0.0000354700000000, 0.0002594200000000, -0.0000071100000000 ] - [ 0.0001778000000000, -0.0005028500000000, -0.0003221600000000 ] - [ -0.0001184700000000, -0.0001404500000000, 0.0001965300000000 ] - [ 0.0000123900000000, -0.0003867000000000, -0.0001152400000000 ] - [ 0.0001041200000000, -0.0001473300000000, -0.0000660000000000 ] - [ 0.0000129900000000, 0.0001064600000000, -0.0000879800000000 ] - [ 0.0001218400000000, 0.0001931400000000, -0.0000133900000000 ] - [ -0.0000098900000000, 0.0001710700000000, 0.0001927000000000 ] - [ 0.0001034500000000, 0.0001810800000000, 0.0002529400000000 ] - [ 0.0001290600000000, 0.0000914400000000, 0.0000875600000000 ] - [ 0.0001576500000000, 0.0000974800000000, -0.0000952000000000 ] - [ -0.0002522100000000, 0.0000682300000000, -0.0000030000000000 ] - [ -0.0004026100000000, 0.0008043800000000, -0.0003212800000000 ] - [ -0.0003083800000000, -0.0003250600000000, -0.0002271000000000 ] - [ -0.0002104100000000, -0.0000181100000000, 0.0001285500000000 ] - [ 0.0000709200000000, -0.0002004400000000, -0.0001774200000000 ] - [ 0.0002002700000000, -0.0000071500000000, -0.0000307800000000 ] - [ -0.0001638100000000, 0.0002830300000000, -0.0000160300000000 ] - [ 0.0000367800000000, 0.0001646000000000, 0.0000664700000000 ] - [ -0.0001922000000000, 0.0005634700000000, -0.0004270700000000 ] - [ 0.0000500500000000, 0.0001712200000000, 0.0001105900000000 ] - [ 0.0001236300000000, -0.0000881300000000, -0.0000490500000000 ] - [ 0.0002385000000000, -0.0003537300000000, 0.0005484400000000 ] - [ -0.0000007100000000, -0.0001398800000000, -0.0000927900000000 ] - [ -0.0000164000000000, -0.0001985700000000, 0.0000547700000000 ] - [ 0.0001157200000000, -0.0007838500000000, -0.0004997800000000 ] - [ -0.0000891200000000, 0.0001390700000000, -0.0000122000000000 ] - [ -0.0004501300000000, -0.0002151500000000, -0.0002857400000000 ] - [ 0.0000683100000000, 0.0001835100000000, 0.0001200400000000 ] - [ 0.0001831500000000, -0.0000717900000000, -0.0000552000000000 ] - [ 0.0000326800000000, 0.0000039900000000, 0.0001395600000000 ] - [ 0.0000623100000000, 0.0009587200000000, 0.0003781700000000 ] - [ -0.0003967300000000, 0.0001528500000000, 0.0005033600000000 ] - [ -0.0000205400000000, -0.0010142400000000, -0.0004723300000000 ] - [ -0.0000065200000000, 0.0001015900000000, 0.0000435700000000 ] - [ 0.0002755800000000, -0.0002086100000000, -0.0002243700000000 ] - [ 0.0000300700000000, 0.0000774400000000, 0.0001044500000000 ] - [ 0.0004613500000000, -0.0002995200000000, 0.0007985800000000 ] - [ 0.0000611900000000, -0.0002020400000000, -0.0000071400000000 ] - [ -0.0004602600000000, -0.0005363900000000, 0.0005473200000000 ] - [ -0.0000313000000000, -0.0003696900000000, -0.0008513900000000 ] - [ 0.0000756700000000, 0.0003104600000000, -0.0000764600000000 ] - [ 0.0000193600000000, 0.0002376400000000, 0.0000043500000000 ] - [ -0.0007110500000000, 0.0000676400000000, -0.0001616900000000 ] - [ -0.0000080000000000, 0.0003002300000000, 0.0001855600000000 ] - [ -0.0000298900000000, -0.0003445700000000, 0.0001059200000000 ] - [ -0.0000085300000000, -0.0005345000000000, -0.0000955500000000 ] - [ 0.0000120000000000, -0.0003427900000000, -0.0000233000000000 ] - [ -0.0000257500000000, -0.0002575600000000, -0.0000711400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000584700000000, -0.0000436200000000, -0.0000760800000000 ] - [ -0.0000765000000000, -0.0000766500000000, 0.0000241100000000 ] - [ -0.0071778900000000, -0.0034801800000000, -0.0009355900000000 ] - [ -0.0000035200000000, -0.0000126900000000, 0.0000441700000000 ] - [ -0.0000015300000000, -0.0003212800000000, -0.0000076000000000 ] - [ -0.0000132200000000, -0.0002307300000000, -0.0000573100000000 ] - [ 0.0065134400000000, -0.0032710000000000, 0.0003186500000000 ] - [ 0.0000206700000000, 0.0002006100000000, 0.0002218200000000 ] - [ 0.0000949300000000, 0.0001118900000000, 0.0002427900000000 ] - [ -0.0000996000000000, 0.0000791400000000, 0.0002102700000000 ] - [ -0.0000339600000000, 0.0001783400000000, 0.0000037900000000 ] - [ 0.0001568900000000, 0.0001156400000000, -0.0001152100000000 ] - [ 0.0000928200000000, -0.0000186100000000, -0.0001853100000000 ] - [ 0.0002030500000000, -0.0005686600000000, -0.0002553900000000 ] - [ -0.0005026400000000, -0.0000427300000000, 0.0001687000000000 ] - [ -0.0000348100000000, -0.0000351400000000, 0.0002480700000000 ] - [ -0.0002529700000000, -0.0004755700000000, -0.0009565500000000 ] - [ -0.0002497500000000, -0.0003107700000000, -0.0000800100000000 ] - [ -0.0000966300000000, -0.0003119500000000, 0.0004239500000000 ] - [ 0.0001716200000000, -0.0001494100000000, 0.0002309200000000 ] - [ -0.0001918400000000, 0.0005006200000000, -0.0004130300000000 ] - [ 0.0001407600000000, 0.0002480500000000, 0.0002739500000000 ] - [ -0.0001261700000000, 0.0001849100000000, -0.0003373700000000 ] - [ -0.0001631500000000, -0.0047991000000000, 0.0054134400000000 ] - [ 0.0005963000000000, 0.0020401600000000, -0.0009781600000000 ] - [ 0.0000429000000000, 0.0002968100000000, -0.0001555700000000 ] - [ -0.0002363200000000, 0.0003967600000000, 0.0002698600000000 ] - [ -0.0000264000000000, 0.0023552600000000, -0.0005343800000000 ] - [ -0.0002136400000000, -0.0005805900000000, 0.0001329100000000 ] - [ -0.0001755700000000, -0.0003646600000000, 0.0002277600000000 ] - [ 0.0001106600000000, -0.0004818400000000, -0.0001392700000000 ] - [ 0.0001110100000000, -0.0004009400000000, -0.0002044900000000 ] - [ -0.0022986700000000, 0.0701632700000000, -0.0509134600000000 ] - [ -0.0000241400000000, 0.0000885100000000, 0.0002802600000000 ] - [ -0.0001059200000000, 0.0011027300000000, -0.0001629800000000 ] - [ -0.0000794800000000, 0.0001213200000000, -0.0000645600000000 ] - [ -0.0000547000000000, -0.0001765200000000, -0.0002093000000000 ] - [ -0.0001014100000000, -0.0001475400000000, -0.0000358600000000 ] - [ -0.0000186400000000, -0.0002664100000000, -0.0000641300000000 ] - [ -0.0000186300000000, -0.0002664600000000, 0.0000963100000000 ] - [ 0.0000100500000000, 0.0001847300000000, 0.0000336900000000 ] - [ -0.0000491200000000, 0.0003148400000000, -0.0000859700000000 ] - [ -0.0001076800000000, -0.0002724500000000, -0.0001308400000000 ] - [ 0.0000114200000000, -0.0001665400000000, 0.0000366400000000 ] - [ -0.0000355800000000, 0.0000924700000000, 0.0000252000000000 ] - [ 0.0000507700000000, 0.0002118100000000, 0.0001094800000000 ] - [ 0.0000728100000000, -0.0001787700000000, -0.0001317900000000 ] - [ 0.0000542800000000, -0.0001911400000000, 0.0002394800000000 ] - [ -0.0000210500000000, -0.0004453800000000, 0.0000597900000000 ] - [ -0.0000830900000000, -0.0005001000000000, 0.0001935900000000 ] - [ 0.0000588600000000, -0.0004036200000000, -0.0000478400000000 ] - [ 0.0000708900000000, -0.0001600700000000, -0.0001782000000000 ] - [ 0.0001567300000000, 0.0001484200000000, -0.0000297400000000 ] - [ 0.0004937900000000, 0.0003524900000000, -0.0007094900000000 ] - [ 0.0002145600000000, -0.0051457100000000, 0.0048243300000000 ] - [ -0.0001054000000000, 0.0001648400000000, 0.0002301900000000 ] - [ 0.0000918100000000, -0.0001270600000000, -0.0001348100000000 ] - [ -0.0000855700000000, -0.0001917700000000, -0.0001989400000000 ] - [ -0.0005251400000000, -0.0012667900000000, -0.0006757700000000 ] - [ -0.0003629800000000, -0.0002149500000000, 0.0004035000000000 ] - [ -0.0000483800000000, -0.0001599600000000, 0.0001650500000000 ] - [ 0.0000853300000000, 0.0001759500000000, 0.0001647400000000 ] - [ -0.0000664300000000, 0.0001608100000000, -0.0001258400000000 ] - [ 0.0001077000000000, 0.0001373400000000, -0.0002922700000000 ] - [ 0.0000061300000000, 0.0000551200000000, -0.0002789100000000 ] - [ 0.0000812000000000, 0.0000919400000000, -0.0001414700000000 ] - [ -0.0000932000000000, 0.0001445300000000, 0.0002459000000000 ] - [ -0.0000485200000000, 0.0000522200000000, 0.0000961600000000 ] - [ -0.0002346100000000, -0.0001382600000000, 0.0002730200000000 ] - [ -0.0000170300000000, -0.0001084400000000, 0.0002202200000000 ] - [ 0.0001968100000000, -0.0000560900000000, -0.0000929800000000 ] - [ 0.0000517000000000, -0.0001616200000000, -0.0001669800000000 ] - [ 0.0000510900000000, -0.0002190100000000, 0.0002144100000000 ] - [ 0.0000841500000000, -0.0000786900000000, 0.0001997600000000 ] - [ -0.0000777000000000, -0.0002634900000000, -0.0003937400000000 ] - [ -0.0000915800000000, -0.0000805300000000, -0.0001397300000000 ] - [ -0.0000814000000000, 0.0001065400000000, -0.0001985000000000 ] - [ 0.0000144700000000, 0.0002479900000000, -0.0000935600000000 ] - [ 0.0000396300000000, 0.0001109000000000, 0.0002563600000000 ] - [ 0.0001252600000000, 0.0001101600000000, 0.0002012600000000 ] - [ -0.0018962600000000, -0.0030163300000000, 0.0025081700000000 ] - [ -0.0000174200000000, -0.0002119800000000, -0.0000041500000000 ] - [ 0.0237098900000000, -0.0270583600000000, 0.0215034800000000 ] - [ 0.0001630600000000, -0.0002153500000000, -0.0002211400000000 ] - [ 0.0001766900000000, 0.0003037700000000, -0.0000243900000000 ] - [ -0.0000945200000000, 0.0005163100000000, 0.0000101300000000 ] - [ 0.0001231100000000, 0.0004547600000000, 0.0001686100000000 ] - [ -0.0000444900000000, 0.0001728400000000, 0.0000887200000000 ] - [ 0.0005025500000000, 0.0002853200000000, 0.0002548000000000 ] - [ 0.0002537300000000, 0.0001406500000000, -0.0002791900000000 ] - [ -0.0000374800000000, 0.0000039200000000, 0.0002041800000000 ] - [ 0.0000043200000000, 0.0001787800000000, -0.0000467300000000 ] - [ 0.0018450400000000, -0.0033536600000000, 0.0031053300000000 ] - [ -0.0001146600000000, 0.0000516300000000, -0.0000206900000000 ] - [ -0.0216314900000000, -0.0242004100000000, 0.0166792600000000 ] - [ 0.0003151700000000, -0.0000085600000000, -0.0001364000000000 ] - [ -0.0002173400000000, 0.0006041000000000, 0.0005316800000000 ] - [ 0.0000733000000000, 0.0002463800000000, 0.0000189300000000 ] - [ 0.0000311300000000, 0.0004896000000000, -0.0000979900000000 ] - [ -0.0000625600000000, 0.0002491600000000, -0.0001453500000000 ] - [ 0.0000293800000000, -0.0002119500000000, -0.0001252000000000 ] - [ -0.0000802700000000, -0.0002949600000000, -0.0001996200000000 ] - [ -0.0000341900000000, -0.0002775600000000, 0.0000198600000000 ] - [ -0.0001486700000000, -0.0002770100000000, -0.0000436900000000 ] - [ 0.0001476400000000, -0.0003476100000000, -0.0002367700000000 ] - [ 0.0001194600000000, -0.0003532600000000, -0.0000525200000000 ] - [ -0.0000251700000000, -0.0003230400000000, 0.0001511700000000 ] - [ 0.0001177400000000, -0.0010677000000000, 0.0004654200000000 ] - [ 0.0000337300000000, 0.0005830400000000, 0.0003779600000000 ] - [ -0.0000671300000000, 0.0002734400000000, 0.0000207000000000 ] - [ 0.0002058800000000, 0.0004551800000000, 0.0000289800000000 ] - [ 0.0000766500000000, 0.0002617100000000, -0.0001176300000000 ] - [ 0.0001334900000000, 0.0000001300000000, -0.0000284400000000 ] - [ -0.0000656300000000, 0.0001184700000000, -0.0001097200000000 ] - [ 0.0001971800000000, -0.0002779900000000, 0.0004645500000000 ] - [ -0.0000228500000000, 0.0001111700000000, -0.0000649300000000 ] - [ -0.0000947900000000, -0.0001922300000000, 0.0000915000000000 ] - [ -0.0002063000000000, 0.0000694100000000, -0.0004976300000000 ] - [ -0.0000280900000000, -0.0001418900000000, 0.0000475800000000 ] - [ -0.0000124700000000, -0.0000834900000000, -0.0000984700000000 ] - [ -0.0002046000000000, 0.0011944000000000, 0.0003787300000000 ] - [ 0.0000014800000000, 0.0002763300000000, -0.0001061300000000 ] - [ 0.0005332200000000, 0.0006234000000000, 0.0004021600000000 ] - [ 0.0000194000000000, 0.0002296500000000, -0.0000000300000000 ] - [ -0.0000928800000000, -0.0003394100000000, 0.0001731700000000 ] - [ 0.0000572700000000, -0.0004154800000000, -0.0000186500000000 ] - [ -0.0001561100000000, -0.0013682700000000, -0.0004823200000000 ] - [ 0.0003054500000000, -0.0005622700000000, -0.0006226800000000 ] - [ -0.0000096800000000, 0.0013001200000000, 0.0004307400000000 ] - [ -0.0000226700000000, 0.0001809200000000, -0.0000871000000000 ] - [ -0.0002492000000000, 0.0004939900000000, 0.0002712500000000 ] - [ -0.0000006200000000, 0.0002047200000000, -0.0000603600000000 ] - [ -0.0004323900000000, 0.0000153600000000, -0.0007607300000000 ] - [ -0.0000320800000000, -0.0000804500000000, 0.0000521500000000 ] - [ 0.0004348200000000, 0.0002543200000000, -0.0005997300000000 ] - [ 0.0000038500000000, 0.0000854200000000, 0.0008109500000000 ] - [ -0.0001646000000000, 0.0001021200000000, -0.0000425900000000 ] - [ -0.0001072400000000, 0.0001745900000000, -0.0001238100000000 ] - [ 0.0007970600000000, 0.0003500400000000, 0.0002820600000000 ] - [ 0.0000961500000000, 0.0001118100000000, -0.0000665800000000 ] - [ 0.0001179500000000, -0.0000684300000000, 0.0000122200000000 ] - [ 0.0000964700000000, 0.0001216000000000, 0.0002157600000000 ] - [ -0.0001002700000000, -0.0000695400000000, -0.0000966900000000 ] - [ -0.0000619800000000, -0.0001550200000000, -0.0000477000000000 ]- atom: 33 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0000883700000000, 0.0002147900000000, 0.0000873300000000 ] - [ -0.0000289500000000, -0.0000454400000000, 0.0000382300000000 ] - [ -0.0017216200000000, -0.0008466100000000, -0.0020232200000000 ] - [ 0.0001451200000000, -0.0000950500000000, 0.0003498000000000 ] - [ 0.0000585500000000, -0.0002024000000000, -0.0000691200000000 ] - [ -0.0000236800000000, -0.0000929600000000, 0.0000632300000000 ] - [ -0.0009422900000000, 0.0021793600000000, -0.0020227900000000 ] - [ -0.0000666500000000, -0.0000348600000000, 0.0005854300000000 ] - [ -0.0003179300000000, 0.0001546800000000, 0.0001530500000000 ] - [ 0.0000558900000000, -0.0000129800000000, 0.0001821600000000 ] - [ -0.0003569400000000, 0.0001245500000000, -0.0005041100000000 ] - [ 0.0003159600000000, 0.0000191700000000, -0.0000389200000000 ] - [ 0.0000422200000000, 0.0000787400000000, -0.0001018900000000 ] - [ 0.0001851700000000, -0.0007479100000000, -0.0003221000000000 ] - [ -0.0002815900000000, -0.0000243800000000, 0.0000716300000000 ] - [ -0.0000297300000000, 0.0000131100000000, 0.0002847400000000 ] - [ -0.0000424400000000, 0.0000699700000000, -0.0008673900000000 ] - [ -0.0002071000000000, -0.0004857300000000, 0.0000833600000000 ] - [ 0.0000685100000000, -0.0004290400000000, 0.0001524100000000 ] - [ 0.0002179000000000, 0.0000666900000000, 0.0003389200000000 ] - [ 0.0002855200000000, 0.0006343300000000, -0.0003384900000000 ] - [ 0.0001100700000000, 0.0001871700000000, 0.0005926700000000 ] - [ -0.0008014400000000, 0.0007919800000000, 0.0015735300000000 ] - [ 0.0006328300000000, -0.0045023700000000, 0.0034213500000000 ] - [ 0.0055471800000000, 0.0005646300000000, 0.0015972900000000 ] - [ 0.0000398200000000, 0.0001440700000000, -0.0000047200000000 ] - [ 0.0002119600000000, -0.0000289600000000, 0.0005877100000000 ] - [ -0.0087987500000000, 0.0005285700000000, 0.0053890700000000 ] - [ -0.0001301000000000, -0.0003829800000000, 0.0001138000000000 ] - [ -0.0001586300000000, -0.0003090600000000, 0.0002632100000000 ] - [ 0.0000850800000000, -0.0002830000000000, -0.0001468800000000 ] - [ 0.0001323100000000, -0.0002471100000000, -0.0001318800000000 ] - [ 0.0219893900000000, 0.0483425500000000, -0.0646582300000000 ] - [ -0.0000227700000000, -0.0001553600000000, 0.0006421600000000 ] - [ -0.0003538000000000, -0.0000060000000000, -0.0012049200000000 ] - [ -0.0000311400000000, 0.0000835800000000, 0.0003172300000000 ] - [ 0.0000774400000000, 0.0000652600000000, -0.0003513600000000 ] - [ -0.0001338500000000, -0.0001152500000000, -0.0000163600000000 ] - [ 0.0000471200000000, -0.0000251300000000, 0.0001592600000000 ] - [ 0.0000011000000000, -0.0001794300000000, 0.0001484600000000 ] - [ -0.0000992500000000, 0.0000199000000000, -0.0000757100000000 ] - [ 0.0000211000000000, 0.0002410500000000, -0.0000507900000000 ] - [ -0.0001649000000000, -0.0001939900000000, -0.0002469100000000 ] - [ 0.0000382300000000, -0.0001106600000000, 0.0000868900000000 ] - [ -0.0000275000000000, 0.0000582400000000, -0.0000213900000000 ] - [ 0.0000412800000000, 0.0001787800000000, 0.0001469400000000 ] - [ 0.0000655000000000, -0.0001263100000000, -0.0002105200000000 ] - [ 0.0000063700000000, -0.0000698300000000, 0.0002709900000000 ] - [ -0.0000004700000000, -0.0000128200000000, 0.0000428300000000 ] - [ -0.0001063600000000, -0.0002890500000000, 0.0002086200000000 ] - [ 0.0002399200000000, -0.0000946600000000, -0.0003096700000000 ] - [ 0.0000620800000000, -0.0000632800000000, -0.0001194300000000 ] - [ 0.0002697700000000, -0.0000862900000000, 0.0000229300000000 ] - [ -0.0006667800000000, 0.0009892000000000, -0.0005395700000000 ] - [ 0.0006070200000000, -0.0063219200000000, 0.0045420700000000 ] - [ -0.0001354200000000, 0.0001327600000000, 0.0005080100000000 ] - [ -0.0001361600000000, -0.0003024000000000, -0.0004248000000000 ] - [ -0.0001381400000000, -0.0001873500000000, -0.0000878300000000 ] - [ 0.0002549300000000, -0.0002377700000000, -0.0004434300000000 ] - [ -0.0003007200000000, -0.0002205400000000, 0.0004368100000000 ] - [ 0.0000288600000000, -0.0003079900000000, 0.0000685300000000 ] - [ 0.0001461700000000, 0.0002403800000000, 0.0003004500000000 ] - [ -0.0000888600000000, 0.0002023300000000, -0.0001643400000000 ] - [ -0.0002191700000000, 0.0002429500000000, -0.0002970900000000 ] - [ 0.0000015700000000, 0.0001159700000000, -0.0003582300000000 ] - [ 0.0001147300000000, 0.0001675000000000, -0.0001088800000000 ] - [ -0.0001418600000000, 0.0002153000000000, 0.0002854500000000 ] - [ -0.0000684800000000, 0.0001121900000000, 0.0000066900000000 ] - [ -0.0003706800000000, -0.0002506900000000, 0.0002043100000000 ] - [ 0.0000580400000000, -0.0001429900000000, 0.0003330100000000 ] - [ -0.0001356700000000, -0.0000141700000000, -0.0003695700000000 ] - [ 0.0000505800000000, -0.0002116800000000, -0.0001570800000000 ] - [ 0.0000159300000000, -0.0000698700000000, 0.0000460000000000 ] - [ 0.0000713500000000, -0.0000486100000000, 0.0002237600000000 ] - [ -0.0000955000000000, -0.0002361400000000, -0.0004398100000000 ] - [ -0.0000960600000000, 0.0000142400000000, -0.0000484600000000 ] - [ -0.0001915400000000, 0.0000484900000000, -0.0000934400000000 ] - [ 0.0001512600000000, -0.0000277900000000, 0.0001870700000000 ] - [ 0.0000428200000000, 0.0000378100000000, 0.0001218700000000 ] - [ 0.0000230300000000, 0.0001127700000000, 0.0001164200000000 ] - [ 0.0027776600000000, -0.0027550800000000, 0.0031047500000000 ] - [ -0.0004539200000000, 0.0004017800000000, -0.0003133400000000 ] - [ 0.0119895300000000, -0.0153607200000000, 0.0204947300000000 ] - [ 0.0000883000000000, -0.0001402400000000, -0.0007023400000000 ] - [ 0.0000140400000000, 0.0000147200000000, -0.0000449400000000 ] - [ 0.0000701300000000, 0.0002217700000000, -0.0001278800000000 ] - [ -0.0001607800000000, 0.0000790500000000, 0.0003182100000000 ] - [ 0.0000042200000000, 0.0000323500000000, 0.0000152100000000 ] - [ 0.0001156400000000, -0.0002673900000000, 0.0001915400000000 ] - [ 0.0002107900000000, 0.0000776900000000, -0.0003186700000000 ] - [ -0.0003492000000000, -0.0002509600000000, -0.0000202200000000 ] - [ 0.0000162500000000, 0.0000877200000000, 0.0000239100000000 ] - [ -0.0010392000000000, -0.0025573600000000, 0.0034808500000000 ] - [ -0.0000238400000000, 0.0002644000000000, -0.0004714800000000 ] - [ -0.0314064000000000, -0.0211655600000000, 0.0260125700000000 ] - [ 0.0000283000000000, 0.0003985300000000, -0.0009383000000000 ] - [ -0.0002821200000000, 0.0005151900000000, 0.0007424600000000 ] - [ 0.0000992000000000, 0.0000929400000000, -0.0001044600000000 ] - [ 0.0000555900000000, 0.0002691400000000, 0.0001313800000000 ] - [ -0.0000421700000000, 0.0001286500000000, -0.0002388200000000 ] - [ 0.0000338200000000, -0.0000930100000000, -0.0000321700000000 ] - [ 0.0002130100000000, -0.0006688100000000, -0.0001341300000000 ] - [ 0.0002805800000000, -0.0001459600000000, 0.0000646700000000 ] - [ -0.0001699900000000, -0.0000147700000000, -0.0000481800000000 ] - [ 0.0003257700000000, 0.0000101900000000, 0.0000709100000000 ] - [ 0.0000606800000000, -0.0003052200000000, -0.0000906400000000 ] - [ 0.0000469500000000, -0.0000615100000000, 0.0000275600000000 ] - [ -0.0001703800000000, -0.0004953000000000, 0.0005895700000000 ] - [ 0.0001022200000000, 0.0004927200000000, 0.0005510300000000 ] - [ -0.0001262600000000, 0.0001379800000000, -0.0000906300000000 ] - [ 0.0003150300000000, 0.0002702500000000, 0.0002868000000000 ] - [ 0.0001162800000000, 0.0001655900000000, -0.0001778000000000 ] - [ 0.0000453200000000, 0.0001712800000000, 0.0001660300000000 ] - [ -0.0000560400000000, 0.0001325400000000, -0.0001975400000000 ] - [ -0.0003388200000000, 0.0003091500000000, -0.0001357600000000 ] - [ 0.0002896800000000, 0.0002121700000000, -0.0002440000000000 ] - [ 0.0001770100000000, -0.0002866700000000, 0.0001345500000000 ] - [ -0.0001914000000000, 0.0000339400000000, -0.0004641000000000 ] - [ -0.0000774100000000, -0.0002046600000000, 0.0000250000000000 ] - [ -0.0000222100000000, -0.0000355500000000, -0.0001035100000000 ] - [ 0.0000312100000000, 0.0009834400000000, 0.0006246400000000 ] - [ -0.0000479700000000, -0.0000239100000000, -0.0003269100000000 ] - [ 0.0002134400000000, 0.0002627300000000, 0.0003424700000000 ] - [ 0.0000144500000000, 0.0002258300000000, -0.0001042400000000 ] - [ -0.0003351000000000, -0.0005608800000000, -0.0001995600000000 ] - [ 0.0008180800000000, 0.0000954600000000, 0.0002180500000000 ] - [ 0.0009476000000000, -0.0005997000000000, 0.0012658500000000 ] - [ -0.0002549100000000, -0.0000013500000000, -0.0011199500000000 ] - [ -0.0002430300000000, 0.0012109100000000, 0.0007553800000000 ] - [ 0.0000176700000000, 0.0001075300000000, -0.0002007900000000 ] - [ 0.0000331400000000, -0.0001312800000000, 0.0001406600000000 ] - [ -0.0000294100000000, 0.0002226600000000, -0.0001024600000000 ] - [ -0.0003468200000000, 0.0002907200000000, 0.0004546800000000 ] - [ 0.0000872300000000, -0.0002159400000000, -0.0002364100000000 ] - [ 0.0004738600000000, 0.0002538200000000, -0.0006689900000000 ] - [ -0.0003093800000000, -0.0010151700000000, -0.0000629100000000 ] - [ 0.0002809700000000, 0.0002174700000000, 0.0001437300000000 ] - [ -0.0001463000000000, 0.0002148500000000, -0.0001886600000000 ] - [ 0.0010752800000000, 0.0006147400000000, 0.0000141100000000 ] - [ 0.0000474400000000, 0.0001345400000000, -0.0001793400000000 ] - [ 0.0001633700000000, -0.0001204800000000, 0.0000154900000000 ] - [ 0.0000259700000000, -0.0000360000000000, 0.0001354200000000 ] - [ -0.0000593000000000, -0.0001605000000000, -0.0000155200000000 ] - [ -0.0000384700000000, -0.0001947300000000, -0.0001239400000000 ]- atom: 33 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ -0.0000882400000000, -0.0000379800000000, -0.0000871000000000 ] - [ 0.0000263800000000, 0.0002201000000000, -0.0000392700000000 ] - [ 0.0017082000000000, 0.0006647000000000, 0.0020325800000000 ] - [ -0.0001444800000000, -0.0000818800000000, -0.0003483300000000 ] - [ -0.0000600700000000, 0.0001648000000000, 0.0000699000000000 ] - [ 0.0000241900000000, 0.0000558800000000, -0.0000616500000000 ] - [ 0.0009126600000000, -0.0021353400000000, 0.0020256200000000 ] - [ 0.0000653900000000, 0.0000689100000000, -0.0005835400000000 ] - [ 0.0001214700000000, -0.0002350100000000, 0.0002402500000000 ] - [ -0.0002577500000000, -0.0000652200000000, 0.0002098900000000 ] - [ 0.0005555100000000, -0.0001991700000000, 0.0001050600000000 ] - [ -0.0001172400000000, -0.0000982700000000, -0.0003557600000000 ] - [ 0.0001572900000000, -0.0000006800000000, -0.0002917100000000 ] - [ 0.0000151500000000, 0.0008352600000000, -0.0000730200000000 ] - [ 0.0000807400000000, 0.0001025400000000, 0.0003215400000000 ] - [ -0.0001694500000000, 0.0000653600000000, 0.0001089000000000 ] - [ -0.0002233900000000, -0.0005241000000000, 0.0004541000000000 ] - [ -0.0000568000000000, 0.0000369500000000, -0.0004872100000000 ] - [ 0.0001959600000000, -0.0000217600000000, 0.0002558100000000 ] - [ 0.0000469000000000, -0.0005181700000000, 0.0000655400000000 ] - [ -0.0000218100000000, -0.0001840300000000, 0.0007415300000000 ] - [ 0.0001563100000000, 0.0002637100000000, -0.0001871900000000 ] - [ 0.0005280600000000, -0.0003351900000000, -0.0019575100000000 ] - [ -0.0009013600000000, 0.0050070000000000, -0.0038920900000000 ] - [ -0.0052877300000000, -0.0000679800000000, -0.0019754000000000 ] - [ 0.0001813600000000, 0.0003420700000000, -0.0003849600000000 ] - [ -0.0004295900000000, 0.0005126500000000, -0.0001990400000000 ] - [ 0.0087244100000000, -0.0000562200000000, -0.0050861800000000 ] - [ -0.0000927700000000, -0.0001044600000000, 0.0002728000000000 ] - [ -0.0000622600000000, -0.0001761800000000, 0.0001276500000000 ] - [ 0.0001349900000000, -0.0002024700000000, -0.0002390600000000 ] - [ 0.0000888300000000, -0.0002377700000000, -0.0002577300000000 ] - [ -0.0234309300000000, -0.0492313500000000, 0.0655242500000000 ] - [ 0.0001633800000000, 0.0001515500000000, -0.0003445400000000 ] - [ 0.0002126200000000, 0.0000039300000000, 0.0009136600000000 ] - [ -0.0001048600000000, -0.0000849600000000, -0.0006120000000000 ] - [ -0.0002150100000000, -0.0000628500000000, 0.0000554700000000 ] - [ -0.0000056800000000, 0.0001187500000000, -0.0002796900000000 ] - [ 0.0000940800000000, 0.0000270200000000, 0.0001351000000000 ] - [ 0.0001384200000000, 0.0001814800000000, 0.0001475400000000 ] - [ 0.0000976600000000, 0.0001571900000000, 0.0000740800000000 ] - [ -0.0000209300000000, -0.0000649200000000, 0.0000496000000000 ] - [ 0.0001637400000000, 0.0000154500000000, 0.0002464100000000 ] - [ -0.0000377900000000, -0.0000652100000000, -0.0000849900000000 ] - [ 0.0000271000000000, -0.0000949000000000, 0.0000220600000000 ] - [ -0.0000420300000000, -0.0002170400000000, -0.0001452800000000 ] - [ -0.0000663400000000, 0.0001641400000000, 0.0002102200000000 ] - [ -0.0000072800000000, 0.0001066900000000, -0.0002716700000000 ] - [ -0.0001996100000000, -0.0000646500000000, 0.0003525100000000 ] - [ -0.0000920400000000, 0.0002107400000000, 0.0001826600000000 ] - [ -0.0000397300000000, 0.0000192700000000, -0.0000868100000000 ] - [ 0.0001362200000000, -0.0000152700000000, -0.0002731000000000 ] - [ -0.0000686600000000, 0.0001626000000000, -0.0004187500000000 ] - [ 0.0008668300000000, -0.0009187100000000, 0.0001497500000000 ] - [ -0.0008041800000000, 0.0063153600000000, -0.0040776900000000 ] - [ -0.0000645300000000, -0.0000562100000000, -0.0001144300000000 ] - [ -0.0001294500000000, -0.0001472000000000, 0.0000192400000000 ] - [ -0.0001250200000000, -0.0002611900000000, -0.0003149800000000 ] - [ 0.0000159900000000, -0.0001985600000000, 0.0008572800000000 ] - [ 0.0005651400000000, -0.0002295000000000, -0.0000315600000000 ] - [ 0.0002362800000000, 0.0007491700000000, 0.0003372800000000 ] - [ 0.0001188900000000, 0.0002096000000000, 0.0001055500000000 ] - [ -0.0001771000000000, 0.0002487500000000, -0.0002417500000000 ] - [ -0.0000474700000000, 0.0002068100000000, -0.0001069900000000 ] - [ 0.0002187800000000, 0.0003691200000000, -0.0000330600000000 ] - [ 0.0001070000000000, 0.0003193000000000, -0.0002803000000000 ] - [ -0.0000800900000000, 0.0002711200000000, 0.0001021200000000 ] - [ -0.0001539600000000, 0.0003749900000000, 0.0003830400000000 ] - [ 0.0001478700000000, -0.0002352700000000, 0.0001853200000000 ] - [ -0.0002812200000000, -0.0003452500000000, 0.0000571500000000 ] - [ 0.0003586400000000, -0.0004707900000000, -0.0000197100000000 ] - [ 0.0001700700000000, -0.0002739900000000, -0.0002319100000000 ] - [ 0.0001245500000000, 0.0000679700000000, 0.0002488500000000 ] - [ 0.0000683000000000, 0.0000461700000000, 0.0000723800000000 ] - [ -0.0000454100000000, 0.0002343800000000, 0.0001446600000000 ] - [ -0.0000429200000000, -0.0000151300000000, -0.0002453800000000 ] - [ 0.0000520400000000, -0.0000457300000000, -0.0002004900000000 ] - [ -0.0002929200000000, 0.0000283400000000, -0.0004913100000000 ] - [ 0.0000972300000000, -0.0000361400000000, 0.0001730800000000 ] - [ 0.0001191900000000, -0.0001112400000000, 0.0001784900000000 ] - [ -0.0028176500000000, 0.0028866800000000, -0.0029249700000000 ] - [ 0.0004042900000000, -0.0002923600000000, 0.0005274100000000 ] - [ -0.0116334300000000, 0.0151538300000000, -0.0206332300000000 ] - [ -0.0000449800000000, 0.0002430300000000, 0.0004896400000000 ] - [ 0.0000301400000000, -0.0001192300000000, -0.0001679700000000 ] - [ -0.0000271400000000, -0.0003255900000000, -0.0000850400000000 ] - [ 0.0001162800000000, -0.0001816100000000, -0.0001014500000000 ] - [ -0.0000457400000000, -0.0001345800000000, 0.0001950100000000 ] - [ 0.0001634400000000, 0.0000121300000000, -0.0003353400000000 ] - [ 0.0000652300000000, -0.0003336800000000, 0.0001674600000000 ] - [ 0.0000706500000000, -0.0000027700000000, 0.0001674400000000 ] - [ -0.0002900700000000, -0.0003413300000000, 0.0001251500000000 ] - [ 0.0007769100000000, 0.0028077900000000, -0.0033216100000000 ] - [ -0.0002551600000000, -0.0000118200000000, 0.0006178600000000 ] - [ 0.0327922400000000, 0.0225980100000000, -0.0268289400000000 ] - [ 0.0002446800000000, -0.0001403400000000, 0.0007841400000000 ] - [ 0.0002418900000000, -0.0004140300000000, -0.0005321500000000 ] - [ -0.0001412100000000, 0.0000103900000000, 0.0003159200000000 ] - [ -0.0000111300000000, -0.0001663600000000, -0.0003441500000000 ] - [ 0.0000843200000000, -0.0000275200000000, 0.0000277400000000 ] - [ 0.0000115300000000, -0.0000120100000000, -0.0001819600000000 ] - [ -0.0001719800000000, 0.0005662500000000, -0.0000782600000000 ] - [ -0.0003222200000000, 0.0000392200000000, 0.0001525700000000 ] - [ 0.0001280500000000, -0.0000863400000000, 0.0002563800000000 ] - [ -0.0000449200000000, -0.0002612700000000, -0.0002163500000000 ] - [ 0.0002141800000000, 0.0000516200000000, -0.0000608100000000 ] - [ -0.0003220700000000, -0.0001930900000000, 0.0001197100000000 ] - [ -0.0001137200000000, 0.0002418900000000, -0.0004459500000000 ] - [ -0.0003764800000000, -0.0002348600000000, -0.0003982600000000 ] - [ -0.0001517200000000, 0.0001155900000000, 0.0002378900000000 ] - [ -0.0000379400000000, -0.0000154100000000, -0.0004356900000000 ] - [ 0.0001618200000000, 0.0000868600000000, 0.0000306300000000 ] - [ -0.0000742400000000, 0.0001112700000000, -0.0002103000000000 ] - [ 0.0000257600000000, 0.0001500700000000, 0.0001537200000000 ] - [ 0.0003829000000000, -0.0000414400000000, 0.0001864200000000 ] - [ -0.0002563000000000, 0.0000714800000000, 0.0002871100000000 ] - [ -0.0001469700000000, 0.0000026900000000, -0.0000888900000000 ] - [ 0.0002224300000000, -0.0003180100000000, 0.0005111600000000 ] - [ 0.0000482000000000, -0.0000777200000000, -0.0000687500000000 ] - [ -0.0000072600000000, -0.0002468700000000, 0.0000586600000000 ] - [ -0.0001228500000000, -0.0005684800000000, -0.0007448700000000 ] - [ -0.0000411100000000, 0.0004325000000000, 0.0002059900000000 ] - [ -0.0001243200000000, 0.0001494000000000, -0.0002214400000000 ] - [ 0.0000733600000000, 0.0001856800000000, 0.0002241300000000 ] - [ 0.0004228500000000, 0.0001471000000000, 0.0003179300000000 ] - [ -0.0007362200000000, -0.0005109800000000, -0.0001011900000000 ] - [ -0.0010433000000000, 0.0002174100000000, -0.0012891900000000 ] - [ 0.0001697400000000, -0.0004123200000000, 0.0010028700000000 ] - [ 0.0002116500000000, -0.0009263300000000, -0.0007940300000000 ] - [ -0.0000470200000000, 0.0001757300000000, 0.0001561600000000 ] - [ -0.0000016500000000, 0.0004150000000000, -0.0000980600000000 ] - [ 0.0000588800000000, 0.0000602700000000, 0.0001468200000000 ] - [ 0.0003778000000000, -0.0005745200000000, -0.0004062500000000 ] - [ -0.0000580400000000, -0.0000664800000000, 0.0002801400000000 ] - [ -0.0005008800000000, -0.0005356900000000, 0.0006198500000000 ] - [ 0.0002818300000000, 0.0007342900000000, 0.0000133300000000 ] - [ -0.0003690500000000, 0.0001945300000000, -0.0002633600000000 ] - [ 0.0000576300000000, 0.0001975000000000, 0.0000691000000000 ] - [ -0.0009874400000000, -0.0001951500000000, 0.0000993900000000 ] - [ 0.0000410400000000, 0.0002780400000000, 0.0002984700000000 ] - [ -0.0000746200000000, -0.0002914500000000, 0.0001038100000000 ] - [ 0.0000613300000000, -0.0003794100000000, -0.0000177800000000 ] - [ -0.0000282300000000, -0.0002516200000000, -0.0001035900000000 ] - [ -0.0000496900000000, -0.0002174800000000, 0.0000040000000000 ]- atom: 81 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ 0.0002129600000000, 0.0000469600000000, 0.0001710600000000 ] - [ 0.0002635300000000, 0.0003252900000000, 0.0005396600000000 ] - [ 0.0034087200000000, 0.0005093800000000, 0.0029730700000000 ] - [ 0.0001473400000000, -0.0001145600000000, 0.0002248000000000 ] - [ 0.0002060600000000, -0.0000851300000000, 0.0001430900000000 ] - [ 0.0002725200000000, 0.0004024100000000, -0.0000999400000000 ] - [ 0.0263234400000000, 0.0255605600000000, -0.0173132200000000 ] - [ 0.0001861800000000, -0.0000423500000000, 0.0005761000000000 ] - [ -0.0004250100000000, -0.0000767600000000, 0.0004560600000000 ] - [ -0.0000141400000000, -0.0000354600000000, 0.0000447300000000 ] - [ -0.0004215000000000, -0.0001627400000000, -0.0000599200000000 ] - [ -0.0011355500000000, -0.0001133700000000, -0.0002885200000000 ] - [ 0.0000252000000000, 0.0000226100000000, -0.0002709900000000 ] - [ -0.0001533600000000, 0.0004446400000000, -0.0000084100000000 ] - [ -0.0000753000000000, -0.0001187900000000, 0.0001340200000000 ] - [ -0.0002383300000000, -0.0000054100000000, 0.0002516300000000 ] - [ -0.0001254200000000, -0.0000615200000000, -0.0000805000000000 ] - [ 0.0000940100000000, 0.0009536200000000, -0.0004597300000000 ] - [ 0.0003835600000000, -0.0010631100000000, 0.0002846600000000 ] - [ 0.0002853100000000, -0.0001380000000000, 0.0002306300000000 ] - [ 0.0007959100000000, -0.0034053200000000, -0.0033184800000000 ] - [ -0.0000935600000000, 0.0000888800000000, 0.0009745500000000 ] - [ -0.0001889400000000, 0.0003308500000000, -0.0000354400000000 ] - [ -0.0019034300000000, 0.0019205200000000, 0.0000817000000000 ] - [ 0.0032281100000000, 0.0027268400000000, 0.0003169900000000 ] - [ 0.0002592400000000, 0.0005244900000000, -0.0001181400000000 ] - [ 0.0000578500000000, 0.0001707300000000, 0.0002665500000000 ] - [ 0.0253814000000000, -0.0185370100000000, 0.0269830800000000 ] - [ 0.0000347000000000, -0.0003548700000000, 0.0002681600000000 ] - [ 0.0001100500000000, 0.0001519500000000, 0.0003383000000000 ] - [ 0.0005301100000000, 0.0001145800000000, -0.0000213500000000 ] - [ 0.0002017300000000, -0.0003240300000000, -0.0001299900000000 ] - [ -0.0023507000000000, 0.0019394600000000, 0.0022996300000000 ] - [ 0.0005236200000000, -0.0000069500000000, -0.0001623700000000 ] - [ 0.0477579500000000, 0.0230857000000000, 0.0248068100000000 ] - [ 0.0000190900000000, 0.0001435500000000, -0.0000360400000000 ] - [ 0.0001356000000000, -0.0001535900000000, -0.0001001000000000 ] - [ 0.0002514700000000, 0.0001189900000000, -0.0000089100000000 ] - [ 0.0001263800000000, -0.0000211200000000, 0.0001920200000000 ] - [ 0.0006196400000000, 0.0001441500000000, 0.0001468500000000 ] - [ -0.0003189100000000, 0.0000195000000000, -0.0002982700000000 ] - [ -0.0005534300000000, 0.0000639400000000, -0.0002812800000000 ] - [ -0.0005183500000000, -0.0000362200000000, -0.0004947700000000 ] - [ -0.0000918000000000, -0.0001674400000000, -0.0000798700000000 ] - [ -0.0001133000000000, -0.0000841200000000, -0.0002831600000000 ] - [ -0.0005347600000000, -0.0000864200000000, 0.0000975600000000 ] - [ -0.0004578000000000, 0.0001579100000000, 0.0001029800000000 ] - [ -0.0001008900000000, -0.0000246600000000, -0.0002547200000000 ] - [ 0.0004720700000000, -0.0012818900000000, 0.0001194600000000 ] - [ -0.0000856400000000, -0.0001616200000000, 0.0002241100000000 ] - [ 0.0005041000000000, -0.0005088900000000, -0.0000872700000000 ] - [ 0.0002423300000000, 0.0006374400000000, -0.0000487100000000 ] - [ 0.0000485500000000, 0.0002749400000000, 0.0000323300000000 ] - [ 0.0447028500000000, -0.0364993700000000, -0.0437894800000000 ] - [ -0.0019278200000000, -0.0000892600000000, 0.0016559200000000 ] - [ 0.0004781900000000, -0.0001251800000000, 0.0001245500000000 ] - [ -0.0000864600000000, 0.0002105100000000, -0.0016155900000000 ] - [ -0.0012753500000000, -0.0003097300000000, 0.0001415000000000 ] - [ -0.0004256300000000, -0.0001133100000000, -0.0000664500000000 ] - [ -0.0001550500000000, -0.0002119900000000, 0.0000916800000000 ] - [ -0.0006507800000000, -0.0000068000000000, 0.0002205300000000 ] - [ -0.0000551100000000, -0.0000060400000000, -0.0000350400000000 ] - [ 0.0000719800000000, 0.0000159300000000, -0.0001141100000000 ] - [ -0.0002536100000000, 0.0008531100000000, -0.0002726500000000 ] - [ -0.0002003500000000, 0.0001826200000000, -0.0004061700000000 ] - [ -0.0000400300000000, 0.0001725600000000, -0.0002376900000000 ] - [ -0.0001414300000000, 0.0001784900000000, 0.0001895500000000 ] - [ -0.0005811100000000, 0.0005510100000000, 0.0000903300000000 ] - [ -0.0005597800000000, -0.0003181400000000, 0.0001132700000000 ] - [ -0.0006304500000000, -0.0004291000000000, 0.0001671000000000 ] - [ -0.0007183400000000, -0.0001403900000000, -0.0001423200000000 ] - [ -0.0000504100000000, -0.0002165700000000, -0.0003120400000000 ] - [ -0.0002201100000000, 0.0002095900000000, -0.0002215500000000 ] - [ 0.0000172500000000, -0.0001003400000000, 0.0002652900000000 ] - [ -0.0004641700000000, 0.0000079400000000, -0.0002267300000000 ] - [ -0.0002323800000000, -0.0000832800000000, -0.0002531200000000 ] - [ -0.0004207200000000, -0.0000092100000000, -0.0002322800000000 ] - [ -0.0006027400000000, 0.0000990100000000, -0.0000916600000000 ] - [ -0.0001829000000000, -0.0001215700000000, -0.0000715600000000 ] - [ -0.0005518000000000, -0.0000080900000000, 0.0002932100000000 ] - [ -0.1543019700000000, 0.0133882100000000, 0.0170453900000000 ] - [ 0.0000703200000000, -0.0000722800000000, -0.0001454600000000 ] - [ 0.0083060600000000, -0.0058431100000000, -0.0114256000000000 ] - [ -0.0007265900000000, -0.0000403000000000, -0.0002558400000000 ] - [ 0.0000081600000000, -0.0000018500000000, -0.0002565900000000 ] - [ -0.0017271700000000, 0.0002181600000000, 0.0006814300000000 ] - [ -0.0001745800000000, 0.0000332500000000, -0.0003375200000000 ] - [ -0.0001644600000000, -0.0004191300000000, -0.0000705800000000 ] - [ 0.0000061200000000, -0.0001100500000000, -0.0003199200000000 ] - [ -0.0004338900000000, -0.0005874400000000, -0.0004634200000000 ] - [ -0.0004003000000000, -0.0000808900000000, 0.0001161900000000 ] - [ -0.0009659900000000, -0.0002700300000000, -0.0007916900000000 ] - [ -0.0162732700000000, 0.0060288400000000, 0.0058840600000000 ] - [ -0.0002189700000000, -0.0001102700000000, -0.0002507600000000 ] - [ 0.0082237400000000, -0.0108625000000000, -0.0059337000000000 ] - [ -0.0001528000000000, -0.0001201700000000, -0.0001146700000000 ] - [ 0.0006791700000000, -0.0000278900000000, 0.0000476300000000 ] - [ 0.0002147000000000, 0.0000788800000000, 0.0001873600000000 ] - [ 0.0006050600000000, -0.0002215500000000, 0.0002361600000000 ] - [ 0.0001264300000000, 0.0001595900000000, -0.0000822100000000 ] - [ 0.0003584700000000, 0.0001173500000000, 0.0001999200000000 ] - [ 0.0010141500000000, 0.0002003600000000, -0.0000829300000000 ] - [ 0.0007695500000000, 0.0003641900000000, 0.0002326600000000 ] - [ 0.0007660800000000, -0.0000087400000000, 0.0001427600000000 ] - [ 0.0008709000000000, -0.0000474200000000, 0.0004948900000000 ] - [ 0.0010297000000000, -0.0002255000000000, -0.0000320800000000 ] - [ 0.0001773000000000, 0.0000007700000000, 0.0002882700000000 ] - [ 0.0009668800000000, -0.0003454600000000, 0.0001033200000000 ] - [ 0.0007124100000000, 0.0002209900000000, 0.0006667100000000 ] - [ 0.0001476800000000, 0.0003365100000000, 0.0001674500000000 ] - [ 0.0010687100000000, -0.0003083600000000, 0.0004038000000000 ] - [ 0.0000373300000000, 0.0003859200000000, -0.0000697400000000 ] - [ 0.0015512400000000, 0.0009938800000000, 0.0003317500000000 ] - [ 0.0002366700000000, 0.0000662200000000, -0.0000437800000000 ] - [ 0.0008687800000000, -0.0000992100000000, -0.0001096000000000 ] - [ 0.0001106600000000, 0.0001420200000000, 0.0002485100000000 ] - [ 0.0002160500000000, -0.0002010000000000, 0.0000381000000000 ] - [ 0.0002496400000000, -0.0004071900000000, 0.0001499800000000 ] - [ 0.0001569500000000, 0.0000191700000000, 0.0004971500000000 ] - [ 0.0002761200000000, -0.0000509900000000, -0.0001647700000000 ] - [ -0.0002464100000000, -0.0001575400000000, -0.0003489900000000 ] - [ -0.0001284400000000, 0.0001552000000000, 0.0000383300000000 ] - [ -0.0003879700000000, 0.0008226800000000, -0.0002750000000000 ] - [ 0.0000544800000000, 0.0002350400000000, -0.0000292100000000 ] - [ -0.0004275000000000, -0.0005802100000000, 0.0004279400000000 ] - [ 0.0003431400000000, 0.0025249400000000, -0.0025681800000000 ] - [ 0.0002464000000000, -0.0005766100000000, -0.0006928600000000 ] - [ 0.0013840000000000, -0.0015462800000000, 0.0021200300000000 ] - [ 0.0009923700000000, 0.0011299400000000, -0.0005836100000000 ] - [ -0.0002355800000000, 0.0002659900000000, -0.0000739200000000 ] - [ -0.0013935600000000, -0.0039740500000000, 0.0025005500000000 ] - [ 0.0000375500000000, 0.0002123600000000, -0.0002418000000000 ] - [ -0.0020535800000000, 0.0002798600000000, -0.0022048300000000 ] - [ 0.0014737400000000, -0.0012087000000000, -0.0030335300000000 ] - [ 0.0002122500000000, 0.0000642300000000, -0.0004448000000000 ] - [ 0.0014470100000000, 0.0035790100000000, 0.0031688200000000 ] - [ 0.0049446300000000, -0.0006634700000000, 0.0003448000000000 ] - [ -0.0001338100000000, 0.0001429200000000, -0.0002008500000000 ] - [ 0.0009655600000000, 0.0002839800000000, 0.0001494000000000 ] - [ 0.0000843900000000, 0.0002295900000000, 0.0002782800000000 ] - [ 0.0001574500000000, -0.0001757200000000, 0.0000486300000000 ] - [ 0.0003418000000000, 0.0000040100000000, 0.0001816100000000 ] - [ -0.0002481200000000, -0.0003714400000000, 0.0002429800000000 ] - [ 0.0002327700000000, -0.0003697000000000, -0.0002213900000000 ]- atom: 81 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ -0.0002091900000000, 0.0001315900000000, -0.0001695400000000 ] - [ -0.0002615000000000, -0.0001483100000000, -0.0005394200000000 ] - [ -0.0033904500000000, -0.0006930900000000, -0.0029682700000000 ] - [ -0.0001419700000000, -0.0000650900000000, -0.0002195500000000 ] - [ -0.0002044900000000, 0.0000486300000000, -0.0001397600000000 ] - [ -0.0002700600000000, -0.0004366800000000, 0.0001032800000000 ] - [ -0.0268641200000000, -0.0263489800000000, 0.0180666300000000 ] - [ -0.0001839200000000, 0.0000811800000000, -0.0005761300000000 ] - [ 0.0002233500000000, -0.0000036500000000, -0.0000608500000000 ] - [ -0.0001832800000000, -0.0000436500000000, 0.0003489900000000 ] - [ 0.0006247900000000, 0.0000861900000000, -0.0003350400000000 ] - [ 0.0013353200000000, 0.0000358600000000, -0.0001050100000000 ] - [ 0.0001768800000000, 0.0000541600000000, -0.0001221300000000 ] - [ 0.0003553900000000, -0.0003675700000000, -0.0003825800000000 ] - [ -0.0001235300000000, 0.0002006400000000, 0.0002615500000000 ] - [ 0.0000400700000000, 0.0000820800000000, 0.0001440700000000 ] - [ -0.0001381300000000, -0.0003890300000000, -0.0003253700000000 ] - [ -0.0003565300000000, -0.0013983900000000, 0.0000541700000000 ] - [ -0.0001131800000000, 0.0006043100000000, 0.0001224800000000 ] - [ -0.0000168700000000, -0.0003134800000000, 0.0001765900000000 ] - [ -0.0005243700000000, 0.0038595100000000, 0.0037317700000000 ] - [ 0.0003598200000000, 0.0003588100000000, -0.0005646400000000 ] - [ -0.0000772900000000, 0.0001213000000000, -0.0003716800000000 ] - [ 0.0016070500000000, -0.0014367500000000, -0.0004848000000000 ] - [ -0.0029885700000000, -0.0022409800000000, -0.0007085300000000 ] - [ -0.0000345700000000, -0.0000371500000000, -0.0002677200000000 ] - [ -0.0002753900000000, 0.0003132800000000, 0.0001223500000000 ] - [ -0.0260277400000000, 0.0197256900000000, -0.0273261700000000 ] - [ -0.0002537300000000, -0.0001318000000000, 0.0001204600000000 ] - [ -0.0003286700000000, -0.0006371600000000, 0.0000531600000000 ] - [ -0.0003058300000000, -0.0005962400000000, -0.0003637300000000 ] - [ 0.0000225200000000, -0.0001616400000000, -0.0002583500000000 ] - [ 0.0024889500000000, -0.0019431400000000, -0.0020046500000000 ] - [ -0.0003803600000000, 0.0000019500000000, 0.0004590900000000 ] - [ -0.0473553800000000, -0.0223142700000000, -0.0243150700000000 ] - [ -0.0001584500000000, -0.0001447900000000, -0.0002572300000000 ] - [ -0.0002715400000000, 0.0001537200000000, -0.0001931700000000 ] - [ -0.0003879500000000, -0.0001152800000000, -0.0002862900000000 ] - [ 0.0000175000000000, 0.0000238700000000, 0.0001048900000000 ] - [ -0.0004744300000000, -0.0001426600000000, 0.0001490300000000 ] - [ 0.0003206300000000, 0.0001602400000000, 0.0002977800000000 ] - [ 0.0005540200000000, 0.0001144800000000, 0.0002802800000000 ] - [ 0.0005176000000000, -0.0001408900000000, 0.0004925100000000 ] - [ 0.0000965700000000, -0.0000117300000000, 0.0000841800000000 ] - [ 0.0001132100000000, 0.0000459300000000, 0.0002862600000000 ] - [ 0.0005342900000000, 0.0000487900000000, -0.0000942100000000 ] - [ 0.0004591700000000, -0.0001217500000000, -0.0001028500000000 ] - [ 0.0001031500000000, 0.0000612800000000, 0.0002533700000000 ] - [ -0.0006668800000000, 0.0012096000000000, 0.0002738600000000 ] - [ -0.0001115500000000, 0.0000827100000000, 0.0001701000000000 ] - [ -0.0002961400000000, 0.0004360500000000, -0.0003117900000000 ] - [ -0.0000405400000000, -0.0007145200000000, -0.0003429100000000 ] - [ 0.0001543100000000, -0.0001983700000000, -0.0004250800000000 ] - [ -0.0440444200000000, 0.0354925300000000, 0.0422282900000000 ] - [ 0.0016957900000000, 0.0001692400000000, -0.0012301400000000 ] - [ -0.0006759200000000, 0.0001996300000000, 0.0002755100000000 ] - [ -0.0001794200000000, -0.0006588200000000, 0.0012011800000000 ] - [ 0.0010140200000000, -0.0001399400000000, -0.0005454000000000 ] - [ 0.0006997600000000, -0.0003370700000000, 0.0004713100000000 ] - [ 0.0004210700000000, -0.0002378600000000, 0.0003143100000000 ] - [ 0.0009150200000000, 0.0004578700000000, 0.0001881900000000 ] - [ 0.0003240800000000, 0.0004565700000000, 0.0004425500000000 ] - [ -0.0003393000000000, 0.0004378900000000, -0.0002950400000000 ] - [ -0.0000128700000000, -0.0003963300000000, -0.0001291500000000 ] - [ 0.0004229900000000, 0.0003021700000000, 0.0000170000000000 ] - [ 0.0002646900000000, 0.0003141600000000, -0.0001513700000000 ] - [ -0.0000768200000000, 0.0003055700000000, 0.0001982600000000 ] - [ 0.0003599700000000, -0.0000644100000000, 0.0002988000000000 ] - [ 0.0003373700000000, -0.0001700500000000, 0.0002746000000000 ] - [ 0.0004094200000000, -0.0000580600000000, 0.0002238900000000 ] - [ 0.0009370700000000, -0.0003459400000000, -0.0002431700000000 ] - [ 0.0002744800000000, -0.0002699100000000, -0.0000771900000000 ] - [ 0.0003601600000000, -0.0002090300000000, 0.0005163100000000 ] - [ 0.0001246100000000, 0.0000966900000000, 0.0000324700000000 ] - [ 0.0003245100000000, -0.0000096500000000, -0.0000684700000000 ] - [ 0.0000931500000000, 0.0000821800000000, -0.0000399400000000 ] - [ 0.0002807700000000, 0.0000087100000000, -0.0000603300000000 ] - [ 0.0004658100000000, -0.0000979300000000, -0.0002003700000000 ] - [ 0.0003264200000000, 0.0001220600000000, 0.0003665200000000 ] - [ 0.0006925600000000, 0.0000100800000000, 0.0000044800000000 ] - [ 0.1540034000000000, -0.0128030300000000, -0.0165879200000000 ] - [ -0.0001111100000000, 0.0001728300000000, 0.0003562100000000 ] - [ -0.0082996700000000, 0.0058814700000000, 0.0112580300000000 ] - [ 0.0007721500000000, 0.0001409200000000, 0.0000408800000000 ] - [ 0.0000361500000000, -0.0001027100000000, 0.0000436400000000 ] - [ 0.0017700900000000, -0.0003246000000000, -0.0008964500000000 ] - [ 0.0001306900000000, -0.0001380400000000, 0.0005517800000000 ] - [ 0.0001264900000000, 0.0003142600000000, 0.0002824500000000 ] - [ 0.0002719200000000, -0.0001445400000000, 0.0001703800000000 ] - [ 0.0007111000000000, 0.0003355100000000, 0.0003148600000000 ] - [ 0.0001259100000000, -0.0001752800000000, 0.0000336000000000 ] - [ 0.0006880800000000, 0.0000161700000000, 0.0009356300000000 ] - [ 0.0159547000000000, -0.0057542700000000, -0.0057173400000000 ] - [ -0.0000569400000000, 0.0003651500000000, 0.0003980700000000 ] - [ -0.0079712600000000, 0.0111413900000000, 0.0057093900000000 ] - [ 0.0004330300000000, 0.0003709200000000, -0.0000329100000000 ] - [ -0.0007180600000000, 0.0001318500000000, 0.0001665300000000 ] - [ -0.0002541000000000, 0.0000232300000000, 0.0000250700000000 ] - [ -0.0005581100000000, 0.0003214000000000, -0.0004472500000000 ] - [ -0.0000818700000000, -0.0000581200000000, -0.0001300000000000 ] - [ -0.0003127700000000, -0.0002199600000000, -0.0004098700000000 ] - [ -0.0009661700000000, -0.0003022100000000, -0.0001296500000000 ] - [ -0.0008059400000000, -0.0004653200000000, -0.0000182600000000 ] - [ -0.0008040700000000, -0.0000920200000000, 0.0000676500000000 ] - [ -0.0005875700000000, -0.0002027200000000, -0.0006390500000000 ] - [ -0.0007468000000000, -0.0000316400000000, -0.0001179100000000 ] - [ -0.0004497400000000, -0.0002541000000000, -0.0001381800000000 ] - [ -0.0012403000000000, 0.0000917200000000, 0.0000409800000000 ] - [ -0.0009821100000000, 0.0000321300000000, -0.0005132700000000 ] - [ -0.0004248700000000, -0.0000840200000000, -0.0000211700000000 ] - [ -0.0007849800000000, 0.0005589200000000, -0.0005502800000000 ] - [ 0.0002446200000000, -0.0001345500000000, -0.0000750700000000 ] - [ -0.0015840800000000, -0.0007237700000000, -0.0003806400000000 ] - [ -0.0002621000000000, 0.0002165900000000, 0.0000011800000000 ] - [ -0.0008310900000000, 0.0003843400000000, 0.0001518600000000 ] - [ -0.0000786500000000, 0.0001400800000000, -0.0002031600000000 ] - [ -0.0001846000000000, -0.0000820500000000, 0.0000063500000000 ] - [ -0.0002161300000000, 0.0001229400000000, -0.0001025300000000 ] - [ -0.0001843700000000, -0.0003020000000000, -0.0005414500000000 ] - [ -0.0003013600000000, -0.0002308800000000, 0.0001210100000000 ] - [ 0.0001576100000000, 0.0005646200000000, 0.0002264200000000 ] - [ 0.0000423900000000, 0.0002571100000000, -0.0001563800000000 ] - [ 0.0004781700000000, -0.0004104300000000, 0.0003964600000000 ] - [ 0.0000354700000000, 0.0001779600000000, 0.0001489400000000 ] - [ 0.0005183400000000, 0.0001681500000000, -0.0003082700000000 ] - [ -0.0002555800000000, -0.0029230000000000, 0.0026825900000000 ] - [ -0.0003324200000000, 0.0001621500000000, 0.0005736600000000 ] - [ -0.0014629600000000, 0.0011253600000000, -0.0022189300000000 ] - [ -0.0010109200000000, -0.0008345700000000, 0.0005379500000000 ] - [ 0.0002087900000000, 0.0000158000000000, 0.0000298800000000 ] - [ 0.0014232600000000, 0.0042478200000000, -0.0024533700000000 ] - [ -0.0000059600000000, 0.0000700100000000, 0.0002862200000000 ] - [ 0.0020771200000000, -0.0005599700000000, 0.0022402500000000 ] - [ -0.0014450400000000, 0.0009268000000000, 0.0030848700000000 ] - [ -0.0002384700000000, -0.0003450400000000, 0.0003971800000000 ] - [ -0.0014897500000000, -0.0038834400000000, -0.0032235400000000 ] - [ -0.0049822700000000, 0.0010604900000000, -0.0004634900000000 ] - [ 0.0000475100000000, 0.0002687800000000, 0.0000814200000000 ] - [ -0.0008697300000000, 0.0001281500000000, -0.0000245500000000 ] - [ 0.0000052100000000, 0.0001831700000000, -0.0001588300000000 ] - [ -0.0000665500000000, -0.0002369500000000, 0.0000709200000000 ] - [ -0.0002521700000000, -0.0004175600000000, -0.0000617600000000 ] - [ 0.0001631600000000, -0.0000433900000000, -0.0003603200000000 ] - [ -0.0003176600000000, -0.0000431500000000, 0.0001020500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000119700000000, -0.0001499000000000, -0.0000677100000000 ] - [ 0.0000704800000000, -0.0005292300000000, -0.0000491200000000 ] - [ 0.0021318600000000, -0.0026890300000000, -0.0017737500000000 ] - [ 0.0000305200000000, 0.0000902800000000, 0.0000446800000000 ] - [ -0.0000833200000000, -0.0003490200000000, 0.0001454400000000 ] - [ -0.0000866200000000, -0.0006187100000000, -0.0002329300000000 ] - [ 0.0218674800000000, 0.0448894200000000, -0.0196478100000000 ] - [ -0.0001281800000000, 0.0006365500000000, -0.0001608600000000 ] - [ -0.0014114900000000, 0.0005188400000000, 0.0002465800000000 ] - [ -0.0001104300000000, 0.0001085600000000, 0.0001752300000000 ] - [ 0.0000889300000000, 0.0002129800000000, -0.0002754400000000 ] - [ 0.0010511500000000, 0.0002299500000000, -0.0001301900000000 ] - [ 0.0001088400000000, -0.0001364800000000, -0.0001948800000000 ] - [ 0.0005090900000000, -0.0002233400000000, -0.0003812700000000 ] - [ -0.0003997600000000, -0.0010336000000000, 0.0002704000000000 ] - [ -0.0001146100000000, -0.0001614700000000, 0.0002519600000000 ] - [ -0.0000082100000000, -0.0003394000000000, -0.0004596300000000 ] - [ -0.0002267600000000, -0.0015604800000000, 0.0001498600000000 ] - [ 0.0001978100000000, -0.0008609900000000, 0.0005416900000000 ] - [ 0.0002267600000000, -0.0003248900000000, 0.0001917100000000 ] - [ -0.0000873700000000, -0.0015291600000000, -0.0013603400000000 ] - [ -0.0001980200000000, -0.0000759900000000, 0.0013211000000000 ] - [ -0.0001361400000000, 0.0002281700000000, -0.0002827000000000 ] - [ 0.0015826700000000, -0.0014409300000000, -0.0003803000000000 ] - [ 0.0028310500000000, 0.0033534900000000, -0.0010020500000000 ] - [ 0.0004020000000000, 0.0004396900000000, -0.0000540800000000 ] - [ -0.0002505300000000, 0.0004252200000000, 0.0002272000000000 ] - [ -0.0199796900000000, 0.0238786300000000, -0.0255064700000000 ] - [ -0.0002197800000000, -0.0006661200000000, 0.0001626500000000 ] - [ -0.0002938500000000, -0.0007917000000000, 0.0001888500000000 ] - [ 0.0002426400000000, -0.0010958800000000, -0.0002563400000000 ] - [ 0.0001791900000000, -0.0004609800000000, -0.0002235300000000 ] - [ 0.0009934000000000, 0.0030482400000000, -0.0025262300000000 ] - [ -0.0000742900000000, 0.0002610300000000, 0.0004664800000000 ] - [ 0.0278115700000000, 0.0271243600000000, 0.0235381600000000 ] - [ -0.0001229000000000, 0.0002641300000000, 0.0000380800000000 ] - [ -0.0000803500000000, -0.0003550900000000, -0.0000807200000000 ] - [ -0.0000988400000000, -0.0005678000000000, 0.0001286000000000 ] - [ 0.0000638900000000, -0.0002243300000000, 0.0000589600000000 ] - [ -0.0000020100000000, -0.0005048900000000, -0.0000071400000000 ] - [ 0.0001672700000000, 0.0005225500000000, 0.0002407400000000 ] - [ 0.0001730100000000, 0.0004800500000000, -0.0000954500000000 ] - [ 0.0002065900000000, -0.0004270900000000, 0.0003042400000000 ] - [ 0.0000488700000000, -0.0002604400000000, 0.0000140400000000 ] - [ -0.0001053500000000, 0.0004879300000000, -0.0000875100000000 ] - [ 0.0000996000000000, 0.0004984300000000, -0.0000113400000000 ] - [ -0.0000242300000000, -0.0003810500000000, 0.0000968200000000 ] - [ 0.0000078400000000, -0.0002187800000000, -0.0000379500000000 ] - [ -0.0001245500000000, -0.0003149200000000, -0.0000226100000000 ] - [ -0.0001208000000000, -0.0004402800000000, 0.0002432000000000 ] - [ -0.0000742700000000, -0.0006754800000000, -0.0000285100000000 ] - [ -0.0000085500000000, -0.0011666400000000, -0.0002611400000000 ] - [ 0.0000236400000000, 0.0004053000000000, -0.0000747900000000 ] - [ -0.0345910700000000, 0.0463231700000000, 0.0425132300000000 ] - [ -0.0038503000000000, 0.0011063300000000, 0.0031646600000000 ] - [ -0.0003332800000000, 0.0007232800000000, 0.0001210700000000 ] - [ 0.0004982300000000, 0.0006426000000000, 0.0008809500000000 ] - [ 0.0007479200000000, -0.0000364500000000, -0.0005107200000000 ] - [ -0.0005984200000000, 0.0000718700000000, 0.0000617100000000 ] - [ -0.0000896200000000, -0.0001340100000000, 0.0003412200000000 ] - [ -0.0000962000000000, 0.0001656400000000, 0.0003122300000000 ] - [ -0.0000425400000000, 0.0001017900000000, 0.0000198100000000 ] - [ 0.0000717000000000, 0.0000712100000000, -0.0000253800000000 ] - [ 0.0004653100000000, 0.0001346500000000, -0.0001944800000000 ] - [ 0.0000311300000000, -0.0001535700000000, 0.0000019300000000 ] - [ 0.0000933400000000, 0.0000526500000000, -0.0002043400000000 ] - [ -0.0000243700000000, 0.0000564300000000, 0.0002189200000000 ] - [ 0.0001678100000000, -0.0002270300000000, 0.0002530600000000 ] - [ -0.0001638500000000, 0.0000901700000000, 0.0000341900000000 ] - [ 0.0003071700000000, 0.0000142500000000, 0.0001393500000000 ] - [ 0.0004537800000000, 0.0002052000000000, -0.0003935000000000 ] - [ -0.0000966000000000, -0.0000631800000000, -0.0002497200000000 ] - [ 0.0001024300000000, -0.0005538400000000, 0.0006365900000000 ] - [ 0.0001449200000000, -0.0001956400000000, 0.0002106600000000 ] - [ 0.0000607000000000, -0.0004393000000000, -0.0003376700000000 ] - [ -0.0000664500000000, -0.0001993400000000, -0.0002255700000000 ] - [ -0.0001135300000000, 0.0001586400000000, -0.0002005900000000 ] - [ 0.0002311600000000, 0.0002440700000000, -0.0007037400000000 ] - [ -0.0001103900000000, 0.0002293700000000, 0.0000604000000000 ] - [ 0.0003896100000000, 0.0002253700000000, 0.0003308700000000 ] - [ 0.0121419000000000, -0.1533510600000000, -0.0261360700000000 ] - [ -0.0001409800000000, -0.0005678400000000, 0.0001490700000000 ] - [ 0.0057141700000000, -0.0155821000000000, -0.0059901200000000 ] - [ 0.0001080000000000, -0.0009434000000000, -0.0002236500000000 ] - [ 0.0000726100000000, 0.0004036700000000, -0.0001047600000000 ] - [ 0.0002893600000000, 0.0009244500000000, -0.0001643900000000 ] - [ 0.0003382200000000, 0.0008518400000000, -0.0000815500000000 ] - [ -0.0001063300000000, 0.0008528100000000, 0.0000866600000000 ] - [ 0.0000520200000000, 0.0002991900000000, 0.0000399200000000 ] - [ 0.0002083100000000, 0.0007568600000000, -0.0000482400000000 ] - [ -0.0000883000000000, 0.0001898300000000, 0.0002330000000000 ] - [ -0.0003616600000000, 0.0010455800000000, 0.0000208200000000 ] - [ -0.0065577900000000, 0.0085996600000000, 0.0120477600000000 ] - [ -0.0004125300000000, -0.0001856600000000, -0.0002991700000000 ] - [ -0.0111512200000000, 0.0082304500000000, 0.0050254700000000 ] - [ 0.0003289700000000, 0.0000917100000000, -0.0002608300000000 ] - [ -0.0000961600000000, 0.0008021800000000, 0.0002109800000000 ] - [ 0.0000046700000000, 0.0003673300000000, 0.0000496800000000 ] - [ 0.0002711200000000, 0.0010585200000000, -0.0008320000000000 ] - [ -0.0000883200000000, 0.0004162300000000, -0.0001145800000000 ] - [ 0.0001971300000000, -0.0000946200000000, 0.0000912100000000 ] - [ 0.0002553000000000, -0.0017695500000000, -0.0007701900000000 ] - [ -0.0000561100000000, -0.0005816600000000, 0.0003777400000000 ] - [ -0.0004295800000000, -0.0005813800000000, 0.0003126400000000 ] - [ 0.0000434300000000, -0.0020440400000000, -0.0005239200000000 ] - [ -0.0002802400000000, -0.0003729100000000, -0.0000243300000000 ] - [ -0.0000568500000000, -0.0005493400000000, -0.0000285400000000 ] - [ -0.0003180500000000, -0.0010442500000000, 0.0009532800000000 ] - [ -0.0004002200000000, 0.0007053900000000, -0.0002575900000000 ] - [ -0.0000617800000000, 0.0004349700000000, 0.0001211400000000 ] - [ -0.0002105100000000, 0.0010464400000000, -0.0004538000000000 ] - [ -0.0000506400000000, 0.0004175100000000, -0.0000973200000000 ] - [ 0.0013189500000000, 0.0018055300000000, 0.0007217300000000 ] - [ 0.0000446200000000, 0.0000998400000000, -0.0000543300000000 ] - [ -0.0004013700000000, -0.0000543200000000, 0.0003173500000000 ] - [ 0.0000094800000000, 0.0001653200000000, -0.0001132600000000 ] - [ 0.0000141800000000, -0.0000205400000000, 0.0000792900000000 ] - [ -0.0002308300000000, 0.0001245700000000, -0.0000732700000000 ] - [ 0.0000765300000000, 0.0000053200000000, 0.0003075000000000 ] - [ 0.0002267100000000, 0.0001858800000000, -0.0001687900000000 ] - [ -0.0003781600000000, 0.0010737900000000, 0.0000574700000000 ] - [ 0.0000561100000000, 0.0003423200000000, -0.0002051400000000 ] - [ 0.0002247100000000, 0.0011555300000000, -0.0000372900000000 ] - [ -0.0000290400000000, 0.0005222400000000, -0.0000113100000000 ] - [ -0.0001420200000000, -0.0003438500000000, 0.0005255500000000 ] - [ 0.0038220100000000, 0.0014153200000000, -0.0032708000000000 ] - [ -0.0002061700000000, -0.0003880000000000, 0.0001286200000000 ] - [ -0.0012114500000000, 0.0012461900000000, -0.0022247000000000 ] - [ 0.0005132400000000, 0.0012907000000000, -0.0002730900000000 ] - [ 0.0000530100000000, 0.0001661400000000, 0.0000688700000000 ] - [ -0.0006194400000000, 0.0047478200000000, -0.0002938700000000 ] - [ 0.0000258900000000, 0.0001894200000000, 0.0000567000000000 ] - [ -0.0007581300000000, -0.0000069400000000, -0.0020159000000000 ] - [ -0.0011358000000000, 0.0012911800000000, 0.0030049800000000 ] - [ 0.0002359500000000, 0.0001364700000000, -0.0004389300000000 ] - [ 0.0028129700000000, -0.0002905300000000, 0.0027694200000000 ] - [ -0.0039641800000000, -0.0009301200000000, -0.0022198700000000 ] - [ -0.0001852600000000, 0.0000038700000000, 0.0000612000000000 ] - [ 0.0006422900000000, -0.0000823500000000, 0.0003337000000000 ] - [ 0.0001174200000000, -0.0000096200000000, 0.0000171600000000 ] - [ 0.0001071400000000, -0.0000897600000000, -0.0000038300000000 ] - [ 0.0000974400000000, 0.0000582100000000, 0.0001744400000000 ] - [ -0.0002132900000000, 0.0001954700000000, -0.0002362400000000 ] - [ -0.0002273000000000, 0.0000240200000000, 0.0000792800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000112500000000, 0.0003280200000000, 0.0000678500000000 ] - [ -0.0000683200000000, 0.0007052000000000, 0.0000514300000000 ] - [ -0.0021287500000000, 0.0025168900000000, 0.0017727800000000 ] - [ -0.0000290700000000, -0.0002679700000000, -0.0000420900000000 ] - [ 0.0000842100000000, 0.0003128000000000, -0.0001432400000000 ] - [ 0.0000884800000000, 0.0005845300000000, 0.0002361600000000 ] - [ -0.0227022700000000, -0.0455121900000000, 0.0204076000000000 ] - [ 0.0001305600000000, -0.0005992300000000, 0.0001580700000000 ] - [ 0.0012054400000000, -0.0005999600000000, 0.0001457500000000 ] - [ -0.0000884500000000, -0.0001882600000000, 0.0002189700000000 ] - [ 0.0001120900000000, -0.0002917000000000, -0.0001175800000000 ] - [ -0.0008549400000000, -0.0003090400000000, -0.0002620100000000 ] - [ 0.0000919500000000, 0.0002137000000000, -0.0001981400000000 ] - [ -0.0003095400000000, 0.0003010200000000, -0.0000100300000000 ] - [ 0.0002009300000000, 0.0011170900000000, 0.0001240200000000 ] - [ -0.0000843800000000, 0.0002390600000000, 0.0001418800000000 ] - [ -0.0002569300000000, -0.0001115900000000, 0.0000555300000000 ] - [ -0.0000361500000000, 0.0011149500000000, -0.0005543100000000 ] - [ 0.0000689800000000, 0.0004026200000000, -0.0001373800000000 ] - [ 0.0000385200000000, -0.0001253100000000, 0.0002142700000000 ] - [ 0.0003534600000000, 0.0020108800000000, 0.0017960300000000 ] - [ 0.0004617600000000, 0.0005235200000000, -0.0009090500000000 ] - [ -0.0001276900000000, 0.0002209800000000, -0.0001213200000000 ] - [ -0.0018788000000000, 0.0019227100000000, -0.0000219300000000 ] - [ -0.0026093200000000, -0.0028804400000000, 0.0006107500000000 ] - [ -0.0001783100000000, 0.0000472700000000, -0.0003276300000000 ] - [ 0.0000305100000000, 0.0000598000000000, 0.0001619200000000 ] - [ 0.0190808100000000, -0.0230640700000000, 0.0252545500000000 ] - [ -0.0000004700000000, 0.0001800600000000, 0.0002270300000000 ] - [ 0.0000742600000000, 0.0003068100000000, 0.0002012000000000 ] - [ -0.0000188300000000, 0.0006129300000000, -0.0001290700000000 ] - [ 0.0000430500000000, -0.0000254700000000, -0.0001637400000000 ] - [ -0.0008481200000000, -0.0030632100000000, 0.0028220100000000 ] - [ 0.0002161900000000, -0.0002629100000000, -0.0001722700000000 ] - [ -0.0271792900000000, -0.0266708100000000, -0.0230373500000000 ] - [ -0.0000176300000000, -0.0002666900000000, -0.0003321700000000 ] - [ -0.0000603400000000, 0.0003567500000000, -0.0002139700000000 ] - [ -0.0000404000000000, 0.0005696400000000, -0.0004231200000000 ] - [ 0.0000770500000000, 0.0002259100000000, 0.0002371200000000 ] - [ 0.0001442700000000, 0.0005069200000000, 0.0003029500000000 ] - [ -0.0001665400000000, -0.0003472900000000, -0.0002412600000000 ] - [ -0.0001730300000000, -0.0003030800000000, 0.0000955800000000 ] - [ -0.0002101300000000, 0.0002525500000000, -0.0003063700000000 ] - [ -0.0000477000000000, 0.0000810600000000, -0.0000119400000000 ] - [ 0.0001058700000000, -0.0005265800000000, 0.0000894000000000 ] - [ -0.0001009700000000, -0.0005367900000000, 0.0000145300000000 ] - [ 0.0000240300000000, 0.0004178300000000, -0.0000974300000000 ] - [ -0.0000074900000000, 0.0002564100000000, 0.0000379100000000 ] - [ -0.0000719600000000, 0.0002399700000000, 0.0004169700000000 ] - [ -0.0000777400000000, 0.0003633900000000, 0.0001510400000000 ] - [ 0.0002770200000000, 0.0005988400000000, -0.0003660300000000 ] - [ 0.0002080400000000, 0.0010880300000000, -0.0001306900000000 ] - [ 0.0001755900000000, -0.0003269700000000, -0.0003171200000000 ] - [ 0.0358590500000000, -0.0467682100000000, -0.0441278500000000 ] - [ 0.0036468600000000, -0.0010317200000000, -0.0027630500000000 ] - [ 0.0001334200000000, -0.0006485500000000, 0.0002787700000000 ] - [ -0.0007674200000000, -0.0010954500000000, -0.0012959400000000 ] - [ -0.0010113700000000, -0.0004134400000000, 0.0001074800000000 ] - [ 0.0008673200000000, -0.0005209800000000, 0.0003404200000000 ] - [ 0.0003547100000000, -0.0003151500000000, 0.0000623100000000 ] - [ 0.0003590500000000, 0.0002861400000000, 0.0000946200000000 ] - [ 0.0003087700000000, 0.0003471600000000, 0.0003855300000000 ] - [ -0.0003365000000000, 0.0003787300000000, -0.0003792900000000 ] - [ -0.0007327500000000, 0.0003162700000000, -0.0002045200000000 ] - [ 0.0001894800000000, 0.0006383400000000, -0.0003910500000000 ] - [ 0.0001289700000000, 0.0004336500000000, -0.0001842100000000 ] - [ -0.0001969200000000, 0.0004298100000000, 0.0001700600000000 ] - [ -0.0003905200000000, 0.0007143900000000, 0.0001361200000000 ] - [ -0.0000585200000000, -0.0005785100000000, 0.0003507000000000 ] - [ -0.0005290700000000, -0.0005013700000000, 0.0002500800000000 ] - [ -0.0002353300000000, -0.0006919600000000, 0.0000068100000000 ] - [ 0.0003200900000000, -0.0004248300000000, -0.0001387800000000 ] - [ 0.0000376800000000, 0.0005548400000000, -0.0003437200000000 ] - [ -0.0000029100000000, 0.0001933900000000, 0.0000857300000000 ] - [ -0.0001990100000000, 0.0004372300000000, 0.0000419100000000 ] - [ -0.0000735600000000, 0.0001981900000000, -0.0000681200000000 ] - [ -0.0000267300000000, -0.0001589500000000, -0.0000933900000000 ] - [ -0.0003691500000000, -0.0002438200000000, 0.0004117800000000 ] - [ 0.0002492500000000, -0.0002287300000000, 0.0002335500000000 ] - [ -0.0002508900000000, -0.0002227700000000, -0.0000330400000000 ] - [ -0.0125914800000000, 0.1538243000000000, 0.0265870900000000 ] - [ 0.0000979800000000, 0.0006714300000000, 0.0000621000000000 ] - [ -0.0056807600000000, 0.0157269800000000, 0.0057886600000000 ] - [ -0.0000653700000000, 0.0010453500000000, 0.0000069400000000 ] - [ -0.0000274500000000, -0.0005092100000000, -0.0001104600000000 ] - [ -0.0002492900000000, -0.0010317400000000, -0.0000491300000000 ] - [ -0.0003809300000000, -0.0009575800000000, 0.0002940200000000 ] - [ 0.0000669100000000, -0.0009572900000000, 0.0001226900000000 ] - [ 0.0002262200000000, -0.0005536800000000, -0.0001876300000000 ] - [ 0.0000658200000000, -0.0010140200000000, -0.0001027300000000 ] - [ -0.0001874700000000, -0.0004463900000000, -0.0000859200000000 ] - [ 0.0000843500000000, -0.0012988400000000, 0.0001240500000000 ] - [ 0.0063363900000000, -0.0083117000000000, -0.0118486000000000 ] - [ 0.0001376300000000, 0.0004414200000000, 0.0004466200000000 ] - [ 0.0113927000000000, -0.0079541000000000, -0.0052472900000000 ] - [ -0.0000540200000000, 0.0001624200000000, 0.0001099100000000 ] - [ 0.0000562200000000, -0.0007014100000000, 0.0000000400000000 ] - [ -0.0000470900000000, -0.0002652700000000, 0.0001622600000000 ] - [ -0.0002292300000000, -0.0009611300000000, 0.0006263200000000 ] - [ 0.0001320500000000, -0.0003156500000000, -0.0000971200000000 ] - [ -0.0001517600000000, -0.0000079700000000, -0.0003045300000000 ] - [ -0.0002102900000000, 0.0016664600000000, 0.0005559300000000 ] - [ 0.0000143000000000, 0.0004807100000000, -0.0001621300000000 ] - [ 0.0003896700000000, 0.0004816000000000, -0.0001034200000000 ] - [ 0.0002362200000000, 0.0017946300000000, 0.0003777400000000 ] - [ 0.0005592200000000, 0.0001142900000000, -0.0001282200000000 ] - [ -0.0002181800000000, 0.0002949500000000, 0.0001786900000000 ] - [ 0.0000439400000000, 0.0007894000000000, -0.0008062100000000 ] - [ 0.0001263400000000, -0.0004530800000000, 0.0004095000000000 ] - [ -0.0002148800000000, -0.0001814900000000, 0.0000271100000000 ] - [ 0.0004904700000000, -0.0007962000000000, 0.0003056700000000 ] - [ 0.0003284100000000, -0.0001627600000000, -0.0000517200000000 ] - [ -0.0013623300000000, -0.0015360500000000, -0.0007677800000000 ] - [ -0.0000716400000000, 0.0001829000000000, 0.0000105900000000 ] - [ 0.0004371000000000, 0.0003395400000000, -0.0002764600000000 ] - [ 0.0000207300000000, 0.0001170800000000, 0.0001581100000000 ] - [ 0.0000154200000000, -0.0002629400000000, -0.0000349900000000 ] - [ 0.0002624600000000, -0.0004091200000000, 0.0001206100000000 ] - [ -0.0001071400000000, -0.0002893100000000, -0.0003554500000000 ] - [ -0.0002543100000000, -0.0004677800000000, 0.0001247500000000 ] - [ 0.0002888100000000, -0.0006682900000000, -0.0001795500000000 ] - [ -0.0001437200000000, 0.0000694300000000, 0.0000863000000000 ] - [ -0.0001359000000000, -0.0007482900000000, 0.0001621400000000 ] - [ 0.0001175700000000, -0.0001093300000000, 0.0001303300000000 ] - [ 0.0002325800000000, -0.0000669500000000, -0.0004085300000000 ] - [ -0.0037128400000000, -0.0018159300000000, 0.0033801500000000 ] - [ 0.0001188400000000, -0.0000245200000000, -0.0002469700000000 ] - [ 0.0011297500000000, -0.0016679000000000, 0.0021253400000000 ] - [ -0.0005335500000000, -0.0010038700000000, 0.0002244000000000 ] - [ -0.0000815900000000, 0.0001159200000000, -0.0001133300000000 ] - [ 0.0006609200000000, -0.0045112700000000, 0.0003399300000000 ] - [ 0.0000046300000000, 0.0000927100000000, -0.0000125800000000 ] - [ 0.0007810900000000, -0.0002747500000000, 0.0020536300000000 ] - [ 0.0011626400000000, -0.0015726400000000, -0.0029534300000000 ] - [ -0.0002647900000000, -0.0004192000000000, 0.0003934900000000 ] - [ -0.0028600100000000, 0.0000093500000000, -0.0028186000000000 ] - [ 0.0038827700000000, 0.0013438600000000, 0.0021019100000000 ] - [ 0.0000972400000000, 0.0004074600000000, -0.0001814900000000 ] - [ -0.0005534900000000, 0.0004941600000000, -0.0002121600000000 ] - [ -0.0000297100000000, 0.0004222900000000, 0.0001025300000000 ] - [ -0.0000184400000000, -0.0003233800000000, 0.0001230800000000 ] - [ -0.0000091100000000, -0.0004722000000000, -0.0000549500000000 ] - [ 0.0001264100000000, -0.0006106400000000, 0.0001187100000000 ] - [ 0.0001407100000000, -0.0004370900000000, -0.0001989600000000 ]- atom: 81 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0000031400000000, 0.0000487400000000, -0.0000104000000000 ] - [ -0.0001562000000000, 0.0001066800000000, -0.0002014800000000 ] - [ 0.0019714900000000, -0.0007988100000000, 0.0025929100000000 ] - [ -0.0000601700000000, 0.0000219100000000, -0.0003824200000000 ] - [ -0.0001549500000000, 0.0000302700000000, -0.0001502000000000 ] - [ 0.0000025100000000, -0.0003743100000000, 0.0000512500000000 ] - [ -0.0232787800000000, -0.0291128100000000, 0.0259021400000000 ] - [ 0.0001491300000000, 0.0000133000000000, -0.0005864400000000 ] - [ 0.0002887900000000, 0.0003490400000000, 0.0006442200000000 ] - [ -0.0004169400000000, -0.0000906200000000, 0.0000650500000000 ] - [ 0.0001202900000000, -0.0000464600000000, -0.0001605800000000 ] - [ 0.0002951800000000, -0.0000216600000000, -0.0002295200000000 ] - [ 0.0000482700000000, 0.0000437400000000, -0.0002517200000000 ] - [ 0.0002093100000000, -0.0000900300000000, 0.0002213500000000 ] - [ -0.0001797200000000, -0.0011105800000000, 0.0004514300000000 ] - [ -0.0000654100000000, 0.0000488300000000, 0.0000641400000000 ] - [ -0.0000617000000000, -0.0004137700000000, -0.0000402800000000 ] - [ -0.0002053900000000, -0.0004316700000000, -0.0002711500000000 ] - [ 0.0003703800000000, 0.0002729800000000, 0.0011224700000000 ] - [ 0.0001697200000000, -0.0006042900000000, -0.0000246900000000 ] - [ -0.0001866400000000, -0.0003196900000000, -0.0001468500000000 ] - [ 0.0002925300000000, 0.0003120400000000, -0.0002509400000000 ] - [ -0.0001056100000000, 0.0001660800000000, -0.0004705100000000 ] - [ -0.0030241400000000, 0.0031685700000000, 0.0007636300000000 ] - [ 0.0013328900000000, -0.0020558200000000, -0.0024230200000000 ] - [ 0.0004256900000000, 0.0003806400000000, -0.0004343400000000 ] - [ -0.0000070400000000, 0.0001542000000000, -0.0000224600000000 ] - [ 0.0174437600000000, -0.0164736800000000, 0.0384868000000000 ] - [ -0.0000484800000000, -0.0000096900000000, 0.0001377500000000 ] - [ -0.0001758900000000, -0.0004165600000000, -0.0000230300000000 ] - [ -0.0000126600000000, -0.0008399900000000, -0.0003045900000000 ] - [ 0.0001300200000000, -0.0002297500000000, -0.0002850300000000 ] - [ 0.0009040300000000, -0.0027998100000000, 0.0026226500000000 ] - [ 0.0000454100000000, 0.0001058900000000, -0.0001615400000000 ] - [ 0.0144170300000000, 0.0144696000000000, 0.0211345300000000 ] - [ 0.0001818800000000, -0.0001496800000000, -0.0006920200000000 ] - [ -0.0000848800000000, -0.0000377600000000, -0.0000898200000000 ] - [ 0.0000697100000000, -0.0001407100000000, -0.0001449600000000 ] - [ 0.0001614600000000, -0.0000121400000000, 0.0000756700000000 ] - [ -0.0003094800000000, 0.0000221700000000, 0.0002933700000000 ] - [ -0.0001345700000000, 0.0001125500000000, -0.0001043500000000 ] - [ 0.0002368300000000, -0.0001556100000000, 0.0001368100000000 ] - [ 0.0005046600000000, -0.0001815800000000, 0.0007272800000000 ] - [ -0.0000922800000000, -0.0000484800000000, -0.0001579700000000 ] - [ -0.0001615200000000, 0.0002852800000000, -0.0000954400000000 ] - [ 0.0000892300000000, 0.0001730700000000, 0.0000609600000000 ] - [ 0.0001283300000000, -0.0002266700000000, 0.0002951600000000 ] - [ -0.0000149500000000, 0.0000348700000000, -0.0002449000000000 ] - [ -0.0006657800000000, 0.0001935900000000, 0.0008324300000000 ] - [ -0.0000735500000000, 0.0000901000000000, 0.0001128000000000 ] - [ -0.0002634800000000, 0.0003637700000000, -0.0001363800000000 ] - [ 0.0001187900000000, -0.0002907000000000, -0.0003612100000000 ] - [ 0.0002533300000000, -0.0001001200000000, -0.0006322300000000 ] - [ -0.0488983700000000, 0.0483337500000000, 0.0642884900000000 ] - [ 0.0021582800000000, 0.0003164300000000, -0.0011336100000000 ] - [ -0.0005350600000000, -0.0001392400000000, -0.0003973700000000 ] - [ -0.0010198200000000, 0.0001013400000000, 0.0002171700000000 ] - [ 0.0001740500000000, -0.0001764900000000, -0.0005379400000000 ] - [ 0.0001992300000000, -0.0005981100000000, 0.0012084600000000 ] - [ 0.0002458200000000, -0.0001854900000000, -0.0000206800000000 ] - [ 0.0010696700000000, 0.0003827700000000, 0.0003256200000000 ] - [ 0.0001113700000000, 0.0002662100000000, 0.0001761700000000 ] - [ -0.0003359700000000, 0.0004416100000000, -0.0004744000000000 ] - [ 0.0005565700000000, -0.0005661900000000, 0.0007143900000000 ] - [ 0.0002461900000000, 0.0001039800000000, 0.0003163500000000 ] - [ 0.0001680300000000, 0.0002789800000000, -0.0002974500000000 ] - [ -0.0001444700000000, 0.0002838800000000, 0.0000690100000000 ] - [ 0.0003741500000000, -0.0002101300000000, 0.0007283000000000 ] - [ 0.0000285200000000, -0.0001442800000000, 0.0000355800000000 ] - [ 0.0000213500000000, -0.0001989300000000, 0.0000123700000000 ] - [ 0.0008460400000000, -0.0002240300000000, -0.0003078900000000 ] - [ -0.0000554500000000, -0.0001756800000000, -0.0003482300000000 ] - [ 0.0001614100000000, -0.0004631900000000, 0.0008819300000000 ] - [ 0.0000645400000000, 0.0001089900000000, -0.0000960800000000 ] - [ 0.0002322000000000, 0.0000052400000000, 0.0001625800000000 ] - [ -0.0000614000000000, -0.0000178200000000, -0.0002606200000000 ] - [ 0.0000122800000000, 0.0000196900000000, -0.0000528700000000 ] - [ 0.0000274700000000, 0.0000629200000000, -0.0001992900000000 ] - [ -0.0001447300000000, -0.0001099600000000, -0.0000219700000000 ] - [ 0.0004644100000000, -0.0000797800000000, 0.0001314400000000 ] - [ 0.0519023100000000, -0.0272710800000000, -0.1553766700000000 ] - [ -0.0002667400000000, 0.0001245500000000, 0.0006705900000000 ] - [ -0.0128654500000000, 0.0071938100000000, 0.0095460900000000 ] - [ 0.0001000100000000, 0.0001836800000000, 0.0007739200000000 ] - [ -0.0001178400000000, -0.0000623600000000, 0.0000193400000000 ] - [ 0.0012244600000000, -0.0001800700000000, -0.0005873800000000 ] - [ -0.0001414000000000, -0.0000586800000000, 0.0005476800000000 ] - [ -0.0003982400000000, 0.0002233000000000, 0.0004771400000000 ] - [ -0.0000273800000000, -0.0000854500000000, -0.0000685600000000 ] - [ 0.0006361500000000, -0.0000695700000000, 0.0002932500000000 ] - [ -0.0001474100000000, 0.0000010500000000, 0.0001165900000000 ] - [ -0.0006240200000000, 0.0001611700000000, 0.0000430700000000 ] - [ -0.0023674500000000, 0.0095853800000000, 0.0065021500000000 ] - [ -0.0007278400000000, -0.0001316700000000, 0.0006414200000000 ] - [ 0.0038514600000000, -0.0037102400000000, -0.0129168500000000 ] - [ 0.0000123700000000, 0.0003149400000000, 0.0004057900000000 ] - [ -0.0002843000000000, 0.0001742600000000, -0.0007204900000000 ] - [ 0.0000007000000000, -0.0000093900000000, 0.0002678100000000 ] - [ 0.0001599500000000, 0.0008180500000000, -0.0013989600000000 ] - [ 0.0000221400000000, 0.0000303500000000, 0.0001172000000000 ] - [ 0.0002346900000000, 0.0000928400000000, 0.0001357400000000 ] - [ -0.0002173000000000, -0.0007516600000000, -0.0002109400000000 ] - [ -0.0001836400000000, -0.0003591900000000, 0.0003224300000000 ] - [ -0.0000985700000000, -0.0003212400000000, 0.0003455800000000 ] - [ 0.0005883700000000, -0.0001805300000000, 0.0001842800000000 ] - [ -0.0001881300000000, 0.0003343200000000, 0.0003103000000000 ] - [ 0.0000462900000000, -0.0001317000000000, 0.0001224700000000 ] - [ -0.0007405500000000, 0.0007090300000000, -0.0003000300000000 ] - [ -0.0009319100000000, 0.0000543300000000, -0.0010845600000000 ] - [ -0.0001622700000000, 0.0000529400000000, 0.0002816200000000 ] - [ -0.0005784700000000, 0.0007530000000000, -0.0014640900000000 ] - [ 0.0002883900000000, -0.0000737900000000, 0.0001907900000000 ] - [ 0.0009687200000000, 0.0015816200000000, 0.0007428600000000 ] - [ -0.0000996400000000, 0.0001606700000000, 0.0002003300000000 ] - [ 0.0003664900000000, 0.0005590400000000, -0.0006421800000000 ] - [ 0.0000606600000000, 0.0001766500000000, 0.0001516500000000 ] - [ 0.0000113300000000, -0.0000252300000000, 0.0000217500000000 ] - [ 0.0000530300000000, -0.0001741500000000, 0.0003316700000000 ] - [ 0.0000884400000000, -0.0000121700000000, 0.0001364500000000 ] - [ -0.0000385200000000, -0.0001284400000000, -0.0000252500000000 ] - [ -0.0003708400000000, -0.0002387200000000, -0.0007032200000000 ] - [ 0.0000068400000000, 0.0002156300000000, 0.0000786100000000 ] - [ -0.0000426500000000, 0.0005788600000000, -0.0003515200000000 ] - [ -0.0000303900000000, 0.0001999200000000, 0.0002823100000000 ] - [ 0.0003505500000000, 0.0001253500000000, 0.0007622100000000 ] - [ -0.0024079600000000, -0.0034013400000000, -0.0012271200000000 ] - [ -0.0006635600000000, 0.0001864700000000, -0.0000140200000000 ] - [ 0.0002738200000000, -0.0006249700000000, 0.0014340300000000 ] - [ -0.0011882300000000, -0.0012072600000000, 0.0005854200000000 ] - [ 0.0000927500000000, 0.0002378100000000, 0.0002491300000000 ] - [ 0.0018987900000000, 0.0047460600000000, -0.0034499500000000 ] - [ -0.0000549200000000, 0.0000177900000000, 0.0003330500000000 ] - [ 0.0012326600000000, -0.0017028900000000, 0.0028550200000000 ] - [ -0.0010880200000000, 0.0007777000000000, 0.0034076800000000 ] - [ -0.0002850000000000, -0.0004237800000000, 0.0004707600000000 ] - [ 0.0020600500000000, 0.0013677400000000, -0.0036818500000000 ] - [ -0.0048155000000000, -0.0008637400000000, -0.0029758500000000 ] - [ 0.0000179400000000, 0.0002066700000000, 0.0003024600000000 ] - [ -0.0007714300000000, 0.0002872100000000, -0.0004265700000000 ] - [ 0.0002069200000000, 0.0002344400000000, 0.0002410600000000 ] - [ 0.0000110600000000, -0.0002830600000000, 0.0001480400000000 ] - [ -0.0000829800000000, -0.0003363700000000, -0.0000161200000000 ] - [ 0.0000823400000000, -0.0003457800000000, -0.0001551600000000 ] - [ -0.0002310700000000, -0.0001030600000000, 0.0003238200000000 ]- atom: 81 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ -0.0000049200000000, 0.0001286400000000, 0.0000079000000000 ] - [ 0.0001552900000000, 0.0000698200000000, 0.0002003900000000 ] - [ -0.0019794200000000, 0.0006248700000000, -0.0025987300000000 ] - [ 0.0000617900000000, -0.0002010700000000, 0.0003866400000000 ] - [ 0.0001550000000000, -0.0000681400000000, 0.0001522700000000 ] - [ -0.0000004100000000, 0.0003399500000000, -0.0000489200000000 ] - [ 0.0222944600000000, 0.0280715600000000, -0.0252446000000000 ] - [ -0.0001482100000000, 0.0000266500000000, 0.0005857400000000 ] - [ -0.0004932300000000, -0.0004298000000000, -0.0002518200000000 ] - [ 0.0002174300000000, 0.0000112100000000, 0.0003282900000000 ] - [ 0.0000804400000000, -0.0000319400000000, -0.0002336400000000 ] - [ -0.0000978600000000, -0.0000576700000000, -0.0001629200000000 ] - [ 0.0001513400000000, 0.0000340200000000, -0.0001400600000000 ] - [ -0.0000086300000000, 0.0001649400000000, -0.0006157100000000 ] - [ -0.0000206100000000, 0.0011913600000000, -0.0000585900000000 ] - [ -0.0001351700000000, 0.0000274100000000, 0.0003306700000000 ] - [ -0.0002023700000000, -0.0000348600000000, -0.0003632600000000 ] - [ -0.0000580700000000, -0.0000139800000000, -0.0001318000000000 ] - [ -0.0001035700000000, -0.0007338500000000, -0.0007215500000000 ] - [ 0.0000959000000000, 0.0001528800000000, 0.0004305100000000 ] - [ 0.0004535300000000, 0.0007986900000000, 0.0005819000000000 ] - [ -0.0000298200000000, 0.0001346900000000, 0.0006578500000000 ] - [ -0.0001605500000000, 0.0002840400000000, 0.0000661200000000 ] - [ 0.0027508700000000, -0.0027124100000000, -0.0011726900000000 ] - [ -0.0011101900000000, 0.0025394100000000, 0.0020388500000000 ] - [ -0.0002043200000000, 0.0001064600000000, 0.0000490100000000 ] - [ -0.0002136900000000, 0.0003298400000000, 0.0004110300000000 ] - [ -0.0181160900000000, 0.0172658400000000, -0.0382696200000000 ] - [ -0.0001740700000000, -0.0004789100000000, 0.0002515700000000 ] - [ -0.0000449700000000, -0.0000690300000000, 0.0004134900000000 ] - [ 0.0002361100000000, 0.0003600200000000, -0.0000791700000000 ] - [ 0.0000904100000000, -0.0002559900000000, -0.0001035500000000 ] - [ -0.0007607700000000, 0.0027983000000000, -0.0023412300000000 ] - [ 0.0000950000000000, -0.0001091200000000, 0.0004573900000000 ] - [ -0.0142627500000000, -0.0142068300000000, -0.0213683400000000 ] - [ -0.0003254700000000, 0.0001479000000000, 0.0003988000000000 ] - [ -0.0000544500000000, 0.0000396300000000, -0.0002062500000000 ] - [ -0.0002088300000000, 0.0001443900000000, -0.0001514700000000 ] - [ -0.0000189500000000, 0.0000129600000000, 0.0002196600000000 ] - [ 0.0004521700000000, -0.0000226100000000, 0.0000006000000000 ] - [ 0.0001334700000000, 0.0000641600000000, 0.0001020800000000 ] - [ -0.0002385000000000, 0.0003334000000000, -0.0001377300000000 ] - [ -0.0005070000000000, 0.0000068800000000, -0.0007282000000000 ] - [ 0.0000900000000000, -0.0001290100000000, 0.0001571300000000 ] - [ 0.0001607800000000, -0.0003241600000000, 0.0000971700000000 ] - [ -0.0000906500000000, -0.0002115800000000, -0.0000597100000000 ] - [ -0.0001287900000000, 0.0002625700000000, -0.0002970400000000 ] - [ 0.0000157000000000, 0.0000025200000000, 0.0002445700000000 ] - [ 0.0004685800000000, -0.0002709500000000, -0.0004373000000000 ] - [ -0.0001249700000000, -0.0001714700000000, 0.0002788900000000 ] - [ 0.0004695400000000, -0.0004364100000000, -0.0002636700000000 ] - [ 0.0000797400000000, 0.0002149500000000, -0.0000304100000000 ] - [ -0.0000541000000000, 0.0001777300000000, 0.0002408200000000 ] - [ 0.0509372300000000, -0.0503989900000000, -0.0662633500000000 ] - [ -0.0024026800000000, -0.0002355800000000, 0.0015623200000000 ] - [ 0.0003362100000000, 0.0002140700000000, 0.0007978100000000 ] - [ 0.0007526400000000, -0.0005510000000000, -0.0006307700000000 ] - [ -0.0004406100000000, -0.0002742100000000, 0.0001346600000000 ] - [ 0.0000676200000000, 0.0001479400000000, -0.0008074500000000 ] - [ 0.0000171800000000, -0.0002646300000000, 0.0004253700000000 ] - [ -0.0008100400000000, 0.0000661700000000, 0.0000777300000000 ] - [ 0.0001558700000000, 0.0001853600000000, 0.0002308200000000 ] - [ 0.0000723000000000, 0.0000059500000000, 0.0000718200000000 ] - [ -0.0008264500000000, 0.0010188200000000, -0.0011136000000000 ] - [ -0.0000250500000000, 0.0003820400000000, -0.0007067300000000 ] - [ 0.0000525000000000, 0.0002055600000000, -0.0000895900000000 ] - [ -0.0000780100000000, 0.0002024100000000, 0.0003210200000000 ] - [ -0.0005944900000000, 0.0006935400000000, -0.0003401000000000 ] - [ -0.0002535700000000, -0.0003468600000000, 0.0003494300000000 ] - [ -0.0002439400000000, -0.0002876100000000, 0.0003772300000000 ] - [ -0.0006306500000000, -0.0002632700000000, -0.0000783600000000 ] - [ 0.0002775500000000, -0.0003117200000000, -0.0000395800000000 ] - [ -0.0000272700000000, 0.0004643600000000, -0.0005894400000000 ] - [ 0.0000766100000000, -0.0001104600000000, 0.0003910800000000 ] - [ -0.0003740900000000, -0.0000068000000000, -0.0004585500000000 ] - [ -0.0000782500000000, 0.0000137900000000, -0.0000355300000000 ] - [ -0.0001533400000000, -0.0000198600000000, -0.0002423600000000 ] - [ -0.0001693600000000, -0.0000619600000000, -0.0000947500000000 ] - [ 0.0002862900000000, 0.0001095100000000, 0.0003164300000000 ] - [ -0.0003271900000000, 0.0000816000000000, 0.0001658700000000 ] - [ -0.0526196500000000, 0.0300923600000000, 0.1564847700000000 ] - [ 0.0002227100000000, -0.0000214700000000, -0.0004610800000000 ] - [ 0.0128447300000000, -0.0071598000000000, -0.0097162000000000 ] - [ -0.0000578100000000, -0.0000817700000000, -0.0009916200000000 ] - [ 0.0001607800000000, -0.0000420500000000, -0.0002306900000000 ] - [ -0.0011865400000000, 0.0000729300000000, 0.0003742900000000 ] - [ 0.0000952100000000, -0.0000492100000000, -0.0003343300000000 ] - [ 0.0003569200000000, -0.0003286100000000, -0.0002652500000000 ] - [ 0.0003036000000000, -0.0001702800000000, -0.0000822500000000 ] - [ -0.0003616600000000, -0.0001857000000000, -0.0004429700000000 ] - [ -0.0001291300000000, -0.0002566000000000, 0.0000311300000000 ] - [ 0.0003475800000000, -0.0004181300000000, 0.0001023500000000 ] - [ 0.0021541200000000, -0.0092945800000000, -0.0063544100000000 ] - [ 0.0004544500000000, 0.0003874300000000, -0.0004960800000000 ] - [ -0.0035607400000000, 0.0039742400000000, 0.0127879300000000 ] - [ 0.0002636300000000, -0.0000622500000000, -0.0005581400000000 ] - [ 0.0002416600000000, -0.0000699100000000, 0.0009343400000000 ] - [ -0.0000434300000000, 0.0001121700000000, -0.0000560100000000 ] - [ -0.0001168200000000, -0.0007202700000000, 0.0011921100000000 ] - [ 0.0000215400000000, 0.0000725700000000, -0.0003303100000000 ] - [ -0.0001911500000000, -0.0001976900000000, -0.0003510200000000 ] - [ 0.0002629300000000, 0.0006498000000000, -0.0000037200000000 ] - [ 0.0001435500000000, 0.0002572600000000, -0.0001090200000000 ] - [ 0.0000581300000000, 0.0002180700000000, -0.0001325300000000 ] - [ -0.0003091500000000, -0.0000704300000000, -0.0003295300000000 ] - [ 0.0004673000000000, -0.0005931400000000, -0.0004626900000000 ] - [ -0.0003210100000000, -0.0001235900000000, 0.0000281100000000 ] - [ 0.0004684300000000, -0.0009663400000000, 0.0004475200000000 ] - [ 0.0006587600000000, 0.0002023300000000, 0.0012374500000000 ] - [ -0.0001143400000000, 0.0002016700000000, -0.0001327200000000 ] - [ 0.0008600100000000, -0.0005001200000000, 0.0013139300000000 ] - [ -0.0000125700000000, 0.0003279300000000, -0.0003413800000000 ] - [ -0.0010142400000000, -0.0013123000000000, -0.0007896400000000 ] - [ 0.0000715100000000, 0.0001221600000000, -0.0002450400000000 ] - [ -0.0003352900000000, -0.0002763000000000, 0.0006870000000000 ] - [ -0.0000315500000000, 0.0001052800000000, -0.0001077500000000 ] - [ 0.0000176800000000, -0.0002587000000000, 0.0000219500000000 ] - [ -0.0000232200000000, -0.0001099400000000, -0.0002863400000000 ] - [ -0.0001194800000000, -0.0002728300000000, -0.0001849400000000 ] - [ 0.0000108200000000, -0.0001538500000000, -0.0000196300000000 ] - [ 0.0002831500000000, 0.0006484500000000, 0.0005843300000000 ] - [ -0.0000952600000000, 0.0001962900000000, -0.0001983500000000 ] - [ 0.0001302900000000, -0.0001717500000000, 0.0004754100000000 ] - [ 0.0001184700000000, 0.0002121800000000, -0.0001639700000000 ] - [ -0.0002615000000000, -0.0005369500000000, -0.0006475500000000 ] - [ 0.0025085600000000, 0.0030117800000000, 0.0013559400000000 ] - [ 0.0005766900000000, -0.0006018500000000, -0.0001046400000000 ] - [ -0.0003543000000000, 0.0002029200000000, -0.0015388900000000 ] - [ 0.0011693700000000, 0.0015058900000000, -0.0006328100000000 ] - [ -0.0001223900000000, 0.0000434700000000, -0.0002951900000000 ] - [ -0.0018717000000000, -0.0044777900000000, 0.0035001600000000 ] - [ 0.0000842700000000, 0.0002644100000000, -0.0002896700000000 ] - [ -0.0012150400000000, 0.0014172400000000, -0.0028138700000000 ] - [ 0.0011183200000000, -0.0010644300000000, -0.0033606800000000 ] - [ 0.0002570600000000, 0.0001428000000000, -0.0005217200000000 ] - [ -0.0020913100000000, -0.0016438800000000, 0.0036517600000000 ] - [ 0.0047417800000000, 0.0012753800000000, 0.0028655200000000 ] - [ -0.0001065600000000, 0.0002049800000000, -0.0004239900000000 ] - [ 0.0008659700000000, 0.0001236200000000, 0.0005507500000000 ] - [ -0.0001205000000000, 0.0001776200000000, -0.0001224200000000 ] - [ 0.0000774500000000, -0.0001299800000000, -0.0000294900000000 ] - [ 0.0001708400000000, -0.0000767900000000, 0.0001357800000000 ] - [ -0.0001693400000000, -0.0000691200000000, 0.0000371200000000 ] - [ 0.0001442700000000, -0.0003108900000000, -0.0004438700000000 ]- atom: 89 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ 0.0238708400000000, -0.0251670400000000, 0.0192769800000000 ] - [ 0.0001620300000000, 0.0001530600000000, 0.0002559800000000 ] - [ 0.0009168800000000, 0.0002861100000000, 0.0005522900000000 ] - [ 0.0001662100000000, 0.0000750900000000, 0.0000059100000000 ] - [ 0.0031666300000000, -0.0008861000000000, -0.0026892100000000 ] - [ -0.0000076800000000, 0.0000099700000000, 0.0004895400000000 ] - [ 0.0001611600000000, -0.0000241200000000, 0.0001844300000000 ] - [ 0.0001113200000000, 0.0000388400000000, -0.0000015600000000 ] - [ -0.0003674400000000, -0.0000549200000000, 0.0001730500000000 ] - [ -0.0010776300000000, 0.0002340800000000, 0.0002837300000000 ] - [ 0.0003303400000000, -0.0007297000000000, -0.0001427300000000 ] - [ 0.0000531500000000, -0.0001093900000000, -0.0002056800000000 ] - [ -0.0005472200000000, 0.0002318400000000, -0.0000025000000000 ] - [ 0.0004496200000000, 0.0003313100000000, -0.0005406500000000 ] - [ -0.0016149300000000, -0.0000211900000000, 0.0001200300000000 ] - [ -0.0002383400000000, 0.0000067600000000, 0.0000886500000000 ] - [ 0.0423199200000000, 0.0312930500000000, 0.0360086800000000 ] - [ -0.0002398200000000, -0.0003998600000000, 0.0005015500000000 ] - [ -0.0001243300000000, -0.0000166200000000, 0.0007753700000000 ] - [ -0.0017576700000000, 0.0000152700000000, -0.0014063700000000 ] - [ -0.0003649000000000, 0.0007473800000000, 0.0007013700000000 ] - [ 0.0001972700000000, 0.0002003900000000, 0.0001722300000000 ] - [ 0.0006339400000000, -0.0002186600000000, 0.0005154200000000 ] - [ 0.0002946500000000, 0.0004814400000000, -0.0002400300000000 ] - [ 0.0005783900000000, 0.0005062200000000, 0.0000049800000000 ] - [ 0.0002362900000000, 0.0003991700000000, -0.0002405700000000 ] - [ 0.0002610900000000, 0.0002964400000000, 0.0000080500000000 ] - [ 0.0000807200000000, 0.0003456600000000, 0.0003867800000000 ] - [ 0.0282702200000000, 0.0226588900000000, -0.0281919800000000 ] - [ 0.0001559500000000, -0.0000809700000000, 0.0002854400000000 ] - [ 0.0004094400000000, -0.0000670400000000, -0.0001834900000000 ] - [ 0.0034604000000000, -0.0030535300000000, -0.0008014700000000 ] - [ 0.0007604500000000, -0.0003559800000000, 0.0003036900000000 ] - [ 0.0003781600000000, -0.0001225400000000, 0.0003130900000000 ] - [ -0.0000076800000000, 0.0001458300000000, 0.0000312900000000 ] - [ 0.0003678600000000, 0.0000962100000000, -0.0002419000000000 ] - [ -0.0027604700000000, -0.0018948600000000, -0.0019194100000000 ] - [ -0.0000128000000000, -0.0000255500000000, 0.0000047700000000 ] - [ 0.0491442300000000, -0.0221368400000000, -0.0199844700000000 ] - [ 0.0003160000000000, 0.0001788500000000, 0.0001295600000000 ] - [ -0.0003224000000000, 0.0000507400000000, -0.0001986700000000 ] - [ -0.0000139800000000, 0.0000169900000000, -0.0000636900000000 ] - [ -0.0003057500000000, 0.0000051300000000, -0.0001701200000000 ] - [ -0.0002119400000000, -0.0000748500000000, -0.0001518400000000 ] - [ -0.0004821600000000, -0.0000377800000000, 0.0003092100000000 ] - [ -0.0001110600000000, -0.0002099400000000, -0.0005845000000000 ] - [ -0.0004107100000000, 0.0002030600000000, -0.0002545100000000 ] - [ -0.0003539500000000, 0.0000306500000000, -0.0000511800000000 ] - [ 0.0000510800000000, -0.0001795500000000, 0.0008719400000000 ] - [ 0.0009344800000000, 0.0037971400000000, 0.0031545000000000 ] - [ -0.0017740600000000, -0.0020686200000000, -0.0004102300000000 ] - [ 0.0001902300000000, -0.0000695500000000, -0.0001508300000000 ] - [ 0.0003116000000000, 0.0000305300000000, -0.0002938400000000 ] - [ 0.0000369500000000, -0.0000095900000000, -0.0001118200000000 ] - [ 0.0002586300000000, -0.0011013200000000, -0.0001576600000000 ] - [ -0.0000406600000000, 0.0001886500000000, 0.0002784100000000 ] - [ -0.0004221100000000, -0.0005554800000000, -0.0002679300000000 ] - [ -0.0001834700000000, -0.0002365100000000, -0.0002850000000000 ] - [ 0.0002939500000000, -0.0003383700000000, 0.0001942100000000 ] - [ 0.0000763500000000, 0.0000883800000000, 0.0002362100000000 ] - [ 0.0004103000000000, 0.0008132200000000, -0.0003627100000000 ] - [ -0.0001906100000000, 0.0002873500000000, 0.0003088800000000 ] - [ -0.0002729200000000, 0.0001033600000000, -0.0004444800000000 ] - [ -0.0004287200000000, 0.0002558400000000, -0.0002074600000000 ] - [ -0.0002774800000000, 0.0003014300000000, -0.0001926600000000 ] - [ -0.0000583700000000, 0.0001846200000000, -0.0002499700000000 ] - [ -0.0005295900000000, 0.0003557400000000, 0.0001215900000000 ] - [ -0.0003538900000000, 0.0003775900000000, 0.0000671000000000 ] - [ -0.0004650400000000, -0.0004811200000000, 0.0002391200000000 ] - [ -0.0001608100000000, -0.0003103700000000, 0.0001294100000000 ] - [ 0.0001062700000000, -0.0004050200000000, -0.0002400600000000 ] - [ -0.0002075200000000, -0.0001357000000000, -0.0000996900000000 ] - [ -0.0003002400000000, -0.0000150200000000, 0.0002340200000000 ] - [ -0.0001392500000000, 0.0000191600000000, 0.0000116400000000 ] - [ -0.0006269100000000, 0.0002454300000000, -0.0003426000000000 ] - [ -0.0003976800000000, 0.0001106000000000, -0.0000438900000000 ] - [ -0.0003372300000000, -0.0001605300000000, 0.0000143600000000 ] - [ -0.0000546700000000, -0.0000712600000000, -0.0001237300000000 ] - [ -0.0002234900000000, 0.0000652100000000, 0.0002392000000000 ] - [ -0.0000249500000000, -0.0000609500000000, 0.0000988200000000 ] - [ -0.0001523500000000, -0.0000387100000000, -0.0001002100000000 ] - [ -0.0005709200000000, 0.0001234900000000, 0.0004626400000000 ] - [ -0.0007987700000000, 0.0002724300000000, -0.0008314500000000 ] - [ -0.0002436800000000, 0.0000060800000000, -0.0001867300000000 ] - [ -0.0164354500000000, -0.0068306200000000, -0.0071077300000000 ] - [ -0.0000667000000000, -0.0003151600000000, -0.0007572300000000 ] - [ 0.0084431900000000, 0.0113828600000000, 0.0065900000000000 ] - [ -0.0003193000000000, -0.0002485700000000, -0.0001194800000000 ] - [ -0.1521049000000000, -0.0179266000000000, -0.0128777700000000 ] - [ -0.0001487500000000, -0.0001532300000000, -0.0004084400000000 ] - [ 0.0083575900000000, 0.0066398200000000, 0.0118031500000000 ] - [ -0.0000739800000000, -0.0003429500000000, -0.0002811200000000 ] - [ -0.0001605100000000, -0.0005891300000000, -0.0006017700000000 ] - [ -0.0001226800000000, 0.0000239200000000, 0.0002442000000000 ] - [ -0.0013319500000000, -0.0000443300000000, -0.0000978200000000 ] - [ -0.0013331900000000, 0.0001001600000000, -0.0003317800000000 ] - [ 0.0007093100000000, -0.0000300300000000, 0.0007606900000000 ] - [ 0.0008614200000000, -0.0003682200000000, -0.0000042400000000 ] - [ 0.0011159500000000, 0.0002593800000000, -0.0004221600000000 ] - [ 0.0003371400000000, -0.0000328600000000, 0.0001695300000000 ] - [ 0.0008358400000000, -0.0003062900000000, -0.0006723300000000 ] - [ 0.0003075300000000, 0.0000241400000000, -0.0000588800000000 ] - [ 0.0008795800000000, 0.0002858700000000, -0.0003518000000000 ] - [ -0.0001202700000000, 0.0001377600000000, 0.0002276800000000 ] - [ 0.0006853500000000, -0.0000568900000000, -0.0000035800000000 ] - [ 0.0002134000000000, -0.0000520100000000, 0.0000033100000000 ] - [ 0.0004109700000000, -0.0000591600000000, 0.0000183800000000 ] - [ -0.0002967600000000, 0.0000980600000000, 0.0001474200000000 ] - [ 0.0005665600000000, -0.0004749800000000, 0.0000079500000000 ] - [ 0.0002256300000000, 0.0000488500000000, 0.0001256900000000 ] - [ 0.0005768700000000, 0.0001447800000000, -0.0000329900000000 ] - [ 0.0005821600000000, 0.0002099500000000, 0.0001140900000000 ] - [ 0.0005627900000000, 0.0000237300000000, -0.0001888000000000 ] - [ 0.0001190400000000, -0.0000188800000000, 0.0004160100000000 ] - [ 0.0011928100000000, 0.0011733700000000, 0.0020575200000000 ] - [ 0.0003533800000000, 0.0003342500000000, -0.0000919800000000 ] - [ 0.0050781700000000, 0.0009293200000000, -0.0005966300000000 ] - [ 0.0000940100000000, -0.0001572700000000, 0.0001325500000000 ] - [ 0.0009570800000000, -0.0003192600000000, -0.0001100100000000 ] - [ 0.0002337200000000, -0.0000912700000000, 0.0000986000000000 ] - [ -0.0028706600000000, -0.0020453700000000, 0.0005217100000000 ] - [ 0.0002924000000000, 0.0010578600000000, -0.0019180100000000 ] - [ 0.0024134800000000, -0.0004667700000000, -0.0006600900000000 ] - [ -0.0001243900000000, 0.0003399700000000, 0.0005178100000000 ] - [ 0.0015473400000000, -0.0013606600000000, 0.0006032600000000 ] - [ 0.0001123400000000, -0.0002812700000000, 0.0000087100000000 ] - [ -0.0020760900000000, 0.0029934300000000, -0.0029375400000000 ] - [ -0.0001344600000000, -0.0000808900000000, -0.0000942700000000 ] - [ -0.0015781400000000, 0.0023387200000000, 0.0009723800000000 ] - [ 0.0002695700000000, -0.0001073400000000, -0.0005238100000000 ] - [ 0.0003040600000000, 0.0003477400000000, -0.0003732700000000 ] - [ -0.0001675300000000, 0.0002830900000000, 0.0002353500000000 ] - [ -0.0000986900000000, 0.0003856300000000, 0.0002748500000000 ] - [ -0.0000158600000000, -0.0001309000000000, -0.0000266800000000 ] - [ -0.0003531800000000, -0.0008690000000000, 0.0004327400000000 ] - [ -0.0000525400000000, 0.0000240200000000, -0.0001600900000000 ] - [ 0.0001284000000000, 0.0002283300000000, -0.0000767000000000 ] - [ 0.0000433300000000, 0.0002119900000000, 0.0000568200000000 ] - [ -0.0001408500000000, 0.0003079300000000, 0.0001821900000000 ] - [ 0.0001311500000000, 0.0001604100000000, 0.0000369200000000 ] - [ 0.0011901100000000, -0.0008229200000000, -0.0001696100000000 ] - [ -0.0002639700000000, -0.0003748100000000, 0.0000825600000000 ] - [ 0.0009170300000000, -0.0000595000000000, 0.0000091900000000 ] - [ -0.0000126100000000, -0.0002177300000000, 0.0000306400000000 ]- atom: 89 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ -0.0235463600000000, 0.0247372100000000, -0.0186331200000000 ] - [ -0.0001609900000000, 0.0000231200000000, -0.0002551900000000 ] - [ -0.0009172200000000, -0.0004562900000000, -0.0005465200000000 ] - [ -0.0001673900000000, -0.0002524400000000, -0.0000060300000000 ] - [ -0.0031775600000000, 0.0008418000000000, 0.0026861100000000 ] - [ 0.0000066500000000, -0.0000477100000000, -0.0004871300000000 ] - [ -0.0001621100000000, 0.0000603500000000, -0.0001836000000000 ] - [ -0.0001122700000000, -0.0000024300000000, 0.0000023900000000 ] - [ 0.0001663500000000, -0.0000224400000000, 0.0002229800000000 ] - [ 0.0008829500000000, -0.0003102000000000, 0.0001132400000000 ] - [ -0.0001281500000000, 0.0006578500000000, -0.0002476900000000 ] - [ 0.0001468800000000, 0.0000307300000000, -0.0001858900000000 ] - [ 0.0007479600000000, -0.0001564500000000, -0.0003909900000000 ] - [ -0.0002468600000000, -0.0002515700000000, 0.0001502400000000 ] - [ 0.0014169000000000, 0.0000977000000000, 0.0002758900000000 ] - [ 0.0000391100000000, 0.0000705100000000, 0.0003082300000000 ] - [ -0.0430192100000000, -0.0326787600000000, -0.0374585800000000 ] - [ -0.0000246300000000, -0.0000499600000000, -0.0009058600000000 ] - [ 0.0003886600000000, -0.0004333200000000, -0.0003687200000000 ] - [ 0.0020533300000000, -0.0004632200000000, 0.0018391500000000 ] - [ 0.0006274200000000, -0.0002973800000000, -0.0002979300000000 ] - [ 0.0000672700000000, 0.0002493700000000, 0.0002344700000000 ] - [ -0.0008980300000000, 0.0006696800000000, -0.0009258100000000 ] - [ -0.0005576300000000, -0.0000293800000000, -0.0001631200000000 ] - [ -0.0003579900000000, -0.0000188300000000, -0.0003941800000000 ] - [ -0.0000156300000000, 0.0000852700000000, -0.0001469100000000 ] - [ -0.0004849100000000, 0.0001912300000000, 0.0003793400000000 ] - [ -0.0003019100000000, 0.0001415800000000, 0.0000027600000000 ] - [ -0.0280154600000000, -0.0222862600000000, 0.0278319300000000 ] - [ -0.0003781700000000, -0.0004058700000000, 0.0001035500000000 ] - [ -0.0001883100000000, -0.0004209300000000, -0.0002024800000000 ] - [ -0.0032505400000000, 0.0025661200000000, 0.0004094700000000 ] - [ -0.0006202500000000, 0.0003535100000000, -0.0000064300000000 ] - [ -0.0002372500000000, 0.0001214800000000, -0.0000178000000000 ] - [ -0.0001334200000000, -0.0001454700000000, -0.0003241500000000 ] - [ -0.0005076100000000, -0.0000989900000000, -0.0000513400000000 ] - [ 0.0026248500000000, 0.0018939600000000, 0.0016234400000000 ] - [ -0.0001265600000000, 0.0000260000000000, -0.0002980100000000 ] - [ -0.0498116800000000, 0.0230658700000000, 0.0211701000000000 ] - [ -0.0001771600000000, -0.0001772700000000, 0.0001699800000000 ] - [ 0.0003237400000000, 0.0001255000000000, 0.0001987100000000 ] - [ 0.0000140000000000, 0.0001596200000000, 0.0000632800000000 ] - [ 0.0003065300000000, -0.0001841400000000, 0.0001711900000000 ] - [ 0.0002117700000000, -0.0001025100000000, 0.0001536200000000 ] - [ 0.0004865800000000, 0.0000013500000000, -0.0003109400000000 ] - [ 0.0001121500000000, 0.0001697500000000, 0.0005823300000000 ] - [ 0.0004137100000000, -0.0001680700000000, 0.0002553100000000 ] - [ 0.0003555700000000, 0.0000053400000000, 0.0000516900000000 ] - [ -0.0002505600000000, 0.0001004200000000, -0.0004783400000000 ] - [ -0.0011364900000000, -0.0038679600000000, -0.0027517600000000 ] - [ 0.0020078000000000, 0.0020224800000000, 0.0000240900000000 ] - [ 0.0000094200000000, -0.0000090400000000, -0.0002429000000000 ] - [ -0.0001129400000000, 0.0000460200000000, -0.0000982400000000 ] - [ 0.0001627200000000, 0.0000874600000000, -0.0002813100000000 ] - [ -0.0004579800000000, 0.0011787900000000, 0.0005528900000000 ] - [ -0.0001572800000000, -0.0001105000000000, 0.0001157600000000 ] - [ 0.0001587900000000, 0.0001059700000000, -0.0001359500000000 ] - [ -0.0000808300000000, -0.0002137000000000, -0.0001181000000000 ] - [ -0.0000273900000000, -0.0001125000000000, 0.0002128300000000 ] - [ 0.0001897900000000, -0.0005345500000000, 0.0001698000000000 ] - [ -0.0001433300000000, -0.0003644900000000, 0.0007677800000000 ] - [ 0.0004574700000000, 0.0001623100000000, 0.0000982000000000 ] - [ 0.0000089900000000, 0.0003447200000000, 0.0000415700000000 ] - [ 0.0001662300000000, 0.0001918400000000, -0.0001945900000000 ] - [ 0.0005005400000000, 0.0001819200000000, -0.0001955600000000 ] - [ 0.0002801800000000, 0.0003009300000000, -0.0001371500000000 ] - [ 0.0003083100000000, 0.0001298500000000, 0.0002674800000000 ] - [ 0.0001342400000000, 0.0001070700000000, 0.0003246200000000 ] - [ 0.0002468200000000, -0.0000029200000000, 0.0001503800000000 ] - [ -0.0000599200000000, -0.0001770500000000, 0.0002618600000000 ] - [ 0.0001161800000000, -0.0000830700000000, -0.0001462100000000 ] - [ 0.0004309300000000, -0.0003515100000000, -0.0002876800000000 ] - [ 0.0004415300000000, 0.0000129200000000, 0.0000606900000000 ] - [ 0.0002797400000000, -0.0000203900000000, 0.0002836000000000 ] - [ 0.0004915100000000, -0.0002527200000000, 0.0000499800000000 ] - [ 0.0002590000000000, -0.0001132800000000, -0.0002499800000000 ] - [ 0.0001988400000000, 0.0001639500000000, -0.0003103300000000 ] - [ -0.0000846600000000, 0.0000732400000000, -0.0001706900000000 ] - [ 0.0003634700000000, -0.0000644400000000, 0.0000552100000000 ] - [ 0.0001657300000000, 0.0000612800000000, 0.0001966100000000 ] - [ 0.0001109800000000, 0.0001409200000000, 0.0003140800000000 ] - [ 0.0005314100000000, -0.0000200100000000, -0.0002490400000000 ] - [ 0.0008435900000000, -0.0001720500000000, 0.0006197400000000 ] - [ 0.0002873100000000, 0.0000947500000000, -0.0000225500000000 ] - [ 0.0165173100000000, 0.0067341500000000, 0.0069103200000000 ] - [ 0.0001107400000000, 0.0002120500000000, 0.0005481400000000 ] - [ -0.0084535900000000, -0.0114448800000000, -0.0064363600000000 ] - [ 0.0002781100000000, 0.0001448200000000, 0.0003324600000000 ] - [ 0.1526689000000000, 0.0174802100000000, 0.0127912500000000 ] - [ 0.0004286700000000, -0.0001030200000000, 0.0002610800000000 ] - [ -0.0086094500000000, -0.0069574500000000, -0.0116111500000000 ] - [ -0.0002016200000000, 0.0000895400000000, 0.0004304000000000 ] - [ -0.0001110300000000, 0.0008390900000000, 0.0007568600000000 ] - [ -0.0001531800000000, 0.0002296800000000, -0.0000949400000000 ] - [ 0.0016048500000000, 0.0002940200000000, -0.0000537500000000 ] - [ 0.0016157600000000, 0.0001515400000000, 0.0001873300000000 ] - [ -0.0007538400000000, 0.0001336900000000, -0.0005527800000000 ] - [ -0.0009061900000000, 0.0004724100000000, 0.0002178900000000 ] - [ -0.0010753200000000, -0.0001525900000000, 0.0002114300000000 ] - [ -0.0002950800000000, 0.0001339200000000, -0.0003818600000000 ] - [ -0.0007951400000000, 0.0002005200000000, 0.0004642800000000 ] - [ -0.0002616100000000, -0.0001275100000000, -0.0001534200000000 ] - [ -0.0009248900000000, -0.0003933600000000, 0.0005679200000000 ] - [ 0.0000758500000000, -0.0002394900000000, -0.0000139800000000 ] - [ -0.0004104400000000, -0.0001999100000000, -0.0001448100000000 ] - [ 0.0000652500000000, -0.0002021400000000, -0.0001511500000000 ] - [ -0.0006879300000000, -0.0001983100000000, 0.0001336400000000 ] - [ 0.0000186200000000, -0.0003504400000000, 0.0000006300000000 ] - [ -0.0008467300000000, 0.0007332600000000, 0.0001454400000000 ] - [ -0.0005029800000000, 0.0002051000000000, 0.0000227400000000 ] - [ -0.0003019500000000, 0.0001097400000000, -0.0001138500000000 ] - [ -0.0003042300000000, 0.0000426700000000, -0.0002598700000000 ] - [ -0.0005921000000000, 0.0002573900000000, 0.0001450400000000 ] - [ -0.0001481000000000, 0.0003023100000000, -0.0004626100000000 ] - [ -0.0011603500000000, -0.0008875700000000, -0.0020006600000000 ] - [ -0.0003252500000000, -0.0000523100000000, 0.0001381400000000 ] - [ -0.0051084400000000, -0.0012254600000000, 0.0006534600000000 ] - [ -0.0000647000000000, -0.0001263200000000, -0.0000883200000000 ] - [ -0.0009907500000000, 0.0000354100000000, 0.0000712400000000 ] - [ -0.0002626900000000, -0.0001926400000000, -0.0001426400000000 ] - [ 0.0027843200000000, 0.0024611500000000, -0.0006377500000000 ] - [ -0.0003790200000000, -0.0006405400000000, 0.0017932300000000 ] - [ -0.0023233900000000, 0.0008823000000000, 0.0007781400000000 ] - [ 0.0002150200000000, 0.0000704400000000, -0.0003998800000000 ] - [ -0.0014721400000000, 0.0009609500000000, -0.0004846100000000 ] - [ -0.0000229500000000, -0.0001318400000000, 0.0001115700000000 ] - [ 0.0019948300000000, -0.0034092100000000, 0.0028229000000000 ] - [ 0.0000469800000000, -0.0003320500000000, -0.0000248400000000 ] - [ 0.0015544300000000, -0.0020633300000000, -0.0010149300000000 ] - [ -0.0002978500000000, 0.0003898200000000, 0.0004790600000000 ] - [ -0.0002750600000000, -0.0000668000000000, 0.0004226600000000 ] - [ 0.0001980600000000, -0.0000004100000000, -0.0001892400000000 ] - [ 0.0001314600000000, -0.0006741100000000, -0.0002325900000000 ] - [ 0.0000460000000000, -0.0001521400000000, 0.0000715800000000 ] - [ 0.0003234900000000, 0.0005858000000000, -0.0004751000000000 ] - [ 0.0000232400000000, -0.0003075000000000, 0.0001169500000000 ] - [ -0.0002160600000000, 0.0001835200000000, -0.0000410800000000 ] - [ -0.0001307900000000, 0.0002002800000000, -0.0001756800000000 ] - [ 0.0002290100000000, 0.0001034700000000, -0.0000619400000000 ] - [ -0.0000430600000000, 0.0002516900000000, 0.0000829900000000 ] - [ -0.0010974600000000, 0.0004019600000000, 0.0002857700000000 ] - [ 0.0003532300000000, -0.0000373200000000, 0.0000371900000000 ] - [ -0.0010114000000000, -0.0003509100000000, -0.0001300000000000 ] - [ -0.0000746600000000, -0.0001949800000000, -0.0001496900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0210610700000000, 0.0491041700000000, -0.0225078500000000 ] - [ 0.0000140500000000, 0.0002673500000000, 0.0000412800000000 ] - [ 0.0002669200000000, -0.0007117800000000, -0.0002397700000000 ] - [ 0.0000887000000000, -0.0002938600000000, 0.0001849400000000 ] - [ -0.0018734400000000, -0.0025507000000000, -0.0022282600000000 ] - [ -0.0000498600000000, -0.0000059900000000, 0.0000587000000000 ] - [ 0.0000279400000000, -0.0003650900000000, 0.0000436500000000 ] - [ -0.0000449700000000, -0.0003720300000000, 0.0001145800000000 ] - [ -0.0002260200000000, -0.0001157700000000, 0.0001351800000000 ] - [ 0.0001767700000000, -0.0000211300000000, 0.0001735700000000 ] - [ -0.0006510600000000, 0.0001944000000000, -0.0000712200000000 ] - [ 0.0001537000000000, -0.0001165800000000, -0.0002006200000000 ] - [ 0.0004295800000000, 0.0004325400000000, -0.0003791300000000 ] - [ 0.0001173400000000, 0.0006171200000000, -0.0006834900000000 ] - [ -0.0012103800000000, 0.0004148700000000, -0.0000531200000000 ] - [ -0.0000926900000000, 0.0002672100000000, 0.0003063400000000 ] - [ 0.0320062900000000, 0.0412629000000000, 0.0368460200000000 ] - [ 0.0003015600000000, 0.0001561600000000, -0.0009845200000000 ] - [ -0.0001235300000000, 0.0000819500000000, 0.0005460400000000 ] - [ 0.0038289500000000, 0.0004493800000000, 0.0036072700000000 ] - [ 0.0007054000000000, 0.0005576600000000, -0.0003857800000000 ] - [ 0.0000704900000000, 0.0003920500000000, 0.0002711200000000 ] - [ -0.0007027700000000, 0.0004405900000000, 0.0009776900000000 ] - [ 0.0000825900000000, 0.0006691800000000, -0.0003878900000000 ] - [ 0.0001736800000000, -0.0002107000000000, -0.0002146500000000 ] - [ 0.0000763000000000, 0.0000856400000000, -0.0001200700000000 ] - [ 0.0000285400000000, -0.0002467900000000, 0.0002627800000000 ] - [ 0.0000162400000000, -0.0000520600000000, 0.0000391700000000 ] - [ 0.0226468100000000, 0.0300396800000000, -0.0291142500000000 ] - [ -0.0002238800000000, -0.0003084100000000, 0.0001075300000000 ] - [ 0.0002876500000000, 0.0001693900000000, -0.0002570300000000 ] - [ -0.0024572300000000, 0.0031257000000000, -0.0005424200000000 ] - [ 0.0002688500000000, -0.0004117100000000, 0.0000573000000000 ] - [ 0.0000855700000000, -0.0002683700000000, 0.0003649200000000 ] - [ 0.0000340300000000, -0.0003060700000000, -0.0003422700000000 ] - [ 0.0000282200000000, -0.0001294100000000, 0.0000077300000000 ] - [ -0.0006381900000000, 0.0034848300000000, -0.0030808900000000 ] - [ -0.0002999800000000, 0.0000774900000000, -0.0000672600000000 ] - [ -0.0254559700000000, 0.0247128200000000, 0.0163061900000000 ] - [ 0.0002956800000000, 0.0001352200000000, -0.0000684800000000 ] - [ 0.0000312100000000, -0.0002163300000000, 0.0000819400000000 ] - [ 0.0000288100000000, -0.0000712100000000, 0.0000042300000000 ] - [ 0.0001514200000000, -0.0000461600000000, 0.0001633700000000 ] - [ 0.0000172000000000, -0.0000204900000000, -0.0000544400000000 ] - [ -0.0001573000000000, -0.0002578500000000, 0.0001971700000000 ] - [ -0.0000418500000000, -0.0003442300000000, -0.0002492900000000 ] - [ -0.0003868800000000, 0.0007156100000000, 0.0001520700000000 ] - [ 0.0001019600000000, 0.0002639900000000, -0.0000742200000000 ] - [ -0.0000144200000000, 0.0000112900000000, 0.0005547900000000 ] - [ -0.0000017600000000, -0.0017715800000000, -0.0011425600000000 ] - [ -0.0018541300000000, -0.0018706000000000, -0.0005210900000000 ] - [ 0.0000109100000000, 0.0000128600000000, -0.0001891800000000 ] - [ 0.0002181500000000, -0.0005286400000000, -0.0003492000000000 ] - [ 0.0001592400000000, -0.0002730300000000, -0.0002376400000000 ] - [ -0.0001457700000000, -0.0014557300000000, 0.0000535000000000 ] - [ -0.0001591400000000, -0.0002734900000000, 0.0002571400000000 ] - [ -0.0004772300000000, -0.0005263400000000, -0.0002760500000000 ] - [ -0.0002142900000000, -0.0003586900000000, -0.0002472900000000 ] - [ 0.0002825300000000, -0.0004298200000000, 0.0003086300000000 ] - [ 0.0003543900000000, -0.0009368200000000, 0.0001914000000000 ] - [ 0.0006133200000000, -0.0002173400000000, 0.0005836600000000 ] - [ 0.0003036300000000, 0.0002262100000000, 0.0002052500000000 ] - [ -0.0002979500000000, 0.0002819000000000, -0.0003486900000000 ] - [ -0.0002361300000000, 0.0001746300000000, -0.0001313100000000 ] - [ 0.0004004400000000, 0.0007408900000000, 0.0000430900000000 ] - [ 0.0001988400000000, 0.0003413800000000, -0.0002467600000000 ] - [ -0.0000232600000000, 0.0003819000000000, 0.0001117500000000 ] - [ 0.0000465100000000, 0.0004929600000000, 0.0004209800000000 ] - [ -0.0003863900000000, -0.0006266000000000, 0.0002818400000000 ] - [ -0.0001250500000000, -0.0004281700000000, 0.0001560200000000 ] - [ 0.0001631500000000, -0.0005405000000000, -0.0002317500000000 ] - [ 0.0002101200000000, -0.0005176800000000, -0.0000925200000000 ] - [ 0.0000133700000000, 0.0002194600000000, 0.0002721200000000 ] - [ 0.0000888200000000, 0.0002245600000000, -0.0000318900000000 ] - [ 0.0002898100000000, 0.0009344600000000, 0.0003319700000000 ] - [ 0.0000053900000000, 0.0001946300000000, -0.0001960000000000 ] - [ -0.0001415800000000, -0.0004526200000000, 0.0002104000000000 ] - [ 0.0000050100000000, -0.0001451300000000, -0.0001134900000000 ] - [ 0.0000327800000000, -0.0003255700000000, -0.0000108900000000 ] - [ 0.0000428300000000, -0.0001317900000000, 0.0000989600000000 ] - [ -0.0000014500000000, 0.0004796700000000, 0.0001541500000000 ] - [ -0.0004854100000000, 0.0009380900000000, 0.0000413800000000 ] - [ 0.0001595700000000, 0.0012249800000000, -0.0003712100000000 ] - [ -0.0000311500000000, 0.0003703700000000, -0.0002516900000000 ] - [ 0.0062069300000000, 0.0084195200000000, 0.0113882600000000 ] - [ -0.0002256400000000, -0.0003627200000000, -0.0004405200000000 ] - [ 0.0112019400000000, 0.0080583500000000, 0.0071016300000000 ] - [ 0.0002194600000000, -0.0000836300000000, -0.0000243900000000 ] - [ -0.0177995600000000, -0.1532611100000000, -0.0094696600000000 ] - [ 0.0001214600000000, 0.0000157700000000, 0.0001648800000000 ] - [ -0.0071255800000000, -0.0168576000000000, -0.0067687100000000 ] - [ 0.0000759700000000, -0.0006003200000000, -0.0000177800000000 ] - [ -0.0008516500000000, 0.0007997500000000, 0.0000280800000000 ] - [ -0.0002502100000000, 0.0003572700000000, -0.0002212000000000 ] - [ 0.0001856300000000, 0.0006709500000000, 0.0006867200000000 ] - [ 0.0002949900000000, 0.0006711100000000, -0.0006012800000000 ] - [ 0.0000530100000000, -0.0018667400000000, 0.0000681700000000 ] - [ -0.0001058700000000, -0.0001896200000000, 0.0005634800000000 ] - [ 0.0002174700000000, -0.0008613500000000, -0.0009223900000000 ] - [ -0.0001068200000000, -0.0003695900000000, -0.0001365300000000 ] - [ 0.0001132100000000, 0.0005269600000000, -0.0001579000000000 ] - [ 0.0002314000000000, 0.0002556600000000, -0.0001257000000000 ] - [ 0.0003938100000000, 0.0008680000000000, -0.0004267100000000 ] - [ -0.0002781700000000, 0.0002399000000000, 0.0002438700000000 ] - [ 0.0002094100000000, 0.0004076800000000, -0.0000572400000000 ] - [ 0.0002135900000000, 0.0001195100000000, -0.0000763600000000 ] - [ -0.0002185700000000, 0.0005805400000000, -0.0003478300000000 ] - [ -0.0003617600000000, 0.0002206000000000, 0.0000986800000000 ] - [ -0.0007598900000000, 0.0002195900000000, -0.0004577800000000 ] - [ -0.0002131300000000, 0.0000886000000000, 0.0001600100000000 ] - [ 0.0000494400000000, -0.0000324600000000, -0.0002548700000000 ] - [ 0.0001273400000000, -0.0000328700000000, 0.0001523600000000 ] - [ 0.0001019900000000, 0.0000051800000000, 0.0000955300000000 ] - [ -0.0000971700000000, 0.0002847900000000, -0.0004217600000000 ] - [ 0.0008589600000000, 0.0015009500000000, 0.0019731400000000 ] - [ 0.0001549300000000, 0.0000140600000000, -0.0001941700000000 ] - [ 0.0034966500000000, -0.0025344500000000, -0.0032372100000000 ] - [ -0.0001720300000000, -0.0001396300000000, 0.0002166900000000 ] - [ -0.0007538600000000, -0.0006151100000000, 0.0005156500000000 ] - [ 0.0001738100000000, -0.0002143500000000, 0.0000343200000000 ] - [ -0.0025464800000000, -0.0022517400000000, 0.0008531600000000 ] - [ -0.0006610100000000, -0.0016021100000000, 0.0018750700000000 ] - [ 0.0018723200000000, -0.0013108000000000, 0.0007137800000000 ] - [ 0.0004740600000000, -0.0002241100000000, -0.0003899100000000 ] - [ -0.0009309100000000, 0.0013452100000000, -0.0002437100000000 ] - [ 0.0000520700000000, -0.0002945100000000, 0.0000690300000000 ] - [ 0.0012145800000000, 0.0051258100000000, -0.0009739500000000 ] - [ -0.0000492900000000, -0.0003255000000000, 0.0000632700000000 ] - [ -0.0005967500000000, 0.0025135300000000, -0.0004102000000000 ] - [ -0.0002317000000000, 0.0004005200000000, 0.0002940800000000 ] - [ 0.0002444800000000, 0.0004560700000000, -0.0002584200000000 ] - [ 0.0004217300000000, 0.0003311000000000, 0.0007722700000000 ] - [ 0.0000954700000000, 0.0007862100000000, 0.0001313400000000 ] - [ 0.0000050000000000, -0.0000131400000000, 0.0000345100000000 ] - [ -0.0000741000000000, 0.0007615700000000, -0.0001379500000000 ] - [ 0.0000279400000000, 0.0001140300000000, -0.0000646900000000 ] - [ -0.0000138800000000, 0.0003605600000000, -0.0000745300000000 ] - [ 0.0000075300000000, 0.0004098300000000, -0.0000285600000000 ] - [ -0.0000426900000000, 0.0007695400000000, -0.0000521600000000 ] - [ -0.0000233800000000, 0.0003313400000000, 0.0001087700000000 ] - [ -0.0008326300000000, 0.0007079200000000, 0.0005025600000000 ] - [ -0.0000927200000000, -0.0002869700000000, -0.0000769800000000 ] - [ 0.0004270100000000, -0.0003071100000000, 0.0001913300000000 ] - [ 0.0000228000000000, -0.0002157400000000, -0.0000612900000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0218683500000000, -0.0495575300000000, 0.0233508000000000 ] - [ -0.0000139800000000, -0.0000892600000000, -0.0000416000000000 ] - [ -0.0002726500000000, 0.0005387100000000, 0.0002415700000000 ] - [ -0.0000893300000000, 0.0001173800000000, -0.0001839700000000 ] - [ 0.0018714600000000, 0.0025186400000000, 0.0022284700000000 ] - [ 0.0000483500000000, -0.0000315800000000, -0.0000566800000000 ] - [ -0.0000301000000000, 0.0004034200000000, -0.0000431000000000 ] - [ 0.0000438700000000, 0.0004104200000000, -0.0001151400000000 ] - [ 0.0000244600000000, 0.0000393700000000, 0.0002590400000000 ] - [ -0.0003715300000000, -0.0000540500000000, 0.0002211200000000 ] - [ 0.0008614100000000, -0.0002658500000000, -0.0003237000000000 ] - [ 0.0000467500000000, 0.0000410400000000, -0.0001940300000000 ] - [ -0.0002276700000000, -0.0003590700000000, -0.0000188500000000 ] - [ 0.0000846300000000, -0.0005388200000000, 0.0002903000000000 ] - [ 0.0010080500000000, -0.0003400200000000, 0.0004500800000000 ] - [ -0.0001082000000000, -0.0001902300000000, 0.0000887300000000 ] - [ -0.0332523600000000, -0.0421489000000000, -0.0383083300000000 ] - [ -0.0005680700000000, -0.0006058600000000, 0.0005781900000000 ] - [ 0.0003882900000000, -0.0005317300000000, -0.0001403000000000 ] - [ -0.0035573500000000, -0.0009019600000000, -0.0031946200000000 ] - [ -0.0004401900000000, -0.0001050100000000, 0.0007909800000000 ] - [ 0.0001946900000000, 0.0000589000000000, 0.0001347800000000 ] - [ 0.0004371300000000, 0.0000119200000000, -0.0013907100000000 ] - [ -0.0003456500000000, -0.0002161100000000, -0.0000147700000000 ] - [ 0.0000438800000000, 0.0006976100000000, -0.0001744800000000 ] - [ 0.0001444200000000, 0.0004008500000000, -0.0002682900000000 ] - [ -0.0002519500000000, 0.0007344400000000, 0.0001233400000000 ] - [ -0.0002401400000000, 0.0005412500000000, 0.0003493800000000 ] - [ -0.0220031900000000, -0.0299807300000000, 0.0286962000000000 ] - [ 0.0000000300000000, -0.0001781500000000, 0.0002799400000000 ] - [ -0.0000674500000000, -0.0006564000000000, -0.0001298100000000 ] - [ 0.0026782600000000, -0.0036249500000000, 0.0001500400000000 ] - [ -0.0001283400000000, 0.0004116300000000, 0.0002389300000000 ] - [ 0.0000541000000000, 0.0002676300000000, -0.0000699900000000 ] - [ -0.0001748900000000, 0.0003060300000000, 0.0000475000000000 ] - [ -0.0001693800000000, 0.0001293400000000, -0.0003018500000000 ] - [ 0.0004897800000000, -0.0034966000000000, 0.0027848900000000 ] - [ 0.0001598500000000, -0.0000764200000000, -0.0002275700000000 ] - [ 0.0248920100000000, -0.0243118400000000, -0.0153521100000000 ] - [ -0.0001566200000000, -0.0001332100000000, 0.0003667000000000 ] - [ -0.0000311300000000, 0.0003952700000000, -0.0000826500000000 ] - [ -0.0000279700000000, 0.0002493600000000, -0.0000037300000000 ] - [ -0.0001497800000000, -0.0001333200000000, -0.0001629700000000 ] - [ -0.0000198100000000, -0.0001568500000000, 0.0000533100000000 ] - [ 0.0001585800000000, 0.0002233700000000, -0.0001970700000000 ] - [ 0.0000396900000000, 0.0003066600000000, 0.0002468500000000 ] - [ 0.0003886500000000, -0.0006796400000000, -0.0001531400000000 ] - [ -0.0001030300000000, -0.0002280000000000, 0.0000740000000000 ] - [ -0.0001865300000000, -0.0000884700000000, -0.0001626100000000 ] - [ -0.0001949400000000, 0.0017276800000000, 0.0015655500000000 ] - [ 0.0020887600000000, 0.0018277200000000, 0.0001335400000000 ] - [ 0.0001899000000000, -0.0000896400000000, -0.0002061500000000 ] - [ -0.0000190100000000, 0.0006054200000000, -0.0000450700000000 ] - [ 0.0000409100000000, 0.0003506300000000, -0.0001582900000000 ] - [ -0.0000542800000000, 0.0015365000000000, 0.0003407300000000 ] - [ -0.0000409800000000, 0.0003523300000000, 0.0001375900000000 ] - [ 0.0002139200000000, 0.0000787200000000, -0.0001276100000000 ] - [ -0.0000530600000000, -0.0000925500000000, -0.0001590500000000 ] - [ -0.0000174000000000, -0.0000197800000000, 0.0000965500000000 ] - [ -0.0000886300000000, 0.0004906800000000, 0.0002148600000000 ] - [ -0.0003475500000000, 0.0006655500000000, -0.0001816600000000 ] - [ -0.0000385900000000, 0.0002251800000000, 0.0002027300000000 ] - [ 0.0000331100000000, 0.0001666300000000, -0.0000549900000000 ] - [ -0.0000292100000000, 0.0002759500000000, -0.0002741600000000 ] - [ -0.0001769700000000, -0.0002555900000000, -0.0004315300000000 ] - [ 0.0000209600000000, 0.0001434500000000, -0.0001411500000000 ] - [ -0.0002006400000000, 0.0001050700000000, 0.0002764800000000 ] - [ -0.0002667400000000, -0.0000071500000000, -0.0000315100000000 ] - [ 0.0001660200000000, 0.0001431100000000, 0.0001060700000000 ] - [ -0.0000965400000000, -0.0000574100000000, 0.0002313100000000 ] - [ 0.0000578300000000, 0.0000533300000000, -0.0001573200000000 ] - [ 0.0000117300000000, 0.0000326600000000, -0.0002961700000000 ] - [ 0.0001255300000000, -0.0002199600000000, 0.0000217900000000 ] - [ 0.0000522400000000, -0.0002253800000000, 0.0003265700000000 ] - [ -0.0004246800000000, -0.0009380000000000, -0.0006252100000000 ] - [ -0.0001444700000000, -0.0001969900000000, -0.0000994500000000 ] - [ 0.0000021500000000, 0.0004565600000000, -0.0005072800000000 ] - [ -0.0001461800000000, 0.0001465600000000, -0.0001812700000000 ] - [ 0.0001073900000000, 0.0003280900000000, 0.0003059000000000 ] - [ 0.0000969800000000, 0.0001353800000000, 0.0001973800000000 ] - [ -0.0000404200000000, -0.0003772900000000, 0.0000574400000000 ] - [ 0.0004421200000000, -0.0008344600000000, 0.0001732200000000 ] - [ -0.0001136600000000, -0.0011243900000000, 0.0001570500000000 ] - [ 0.0000723800000000, -0.0002681700000000, 0.0000410100000000 ] - [ -0.0062326800000000, -0.0084943200000000, -0.0115579600000000 ] - [ 0.0002683600000000, 0.0002626400000000, 0.0002313600000000 ] - [ -0.0112103900000000, -0.0081278700000000, -0.0069533600000000 ] - [ -0.0002616300000000, -0.0000153900000000, 0.0002361900000000 ] - [ 0.0181309000000000, 0.1529664500000000, 0.0096309100000000 ] - [ 0.0001561100000000, -0.0002696100000000, -0.0003160400000000 ] - [ 0.0068673600000000, 0.0166420300000000, 0.0069379700000000 ] - [ -0.0003521200000000, 0.0003492400000000, 0.0001679100000000 ] - [ 0.0005790400000000, -0.0005488600000000, 0.0001241900000000 ] - [ -0.0000258900000000, -0.0001037300000000, 0.0003717800000000 ] - [ 0.0000878900000000, -0.0004181700000000, -0.0008415000000000 ] - [ -0.0000150300000000, -0.0004187300000000, 0.0004544500000000 ] - [ -0.0001007800000000, 0.0019693300000000, 0.0001402000000000 ] - [ 0.0000622500000000, 0.0002964000000000, -0.0003506200000000 ] - [ -0.0001755500000000, 0.0009681100000000, 0.0007089700000000 ] - [ 0.0001488000000000, 0.0004725700000000, -0.0000746200000000 ] - [ -0.0000736300000000, -0.0006315200000000, -0.0000520500000000 ] - [ -0.0001883300000000, -0.0003583200000000, -0.0000855000000000 ] - [ -0.0004409900000000, -0.0009739200000000, 0.0006421200000000 ] - [ 0.0002339000000000, -0.0003413600000000, -0.0000318700000000 ] - [ 0.0000651700000000, -0.0006637800000000, -0.0000926400000000 ] - [ 0.0000622000000000, -0.0003728300000000, -0.0000741200000000 ] - [ -0.0000571800000000, -0.0008384700000000, 0.0005014100000000 ] - [ 0.0000847400000000, -0.0004726800000000, 0.0000506100000000 ] - [ 0.0004807200000000, 0.0000395700000000, 0.0006139100000000 ] - [ -0.0000622900000000, 0.0001670700000000, -0.0000100100000000 ] - [ 0.0002233400000000, 0.0002866300000000, 0.0001043300000000 ] - [ 0.0001474500000000, 0.0002888100000000, -0.0003037400000000 ] - [ -0.0001319900000000, 0.0002777200000000, -0.0001398600000000 ] - [ 0.0000674400000000, -0.0000014800000000, 0.0003766300000000 ] - [ -0.0008272500000000, -0.0012131200000000, -0.0019170200000000 ] - [ -0.0001278000000000, 0.0002687900000000, 0.0002391600000000 ] - [ -0.0034732200000000, 0.0022587000000000, 0.0032866900000000 ] - [ 0.0002007400000000, -0.0001432500000000, -0.0001731800000000 ] - [ 0.0007242400000000, 0.0003321000000000, -0.0005588400000000 ] - [ -0.0002039600000000, -0.0000683800000000, -0.0000792200000000 ] - [ 0.0024621400000000, 0.0026674700000000, -0.0009692000000000 ] - [ 0.0005742600000000, 0.0020219100000000, -0.0020028700000000 ] - [ -0.0017920000000000, 0.0017280800000000, -0.0005936400000000 ] - [ -0.0003861200000000, 0.0006364000000000, 0.0005092100000000 ] - [ 0.0010063300000000, -0.0017515400000000, 0.0003580000000000 ] - [ 0.0000359500000000, -0.0001178300000000, 0.0000495900000000 ] - [ -0.0013195000000000, -0.0055988800000000, 0.0008650200000000 ] - [ -0.0000390000000000, -0.0000868100000000, -0.0001831000000000 ] - [ 0.0005715600000000, -0.0022300600000000, 0.0003627900000000 ] - [ 0.0002039700000000, -0.0001184400000000, -0.0003423800000000 ] - [ -0.0002167000000000, -0.0001744000000000, 0.0003062200000000 ] - [ -0.0003944400000000, -0.0000471500000000, -0.0007281700000000 ] - [ -0.0000640800000000, -0.0010755900000000, -0.0000897900000000 ] - [ 0.0000239100000000, -0.0002692300000000, 0.0000092600000000 ] - [ 0.0000436400000000, -0.0010492400000000, 0.0000979000000000 ] - [ -0.0000580300000000, -0.0003969900000000, 0.0000199800000000 ] - [ -0.0000745400000000, 0.0000522700000000, -0.0000443500000000 ] - [ -0.0000958600000000, 0.0000034600000000, -0.0000907700000000 ] - [ 0.0001293800000000, -0.0003574100000000, 0.0001708300000000 ] - [ 0.0001110100000000, 0.0000812300000000, 0.0000100700000000 ] - [ 0.0009314700000000, -0.0011286300000000, -0.0003854500000000 ] - [ 0.0001815000000000, -0.0001241100000000, 0.0001949900000000 ] - [ -0.0005207000000000, -0.0001021900000000, -0.0003134200000000 ] - [ -0.0001114200000000, -0.0001958300000000, -0.0000582900000000 ]- atom: 89 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0128640100000000, -0.0196992700000000, 0.0203706700000000 ] - [ -0.0000549500000000, 0.0000516000000000, -0.0003380900000000 ] - [ 0.0001588900000000, -0.0006776800000000, 0.0001748000000000 ] - [ -0.0001492400000000, 0.0001548000000000, -0.0001646800000000 ] - [ -0.0031929500000000, -0.0002664900000000, 0.0036326400000000 ] - [ 0.0001701300000000, -0.0000259200000000, -0.0005759100000000 ] - [ 0.0001308000000000, 0.0000403300000000, 0.0000403600000000 ] - [ -0.0000255500000000, -0.0000902700000000, 0.0000477400000000 ] - [ -0.0001293500000000, -0.0000499300000000, 0.0000885300000000 ] - [ -0.0009394500000000, -0.0000263500000000, 0.0004130400000000 ] - [ -0.0002195800000000, -0.0001313400000000, 0.0010998900000000 ] - [ 0.0000830100000000, -0.0000166500000000, -0.0003553900000000 ] - [ 0.0005071400000000, 0.0003019000000000, -0.0001882900000000 ] - [ -0.0006383400000000, 0.0001637800000000, -0.0003295200000000 ] - [ 0.0004305400000000, 0.0001415800000000, 0.0004513900000000 ] - [ -0.0004397000000000, -0.0000200200000000, 0.0000609600000000 ] - [ 0.0231362800000000, 0.0254783500000000, 0.0406575200000000 ] - [ 0.0001629000000000, 0.0000029800000000, -0.0012152300000000 ] - [ 0.0002808700000000, -0.0003550200000000, -0.0002753100000000 ] - [ -0.0011057000000000, -0.0000058300000000, -0.0007916600000000 ] - [ -0.0002737300000000, 0.0001403300000000, 0.0012312200000000 ] - [ 0.0000877700000000, 0.0005944500000000, -0.0001187700000000 ] - [ -0.0000556800000000, 0.0012617800000000, -0.0004278100000000 ] - [ -0.0000319600000000, -0.0005862600000000, -0.0006634700000000 ] - [ 0.0003755900000000, 0.0004229600000000, 0.0000608000000000 ] - [ 0.0001482000000000, 0.0003465300000000, -0.0003511500000000 ] - [ 0.0000289300000000, 0.0001699300000000, 0.0000823400000000 ] - [ -0.0000007700000000, 0.0000105500000000, 0.0000528600000000 ] - [ -0.0289774500000000, -0.0291175700000000, 0.0521784500000000 ] - [ -0.0000958500000000, -0.0003233400000000, -0.0001362000000000 ] - [ 0.0003321400000000, -0.0003399400000000, -0.0003892000000000 ] - [ -0.0026523500000000, -0.0017909300000000, -0.0024884500000000 ] - [ 0.0001612300000000, -0.0002226600000000, 0.0004421100000000 ] - [ 0.0000142300000000, 0.0002281300000000, -0.0001307600000000 ] - [ 0.0002512000000000, -0.0001546700000000, -0.0001510500000000 ] - [ 0.0000818400000000, 0.0000993600000000, -0.0001419400000000 ] - [ -0.0001375200000000, -0.0024116300000000, 0.0034764400000000 ] - [ 0.0000567400000000, 0.0000995400000000, -0.0006889900000000 ] - [ -0.0369036400000000, 0.0228697300000000, 0.0257604900000000 ] - [ 0.0003675700000000, -0.0001083300000000, -0.0006013500000000 ] - [ 0.0001745000000000, -0.0000097200000000, 0.0003727800000000 ] - [ -0.0001096500000000, 0.0001115100000000, -0.0001534000000000 ] - [ -0.0000897400000000, 0.0002286000000000, 0.0001362200000000 ] - [ -0.0000033700000000, -0.0001688400000000, -0.0000228900000000 ] - [ -0.0001778400000000, -0.0000214300000000, 0.0004166800000000 ] - [ -0.0000237600000000, -0.0000576100000000, -0.0002384500000000 ] - [ -0.0002366700000000, 0.0002164000000000, 0.0003802200000000 ] - [ -0.0000467300000000, -0.0000156000000000, -0.0000215900000000 ] - [ -0.0000681100000000, 0.0002355300000000, -0.0002305900000000 ] - [ -0.0000137000000000, -0.0030168900000000, -0.0015758800000000 ] - [ 0.0040024000000000, 0.0037552200000000, 0.0008866500000000 ] - [ 0.0000534100000000, -0.0001638000000000, -0.0005292500000000 ] - [ 0.0000463200000000, 0.0001175200000000, -0.0001365000000000 ] - [ 0.0001938600000000, 0.0000849700000000, -0.0002623300000000 ] - [ -0.0000725500000000, 0.0004191100000000, 0.0005239400000000 ] - [ -0.0000467800000000, -0.0000329100000000, 0.0000444100000000 ] - [ 0.0000510700000000, -0.0000355700000000, 0.0002534700000000 ] - [ -0.0001843200000000, -0.0002369800000000, -0.0003257900000000 ] - [ 0.0000235900000000, -0.0001080300000000, 0.0000871900000000 ] - [ 0.0002445800000000, -0.0009639900000000, 0.0003122000000000 ] - [ 0.0001842300000000, -0.0006006000000000, 0.0014777800000000 ] - [ 0.0003757100000000, 0.0002303200000000, -0.0000533400000000 ] - [ -0.0002459600000000, 0.0001497000000000, 0.0000300200000000 ] - [ -0.0000333700000000, 0.0002537000000000, -0.0003392400000000 ] - [ 0.0005312200000000, 0.0006062600000000, 0.0002262000000000 ] - [ 0.0001015900000000, 0.0002180100000000, -0.0002794100000000 ] - [ 0.0001791000000000, 0.0001605600000000, 0.0001163700000000 ] - [ -0.0002673100000000, 0.0003651500000000, 0.0001363100000000 ] - [ -0.0003568700000000, -0.0005078100000000, 0.0006841500000000 ] - [ -0.0001165800000000, -0.0002190500000000, 0.0000729600000000 ] - [ 0.0000951200000000, -0.0002400800000000, -0.0003113900000000 ] - [ 0.0000848200000000, -0.0002792400000000, 0.0001566400000000 ] - [ 0.0001550600000000, 0.0001589800000000, 0.0002633000000000 ] - [ 0.0000663000000000, -0.0000263100000000, 0.0001523900000000 ] - [ -0.0003025500000000, 0.0003093100000000, 0.0003139600000000 ] - [ -0.0000100400000000, 0.0000434100000000, -0.0002273000000000 ] - [ -0.0000597900000000, -0.0002453700000000, 0.0002650500000000 ] - [ -0.0001053800000000, 0.0000717900000000, -0.0003231800000000 ] - [ 0.0000098800000000, 0.0000824900000000, 0.0004432100000000 ] - [ 0.0000601100000000, -0.0000234800000000, 0.0000462800000000 ] - [ -0.0002233100000000, 0.0001845700000000, 0.0001017100000000 ] - [ -0.0002421200000000, 0.0000610000000000, 0.0002787900000000 ] - [ -0.0005965000000000, 0.0000425900000000, -0.0001713800000000 ] - [ 0.0001324800000000, -0.0000901100000000, -0.0000304100000000 ] - [ 0.0100999800000000, 0.0131880000000000, 0.0097063800000000 ] - [ -0.0002516000000000, -0.0003376800000000, 0.0005491700000000 ] - [ -0.0081994200000000, -0.0079527200000000, -0.0159658900000000 ] - [ 0.0000320200000000, 0.0001794000000000, 0.0006340500000000 ] - [ 0.0238328200000000, -0.0055811500000000, -0.1433939100000000 ] - [ -0.0000816600000000, 0.0001089600000000, 0.0007678600000000 ] - [ 0.0091094500000000, 0.0046201500000000, 0.0059132700000000 ] - [ -0.0004805300000000, 0.0000209000000000, 0.0006950900000000 ] - [ -0.0008200100000000, 0.0002677200000000, -0.0011264400000000 ] - [ 0.0000282000000000, -0.0001292400000000, 0.0003287200000000 ] - [ 0.0002822500000000, 0.0006756400000000, 0.0002775300000000 ] - [ 0.0005171900000000, -0.0005986300000000, 0.0003435700000000 ] - [ 0.0003404300000000, -0.0003563800000000, 0.0003383000000000 ] - [ -0.0002025600000000, 0.0002133500000000, 0.0005317800000000 ] - [ -0.0002449600000000, -0.0008436200000000, -0.0003892200000000 ] - [ 0.0001452200000000, 0.0001723800000000, -0.0000745400000000 ] - [ 0.0003420800000000, -0.0003042400000000, -0.0009620700000000 ] - [ 0.0000429900000000, -0.0000264200000000, 0.0001133500000000 ] - [ 0.0001629800000000, 0.0002224300000000, -0.0010374600000000 ] - [ 0.0000157900000000, -0.0000784800000000, 0.0003405600000000 ] - [ 0.0000357300000000, -0.0001293200000000, -0.0010017300000000 ] - [ 0.0001991300000000, -0.0001489000000000, 0.0001215100000000 ] - [ -0.0003603300000000, 0.0002599300000000, -0.0007385600000000 ] - [ -0.0000207300000000, -0.0002089900000000, 0.0002617200000000 ] - [ -0.0004330300000000, -0.0002254000000000, -0.0014041700000000 ] - [ -0.0001797100000000, 0.0002304100000000, 0.0002131800000000 ] - [ 0.0002004000000000, -0.0000950500000000, -0.0000930600000000 ] - [ 0.0000591400000000, 0.0002789600000000, -0.0001313300000000 ] - [ 0.0001949300000000, 0.0002321700000000, -0.0001007300000000 ] - [ 0.0001289000000000, -0.0000148200000000, 0.0002123000000000 ] - [ 0.0003740300000000, 0.0005843500000000, 0.0009967300000000 ] - [ -0.0002304700000000, 0.0000243200000000, 0.0000930800000000 ] - [ 0.0012266500000000, -0.0027768300000000, -0.0035361700000000 ] - [ -0.0000542000000000, -0.0000736400000000, 0.0003837800000000 ] - [ 0.0003703000000000, 0.0001630600000000, -0.0004632000000000 ] - [ 0.0000343800000000, -0.0001144700000000, 0.0002269300000000 ] - [ 0.0006636400000000, 0.0009587500000000, 0.0039660700000000 ] - [ -0.0016206500000000, -0.0008216500000000, 0.0025210100000000 ] - [ -0.0017228100000000, 0.0011806700000000, -0.0003489000000000 ] - [ 0.0003210400000000, -0.0000705200000000, 0.0008319000000000 ] - [ 0.0013227400000000, -0.0013160800000000, 0.0006250900000000 ] - [ -0.0000148900000000, -0.0001523200000000, 0.0003153100000000 ] - [ -0.0015342500000000, 0.0014255000000000, -0.0029893900000000 ] - [ -0.0000846900000000, -0.0002712100000000, 0.0003278700000000 ] - [ 0.0011775100000000, -0.0017326600000000, -0.0011185300000000 ] - [ -0.0003464700000000, 0.0003991700000000, 0.0005439900000000 ] - [ -0.0002194500000000, -0.0000660100000000, 0.0005317700000000 ] - [ 0.0003738900000000, 0.0007660100000000, -0.0001895400000000 ] - [ 0.0003633600000000, -0.0009212300000000, -0.0006617700000000 ] - [ 0.0000202400000000, -0.0000879300000000, 0.0001973700000000 ] - [ 0.0002365000000000, 0.0007184700000000, -0.0005890800000000 ] - [ -0.0000438800000000, -0.0002636400000000, 0.0002191200000000 ] - [ -0.0000934200000000, 0.0001912600000000, 0.0000523400000000 ] - [ 0.0000256200000000, 0.0001638300000000, -0.0000507200000000 ] - [ 0.0001866000000000, 0.0005406400000000, -0.0000825800000000 ] - [ -0.0000628900000000, 0.0002425100000000, 0.0001950300000000 ] - [ -0.0013852700000000, 0.0008742500000000, 0.0005458000000000 ] - [ 0.0001631300000000, -0.0002997300000000, 0.0003395000000000 ] - [ -0.0009225700000000, 0.0000806400000000, -0.0006968700000000 ] - [ 0.0000425600000000, -0.0001866200000000, 0.0001393100000000 ]- atom: 89 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ -0.0125201900000000, 0.0196289700000000, -0.0203031900000000 ] - [ 0.0000529800000000, 0.0001250500000000, 0.0003363200000000 ] - [ -0.0001609000000000, 0.0005074700000000, -0.0001741900000000 ] - [ 0.0001455800000000, -0.0003310200000000, 0.0001634400000000 ] - [ 0.0031877800000000, 0.0002149100000000, -0.0036551400000000 ] - [ -0.0001704700000000, -0.0000110700000000, 0.0005769400000000 ] - [ -0.0001318700000000, -0.0000023000000000, -0.0000406400000000 ] - [ 0.0000243000000000, 0.0001291500000000, -0.0000484600000000 ] - [ -0.0000707200000000, -0.0000284400000000, 0.0003037900000000 ] - [ 0.0007436500000000, -0.0000492000000000, -0.0000188200000000 ] - [ 0.0004210500000000, 0.0000596700000000, -0.0014931300000000 ] - [ 0.0001164400000000, -0.0000600700000000, -0.0000392100000000 ] - [ -0.0003067500000000, -0.0002260900000000, -0.0002069100000000 ] - [ 0.0008416300000000, -0.0000836100000000, -0.0000651900000000 ] - [ -0.0006312200000000, -0.0000641500000000, -0.0000571500000000 ] - [ 0.0002389000000000, 0.0000982700000000, 0.0003345400000000 ] - [ -0.0239892700000000, -0.0263936600000000, -0.0411856200000000 ] - [ -0.0004291400000000, -0.0004528100000000, 0.0008089600000000 ] - [ -0.0000171600000000, -0.0000941800000000, 0.0006815600000000 ] - [ 0.0013955600000000, -0.0004413100000000, 0.0012215500000000 ] - [ 0.0005345800000000, 0.0003108500000000, -0.0008290300000000 ] - [ 0.0001761200000000, -0.0001435700000000, 0.0005252500000000 ] - [ -0.0002078900000000, -0.0008076200000000, 0.0000142400000000 ] - [ -0.0002309900000000, 0.0010400800000000, 0.0002593100000000 ] - [ -0.0001564200000000, 0.0000645600000000, -0.0004513600000000 ] - [ 0.0000706800000000, 0.0001390100000000, -0.0000373200000000 ] - [ -0.0002541800000000, 0.0003191100000000, 0.0003053300000000 ] - [ -0.0002223800000000, 0.0004786400000000, 0.0003369900000000 ] - [ 0.0298599900000000, 0.0299441800000000, -0.0527035400000000 ] - [ -0.0001274500000000, -0.0001621300000000, 0.0005243300000000 ] - [ -0.0001114500000000, -0.0001479300000000, 0.0000007400000000 ] - [ 0.0028722700000000, 0.0013049700000000, 0.0021043900000000 ] - [ -0.0000207900000000, 0.0002224400000000, -0.0001467400000000 ] - [ 0.0001254900000000, -0.0002273800000000, 0.0004246300000000 ] - [ -0.0003947500000000, 0.0001560000000000, -0.0001437200000000 ] - [ -0.0002233900000000, -0.0001013700000000, -0.0001530900000000 ] - [ -0.0000110400000000, 0.0024165000000000, -0.0037861000000000 ] - [ -0.0001980800000000, -0.0000966300000000, 0.0003926000000000 ] - [ 0.0359176300000000, -0.0217472200000000, -0.0247352500000000 ] - [ -0.0002315900000000, 0.0001092100000000, 0.0008994800000000 ] - [ -0.0001753100000000, 0.0001877300000000, -0.0003743100000000 ] - [ 0.0001090800000000, 0.0000657800000000, 0.0001526900000000 ] - [ 0.0000890700000000, -0.0004062100000000, -0.0001367600000000 ] - [ 0.0000022300000000, -0.0000083400000000, 0.0000232200000000 ] - [ 0.0001777000000000, -0.0000130200000000, -0.0004167800000000 ] - [ 0.0000208300000000, 0.0000182100000000, 0.0002390400000000 ] - [ 0.0002346900000000, -0.0001797500000000, -0.0003793400000000 ] - [ 0.0000468700000000, 0.0000534800000000, 0.0000206500000000 ] - [ -0.0001332500000000, -0.0003118700000000, 0.0006220400000000 ] - [ -0.0001818600000000, 0.0029748800000000, 0.0019978700000000 ] - [ -0.0037952700000000, -0.0038235100000000, -0.0012776800000000 ] - [ 0.0001450200000000, 0.0000856500000000, 0.0001352500000000 ] - [ 0.0001512100000000, -0.0000408800000000, -0.0002578500000000 ] - [ 0.0000049800000000, -0.0000068500000000, -0.0001326300000000 ] - [ -0.0001265500000000, -0.0003400100000000, -0.0001314200000000 ] - [ -0.0001524400000000, 0.0001130600000000, 0.0003488700000000 ] - [ -0.0003183900000000, -0.0004140300000000, -0.0006592700000000 ] - [ -0.0000815000000000, -0.0002122400000000, -0.0000790800000000 ] - [ 0.0002419200000000, -0.0003426200000000, 0.0003192700000000 ] - [ 0.0000203700000000, 0.0005184600000000, 0.0000936100000000 ] - [ 0.0000835900000000, 0.0010485300000000, -0.0010719700000000 ] - [ -0.0001127800000000, 0.0002199900000000, 0.0004597500000000 ] - [ -0.0000205100000000, 0.0003005200000000, -0.0004362900000000 ] - [ -0.0002318400000000, 0.0001954800000000, -0.0000643700000000 ] - [ -0.0003108400000000, -0.0001226800000000, -0.0006145500000000 ] - [ 0.0001184000000000, 0.0002681700000000, -0.0001095800000000 ] - [ -0.0004021700000000, 0.0003254600000000, 0.0002721100000000 ] - [ 0.0000447000000000, 0.0001214000000000, 0.0002524200000000 ] - [ 0.0001338800000000, 0.0000219500000000, -0.0002958500000000 ] - [ -0.0001055500000000, -0.0002670200000000, 0.0003165200000000 ] - [ 0.0001237900000000, -0.0002445800000000, -0.0000772900000000 ] - [ 0.0001363200000000, -0.0002062300000000, -0.0005458300000000 ] - [ -0.0000152900000000, -0.0001599800000000, 0.0000318200000000 ] - [ 0.0000735600000000, 0.0000254300000000, 0.0001425100000000 ] - [ 0.0001651900000000, -0.0003127600000000, -0.0006097700000000 ] - [ -0.0001313300000000, -0.0000458500000000, -0.0000682600000000 ] - [ -0.0000807200000000, 0.0002483100000000, -0.0005605900000000 ] - [ -0.0000345500000000, -0.0000694400000000, 0.0000281900000000 ] - [ 0.0001284800000000, -0.0000806600000000, -0.0001489400000000 ] - [ 0.0000803400000000, 0.0000276200000000, 0.0002506800000000 ] - [ 0.0001798800000000, -0.0000807200000000, 0.0001106400000000 ] - [ 0.0001984200000000, 0.0000441700000000, -0.0000630600000000 ] - [ 0.0006399400000000, 0.0000603800000000, -0.0000425300000000 ] - [ -0.0000885700000000, 0.0001915500000000, -0.0001812300000000 ] - [ -0.0101123300000000, -0.0132536700000000, -0.0098728700000000 ] - [ 0.0002956300000000, 0.0002368700000000, -0.0007610400000000 ] - [ 0.0082023300000000, 0.0078730400000000, 0.0162125800000000 ] - [ -0.0000733000000000, -0.0002798400000000, -0.0004221200000000 ] - [ -0.0232120000000000, 0.0034747400000000, 0.1434420100000000 ] - [ 0.0003588700000000, -0.0003647400000000, -0.0009189100000000 ] - [ -0.0093719900000000, -0.0049348600000000, -0.0057599600000000 ] - [ 0.0002036600000000, -0.0002715700000000, -0.0005458700000000 ] - [ 0.0005471800000000, -0.0000151500000000, 0.0012821600000000 ] - [ -0.0003054000000000, 0.0003831700000000, -0.0001800600000000 ] - [ -0.0000096400000000, -0.0004253800000000, -0.0004291800000000 ] - [ -0.0002350200000000, 0.0008504000000000, -0.0004891500000000 ] - [ -0.0003843500000000, 0.0004620700000000, -0.0001269900000000 ] - [ 0.0001566600000000, -0.0001065400000000, -0.0003175700000000 ] - [ 0.0002873200000000, 0.0009491700000000, 0.0001734600000000 ] - [ -0.0001045000000000, -0.0000684900000000, -0.0001395200000000 ] - [ -0.0003023400000000, 0.0002012000000000, 0.0007512100000000 ] - [ 0.0000003900000000, -0.0000766800000000, -0.0003271100000000 ] - [ -0.0002077000000000, -0.0003269100000000, 0.0012504800000000 ] - [ -0.0000607800000000, -0.0000229100000000, -0.0001285100000000 ] - [ 0.0002396300000000, -0.0001262100000000, 0.0008528800000000 ] - [ 0.0000768900000000, -0.0001063800000000, -0.0002719800000000 ] - [ 0.0000843600000000, -0.0005168100000000, 0.0008902900000000 ] - [ -0.0002561000000000, -0.0000453800000000, -0.0001126800000000 ] - [ 0.0001553800000000, 0.0004808500000000, 0.0015549300000000 ] - [ -0.0000973700000000, 0.0000264900000000, -0.0000639100000000 ] - [ 0.0000728300000000, 0.0003497700000000, -0.0000566600000000 ] - [ 0.0002166300000000, -0.0000237200000000, -0.0000168300000000 ] - [ -0.0002248800000000, 0.0000503600000000, 0.0000559900000000 ] - [ -0.0001598200000000, 0.0002993700000000, -0.0002599000000000 ] - [ -0.0003451400000000, -0.0002989400000000, -0.0009403900000000 ] - [ 0.0002564400000000, 0.0002582700000000, -0.0000476100000000 ] - [ -0.0012010800000000, 0.0024987600000000, 0.0035771100000000 ] - [ 0.0000819200000000, -0.0002087200000000, -0.0003406100000000 ] - [ -0.0004042500000000, -0.0004470800000000, 0.0004224300000000 ] - [ -0.0000646500000000, -0.0001680600000000, -0.0002718000000000 ] - [ -0.0007538300000000, -0.0005435700000000, -0.0041305200000000 ] - [ 0.0015294400000000, 0.0012428400000000, -0.0026421200000000 ] - [ 0.0018089200000000, -0.0007655400000000, 0.0004677600000000 ] - [ -0.0002320000000000, 0.0004828100000000, -0.0007159400000000 ] - [ -0.0012476400000000, 0.0009161700000000, -0.0005079600000000 ] - [ 0.0001030100000000, -0.0002598100000000, -0.0001965700000000 ] - [ 0.0014507400000000, -0.0018325200000000, 0.0028682600000000 ] - [ -0.0000039100000000, -0.0001407700000000, -0.0004480700000000 ] - [ -0.0012056300000000, 0.0020119400000000, 0.0010732900000000 ] - [ 0.0003184800000000, -0.0001169600000000, -0.0005931400000000 ] - [ 0.0002478200000000, 0.0003488900000000, -0.0004871500000000 ] - [ -0.0003462800000000, -0.0004831300000000, 0.0002373100000000 ] - [ -0.0003336500000000, 0.0006384100000000, 0.0007055600000000 ] - [ 0.0000080700000000, -0.0001944900000000, -0.0001537700000000 ] - [ -0.0002688800000000, -0.0010049700000000, 0.0005488700000000 ] - [ 0.0000131200000000, -0.0000193000000000, -0.0002640600000000 ] - [ 0.0000047400000000, 0.0002220400000000, -0.0001720000000000 ] - [ -0.0001144400000000, 0.0002496800000000, -0.0000691600000000 ] - [ -0.0001005800000000, -0.0001275600000000, 0.0002016300000000 ] - [ 0.0001500200000000, 0.0001699700000000, -0.0000765300000000 ] - [ 0.0014849700000000, -0.0012960700000000, -0.0004295300000000 ] - [ -0.0000757300000000, -0.0001117000000000, -0.0002209900000000 ] - [ 0.0008329600000000, -0.0004916500000000, 0.0005773700000000 ] - [ -0.0001314700000000, -0.0002254500000000, -0.0002593600000000 ]- atom: 113 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ -0.0003404600000000, 0.0002324500000000, -0.0001252100000000 ] - [ -0.0001353200000000, 0.0001470400000000, -0.0001666400000000 ] - [ -0.0011085600000000, -0.0006426900000000, -0.0009594200000000 ] - [ -0.0000830700000000, -0.0000365800000000, -0.0000503900000000 ] - [ -0.0001380800000000, 0.0000069800000000, 0.0000466600000000 ] - [ 0.0000134700000000, 0.0000671500000000, -0.0001182400000000 ] - [ -0.0003129500000000, -0.0002224500000000, -0.0001520100000000 ] - [ -0.0000525200000000, 0.0000683700000000, -0.0000532000000000 ] - [ -0.0005830800000000, 0.0003230700000000, -0.0003237400000000 ] - [ 0.0006535200000000, -0.0003113800000000, 0.0001377300000000 ] - [ -0.0019673000000000, 0.0006852200000000, -0.0013503500000000 ] - [ -0.0001057600000000, -0.0001087000000000, -0.0000718100000000 ] - [ 0.0002371200000000, -0.0001277400000000, -0.0002424600000000 ] - [ -0.0001632600000000, -0.0000226500000000, -0.0000423600000000 ] - [ 0.0012546700000000, 0.0000895300000000, -0.0010322000000000 ] - [ -0.0000698500000000, 0.0000001900000000, 0.0002356600000000 ] - [ -0.0006257000000000, -0.0004012600000000, -0.0002028600000000 ] - [ -0.0002828800000000, -0.0002306800000000, -0.0003355200000000 ] - [ -0.0003878200000000, 0.0002048500000000, -0.0005159200000000 ] - [ 0.0000314500000000, 0.0000054000000000, 0.0003609400000000 ] - [ 0.0059377200000000, -0.0016740200000000, -0.0056319000000000 ] - [ 0.0002443000000000, 0.0002775600000000, 0.0001831700000000 ] - [ -0.0003002100000000, 0.0002643400000000, -0.0003855400000000 ] - [ -0.0008466300000000, 0.0003453400000000, -0.0004666600000000 ] - [ -0.0010292600000000, -0.0006617000000000, -0.0007145700000000 ] - [ 0.0000579500000000, 0.0002244100000000, -0.0001726600000000 ] - [ -0.0003647800000000, 0.0003145700000000, 0.0001764100000000 ] - [ -0.0004263400000000, 0.0000573600000000, -0.0001174700000000 ] - [ -0.0003464000000000, -0.0002716400000000, 0.0001571900000000 ] - [ -0.0001441800000000, -0.0002245400000000, 0.0001361400000000 ] - [ -0.0000156700000000, -0.0001254500000000, -0.0002675500000000 ] - [ -0.0000292000000000, -0.0001662600000000, -0.0001864900000000 ] - [ -0.0003562000000000, -0.0001488200000000, 0.0000882600000000 ] - [ -0.0000272500000000, 0.0000478000000000, 0.0000836700000000 ] - [ -0.0006481300000000, 0.0001676900000000, -0.0006816200000000 ] - [ -0.0002448000000000, -0.0000348400000000, 0.0000952000000000 ] - [ -0.0002964800000000, 0.0001114100000000, -0.0000445300000000 ] - [ -0.0002691300000000, 0.0002104300000000, -0.0004031400000000 ] - [ -0.0001332900000000, 0.0000046800000000, 0.0000862300000000 ] - [ -0.0000586000000000, -0.0000145100000000, 0.0000462800000000 ] - [ 0.0002305800000000, 0.0003632600000000, -0.0001794800000000 ] - [ -0.0000509300000000, 0.0001826500000000, 0.0000675900000000 ] - [ 0.0000962900000000, -0.0000804000000000, -0.0000279000000000 ] - [ 0.0000207900000000, -0.0000576700000000, 0.0000378600000000 ] - [ 0.0016902500000000, 0.0002948500000000, 0.0009209400000000 ] - [ -0.0003712800000000, 0.0002235800000000, 0.0004001100000000 ] - [ -0.0000805800000000, -0.0004509500000000, 0.0001910900000000 ] - [ 0.0000700800000000, 0.0000772300000000, 0.0001323400000000 ] - [ -0.0002200700000000, 0.0000091700000000, 0.0001785600000000 ] - [ -0.0001937400000000, 0.0000062300000000, 0.0002099200000000 ] - [ 0.0000745000000000, 0.0001648600000000, -0.0001678400000000 ] - [ 0.0001605400000000, 0.0000673700000000, -0.0002524700000000 ] - [ 0.0000771000000000, -0.0000624300000000, -0.0001244400000000 ] - [ 0.0003660000000000, -0.0006082000000000, -0.0006844000000000 ] - [ -0.0007580100000000, -0.0003431000000000, 0.0002293200000000 ] - [ -0.0001801100000000, 0.0000378000000000, 0.0001360600000000 ] - [ 0.0002953100000000, 0.0000214200000000, -0.0002021200000000 ] - [ 0.0000050300000000, -0.0000741500000000, -0.0000436800000000 ] - [ -0.0001119200000000, -0.0000774500000000, 0.0002364300000000 ] - [ 0.0000062000000000, -0.0000230500000000, 0.0000356500000000 ] - [ 0.0001414500000000, 0.0003862700000000, 0.0001069500000000 ] - [ 0.0001064100000000, 0.0002680000000000, 0.0001950400000000 ] - [ -0.0000651100000000, 0.0002453300000000, -0.0001716600000000 ] - [ 0.0000052900000000, 0.0003625100000000, -0.0001620300000000 ] - [ 0.0005526900000000, 0.0003684900000000, -0.0006226500000000 ] - [ 0.0001188200000000, 0.0002737000000000, -0.0001764200000000 ] - [ -0.0000813700000000, 0.0002967000000000, 0.0001919600000000 ] - [ -0.0000875900000000, -0.0000977900000000, 0.0003629100000000 ] - [ 0.0007750500000000, 0.0000176700000000, -0.0003305500000000 ] - [ -0.0001539400000000, -0.0001973800000000, 0.0002656600000000 ] - [ -0.0000951500000000, -0.0000228600000000, -0.0000503500000000 ] - [ 0.0003237000000000, 0.0000816400000000, -0.0005027800000000 ] - [ 0.0004000400000000, 0.0000081300000000, -0.0000231300000000 ] - [ 0.0000861500000000, 0.0000053700000000, 0.0001910100000000 ] - [ -0.0002507700000000, -0.0002698300000000, -0.0001825700000000 ] - [ -0.0000174600000000, -0.0000141800000000, -0.0001753900000000 ] - [ 0.0000089100000000, 0.0004270200000000, -0.0005166700000000 ] - [ -0.0001737200000000, 0.0000482000000000, -0.0000928700000000 ] - [ 0.0006856700000000, -0.0000055300000000, 0.0000100400000000 ] - [ -0.0002729900000000, 0.0004632600000000, 0.0005762200000000 ] - [ 0.0015683100000000, 0.0013682600000000, 0.0015450500000000 ] - [ 0.0002288500000000, 0.0001106800000000, 0.0000787100000000 ] - [ 0.0008920100000000, 0.0004745800000000, 0.0005106000000000 ] - [ 0.0001112900000000, 0.0000528000000000, -0.0000368600000000 ] - [ 0.0002228600000000, -0.0000531200000000, -0.0000537900000000 ] - [ 0.0002530200000000, -0.0002952000000000, -0.0000114800000000 ] - [ 0.0002737600000000, -0.0002952300000000, 0.0001602300000000 ] - [ 0.0001406600000000, -0.0001343300000000, 0.0002526800000000 ] - [ 0.0007310000000000, -0.0000133700000000, 0.0003066800000000 ] - [ 0.0002646600000000, -0.0002004800000000, 0.0001024100000000 ] - [ 0.0001998100000000, -0.0002743700000000, -0.0000872500000000 ] - [ 0.0009993700000000, -0.0009163500000000, 0.0007267000000000 ] - [ 0.0050151100000000, 0.0036907500000000, 0.0028446300000000 ] - [ -0.0000644100000000, -0.0000646300000000, 0.0000132400000000 ] - [ 0.0011319500000000, 0.0008791000000000, 0.0006069400000000 ] - [ 0.0003849600000000, -0.0000599500000000, 0.0000371100000000 ] - [ 0.0009705900000000, 0.0005827900000000, -0.0008642800000000 ] - [ -0.0002403300000000, 0.0001172800000000, 0.0001489300000000 ] - [ -0.0014257900000000, 0.0006739600000000, 0.0015703900000000 ] - [ 0.0000486700000000, 0.0000416700000000, -0.0001799500000000 ] - [ -0.0019576500000000, -0.0007610900000000, 0.0005374100000000 ] - [ 0.0015414800000000, -0.0012813300000000, -0.0009342400000000 ] - [ 0.0014261900000000, -0.0028247900000000, 0.0027804200000000 ] - [ 0.0002089500000000, -0.0003123600000000, -0.0001259400000000 ] - [ -0.0014324500000000, -0.0006994300000000, 0.0007655500000000 ] - [ 0.0004269200000000, -0.0003537300000000, -0.0003565500000000 ] - [ -0.0003212100000000, -0.0005125700000000, 0.0004045300000000 ] - [ 0.0001572100000000, -0.0003649500000000, -0.0001019500000000 ] - [ -0.0002522300000000, 0.0002031600000000, 0.0004247500000000 ] - [ -0.0001689300000000, 0.0001183300000000, 0.0000672700000000 ] - [ -0.0002103800000000, 0.0001817000000000, 0.0001116400000000 ] - [ 0.0001026100000000, 0.0000827700000000, -0.0001207400000000 ] - [ -0.0136769400000000, 0.0014952600000000, 0.0027291300000000 ] - [ -0.0000911700000000, 0.0002077100000000, -0.0001506300000000 ] - [ 0.0006883400000000, 0.0003963600000000, -0.0005590900000000 ] - [ 0.0001630000000000, 0.0003137100000000, 0.0003248200000000 ] - [ 0.0006226000000000, 0.0009264100000000, 0.0006617900000000 ] - [ 0.0000999500000000, -0.0001120600000000, 0.0000153100000000 ] - [ -0.0004407700000000, -0.0003852600000000, -0.0007388600000000 ] - [ -0.0004345200000000, 0.0003384200000000, -0.0003902100000000 ] - [ 0.0002778700000000, 0.0001249900000000, -0.0000606000000000 ] - [ 0.0000292800000000, 0.0002790800000000, 0.0000170900000000 ] - [ 0.0012557300000000, -0.0026815200000000, 0.0006497000000000 ] - [ 0.0000251500000000, 0.0002259300000000, -0.0000043100000000 ] - [ 0.0003337800000000, 0.0001061500000000, -0.0011944100000000 ] - [ -0.0007541900000000, -0.0000253700000000, 0.0005171900000000 ] - [ 0.0009919700000000, -0.0002829800000000, 0.0001783600000000 ] - [ 0.0000579500000000, -0.0002072000000000, 0.0000752300000000 ] - [ 0.0000961600000000, 0.0002526800000000, 0.0000010300000000 ] - [ 0.0000392600000000, 0.0001046100000000, 0.0000360600000000 ] - [ -0.0000828600000000, 0.0002192900000000, -0.0000072800000000 ] - [ 0.0000009000000000, 0.0001198500000000, -0.0000155100000000 ] - [ -0.0001269600000000, 0.0000154200000000, -0.0000344400000000 ] - [ -0.0001284700000000, -0.0001456500000000, 0.0001037100000000 ] - [ 0.0001431500000000, -0.0001734200000000, -0.0000687400000000 ] - [ 0.0001468000000000, -0.0000690700000000, 0.0000575100000000 ] - [ -0.0005826500000000, -0.0000468800000000, -0.0002277600000000 ] - [ -0.0001402600000000, 0.0002061900000000, -0.0001357000000000 ] - [ 0.0005161700000000, -0.0002029500000000, 0.0000831800000000 ] - [ 0.0001182500000000, 0.0001508800000000, 0.0001310900000000 ] - [ 0.0000879300000000, -0.0002664100000000, 0.0000509200000000 ] - [ 0.0001684900000000, -0.0002057400000000, 0.0000395100000000 ] - [ -0.0001590900000000, -0.0003573700000000, -0.0001133200000000 ] - [ -0.0001409000000000, -0.0002273100000000, -0.0000989300000000 ]- atom: 113 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ 0.0003388900000000, -0.0000560800000000, 0.0001223200000000 ] - [ 0.0001310700000000, 0.0000332400000000, 0.0001621100000000 ] - [ 0.0011147300000000, 0.0004702600000000, 0.0009672400000000 ] - [ 0.0000821100000000, -0.0001399000000000, 0.0000496800000000 ] - [ 0.0001379300000000, -0.0000445700000000, -0.0000467600000000 ] - [ -0.0000128400000000, -0.0001036900000000, 0.0001182500000000 ] - [ 0.0003075300000000, 0.0002545100000000, 0.0001531500000000 ] - [ 0.0000529100000000, -0.0000307300000000, 0.0000519700000000 ] - [ 0.0003827800000000, -0.0004101200000000, 0.0007100700000000 ] - [ -0.0008570700000000, 0.0002353600000000, 0.0002560200000000 ] - [ 0.0021693900000000, -0.0007551200000000, 0.0009432100000000 ] - [ 0.0003067500000000, 0.0000329500000000, -0.0003242100000000 ] - [ -0.0000362900000000, 0.0002043300000000, -0.0001517000000000 ] - [ 0.0003645200000000, 0.0000992700000000, -0.0003512700000000 ] - [ -0.0014528800000000, -0.0000181700000000, 0.0014149200000000 ] - [ -0.0001289100000000, 0.0000780200000000, 0.0001567800000000 ] - [ 0.0003602800000000, -0.0000496700000000, -0.0002012100000000 ] - [ 0.0000168900000000, -0.0002196600000000, -0.0000706100000000 ] - [ 0.0006491600000000, -0.0006496100000000, 0.0009193600000000 ] - [ 0.0002317700000000, -0.0004565500000000, 0.0000430100000000 ] - [ -0.0059813300000000, 0.0021564800000000, 0.0062596000000000 ] - [ 0.0000208900000000, 0.0001724800000000, 0.0002212800000000 ] - [ 0.0000371200000000, 0.0001842800000000, -0.0000204100000000 ] - [ 0.0005828200000000, 0.0001042400000000, 0.0000651100000000 ] - [ 0.0012542900000000, 0.0011534100000000, 0.0003302800000000 ] - [ 0.0001626200000000, 0.0002612300000000, -0.0002162900000000 ] - [ 0.0001427100000000, 0.0001725100000000, 0.0002113500000000 ] - [ 0.0002031500000000, 0.0004314900000000, 0.0005044400000000 ] - [ 0.0001243800000000, -0.0002154400000000, 0.0002318400000000 ] - [ -0.0000771100000000, -0.0002603900000000, 0.0002536100000000 ] - [ 0.0002356100000000, -0.0003592100000000, -0.0001206000000000 ] - [ 0.0002509500000000, -0.0003203500000000, -0.0002020300000000 ] - [ 0.0004966900000000, 0.0001488000000000, 0.0002075500000000 ] - [ 0.0001682900000000, -0.0000490800000000, 0.0002107900000000 ] - [ 0.0005038100000000, -0.0001953900000000, 0.0003701200000000 ] - [ 0.0001048400000000, 0.0000329000000000, -0.0003916300000000 ] - [ 0.0001558400000000, -0.0001104000000000, -0.0002515400000000 ] - [ 0.0001261700000000, -0.0002039600000000, 0.0001040800000000 ] - [ 0.0002732200000000, -0.0000041900000000, 0.0002070500000000 ] - [ 0.0001985200000000, 0.0000164300000000, 0.0002488700000000 ] - [ -0.0002313500000000, -0.0001852900000000, 0.0001778500000000 ] - [ 0.0000514800000000, -0.0000053800000000, -0.0000682400000000 ] - [ -0.0000953000000000, -0.0000949800000000, 0.0000291500000000 ] - [ -0.0000213100000000, -0.0001185600000000, -0.0000371900000000 ] - [ -0.0016844600000000, -0.0003413300000000, -0.0008910300000000 ] - [ 0.0003746000000000, -0.0002626300000000, -0.0004008000000000 ] - [ 0.0000872700000000, 0.0004909200000000, -0.0001996500000000 ] - [ -0.0000704300000000, -0.0000401800000000, -0.0001330500000000 ] - [ 0.0000187000000000, -0.0000848600000000, 0.0002159800000000 ] - [ -0.0000054800000000, -0.0000840600000000, 0.0001830000000000 ] - [ 0.0001239100000000, -0.0002440000000000, -0.0002262100000000 ] - [ 0.0000381800000000, -0.0001446800000000, -0.0001409900000000 ] - [ 0.0001218600000000, 0.0001411300000000, -0.0002694200000000 ] - [ -0.0001660300000000, 0.0006895200000000, 0.0002932400000000 ] - [ 0.0005611200000000, 0.0004243000000000, 0.0001644000000000 ] - [ -0.0000190300000000, 0.0000401500000000, 0.0002572500000000 ] - [ -0.0005597200000000, -0.0004669400000000, -0.0002023300000000 ] - [ -0.0002703800000000, -0.0003762200000000, -0.0003617100000000 ] - [ 0.0003778000000000, -0.0003724900000000, 0.0001686600000000 ] - [ 0.0002602200000000, -0.0004260600000000, 0.0003687600000000 ] - [ 0.0001246200000000, 0.0000663800000000, 0.0002981400000000 ] - [ 0.0001595200000000, 0.0001828100000000, 0.0002104300000000 ] - [ -0.0001999100000000, 0.0002043800000000, -0.0002316300000000 ] - [ -0.0002710200000000, 0.0000889200000000, -0.0002446400000000 ] - [ -0.0003279800000000, 0.0001181800000000, 0.0002319700000000 ] - [ 0.0001017500000000, 0.0002116400000000, -0.0002129700000000 ] - [ -0.0001410000000000, 0.0001892000000000, 0.0001959700000000 ] - [ -0.0001331800000000, 0.0005820200000000, 0.0000254400000000 ] - [ -0.0009916700000000, -0.0005091700000000, 0.0007194700000000 ] - [ -0.0000676000000000, -0.0002892900000000, 0.0001230900000000 ] - [ 0.0003177200000000, -0.0004638800000000, -0.0003382900000000 ] - [ -0.0001014800000000, -0.0005718800000000, 0.0001185600000000 ] - [ -0.0002554700000000, -0.0000060600000000, 0.0003144500000000 ] - [ 0.0000543500000000, -0.0000073200000000, 0.0001044400000000 ] - [ 0.0001128300000000, 0.0002685000000000, -0.0001133300000000 ] - [ -0.0001215400000000, 0.0000121800000000, -0.0001196800000000 ] - [ -0.0001434800000000, -0.0004226300000000, 0.0002175700000000 ] - [ 0.0000340600000000, -0.0000472700000000, -0.0002016400000000 ] - [ -0.0005486800000000, 0.0000055700000000, 0.0002841600000000 ] - [ 0.0004152100000000, -0.0004639100000000, -0.0002830100000000 ] - [ -0.0016297300000000, -0.0012670800000000, -0.0013323400000000 ] - [ -0.0002702100000000, -0.0000091100000000, 0.0001330500000000 ] - [ -0.0008502700000000, -0.0003791000000000, -0.0007296700000000 ] - [ -0.0000687400000000, 0.0000505800000000, -0.0001747300000000 ] - [ -0.0001794000000000, -0.0000502400000000, -0.0001579900000000 ] - [ -0.0002118600000000, 0.0001918900000000, -0.0001981300000000 ] - [ -0.0003175700000000, 0.0001933500000000, 0.0000533400000000 ] - [ -0.0001793700000000, 0.0000311300000000, -0.0000406500000000 ] - [ -0.0004537300000000, -0.0002402400000000, -0.0004541800000000 ] - [ 0.0000142700000000, -0.0000575300000000, -0.0002497700000000 ] - [ -0.0004751300000000, 0.0000205400000000, 0.0002386200000000 ] - [ -0.0012744900000000, 0.0006573100000000, -0.0005785300000000 ] - [ -0.0053642600000000, -0.0034627700000000, -0.0026999200000000 ] - [ -0.0002117300000000, 0.0003210900000000, 0.0001376400000000 ] - [ -0.0008575300000000, -0.0006311800000000, -0.0007615100000000 ] - [ -0.0001081200000000, 0.0003148200000000, -0.0001838400000000 ] - [ -0.0010092200000000, -0.0004778700000000, 0.0010758900000000 ] - [ 0.0001965200000000, -0.0000118100000000, 0.0000627100000000 ] - [ 0.0014367300000000, -0.0005867200000000, -0.0017619300000000 ] - [ -0.0000072100000000, 0.0000608900000000, -0.0000321400000000 ] - [ 0.0020104400000000, 0.0006597700000000, -0.0007544800000000 ] - [ -0.0015051800000000, 0.0011855000000000, 0.0007222700000000 ] - [ -0.0014804400000000, 0.0026879500000000, -0.0025249400000000 ] - [ -0.0002524000000000, 0.0002118000000000, 0.0003388100000000 ] - [ 0.0017108300000000, 0.0004465900000000, -0.0009138200000000 ] - [ -0.0001521100000000, 0.0000995400000000, 0.0002079400000000 ] - [ 0.0000392100000000, 0.0002608900000000, -0.0002554400000000 ] - [ -0.0004332900000000, 0.0001107100000000, 0.0002522900000000 ] - [ -0.0000268000000000, 0.0000508700000000, -0.0002745000000000 ] - [ -0.0001079000000000, 0.0001382900000000, 0.0000825900000000 ] - [ 0.0004821500000000, 0.0000716600000000, -0.0002583700000000 ] - [ 0.0001740600000000, 0.0001717800000000, -0.0000287800000000 ] - [ 0.0140504100000000, -0.0012029700000000, -0.0030162900000000 ] - [ 0.0000618200000000, 0.0000750200000000, 0.0001070900000000 ] - [ -0.0006567900000000, -0.0001119100000000, 0.0005977600000000 ] - [ -0.0001352200000000, -0.0000327500000000, -0.0002834200000000 ] - [ -0.0005911400000000, -0.0011959400000000, -0.0006097200000000 ] - [ -0.0000705300000000, -0.0001707000000000, 0.0000281100000000 ] - [ 0.0004165900000000, 0.0001071500000000, 0.0006925700000000 ] - [ 0.0004030900000000, -0.0006228100000000, 0.0003482100000000 ] - [ -0.0003662400000000, 0.0002892500000000, -0.0000601200000000 ] - [ -0.0001176900000000, 0.0001337700000000, -0.0001356700000000 ] - [ -0.0011710000000000, 0.0031247400000000, -0.0005344700000000 ] - [ 0.0000621900000000, 0.0001869100000000, 0.0001244100000000 ] - [ -0.0002469500000000, -0.0005177200000000, 0.0013176400000000 ] - [ 0.0008458300000000, -0.0003846700000000, -0.0003968700000000 ] - [ -0.0010748200000000, -0.0001296100000000, -0.0002947300000000 ] - [ -0.0001454800000000, -0.0002049600000000, -0.0001957600000000 ] - [ -0.0001256600000000, 0.0000293500000000, -0.0000459500000000 ] - [ -0.0000684200000000, 0.0001779700000000, -0.0000798500000000 ] - [ 0.0001131700000000, 0.0000621300000000, 0.0000514100000000 ] - [ 0.0000289600000000, 0.0001626500000000, 0.0000604900000000 ] - [ 0.0001567300000000, -0.0002986500000000, 0.0000785400000000 ] - [ 0.0001586600000000, -0.0001372500000000, -0.0000598300000000 ] - [ -0.0001730600000000, -0.0001093100000000, 0.0000245500000000 ] - [ -0.0001768300000000, -0.0002138400000000, -0.0001014900000000 ] - [ 0.0004962000000000, 0.0004606600000000, 0.0001084600000000 ] - [ 0.0000527300000000, 0.0002059800000000, 0.0000166100000000 ] - [ -0.0004292600000000, 0.0006123500000000, 0.0000360200000000 ] - [ -0.0000310900000000, 0.0002620300000000, -0.0000117400000000 ] - [ -0.0000006600000000, -0.0001463100000000, 0.0000681300000000 ] - [ -0.0000806400000000, -0.0002065300000000, 0.0000798700000000 ] - [ 0.0000742000000000, -0.0000592600000000, -0.0000050600000000 ] - [ 0.0000524700000000, -0.0001847200000000, -0.0000203900000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000702200000000, 0.0001344400000000, -0.0000040800000000 ] - [ 0.0003012000000000, -0.0001650800000000, 0.0003124100000000 ] - [ -0.0000936900000000, 0.0004771900000000, 0.0002633600000000 ] - [ 0.0000151000000000, -0.0000484900000000, 0.0000035600000000 ] - [ 0.0000453000000000, -0.0001063900000000, -0.0000398400000000 ] - [ 0.0000020700000000, -0.0001660100000000, 0.0001163300000000 ] - [ -0.0004330600000000, -0.0002825600000000, 0.0000041000000000 ] - [ 0.0000098800000000, -0.0000130600000000, 0.0000021700000000 ] - [ 0.0002163400000000, -0.0005619400000000, 0.0004224600000000 ] - [ -0.0004958100000000, 0.0005017200000000, 0.0004214200000000 ] - [ 0.0014695000000000, 0.0007157600000000, 0.0000908600000000 ] - [ 0.0002606000000000, 0.0001459300000000, -0.0003658400000000 ] - [ -0.0000374700000000, 0.0001638000000000, -0.0003848400000000 ] - [ -0.0005010300000000, 0.0003059300000000, 0.0002507500000000 ] - [ -0.0017421200000000, 0.0074796800000000, 0.0069287900000000 ] - [ -0.0001104300000000, 0.0001110400000000, 0.0001921900000000 ] - [ -0.0003235300000000, -0.0000333300000000, -0.0000492600000000 ] - [ 0.0000021600000000, -0.0000117700000000, -0.0000693300000000 ] - [ 0.0007471700000000, -0.0008892200000000, 0.0009918400000000 ] - [ 0.0004364500000000, -0.0001501900000000, 0.0000508000000000 ] - [ 0.0006515800000000, 0.0021523100000000, 0.0011321600000000 ] - [ 0.0001357200000000, 0.0003482900000000, 0.0000598800000000 ] - [ -0.0001133900000000, 0.0003352200000000, -0.0001652000000000 ] - [ -0.0000665400000000, 0.0004185600000000, -0.0002143700000000 ] - [ 0.0002238600000000, 0.0006701300000000, 0.0004249900000000 ] - [ 0.0001263200000000, 0.0002534000000000, -0.0002044300000000 ] - [ -0.0000357400000000, 0.0002455200000000, 0.0002067300000000 ] - [ -0.0006350600000000, 0.0002783100000000, -0.0000843100000000 ] - [ 0.0001430000000000, -0.0002990300000000, 0.0001154800000000 ] - [ -0.0000764300000000, -0.0002708000000000, 0.0002638000000000 ] - [ 0.0002647600000000, -0.0003806900000000, -0.0000811400000000 ] - [ 0.0001976500000000, -0.0002736300000000, -0.0002612200000000 ] - [ 0.0000699900000000, 0.0001396000000000, 0.0001792800000000 ] - [ 0.0001014100000000, 0.0000211500000000, 0.0001481600000000 ] - [ -0.0002596300000000, 0.0004110400000000, -0.0003864700000000 ] - [ -0.0000138700000000, 0.0000297400000000, -0.0002034100000000 ] - [ 0.0000860900000000, 0.0000528800000000, -0.0002554300000000 ] - [ 0.0000643400000000, -0.0002097500000000, 0.0000707000000000 ] - [ 0.0000939100000000, -0.0000561600000000, 0.0000444200000000 ] - [ 0.0001686900000000, 0.0000023800000000, 0.0002407500000000 ] - [ 0.0000241300000000, -0.0005544800000000, 0.0006438300000000 ] - [ 0.0000335800000000, -0.0000416000000000, -0.0000537000000000 ] - [ -0.0001416600000000, -0.0005273300000000, 0.0001733800000000 ] - [ -0.0000075400000000, -0.0002302000000000, -0.0000836500000000 ] - [ -0.0000773100000000, 0.0003109300000000, 0.0001990900000000 ] - [ 0.0004477900000000, -0.0003283600000000, -0.0004084300000000 ] - [ -0.0007078500000000, -0.0010112100000000, 0.0006956400000000 ] - [ -0.0000149200000000, -0.0000438400000000, -0.0001830400000000 ] - [ -0.0000357200000000, -0.0002068300000000, 0.0002008700000000 ] - [ -0.0000950800000000, -0.0001643800000000, 0.0001587300000000 ] - [ 0.0001941300000000, -0.0003320900000000, -0.0001602900000000 ] - [ 0.0001459800000000, -0.0001994900000000, -0.0001502700000000 ] - [ 0.0000595700000000, 0.0000387100000000, -0.0001817100000000 ] - [ 0.0000182900000000, -0.0003363600000000, -0.0004190700000000 ] - [ 0.0001019700000000, 0.0000260500000000, 0.0002958400000000 ] - [ -0.0000688400000000, 0.0000022800000000, 0.0001881800000000 ] - [ -0.0006063900000000, -0.0012361600000000, -0.0000415600000000 ] - [ -0.0002145600000000, -0.0004799400000000, -0.0002761300000000 ] - [ 0.0002705600000000, -0.0004816200000000, 0.0001355600000000 ] - [ 0.0003054400000000, -0.0005325400000000, 0.0003390200000000 ] - [ -0.0003130200000000, -0.0004357600000000, 0.0001466000000000 ] - [ 0.0000918800000000, 0.0000914300000000, 0.0002242600000000 ] - [ -0.0000667000000000, 0.0000105100000000, -0.0003592000000000 ] - [ 0.0000169800000000, -0.0006240600000000, 0.0000963000000000 ] - [ -0.0008775700000000, -0.0007792700000000, 0.0004721000000000 ] - [ 0.0001025200000000, 0.0001960700000000, -0.0002269000000000 ] - [ -0.0000113100000000, 0.0001833300000000, 0.0001787100000000 ] - [ -0.0002429300000000, -0.0000184700000000, 0.0004989200000000 ] - [ -0.0004333600000000, -0.0000947600000000, 0.0014760300000000 ] - [ -0.0000656800000000, -0.0002813700000000, 0.0001282100000000 ] - [ 0.0003237600000000, -0.0004401000000000, -0.0003039700000000 ] - [ 0.0001435200000000, -0.0002523000000000, 0.0000495100000000 ] - [ -0.0006238600000000, -0.0011620400000000, 0.0010708600000000 ] - [ 0.0001035600000000, -0.0000405600000000, 0.0001210700000000 ] - [ -0.0003743000000000, -0.0003506600000000, 0.0000541200000000 ] - [ -0.0001002600000000, -0.0000645700000000, -0.0002399100000000 ] - [ 0.0003928800000000, -0.0001581500000000, 0.0004236900000000 ] - [ 0.0000115700000000, -0.0000616000000000, -0.0002017700000000 ] - [ -0.0003364000000000, -0.0002274700000000, 0.0009380900000000 ] - [ 0.0003176100000000, -0.0003965900000000, -0.0001958000000000 ] - [ 0.0008866800000000, 0.0017183400000000, 0.0018526700000000 ] - [ -0.0000960600000000, 0.0000102400000000, 0.0001047300000000 ] - [ 0.0002531200000000, -0.0001450300000000, -0.0004747600000000 ] - [ 0.0000186500000000, 0.0000754400000000, -0.0001430400000000 ] - [ -0.0000351300000000, 0.0000700700000000, 0.0000006000000000 ] - [ -0.0002470200000000, 0.0002157200000000, -0.0002105600000000 ] - [ -0.0001116900000000, 0.0002767100000000, 0.0000680900000000 ] - [ -0.0001847300000000, 0.0000962400000000, -0.0000741900000000 ] - [ 0.0000236200000000, -0.0002664900000000, -0.0000104200000000 ] - [ -0.0000278100000000, 0.0000134000000000, -0.0002820700000000 ] - [ -0.0003290100000000, -0.0002573500000000, 0.0001443200000000 ] - [ -0.0011878400000000, 0.0012300300000000, -0.0006691800000000 ] - [ 0.0008770400000000, -0.0022514600000000, -0.0023741100000000 ] - [ -0.0001518900000000, 0.0001296400000000, 0.0001414300000000 ] - [ 0.0003077200000000, -0.0003436000000000, -0.0003447700000000 ] - [ 0.0000859900000000, 0.0000549100000000, -0.0001174000000000 ] - [ 0.0009311700000000, 0.0012037700000000, -0.0010433800000000 ] - [ 0.0001077400000000, 0.0000775700000000, 0.0002428400000000 ] - [ 0.0040410900000000, 0.0047086800000000, -0.0038013800000000 ] - [ -0.0000474500000000, 0.0000998000000000, 0.0000040200000000 ] - [ 0.0004068200000000, 0.0000906600000000, -0.0016204200000000 ] - [ -0.0010337600000000, 0.0013850000000000, 0.0005641500000000 ] - [ -0.0038121400000000, -0.0001838800000000, -0.0024718700000000 ] - [ -0.0002194700000000, 0.0002285400000000, 0.0003462200000000 ] - [ 0.0022907700000000, 0.0022316800000000, -0.0014202700000000 ] - [ -0.0001068500000000, 0.0001313200000000, 0.0001271500000000 ] - [ -0.0002985100000000, 0.0000629300000000, -0.0006116300000000 ] - [ -0.0003401800000000, 0.0001861900000000, 0.0002355900000000 ] - [ 0.0003755300000000, 0.0010626800000000, -0.0005956900000000 ] - [ -0.0001263000000000, 0.0002562900000000, 0.0001342800000000 ] - [ 0.0008485000000000, 0.0010350700000000, -0.0007780000000000 ] - [ -0.0000260500000000, 0.0003836600000000, 0.0000073700000000 ] - [ 0.0012368700000000, -0.0148167300000000, -0.0040132100000000 ] - [ 0.0000534400000000, -0.0000116300000000, 0.0000475000000000 ] - [ -0.0002359400000000, -0.0003539800000000, 0.0001764300000000 ] - [ -0.0001659600000000, -0.0002475900000000, -0.0002134700000000 ] - [ 0.0010806200000000, -0.0009525700000000, 0.0000767600000000 ] - [ 0.0000426600000000, -0.0003557300000000, -0.0000327100000000 ] - [ -0.0004640100000000, -0.0008496700000000, 0.0011837200000000 ] - [ 0.0002194700000000, -0.0008488300000000, -0.0004115700000000 ] - [ 0.0000404400000000, 0.0000856500000000, -0.0000764300000000 ] - [ -0.0000123000000000, 0.0001302400000000, -0.0000471000000000 ] - [ -0.0032480000000000, 0.0014224600000000, -0.0003146700000000 ] - [ 0.0000642700000000, 0.0001227400000000, 0.0000982300000000 ] - [ 0.0000651800000000, -0.0004147200000000, 0.0002578600000000 ] - [ 0.0004580300000000, -0.0007861100000000, 0.0005517000000000 ] - [ -0.0004011500000000, -0.0003656000000000, -0.0001376200000000 ] - [ -0.0000687300000000, -0.0003502200000000, -0.0000344500000000 ] - [ 0.0000964600000000, 0.0003387700000000, -0.0000593100000000 ] - [ -0.0000521700000000, 0.0002495700000000, -0.0000462200000000 ] - [ -0.0000659400000000, 0.0005288400000000, -0.0000187400000000 ] - [ 0.0000369600000000, 0.0002477700000000, 0.0000553000000000 ] - [ 0.0001680200000000, 0.0001211700000000, -0.0000703000000000 ] - [ 0.0000111400000000, 0.0000324200000000, 0.0000441400000000 ] - [ -0.0000864300000000, 0.0000385300000000, -0.0000080200000000 ] - [ 0.0000186600000000, 0.0000385100000000, 0.0000309800000000 ] - [ 0.0002080000000000, 0.0010392100000000, 0.0005548800000000 ] - [ 0.0000877200000000, 0.0003497500000000, -0.0001879500000000 ] - [ -0.0005323000000000, 0.0006868400000000, 0.0000343600000000 ] - [ 0.0000092500000000, 0.0003011100000000, 0.0000056500000000 ] - [ 0.0000787000000000, 0.0000547000000000, 0.0002514700000000 ] - [ 0.0001259000000000, -0.0000185500000000, -0.0000091700000000 ] - [ -0.0004529900000000, 0.0008370600000000, -0.0000557900000000 ] - [ -0.0000443800000000, -0.0000812400000000, -0.0001540200000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000713900000000, 0.0000443700000000, 0.0000032400000000 ] - [ -0.0003024000000000, 0.0003438700000000, -0.0003137500000000 ] - [ 0.0000920900000000, -0.0006603200000000, -0.0002655400000000 ] - [ -0.0000131600000000, -0.0001292500000000, -0.0000010100000000 ] - [ -0.0000459200000000, 0.0000687800000000, 0.0000403300000000 ] - [ -0.0000028200000000, 0.0001290000000000, -0.0001145600000000 ] - [ 0.0004305600000000, 0.0003166600000000, -0.0000052400000000 ] - [ -0.0000109100000000, 0.0000500000000000, -0.0000024300000000 ] - [ -0.0004106200000000, 0.0004826700000000, -0.0000260800000000 ] - [ 0.0002942100000000, -0.0005783000000000, -0.0000264800000000 ] - [ -0.0012675300000000, -0.0008022700000000, -0.0004821900000000 ] - [ -0.0000598500000000, -0.0002234300000000, -0.0000288400000000 ] - [ 0.0002360500000000, -0.0000852900000000, -0.0000096700000000 ] - [ 0.0006960100000000, -0.0002273400000000, -0.0006402100000000 ] - [ 0.0015156100000000, -0.0070138600000000, -0.0063195900000000 ] - [ -0.0000890400000000, -0.0000331500000000, 0.0002016400000000 ] - [ 0.0000559200000000, -0.0004168200000000, -0.0003553500000000 ] - [ -0.0002686600000000, -0.0004395500000000, -0.0003365100000000 ] - [ -0.0004882200000000, 0.0004395600000000, -0.0005903900000000 ] - [ -0.0001699800000000, -0.0002982900000000, 0.0003531900000000 ] - [ -0.0003866500000000, -0.0017050000000000, -0.0007327800000000 ] - [ 0.0001282400000000, 0.0001000100000000, 0.0003429800000000 ] - [ -0.0001531400000000, 0.0001160700000000, -0.0002405200000000 ] - [ -0.0002005000000000, 0.0000323900000000, -0.0001921400000000 ] - [ -0.0000027100000000, -0.0001873900000000, -0.0008181700000000 ] - [ 0.0000950600000000, 0.0002330900000000, -0.0001862800000000 ] - [ -0.0001860100000000, 0.0002398500000000, 0.0001803900000000 ] - [ 0.0004153800000000, 0.0002075400000000, 0.0004728000000000 ] - [ -0.0003623000000000, -0.0001872800000000, 0.0002728700000000 ] - [ -0.0001451600000000, -0.0002148800000000, 0.0001255500000000 ] - [ -0.0000444300000000, -0.0001038100000000, -0.0003089800000000 ] - [ 0.0000241500000000, -0.0002120100000000, -0.0001267500000000 ] - [ 0.0000697500000000, -0.0001430400000000, 0.0001164900000000 ] - [ 0.0000381500000000, -0.0000247900000000, 0.0001484200000000 ] - [ 0.0000956200000000, -0.0004314000000000, 0.0000725700000000 ] - [ -0.0001283000000000, -0.0000307600000000, -0.0000890800000000 ] - [ -0.0002256200000000, -0.0000500100000000, -0.0000405900000000 ] - [ -0.0002082400000000, 0.0002148100000000, -0.0003687200000000 ] - [ 0.0000458500000000, 0.0000585000000000, 0.0002501100000000 ] - [ -0.0000279400000000, 0.0000004500000000, 0.0000553700000000 ] - [ -0.0000248700000000, 0.0007337800000000, -0.0006510400000000 ] - [ -0.0000309000000000, 0.0002184700000000, 0.0000557400000000 ] - [ 0.0001416000000000, 0.0003494200000000, -0.0001705900000000 ] - [ 0.0000081200000000, 0.0000526500000000, 0.0000849800000000 ] - [ 0.0000771000000000, -0.0003615500000000, -0.0001914900000000 ] - [ -0.0004439800000000, 0.0002877700000000, 0.0004060900000000 ] - [ 0.0007104300000000, 0.0010373800000000, -0.0006987100000000 ] - [ 0.0000161000000000, 0.0000809200000000, 0.0001810200000000 ] - [ -0.0001647000000000, 0.0001294300000000, 0.0001922500000000 ] - [ -0.0001064200000000, 0.0000872500000000, 0.0002350400000000 ] - [ 0.0000060900000000, 0.0002545800000000, -0.0002333900000000 ] - [ 0.0000547300000000, 0.0001242800000000, -0.0002453200000000 ] - [ 0.0001412900000000, 0.0000369000000000, -0.0002123300000000 ] - [ 0.0001837400000000, 0.0004113800000000, 0.0000240200000000 ] - [ -0.0003048100000000, 0.0000503400000000, 0.0000978200000000 ] - [ -0.0001298600000000, 0.0000755700000000, 0.0002046800000000 ] - [ 0.0003448600000000, 0.0007886300000000, -0.0003641100000000 ] - [ -0.0000517200000000, 0.0000272200000000, -0.0001312200000000 ] - [ -0.0000059200000000, 0.0000315800000000, 0.0002686700000000 ] - [ -0.0000408200000000, 0.0000814400000000, 0.0000646200000000 ] - [ 0.0005754800000000, 0.0008838200000000, 0.0002577800000000 ] - [ 0.0001721400000000, 0.0003569000000000, 0.0001795500000000 ] - [ -0.0001985900000000, 0.0004398500000000, -0.0000468400000000 ] - [ -0.0002824500000000, 0.0010737800000000, -0.0004979600000000 ] - [ 0.0010937200000000, 0.0012613200000000, -0.0008569200000000 ] - [ 0.0001198400000000, 0.0002908400000000, -0.0001627800000000 ] - [ -0.0002095500000000, 0.0003020100000000, 0.0002090900000000 ] - [ 0.0000202300000000, 0.0005049400000000, -0.0001102900000000 ] - [ 0.0002322100000000, -0.0004520600000000, -0.0010967600000000 ] - [ -0.0001545900000000, -0.0002043100000000, 0.0002606000000000 ] - [ -0.0000988200000000, -0.0000494300000000, -0.0000870800000000 ] - [ 0.0000778000000000, -0.0002415300000000, -0.0004360900000000 ] - [ 0.0007578100000000, 0.0011531300000000, -0.0007690500000000 ] - [ 0.0000357800000000, 0.0000387400000000, 0.0001735700000000 ] - [ 0.0002351800000000, 0.0003503900000000, -0.0003473800000000 ] - [ -0.0000409900000000, 0.0000626300000000, -0.0000557900000000 ] - [ -0.0005377700000000, 0.0001561700000000, -0.0007251100000000 ] - [ -0.0001531400000000, 0.0000613800000000, -0.0000919900000000 ] - [ 0.0004785000000000, 0.0002275900000000, -0.0006530800000000 ] - [ -0.0001750700000000, 0.0003944200000000, 0.0004887100000000 ] - [ -0.0009307200000000, -0.0016230600000000, -0.0016400400000000 ] - [ 0.0000548600000000, 0.0000931100000000, 0.0001059200000000 ] - [ -0.0002094000000000, 0.0002479900000000, 0.0002647200000000 ] - [ 0.0000233800000000, 0.0000264200000000, -0.0000676600000000 ] - [ 0.0000780100000000, -0.0001740900000000, -0.0002114500000000 ] - [ 0.0002889500000000, -0.0003198500000000, 0.0000014400000000 ] - [ 0.0000710200000000, -0.0003782400000000, 0.0001440700000000 ] - [ 0.0001459400000000, -0.0001995200000000, 0.0002864700000000 ] - [ 0.0002547100000000, 0.0000074200000000, -0.0001359100000000 ] - [ 0.0003069300000000, -0.0002706600000000, 0.0001353800000000 ] - [ 0.0000527800000000, -0.0000017100000000, 0.0000054900000000 ] - [ 0.0009132200000000, -0.0014808700000000, 0.0008161600000000 ] - [ -0.0011364000000000, 0.0025412700000000, 0.0025448600000000 ] - [ -0.0001240100000000, 0.0001263000000000, 0.0000085000000000 ] - [ -0.0000322600000000, 0.0006034600000000, 0.0001959100000000 ] - [ 0.0001904900000000, 0.0002009100000000, -0.0000322700000000 ] - [ -0.0009694300000000, -0.0010910300000000, 0.0012515800000000 ] - [ -0.0001498600000000, 0.0000256000000000, -0.0000301700000000 ] - [ -0.0039750800000000, -0.0045502400000000, 0.0035787600000000 ] - [ 0.0000890800000000, 0.0000013400000000, -0.0002146500000000 ] - [ -0.0003473500000000, -0.0001769800000000, 0.0014077400000000 ] - [ 0.0010657800000000, -0.0014790900000000, -0.0007742000000000 ] - [ 0.0038013300000000, 0.0001145700000000, 0.0027186900000000 ] - [ 0.0001760000000000, -0.0003277100000000, -0.0001333800000000 ] - [ -0.0020343400000000, -0.0025101100000000, 0.0012852400000000 ] - [ 0.0003804300000000, -0.0003865000000000, -0.0002754600000000 ] - [ 0.0000232500000000, -0.0003142300000000, 0.0007691000000000 ] - [ 0.0000639100000000, -0.0004421400000000, -0.0000843700000000 ] - [ -0.0006466500000000, -0.0008024700000000, 0.0007418200000000 ] - [ -0.0001504100000000, -0.0000002500000000, 0.0000163900000000 ] - [ -0.0005670900000000, -0.0007772700000000, 0.0006239300000000 ] - [ 0.0003012100000000, -0.0001281700000000, -0.0001555900000000 ] - [ -0.0012602000000000, 0.0147515200000000, 0.0037358700000000 ] - [ -0.0000829700000000, 0.0002938300000000, -0.0000909700000000 ] - [ 0.0002639400000000, 0.0006348200000000, -0.0001315100000000 ] - [ 0.0001942300000000, 0.0005282100000000, 0.0002554400000000 ] - [ -0.0010454700000000, 0.0006636800000000, -0.0000330900000000 ] - [ -0.0000126800000000, 0.0000712000000000, 0.0000766600000000 ] - [ 0.0004291000000000, 0.0005605700000000, -0.0012237000000000 ] - [ -0.0002509600000000, 0.0005615300000000, 0.0003677500000000 ] - [ -0.0001276400000000, 0.0003256800000000, -0.0000434300000000 ] - [ -0.0000755900000000, 0.0002813600000000, -0.0000717500000000 ] - [ 0.0033025800000000, -0.0010070100000000, 0.0004339900000000 ] - [ 0.0000234900000000, 0.0002889400000000, 0.0000221500000000 ] - [ 0.0000254800000000, 0.0000056800000000, -0.0001449100000000 ] - [ -0.0003662900000000, 0.0003755600000000, -0.0004282800000000 ] - [ 0.0003126700000000, -0.0000471600000000, 0.0000180700000000 ] - [ -0.0000196600000000, -0.0000617500000000, -0.0000851400000000 ] - [ -0.0001247900000000, -0.0000557900000000, 0.0000144800000000 ] - [ 0.0000228200000000, 0.0000333600000000, 0.0000025800000000 ] - [ 0.0000937900000000, -0.0002457100000000, 0.0000622600000000 ] - [ -0.0000074000000000, 0.0000348400000000, -0.0000101200000000 ] - [ -0.0001405700000000, -0.0004035700000000, 0.0001152900000000 ] - [ 0.0000184700000000, -0.0003150500000000, -0.0000002900000000 ] - [ 0.0000573200000000, -0.0003213200000000, -0.0000357300000000 ] - [ -0.0000485600000000, -0.0003214300000000, -0.0000750100000000 ] - [ -0.0002986400000000, -0.0006301400000000, -0.0006799100000000 ] - [ -0.0001763600000000, 0.0000624700000000, 0.0000702300000000 ] - [ 0.0006246500000000, -0.0002753100000000, 0.0000849100000000 ] - [ 0.0000782100000000, 0.0001116300000000, 0.0001144600000000 ] - [ 0.0000106700000000, -0.0004669900000000, -0.0001301600000000 ] - [ -0.0000368500000000, -0.0003932500000000, 0.0001286500000000 ] - [ 0.0003641800000000, -0.0012512100000000, -0.0000623100000000 ] - [ -0.0000442000000000, -0.0003308600000000, 0.0000335000000000 ]- atom: 113 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ 0.0002323600000000, -0.0000787100000000, 0.0000898900000000 ] - [ -0.0004754300000000, 0.0004453000000000, -0.0004878900000000 ] - [ 0.0006844300000000, 0.0006714000000000, 0.0009992200000000 ] - [ -0.0001048000000000, -0.0001230100000000, -0.0001866700000000 ] - [ 0.0000718100000000, -0.0000952900000000, -0.0000282200000000 ] - [ -0.0001171500000000, 0.0000413100000000, 0.0000229400000000 ] - [ -0.0002419500000000, -0.0001088100000000, 0.0002263300000000 ] - [ 0.0000278100000000, -0.0000489200000000, -0.0001537300000000 ] - [ 0.0002105300000000, -0.0005409300000000, 0.0017001800000000 ] - [ 0.0001517200000000, 0.0000829800000000, -0.0002126100000000 ] - [ 0.0008134100000000, -0.0003803400000000, 0.0011647000000000 ] - [ 0.0004215700000000, 0.0000451400000000, -0.0004673900000000 ] - [ 0.0000044200000000, -0.0000796200000000, -0.0003578200000000 ] - [ 0.0002497500000000, 0.0001056200000000, -0.0001708700000000 ] - [ -0.0019246000000000, 0.0038909600000000, 0.0049900700000000 ] - [ 0.0000433300000000, 0.0001360100000000, 0.0000116200000000 ] - [ -0.0001400600000000, -0.0001381200000000, 0.0000357300000000 ] - [ -0.0003339800000000, -0.0002557500000000, -0.0004523000000000 ] - [ -0.0008812000000000, 0.0006692100000000, -0.0000655200000000 ] - [ 0.0004840500000000, -0.0003989100000000, -0.0000573100000000 ] - [ -0.0047402800000000, 0.0025841300000000, 0.0071633600000000 ] - [ 0.0001152600000000, 0.0001813400000000, -0.0002914800000000 ] - [ -0.0002849200000000, 0.0002659600000000, -0.0002682200000000 ] - [ 0.0003537100000000, 0.0001963900000000, 0.0000553300000000 ] - [ 0.0007788600000000, 0.0011774900000000, 0.0007966200000000 ] - [ -0.0000007300000000, 0.0001433500000000, -0.0003528100000000 ] - [ -0.0000218100000000, 0.0002468800000000, 0.0000867900000000 ] - [ -0.0002943000000000, 0.0003561600000000, 0.0003800200000000 ] - [ 0.0000346300000000, -0.0002722800000000, 0.0002178400000000 ] - [ -0.0002169500000000, -0.0001728200000000, 0.0000627800000000 ] - [ -0.0001722400000000, 0.0000516100000000, -0.0005018400000000 ] - [ 0.0001741000000000, -0.0003350900000000, -0.0002156100000000 ] - [ 0.0002271800000000, 0.0000450200000000, 0.0003622500000000 ] - [ -0.0000100600000000, 0.0000713100000000, -0.0000381700000000 ] - [ 0.0001129800000000, 0.0003785200000000, -0.0001647700000000 ] - [ 0.0000171200000000, -0.0000745400000000, -0.0004612600000000 ] - [ 0.0000400600000000, -0.0000946600000000, -0.0000508000000000 ] - [ -0.0004387200000000, 0.0004463500000000, -0.0006773800000000 ] - [ 0.0001679000000000, -0.0000741000000000, 0.0000950800000000 ] - [ -0.0000124600000000, 0.0000730900000000, 0.0001901500000000 ] - [ -0.0001284600000000, 0.0000533100000000, 0.0004349300000000 ] - [ 0.0000945100000000, -0.0000786000000000, -0.0001243400000000 ] - [ -0.0000158000000000, -0.0001354100000000, 0.0002090700000000 ] - [ -0.0000212300000000, -0.0001217400000000, -0.0001021700000000 ] - [ 0.0007927000000000, 0.0011540600000000, 0.0039099100000000 ] - [ 0.0007069100000000, -0.0004794100000000, -0.0007110000000000 ] - [ -0.0000427800000000, 0.0003198700000000, 0.0000364200000000 ] - [ 0.0000514300000000, -0.0000695700000000, -0.0004038300000000 ] - [ -0.0002174200000000, 0.0000726600000000, 0.0001832600000000 ] - [ -0.0000810700000000, -0.0000347500000000, 0.0001573300000000 ] - [ 0.0001588100000000, -0.0001487100000000, -0.0001539500000000 ] - [ 0.0000534500000000, 0.0001243700000000, -0.0003431400000000 ] - [ 0.0001647600000000, 0.0001069600000000, -0.0003103400000000 ] - [ -0.0000438900000000, 0.0001454000000000, 0.0000288600000000 ] - [ 0.0002798700000000, 0.0003228100000000, 0.0003380200000000 ] - [ -0.0001786500000000, 0.0000197300000000, 0.0001371800000000 ] - [ -0.0002720800000000, -0.0003428000000000, 0.0001870400000000 ] - [ -0.0001548100000000, -0.0004372700000000, -0.0005630800000000 ] - [ 0.0004121500000000, -0.0004711800000000, 0.0002452700000000 ] - [ 0.0000553500000000, -0.0001525300000000, 0.0001442500000000 ] - [ -0.0000073400000000, 0.0000315500000000, 0.0004073100000000 ] - [ 0.0001255000000000, 0.0002659400000000, 0.0000769900000000 ] - [ -0.0000853600000000, 0.0002444700000000, -0.0003533900000000 ] - [ -0.0001612900000000, -0.0001441900000000, -0.0000290200000000 ] - [ -0.0005176600000000, -0.0000930700000000, 0.0005133200000000 ] - [ 0.0001389700000000, 0.0002191100000000, -0.0003183500000000 ] - [ -0.0000825000000000, 0.0001251700000000, 0.0000989500000000 ] - [ -0.0001476700000000, 0.0005479800000000, 0.0002650800000000 ] - [ -0.0005706900000000, -0.0008274000000000, 0.0013643900000000 ] - [ 0.0000005400000000, -0.0003151400000000, 0.0000049200000000 ] - [ 0.0006577900000000, -0.0007424300000000, -0.0005337700000000 ] - [ -0.0000446900000000, 0.0004436700000000, -0.0005651200000000 ] - [ -0.0004854900000000, -0.0004343300000000, 0.0008316500000000 ] - [ 0.0001479900000000, 0.0000584900000000, -0.0000156700000000 ] - [ 0.0001067700000000, 0.0003064900000000, 0.0000144700000000 ] - [ -0.0000723400000000, -0.0000750000000000, -0.0002593200000000 ] - [ -0.0006889000000000, 0.0006389800000000, 0.0002137800000000 ] - [ 0.0001515700000000, -0.0000402900000000, -0.0003629400000000 ] - [ 0.0001024200000000, 0.0008002700000000, 0.0001991000000000 ] - [ 0.0006122300000000, -0.0006665900000000, -0.0004775900000000 ] - [ -0.0000729400000000, 0.0004211100000000, 0.0005934100000000 ] - [ -0.0001018800000000, 0.0000050600000000, 0.0003271200000000 ] - [ -0.0003518700000000, -0.0003461200000000, -0.0009678000000000 ] - [ 0.0002169900000000, 0.0001795800000000, 0.0000647000000000 ] - [ -0.0000163300000000, 0.0000028300000000, -0.0001156400000000 ] - [ 0.0000902700000000, -0.0000802000000000, 0.0002105500000000 ] - [ -0.0002361700000000, 0.0001531400000000, 0.0000514100000000 ] - [ 0.0004425400000000, -0.0003462300000000, 0.0003626300000000 ] - [ -0.0001801700000000, -0.0000451900000000, -0.0002963800000000 ] - [ 0.0005348300000000, -0.0004910900000000, 0.0002295100000000 ] - [ -0.0003364600000000, 0.0001183000000000, 0.0001561200000000 ] - [ 0.0015469100000000, -0.0017795900000000, 0.0013954400000000 ] - [ -0.0021995700000000, -0.0039322200000000, -0.0043729100000000 ] - [ -0.0000430600000000, 0.0003627600000000, 0.0004789300000000 ] - [ -0.0002235000000000, -0.0005861000000000, -0.0007210400000000 ] - [ 0.0001963200000000, 0.0001207000000000, 0.0001769600000000 ] - [ -0.0008041200000000, -0.0003247900000000, 0.0008222500000000 ] - [ -0.0000071300000000, 0.0001246100000000, 0.0003539300000000 ] - [ 0.0026757600000000, 0.0001788800000000, -0.0033535900000000 ] - [ -0.0002317200000000, 0.0000207900000000, 0.0001557600000000 ] - [ -0.0015189600000000, -0.0018139600000000, 0.0019829400000000 ] - [ -0.0032132800000000, 0.0031029000000000, 0.0026681900000000 ] - [ 0.0025747200000000, -0.0020029500000000, -0.0034355200000000 ] - [ -0.0004722600000000, 0.0004134800000000, 0.0005506800000000 ] - [ 0.0014835200000000, -0.0003452600000000, -0.0011353700000000 ] - [ -0.0004037400000000, 0.0002346700000000, 0.0004332000000000 ] - [ 0.0001055700000000, -0.0007449500000000, -0.0001699400000000 ] - [ -0.0005822300000000, 0.0002024300000000, 0.0005240100000000 ] - [ 0.0001155900000000, 0.0002126500000000, -0.0006327000000000 ] - [ -0.0001729600000000, 0.0001429200000000, 0.0002387000000000 ] - [ 0.0006491700000000, 0.0002259000000000, -0.0005713200000000 ] - [ 0.0000212800000000, 0.0001799900000000, 0.0001411100000000 ] - [ 0.0059958400000000, -0.0039590600000000, -0.0168676400000000 ] - [ -0.0001061300000000, 0.0001902100000000, 0.0004090200000000 ] - [ -0.0007130300000000, -0.0000716100000000, 0.0001621500000000 ] - [ 0.0002871400000000, 0.0003193800000000, 0.0006786900000000 ] - [ 0.0004490700000000, -0.0003687700000000, -0.0005767200000000 ] - [ -0.0000115600000000, -0.0002009400000000, 0.0001012000000000 ] - [ -0.0002315000000000, 0.0002991500000000, 0.0010664800000000 ] - [ -0.0005628800000000, -0.0014105300000000, 0.0009692100000000 ] - [ -0.0001556900000000, 0.0002830000000000, -0.0002037200000000 ] - [ 0.0000258400000000, 0.0002290900000000, 0.0000872100000000 ] - [ -0.0007180400000000, 0.0015634200000000, -0.0015640000000000 ] - [ 0.0000152000000000, 0.0001769300000000, 0.0003671900000000 ] - [ -0.0005183100000000, -0.0005105200000000, 0.0008931900000000 ] - [ 0.0013892700000000, 0.0003218500000000, 0.0010863600000000 ] - [ -0.0003938700000000, -0.0002327400000000, -0.0002215800000000 ] - [ -0.0000151000000000, -0.0001741200000000, -0.0000193800000000 ] - [ -0.0000266900000000, 0.0000767900000000, -0.0002135700000000 ] - [ 0.0000295200000000, 0.0001277000000000, 0.0000646000000000 ] - [ 0.0000081500000000, 0.0001593300000000, -0.0001145000000000 ] - [ -0.0000134900000000, 0.0001155500000000, 0.0001857800000000 ] - [ -0.0000054300000000, -0.0002714100000000, -0.0000856500000000 ] - [ 0.0001307600000000, -0.0001191700000000, 0.0000352500000000 ] - [ 0.0000216300000000, -0.0001836600000000, 0.0000529300000000 ] - [ -0.0000995000000000, -0.0001732300000000, 0.0000201900000000 ] - [ 0.0002872200000000, 0.0008670200000000, -0.0000606000000000 ] - [ -0.0001709200000000, 0.0000673200000000, 0.0002061100000000 ] - [ -0.0001591700000000, 0.0003687000000000, -0.0002911100000000 ] - [ 0.0000843000000000, 0.0001884500000000, 0.0002482500000000 ] - [ 0.0000658500000000, -0.0001821500000000, 0.0000882200000000 ] - [ 0.0000189700000000, -0.0001548800000000, 0.0001276700000000 ] - [ -0.0001120400000000, 0.0000694500000000, -0.0001250000000000 ] - [ -0.0000794500000000, -0.0001991500000000, -0.0000143000000000 ]- atom: 113 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ -0.0002333500000000, 0.0002575300000000, -0.0000910000000000 ] - [ 0.0004764600000000, -0.0002678200000000, 0.0004891600000000 ] - [ -0.0006811300000000, -0.0008479500000000, -0.0009940300000000 ] - [ 0.0001056600000000, -0.0000558300000000, 0.0001893200000000 ] - [ -0.0000715800000000, 0.0000581900000000, 0.0000292400000000 ] - [ 0.0001164300000000, -0.0000788100000000, -0.0000210800000000 ] - [ 0.0002387100000000, 0.0001449600000000, -0.0002273600000000 ] - [ -0.0000277900000000, 0.0000862200000000, 0.0001548900000000 ] - [ -0.0003731900000000, 0.0004294700000000, -0.0014127900000000 ] - [ -0.0003507600000000, -0.0001602700000000, 0.0006067300000000 ] - [ -0.0006028100000000, 0.0003018400000000, -0.0015619900000000 ] - [ -0.0002252500000000, -0.0001222900000000, 0.0000742200000000 ] - [ 0.0001962900000000, 0.0001558800000000, -0.0000358600000000 ] - [ -0.0000484500000000, -0.0000306500000000, -0.0002258700000000 ] - [ 0.0017226500000000, -0.0036997400000000, -0.0045783400000000 ] - [ -0.0002432900000000, -0.0000594800000000, 0.0003843800000000 ] - [ -0.0001250600000000, -0.0003121700000000, -0.0004426400000000 ] - [ 0.0000684300000000, -0.0001951300000000, 0.0000472200000000 ] - [ 0.0011370200000000, -0.0011117000000000, 0.0004648700000000 ] - [ -0.0002169400000000, -0.0000506300000000, 0.0004652200000000 ] - [ 0.0047428500000000, -0.0021010900000000, -0.0066170400000000 ] - [ 0.0001536100000000, 0.0002704900000000, 0.0007037400000000 ] - [ 0.0000201300000000, 0.0001834700000000, -0.0001348000000000 ] - [ -0.0006226700000000, 0.0002545200000000, -0.0004603600000000 ] - [ -0.0005554300000000, -0.0006898400000000, -0.0011891600000000 ] - [ 0.0002234300000000, 0.0003431100000000, -0.0000339500000000 ] - [ -0.0002005500000000, 0.0002389100000000, 0.0003028200000000 ] - [ 0.0000721900000000, 0.0001290500000000, 0.0000038500000000 ] - [ -0.0002560400000000, -0.0002120000000000, 0.0001728600000000 ] - [ -0.0000037900000000, -0.0003129300000000, 0.0003268200000000 ] - [ 0.0003954500000000, -0.0005385200000000, 0.0001167600000000 ] - [ 0.0000472700000000, -0.0001495400000000, -0.0001712900000000 ] - [ -0.0000862300000000, -0.0000466600000000, -0.0000668600000000 ] - [ 0.0001522900000000, -0.0000724500000000, 0.0003346700000000 ] - [ -0.0002434800000000, -0.0003783900000000, -0.0001325000000000 ] - [ -0.0001569300000000, 0.0000736400000000, 0.0001699200000000 ] - [ -0.0001819600000000, 0.0000977100000000, -0.0002453000000000 ] - [ 0.0002996900000000, -0.0004446600000000, 0.0003837100000000 ] - [ -0.0000275900000000, 0.0000766500000000, 0.0002009800000000 ] - [ 0.0001547700000000, -0.0000707400000000, 0.0001063500000000 ] - [ 0.0001270800000000, 0.0001259300000000, -0.0004344500000000 ] - [ -0.0000930700000000, 0.0002602200000000, 0.0001275300000000 ] - [ 0.0000144500000000, -0.0000418700000000, -0.0002101600000000 ] - [ 0.0000219500000000, -0.0000563300000000, 0.0001057300000000 ] - [ -0.0007401300000000, -0.0012192800000000, -0.0037372300000000 ] - [ -0.0007132100000000, 0.0004464900000000, 0.0007176600000000 ] - [ 0.0000488700000000, -0.0002854300000000, -0.0000407400000000 ] - [ -0.0000546600000000, 0.0001070100000000, 0.0004056400000000 ] - [ 0.0000189100000000, -0.0001514900000000, 0.0002110900000000 ] - [ -0.0001190200000000, -0.0000415400000000, 0.0002377900000000 ] - [ 0.0000386000000000, 0.0000704000000000, -0.0002388800000000 ] - [ 0.0001471200000000, -0.0002007500000000, -0.0000521800000000 ] - [ 0.0000356500000000, -0.0000304700000000, -0.0000833600000000 ] - [ 0.0002450200000000, -0.0000685400000000, -0.0004256600000000 ] - [ -0.0004789900000000, -0.0002454400000000, 0.0000561900000000 ] - [ -0.0000209700000000, 0.0000571700000000, 0.0002591600000000 ] - [ 0.0000056100000000, -0.0001057800000000, -0.0005933600000000 ] - [ -0.0001127500000000, -0.0000120800000000, 0.0001578500000000 ] - [ -0.0001523000000000, 0.0000271200000000, 0.0001565000000000 ] - [ 0.0002116700000000, -0.0002977500000000, 0.0002627700000000 ] - [ 0.0002765100000000, 0.0004216900000000, 0.0000003100000000 ] - [ 0.0001398000000000, 0.0001833700000000, 0.0003288800000000 ] - [ -0.0001834600000000, 0.0002086700000000, -0.0000522700000000 ] - [ -0.0001045300000000, 0.0005973600000000, -0.0003768600000000 ] - [ 0.0007421900000000, 0.0005805300000000, -0.0009071300000000 ] - [ 0.0000809100000000, 0.0002650700000000, -0.0000714200000000 ] - [ -0.0001399700000000, 0.0003589400000000, 0.0002898700000000 ] - [ -0.0000736800000000, -0.0000644200000000, 0.0001201800000000 ] - [ 0.0003502100000000, 0.0003359400000000, -0.0009689300000000 ] - [ -0.0002217100000000, -0.0001677600000000, 0.0003851600000000 ] - [ -0.0004433200000000, 0.0002642100000000, 0.0001485200000000 ] - [ 0.0002647100000000, -0.0009328400000000, 0.0001794300000000 ] - [ 0.0006277000000000, 0.0004340100000000, -0.0005388800000000 ] - [ -0.0000079400000000, -0.0000630000000000, 0.0003147400000000 ] - [ -0.0002462400000000, -0.0003096400000000, -0.0003114200000000 ] - [ -0.0000695100000000, 0.0000741800000000, -0.0000337300000000 ] - [ 0.0005474100000000, -0.0006315200000000, -0.0005075300000000 ] - [ -0.0002967800000000, 0.0000415000000000, 0.0000707300000000 ] - [ 0.0000390400000000, -0.0007934300000000, 0.0000968600000000 ] - [ -0.0004776500000000, 0.0006762400000000, 0.0007797900000000 ] - [ 0.0000344100000000, -0.0003114600000000, -0.0003697600000000 ] - [ 0.0000602600000000, 0.0000975400000000, -0.0001178700000000 ] - [ 0.0003957200000000, 0.0004467500000000, 0.0007575400000000 ] - [ -0.0001778100000000, -0.0000796500000000, -0.0002772800000000 ] - [ 0.0000582100000000, -0.0001062700000000, -0.0000957500000000 ] - [ -0.0000491300000000, -0.0000223800000000, -0.0004232900000000 ] - [ 0.0001952300000000, -0.0002554400000000, 0.0001601400000000 ] - [ -0.0004851200000000, 0.0002458400000000, -0.0001534900000000 ] - [ 0.0004579800000000, -0.0002114200000000, 0.0001473900000000 ] - [ -0.0002604100000000, 0.0002360900000000, -0.0003803700000000 ] - [ 0.0000605000000000, -0.0003733200000000, -0.0000086500000000 ] - [ -0.0018293100000000, 0.0015343500000000, -0.0012635200000000 ] - [ 0.0019331000000000, 0.0041869200000000, 0.0045226400000000 ] - [ -0.0002364300000000, -0.0001113500000000, -0.0003343300000000 ] - [ 0.0005009300000000, 0.0008406100000000, 0.0005742900000000 ] - [ 0.0000794900000000, 0.0001321600000000, -0.0003277400000000 ] - [ 0.0007630900000000, 0.0004285000000000, -0.0006099200000000 ] - [ -0.0000362300000000, -0.0000180000000000, -0.0001407000000000 ] - [ -0.0026599800000000, -0.0000972000000000, 0.0031710100000000 ] - [ 0.0002754000000000, 0.0000823000000000, -0.0003685300000000 ] - [ 0.0015709300000000, 0.0017087800000000, -0.0021798300000000 ] - [ 0.0033008300000000, -0.0032497800000000, -0.0029282900000000 ] - [ -0.0026251800000000, 0.0019001000000000, 0.0036128000000000 ] - [ 0.0004336900000000, -0.0005208800000000, -0.0003428600000000 ] - [ -0.0011982800000000, 0.0000959100000000, 0.0009756000000000 ] - [ 0.0006872100000000, -0.0004915500000000, -0.0005833200000000 ] - [ -0.0003861600000000, 0.0004892200000000, 0.0003190100000000 ] - [ 0.0003111100000000, -0.0004633800000000, -0.0003790000000000 ] - [ -0.0003937400000000, 0.0000405400000000, 0.0007876800000000 ] - [ -0.0001029200000000, 0.0001130900000000, -0.0000908400000000 ] - [ -0.0003762400000000, 0.0000289400000000, 0.0004259100000000 ] - [ 0.0002561900000000, 0.0000756300000000, -0.0002929200000000 ] - [ -0.0058773700000000, 0.0041669100000000, 0.0166368700000000 ] - [ 0.0000772300000000, 0.0000925700000000, -0.0004549700000000 ] - [ 0.0007487800000000, 0.0003568700000000, -0.0001163200000000 ] - [ -0.0002593900000000, -0.0000386900000000, -0.0006383500000000 ] - [ -0.0004261300000000, 0.0000830200000000, 0.0006185700000000 ] - [ 0.0000408300000000, -0.0000807500000000, -0.0000574000000000 ] - [ 0.0001999600000000, -0.0005766500000000, -0.0011088400000000 ] - [ 0.0005373600000000, 0.0011470300000000, -0.0010244400000000 ] - [ 0.0000672600000000, 0.0001303900000000, 0.0000863700000000 ] - [ -0.0001147000000000, 0.0001834000000000, -0.0002074300000000 ] - [ 0.0008199600000000, -0.0011567600000000, 0.0016850500000000 ] - [ 0.0000723500000000, 0.0002363000000000, -0.0002489900000000 ] - [ 0.0006050800000000, 0.0000994500000000, -0.0007788500000000 ] - [ -0.0013210200000000, -0.0007379400000000, -0.0009768600000000 ] - [ 0.0003035400000000, -0.0001793700000000, 0.0001018200000000 ] - [ -0.0000722900000000, -0.0002387600000000, -0.0001000700000000 ] - [ -0.0000027200000000, 0.0002061400000000, 0.0001716400000000 ] - [ -0.0000589700000000, 0.0001551400000000, -0.0001086100000000 ] - [ 0.0000211100000000, 0.0001233800000000, 0.0001602100000000 ] - [ 0.0000429800000000, 0.0001669600000000, -0.0001428700000000 ] - [ 0.0000353700000000, -0.0000113900000000, 0.0001289600000000 ] - [ -0.0001027900000000, -0.0001639600000000, 0.0000091500000000 ] - [ -0.0000513800000000, -0.0000988300000000, -0.0000970500000000 ] - [ 0.0000713000000000, -0.0001088100000000, -0.0000633000000000 ] - [ -0.0003786300000000, -0.0004588000000000, -0.0000543800000000 ] - [ 0.0000831600000000, 0.0003453000000000, -0.0003267400000000 ] - [ 0.0002455600000000, 0.0000442100000000, 0.0004127800000000 ] - [ 0.0000039300000000, 0.0002238100000000, -0.0001299500000000 ] - [ 0.0000217900000000, -0.0002304900000000, 0.0000306300000000 ] - [ 0.0000692700000000, -0.0002585800000000, -0.0000078200000000 ] - [ 0.0000271100000000, -0.0004875600000000, 0.0000064100000000 ] - [ -0.0000084700000000, -0.0002137300000000, -0.0001046500000000 ]- atom: 121 displacement: [ 0.0099959744437910, 0.0000000000000000, -0.0002837162650900 ] forces: - [ 0.0004267900000000, 0.0006754000000000, 0.0000609700000000 ] - [ -0.0002773400000000, 0.0004359900000000, 0.0006986700000000 ] - [ 0.0001106100000000, 0.0003570400000000, -0.0004136700000000 ] - [ 0.0000154000000000, -0.0000847100000000, 0.0000326500000000 ] - [ 0.0001163900000000, -0.0003527300000000, -0.0005043000000000 ] - [ -0.0002345800000000, -0.0005153900000000, 0.0006046800000000 ] - [ 0.0001525300000000, 0.0000220400000000, 0.0000035900000000 ] - [ -0.0000230800000000, -0.0000135200000000, 0.0000671300000000 ] - [ -0.0003742200000000, -0.0001207000000000, 0.0002385100000000 ] - [ -0.0001766200000000, -0.0000386600000000, 0.0001809200000000 ] - [ -0.0000293200000000, -0.0002517700000000, -0.0000486000000000 ] - [ 0.0002019600000000, -0.0002700400000000, -0.0002519600000000 ] - [ 0.0001264400000000, 0.0000589800000000, -0.0001476400000000 ] - [ 0.0093942200000000, 0.0019511700000000, 0.0064781400000000 ] - [ -0.0011459000000000, -0.0001121100000000, 0.0004631700000000 ] - [ -0.0003098300000000, 0.0000553600000000, -0.0000278200000000 ] - [ 0.0022025900000000, 0.0012735200000000, -0.0001548300000000 ] - [ 0.0004373800000000, 0.0001549200000000, 0.0000532400000000 ] - [ -0.0008125300000000, 0.0002183100000000, 0.0003713100000000 ] - [ 0.0001336900000000, -0.0001787900000000, 0.0002707400000000 ] - [ -0.0002154000000000, 0.0003453300000000, -0.0001222900000000 ] - [ -0.0000175500000000, 0.0002321400000000, 0.0002453300000000 ] - [ -0.0000670300000000, 0.0002408900000000, -0.0000735100000000 ] - [ 0.0017797100000000, 0.0004693900000000, 0.0007563600000000 ] - [ 0.0002126500000000, 0.0007386600000000, -0.0005649300000000 ] - [ 0.0001385300000000, 0.0002457900000000, -0.0001670700000000 ] - [ -0.0000387900000000, 0.0002031300000000, 0.0002227900000000 ] - [ 0.0003182400000000, 0.0001612100000000, 0.0007618700000000 ] - [ -0.0002888900000000, 0.0003852800000000, 0.0013890700000000 ] - [ -0.0002996500000000, -0.0003210700000000, 0.0005419500000000 ] - [ 0.0005808200000000, 0.0001434800000000, 0.0008714800000000 ] - [ 0.0002125100000000, -0.0001977300000000, -0.0002488500000000 ] - [ 0.0005214000000000, 0.0001701600000000, 0.0003304700000000 ] - [ 0.0001133200000000, -0.0000473300000000, 0.0001624000000000 ] - [ -0.0004216400000000, 0.0004799300000000, -0.0000759400000000 ] - [ -0.0000437900000000, -0.0000239200000000, -0.0001657300000000 ] - [ -0.0002692400000000, 0.0001426600000000, -0.0005864500000000 ] - [ -0.0007296000000000, -0.0000148200000000, 0.0004787000000000 ] - [ 0.0007480300000000, 0.0003680000000000, 0.0001425700000000 ] - [ -0.0001109500000000, -0.0000973900000000, 0.0010924800000000 ] - [ -0.0000587700000000, 0.0000712500000000, -0.0000196700000000 ] - [ -0.0000220500000000, 0.0000640900000000, -0.0000889800000000 ] - [ -0.0004162800000000, 0.0002474500000000, 0.0000901600000000 ] - [ 0.0000222600000000, -0.0000043400000000, -0.0000614700000000 ] - [ -0.0001435900000000, -0.0000353900000000, 0.0000942200000000 ] - [ 0.0000502300000000, -0.0001730800000000, -0.0001979100000000 ] - [ -0.0010349000000000, 0.0005224900000000, 0.0009236500000000 ] - [ -0.0000027900000000, 0.0000979500000000, -0.0002000400000000 ] - [ 0.0005193100000000, -0.0015821700000000, 0.0005598400000000 ] - [ 0.0000393600000000, 0.0000239000000000, 0.0002683300000000 ] - [ -0.0000784600000000, -0.0002302200000000, -0.0003068100000000 ] - [ -0.0002235900000000, -0.0002302500000000, -0.0000524800000000 ] - [ 0.0001009600000000, -0.0000000300000000, -0.0002376500000000 ] - [ 0.0000690800000000, -0.0000880100000000, -0.0000861400000000 ] - [ 0.0001248500000000, -0.0000498700000000, 0.0001728500000000 ] - [ -0.0001127900000000, -0.0000726000000000, 0.0002618800000000 ] - [ -0.0002959200000000, -0.0002453900000000, -0.0002149200000000 ] - [ -0.0002359800000000, -0.0001937700000000, -0.0002678900000000 ] - [ 0.0003343800000000, -0.0000115300000000, 0.0003308200000000 ] - [ 0.0001683800000000, -0.0002288000000000, 0.0002621900000000 ] - [ 0.0004261000000000, 0.0007477400000000, 0.0007078700000000 ] - [ 0.0003691900000000, 0.0002436100000000, 0.0001075600000000 ] - [ -0.0002178300000000, 0.0002488900000000, -0.0002211200000000 ] - [ -0.0007876100000000, 0.0006494400000000, -0.0002523100000000 ] - [ -0.0002265500000000, 0.0003413500000000, 0.0000823900000000 ] - [ 0.0002393700000000, 0.0002890500000000, -0.0001951000000000 ] - [ -0.0001113100000000, 0.0002837200000000, 0.0001705800000000 ] - [ -0.0011241000000000, 0.0012435000000000, 0.0008241000000000 ] - [ -0.0002089900000000, -0.0002998800000000, 0.0002139900000000 ] - [ -0.0001020600000000, -0.0003368300000000, 0.0001162800000000 ] - [ 0.0000863200000000, -0.0005065700000000, -0.0002615600000000 ] - [ 0.0000711600000000, -0.0002387600000000, -0.0001696400000000 ] - [ -0.0003590800000000, 0.0001210200000000, 0.0003591700000000 ] - [ 0.0000408000000000, 0.0000593600000000, 0.0000390000000000 ] - [ -0.0011888300000000, 0.0007455200000000, 0.0006162200000000 ] - [ 0.0000204200000000, 0.0000560400000000, -0.0001104300000000 ] - [ -0.0001469000000000, -0.0000745800000000, -0.0000435400000000 ] - [ -0.0000041500000000, -0.0000492000000000, -0.0001471700000000 ] - [ 0.0000000200000000, -0.0000169000000000, 0.0001357200000000 ] - [ -0.0000148400000000, -0.0000532700000000, 0.0001072300000000 ] - [ -0.0002276200000000, -0.0002832300000000, -0.0002703000000000 ] - [ -0.0001081200000000, 0.0001562000000000, 0.0001295400000000 ] - [ -0.0004100900000000, -0.0001318700000000, -0.0003009500000000 ] - [ 0.0000304000000000, 0.0001224200000000, -0.0001867500000000 ] - [ -0.0004578300000000, -0.0002518300000000, 0.0000600800000000 ] - [ 0.0003129100000000, 0.0038261200000000, -0.0025476800000000 ] - [ 0.0013551200000000, 0.0010520500000000, 0.0007615900000000 ] - [ 0.0002683900000000, 0.0001169100000000, -0.0004616400000000 ] - [ -0.0027132200000000, -0.0026601400000000, -0.0002427200000000 ] - [ 0.0004750300000000, -0.0007942900000000, -0.0016904600000000 ] - [ -0.0003155900000000, -0.0005697400000000, 0.0002879600000000 ] - [ 0.0022277400000000, -0.0019496300000000, -0.0011102500000000 ] - [ 0.0014077300000000, -0.0008323000000000, 0.0018085900000000 ] - [ -0.0000712900000000, 0.0001354800000000, 0.0000240300000000 ] - [ -0.0018897400000000, -0.0011549300000000, -0.0020928500000000 ] - [ 0.0000454500000000, 0.0001366400000000, -0.0001536000000000 ] - [ 0.0048019600000000, -0.0037998100000000, -0.0034396100000000 ] - [ -0.0001064100000000, -0.0000927800000000, 0.0001361500000000 ] - [ 0.0009204300000000, -0.0005375400000000, -0.0006931800000000 ] - [ 0.0000608900000000, -0.0000241500000000, 0.0000680800000000 ] - [ 0.0001348400000000, 0.0000133000000000, -0.0001120900000000 ] - [ 0.0003126400000000, -0.0000008900000000, -0.0001550000000000 ] - [ 0.0002556100000000, 0.0001363600000000, -0.0000243700000000 ] - [ -0.0002308500000000, 0.0001141000000000, 0.0001830800000000 ] - [ 0.0003105900000000, -0.0000979700000000, -0.0000816400000000 ] - [ 0.0002248100000000, -0.0000768900000000, 0.0000196300000000 ] - [ -0.0000542700000000, -0.0000596000000000, -0.0000185700000000 ] - [ -0.0003218400000000, -0.0000443800000000, 0.0001763800000000 ] - [ 0.0009709500000000, -0.0007650200000000, -0.0011228800000000 ] - [ -0.0004471700000000, -0.0000049300000000, 0.0001038400000000 ] - [ 0.0010830100000000, -0.0003376500000000, -0.0007072400000000 ] - [ 0.0001702700000000, 0.0000626800000000, 0.0000199700000000 ] - [ 0.0003066500000000, 0.0002254600000000, -0.0000454700000000 ] - [ 0.0000593400000000, 0.0001726600000000, 0.0000662000000000 ] - [ 0.0011975300000000, 0.0033893800000000, -0.0004038900000000 ] - [ -0.0000028500000000, 0.0001221400000000, -0.0000211800000000 ] - [ 0.0003293500000000, -0.0001289500000000, -0.0004994900000000 ] - [ -0.0007622900000000, 0.0002540700000000, 0.0011826500000000 ] - [ 0.0000846000000000, -0.0001161600000000, 0.0000332200000000 ] - [ 0.0010125400000000, 0.0002134500000000, -0.0001010000000000 ] - [ -0.0184091900000000, -0.0037420700000000, -0.0052745400000000 ] - [ -0.0001263900000000, 0.0001403600000000, -0.0001873500000000 ] - [ 0.0011462800000000, -0.0000386600000000, 0.0007574400000000 ] - [ 0.0002869400000000, 0.0001170100000000, -0.0000181400000000 ] - [ 0.0000624600000000, -0.0001810200000000, 0.0002033000000000 ] - [ 0.0003122400000000, -0.0003621700000000, -0.0000408000000000 ] - [ -0.0002947500000000, 0.0002610100000000, -0.0003462800000000 ] - [ -0.0002849600000000, -0.0003007300000000, 0.0000506200000000 ] - [ -0.0005427500000000, 0.0003765100000000, 0.0001785400000000 ] - [ -0.0001139600000000, 0.0002772800000000, -0.0001888700000000 ] - [ 0.0004855300000000, 0.0007211400000000, -0.0000492200000000 ] - [ 0.0000889800000000, 0.0001742700000000, 0.0000781100000000 ] - [ 0.0000602000000000, -0.0001129000000000, 0.0000566000000000 ] - [ 0.0001401300000000, -0.0000577500000000, 0.0000283700000000 ] - [ -0.0001118800000000, -0.0001438600000000, -0.0000867100000000 ] - [ -0.0001325700000000, 0.0002673800000000, -0.0001245700000000 ] - [ 0.0001624500000000, 0.0000859400000000, -0.0000973900000000 ] - [ 0.0000025800000000, 0.0002237800000000, -0.0000139300000000 ] - [ -0.0000867000000000, 0.0001355100000000, 0.0000752000000000 ] - [ -0.0000272200000000, 0.0002509000000000, 0.0000171700000000 ] - [ 0.0000247000000000, -0.0002092600000000, -0.0001005900000000 ] - [ -0.0009336600000000, -0.0010965500000000, 0.0001418500000000 ] - [ 0.0002119300000000, -0.0002690900000000, -0.0000542300000000 ] - [ 0.0002178300000000, -0.0002748300000000, 0.0001424500000000 ]- atom: 121 displacement: [ -0.0099959744437910, 0.0000000000000000, 0.0002837162650900 ] forces: - [ -0.0004276700000000, -0.0005008600000000, -0.0000618300000000 ] - [ 0.0002793900000000, -0.0002574300000000, -0.0006892900000000 ] - [ -0.0001007700000000, -0.0005453500000000, 0.0004289400000000 ] - [ -0.0000138400000000, -0.0000915800000000, -0.0000300900000000 ] - [ -0.0001160600000000, 0.0003182400000000, 0.0005082900000000 ] - [ 0.0002373200000000, 0.0004730800000000, -0.0005977000000000 ] - [ -0.0001514500000000, 0.0000150200000000, -0.0000044100000000 ] - [ 0.0000237500000000, 0.0000507900000000, -0.0000675300000000 ] - [ 0.0001759000000000, 0.0000410700000000, 0.0001522900000000 ] - [ -0.0000217000000000, -0.0000403900000000, 0.0002102900000000 ] - [ 0.0002279900000000, 0.0001737100000000, -0.0003443200000000 ] - [ -0.0000030200000000, 0.0001938000000000, -0.0001428000000000 ] - [ 0.0000717600000000, 0.0000201400000000, -0.0002442500000000 ] - [ -0.0096641300000000, -0.0019051800000000, -0.0070942900000000 ] - [ 0.0009443500000000, 0.0001895500000000, -0.0000705400000000 ] - [ 0.0001109200000000, 0.0000234700000000, 0.0004205700000000 ] - [ -0.0024967100000000, -0.0017515400000000, -0.0001894200000000 ] - [ -0.0007024600000000, -0.0006041400000000, -0.0004564900000000 ] - [ 0.0010709700000000, -0.0006632900000000, 0.0000326400000000 ] - [ 0.0001316700000000, -0.0002717300000000, 0.0001347700000000 ] - [ 0.0004819400000000, 0.0001066700000000, 0.0005273700000000 ] - [ 0.0002814000000000, 0.0002167600000000, 0.0001590000000000 ] - [ -0.0001974600000000, 0.0002085000000000, -0.0003286700000000 ] - [ -0.0020353700000000, -0.0000152200000000, -0.0011529400000000 ] - [ 0.0000086300000000, -0.0002503500000000, 0.0001747800000000 ] - [ 0.0000845600000000, 0.0002414200000000, -0.0002225700000000 ] - [ -0.0001817300000000, 0.0002823400000000, 0.0001660300000000 ] - [ -0.0005362400000000, 0.0003236600000000, -0.0003694000000000 ] - [ 0.0000646200000000, -0.0008615900000000, -0.0009970500000000 ] - [ 0.0000833100000000, -0.0001655300000000, -0.0001526400000000 ] - [ -0.0003013700000000, -0.0006102400000000, -0.0012541300000000 ] - [ 0.0000091600000000, -0.0002883700000000, -0.0001385200000000 ] - [ -0.0003761800000000, -0.0001748500000000, -0.0000319600000000 ] - [ 0.0000273400000000, 0.0000448000000000, 0.0001318800000000 ] - [ 0.0002837100000000, -0.0004829800000000, -0.0002181600000000 ] - [ -0.0000967700000000, 0.0000224600000000, -0.0001280500000000 ] - [ 0.0001339300000000, -0.0001408000000000, 0.0002938200000000 ] - [ 0.0005845900000000, 0.0000153800000000, -0.0007664000000000 ] - [ -0.0006063700000000, -0.0003652600000000, 0.0001530700000000 ] - [ 0.0002649900000000, 0.0000950400000000, -0.0007928700000000 ] - [ 0.0000574900000000, 0.0001044800000000, 0.0000171900000000 ] - [ 0.0000223800000000, 0.0001133100000000, 0.0000895600000000 ] - [ 0.0004159300000000, -0.0004227500000000, -0.0000901700000000 ] - [ -0.0000208500000000, -0.0001732600000000, 0.0000647200000000 ] - [ 0.0001425600000000, -0.0000023600000000, -0.0000928300000000 ] - [ -0.0000530100000000, 0.0001353400000000, 0.0002024800000000 ] - [ 0.0010425800000000, -0.0004879400000000, -0.0009320200000000 ] - [ 0.0000030800000000, -0.0000599200000000, 0.0001997600000000 ] - [ -0.0007093300000000, 0.0015026100000000, -0.0001703000000000 ] - [ -0.0002392600000000, -0.0001013000000000, 0.0001247200000000 ] - [ 0.0002800100000000, 0.0001532400000000, -0.0000869300000000 ] - [ 0.0004233200000000, 0.0001519000000000, -0.0003396700000000 ] - [ 0.0000985700000000, 0.0000782500000000, -0.0001544000000000 ] - [ 0.0001313600000000, 0.0001634800000000, -0.0003059600000000 ] - [ -0.0003239000000000, 0.0001257600000000, 0.0002214600000000 ] - [ -0.0000860700000000, 0.0001501900000000, 0.0001308400000000 ] - [ 0.0000321300000000, -0.0002041100000000, -0.0001888000000000 ] - [ -0.0000276200000000, -0.0002555600000000, -0.0001347800000000 ] - [ -0.0000714700000000, -0.0004383100000000, 0.0000712400000000 ] - [ 0.0000964400000000, -0.0002218400000000, 0.0001421900000000 ] - [ -0.0001628000000000, -0.0003018400000000, -0.0003073900000000 ] - [ -0.0001073500000000, 0.0002042200000000, 0.0002962900000000 ] - [ -0.0000470700000000, 0.0002014600000000, -0.0001834300000000 ] - [ 0.0005243000000000, -0.0002018300000000, -0.0001504500000000 ] - [ 0.0004479800000000, 0.0001458000000000, -0.0004699600000000 ] - [ -0.0000177400000000, 0.0001987600000000, -0.0001953100000000 ] - [ -0.0001092800000000, 0.0002019100000000, 0.0002187000000000 ] - [ 0.0009069000000000, -0.0007626800000000, -0.0004361900000000 ] - [ -0.0000136400000000, -0.0001879000000000, 0.0001759900000000 ] - [ -0.0001208700000000, -0.0001506400000000, 0.0002732700000000 ] - [ 0.0001346900000000, 0.0000221600000000, -0.0001289500000000 ] - [ 0.0001488500000000, -0.0002466500000000, -0.0002197400000000 ] - [ 0.0004985100000000, -0.0001220900000000, -0.0000662500000000 ] - [ 0.0000989400000000, -0.0000620700000000, 0.0002574200000000 ] - [ 0.0010601500000000, -0.0007468200000000, -0.0009105500000000 ] - [ -0.0001628400000000, -0.0000565100000000, -0.0001825800000000 ] - [ 0.0000077200000000, 0.0000765000000000, -0.0002516700000000 ] - [ -0.0001384900000000, 0.0000474000000000, -0.0001449900000000 ] - [ 0.0001411300000000, 0.0000186100000000, 0.0001590700000000 ] - [ 0.0001570200000000, 0.0000563700000000, 0.0001891000000000 ] - [ 0.0001816800000000, 0.0003899800000000, 0.0004805500000000 ] - [ 0.0000664400000000, -0.0000532200000000, 0.0000804200000000 ] - [ 0.0004470600000000, 0.0002341200000000, 0.0000872700000000 ] - [ 0.0000102700000000, -0.0000201400000000, -0.0000246400000000 ] - [ 0.0004995000000000, 0.0001481800000000, -0.0002729000000000 ] - [ -0.0002965400000000, -0.0038963200000000, 0.0023038100000000 ] - [ -0.0014063200000000, -0.0011638900000000, -0.0005526100000000 ] - [ -0.0003136700000000, -0.0002181300000000, 0.0006680400000000 ] - [ 0.0029841400000000, 0.0023985700000000, 0.0000754900000000 ] - [ -0.0002094900000000, 0.0005507200000000, 0.0015389100000000 ] - [ 0.0000389400000000, 0.0003147600000000, -0.0001423500000000 ] - [ -0.0024803500000000, 0.0016759900000000, 0.0012452300000000 ] - [ -0.0016763200000000, 0.0010867800000000, -0.0016578900000000 ] - [ -0.0002049100000000, 0.0001202000000000, 0.0001260700000000 ] - [ 0.0021313100000000, 0.0014289000000000, 0.0019203900000000 ] - [ 0.0002285900000000, 0.0001195100000000, 0.0000024300000000 ] - [ -0.0049018500000000, 0.0039197400000000, 0.0036539200000000 ] - [ 0.0000646300000000, 0.0001968400000000, 0.0000761900000000 ] - [ -0.0008780400000000, 0.0006434500000000, 0.0004852600000000 ] - [ -0.0000176700000000, 0.0001266600000000, -0.0002820200000000 ] - [ -0.0000904100000000, -0.0001167200000000, -0.0001003800000000 ] - [ -0.0002712600000000, -0.0001014900000000, -0.0000562500000000 ] - [ -0.0002984700000000, -0.0002388200000000, 0.0002369400000000 ] - [ 0.0001926800000000, -0.0002154300000000, 0.0000302600000000 ] - [ -0.0000339400000000, -0.0001579900000000, -0.0000665500000000 ] - [ 0.0000515400000000, -0.0001790600000000, -0.0001709600000000 ] - [ -0.0002222600000000, -0.0001969900000000, 0.0001657500000000 ] - [ 0.0000501200000000, -0.0002108600000000, -0.0000283300000000 ] - [ -0.0012590400000000, 0.0010219900000000, 0.0012741100000000 ] - [ 0.0001716900000000, 0.0002617500000000, 0.0000437900000000 ] - [ -0.0008066200000000, 0.0005946100000000, 0.0005613800000000 ] - [ 0.0001069800000000, 0.0001937800000000, -0.0001678400000000 ] - [ -0.0003361200000000, 0.0000560300000000, 0.0000024200000000 ] - [ -0.0000888200000000, 0.0001096000000000, -0.0001108700000000 ] - [ -0.0011716000000000, -0.0031377500000000, 0.0004494300000000 ] - [ 0.0000331500000000, 0.0001605400000000, 0.0000656400000000 ] - [ -0.0002931200000000, -0.0001571100000000, 0.0005437100000000 ] - [ 0.0007974900000000, -0.0005419600000000, -0.0011405800000000 ] - [ -0.0001147700000000, -0.0001664500000000, -0.0000772600000000 ] - [ -0.0010369300000000, -0.0004955700000000, 0.0000549200000000 ] - [ 0.0187904900000000, 0.0041870300000000, 0.0053337300000000 ] - [ 0.0000381900000000, 0.0002715500000000, 0.0000670100000000 ] - [ -0.0010527100000000, 0.0004480000000000, -0.0006310900000000 ] - [ -0.0001989100000000, 0.0002945100000000, 0.0001361100000000 ] - [ 0.0000253200000000, -0.0002309600000000, -0.0000835100000000 ] - [ -0.0002244300000000, -0.0000519900000000, 0.0001596300000000 ] - [ 0.0002054000000000, -0.0006675500000000, 0.0002252700000000 ] - [ 0.0001929300000000, -0.0001108200000000, -0.0001635700000000 ] - [ 0.0005148900000000, -0.0000955100000000, -0.0002234200000000 ] - [ 0.0000839500000000, 0.0000055100000000, 0.0001439600000000 ] - [ -0.0004547300000000, -0.0004340600000000, 0.0000934300000000 ] - [ -0.0000592500000000, 0.0001082200000000, -0.0000346000000000 ] - [ -0.0000306300000000, -0.0001702000000000, -0.0000124400000000 ] - [ -0.0001105400000000, -0.0002244100000000, 0.0000157300000000 ] - [ 0.0000826700000000, -0.0001385800000000, 0.0000426600000000 ] - [ 0.0001030700000000, -0.0005496300000000, 0.0000802900000000 ] - [ -0.0002507100000000, 0.0003268700000000, -0.0000216400000000 ] - [ -0.0000906000000000, 0.0001884700000000, -0.0001058100000000 ] - [ 0.0001753900000000, 0.0002776800000000, 0.0000446300000000 ] - [ 0.0001149300000000, 0.0001616500000000, 0.0001026700000000 ] - [ 0.0000636300000000, -0.0002034100000000, 0.0002207700000000 ] - [ 0.0010266500000000, 0.0006871900000000, -0.0000210900000000 ] - [ -0.0003004100000000, -0.0001425000000000, -0.0000647600000000 ] - [ -0.0003056100000000, -0.0001364100000000, -0.0002629200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002580700000000, 0.0007158300000000, -0.0001121300000000 ] - [ -0.0000064400000000, 0.0007347600000000, 0.0001154500000000 ] - [ 0.0001408800000000, -0.0009926700000000, 0.0006994200000000 ] - [ 0.0000381500000000, -0.0000570700000000, 0.0000068700000000 ] - [ 0.0000677300000000, -0.0002884900000000, -0.0004656600000000 ] - [ -0.0004077900000000, -0.0000091800000000, 0.0003934400000000 ] - [ 0.0001135200000000, -0.0003898200000000, 0.0000909700000000 ] - [ -0.0000293600000000, -0.0000603200000000, 0.0000242600000000 ] - [ -0.0002837700000000, -0.0000412600000000, 0.0001866200000000 ] - [ -0.0000917100000000, -0.0000311400000000, 0.0002301300000000 ] - [ -0.0000642600000000, -0.0001477600000000, -0.0000962200000000 ] - [ -0.0001134600000000, -0.0001240800000000, -0.0003412000000000 ] - [ 0.0000956300000000, 0.0001656100000000, -0.0001745800000000 ] - [ 0.0004735900000000, 0.0012882700000000, 0.0009102800000000 ] - [ -0.0002121600000000, 0.0002060200000000, 0.0001552900000000 ] - [ -0.0001598700000000, 0.0001279700000000, 0.0001969200000000 ] - [ 0.0014326700000000, 0.0019003200000000, -0.0006102700000000 ] - [ 0.0001318500000000, 0.0004876700000000, -0.0000620700000000 ] - [ -0.0001165500000000, 0.0001986700000000, 0.0001745000000000 ] - [ 0.0001148800000000, -0.0000774100000000, 0.0002363300000000 ] - [ 0.0007161800000000, 0.0005416600000000, 0.0007294000000000 ] - [ 0.0001476300000000, 0.0003106000000000, 0.0001587000000000 ] - [ -0.0001441600000000, 0.0003050300000000, -0.0000705800000000 ] - [ 0.0021565900000000, 0.0080470700000000, 0.0058819500000000 ] - [ 0.0002397800000000, -0.0001403100000000, 0.0000795800000000 ] - [ 0.0002379700000000, 0.0002141100000000, -0.0002136300000000 ] - [ -0.0000337400000000, 0.0002036900000000, 0.0001747900000000 ] - [ 0.0007429500000000, -0.0008524700000000, 0.0007109400000000 ] - [ 0.0003834500000000, -0.0000765600000000, 0.0017095400000000 ] - [ -0.0004412400000000, -0.0000651100000000, 0.0005147900000000 ] - [ -0.0002546500000000, 0.0004568500000000, 0.0003786900000000 ] - [ 0.0001590800000000, -0.0001580500000000, -0.0002459100000000 ] - [ 0.0004828600000000, -0.0009876100000000, 0.0010608500000000 ] - [ 0.0001984100000000, -0.0000710400000000, -0.0000530600000000 ] - [ 0.0002332600000000, -0.0004238100000000, -0.0001262900000000 ] - [ -0.0000409800000000, -0.0000242600000000, -0.0001595900000000 ] - [ -0.0003810900000000, 0.0001348500000000, -0.0005987400000000 ] - [ -0.0003496400000000, 0.0002121300000000, 0.0000901000000000 ] - [ 0.0006595500000000, 0.0003590700000000, 0.0000957300000000 ] - [ -0.0007076100000000, 0.0011670300000000, 0.0003554400000000 ] - [ -0.0000013600000000, 0.0000096500000000, 0.0000014600000000 ] - [ -0.0000162400000000, -0.0001225600000000, 0.0000492900000000 ] - [ 0.0002944300000000, -0.0003022600000000, 0.0000591100000000 ] - [ 0.0000397500000000, -0.0000634200000000, 0.0000351400000000 ] - [ -0.0000807500000000, -0.0001030700000000, 0.0000807300000000 ] - [ -0.0001207100000000, -0.0002461100000000, -0.0001800400000000 ] - [ 0.0000906200000000, 0.0002391300000000, 0.0001087000000000 ] - [ -0.0000323900000000, 0.0001804100000000, -0.0000765300000000 ] - [ -0.0006819000000000, -0.0017008700000000, 0.0013487000000000 ] - [ -0.0000601500000000, 0.0000140100000000, 0.0002459000000000 ] - [ -0.0001250800000000, -0.0002661900000000, -0.0002644500000000 ] - [ -0.0001346500000000, -0.0001687700000000, -0.0000465900000000 ] - [ 0.0001132900000000, -0.0000774100000000, -0.0001803800000000 ] - [ 0.0004671500000000, -0.0006057000000000, -0.0002209000000000 ] - [ -0.0002378100000000, -0.0007822100000000, 0.0004216200000000 ] - [ -0.0001422000000000, -0.0002815600000000, 0.0002219500000000 ] - [ -0.0001637700000000, -0.0003705000000000, -0.0002147000000000 ] - [ -0.0001747400000000, -0.0003328700000000, -0.0002158200000000 ] - [ 0.0002966800000000, -0.0007413600000000, 0.0002131100000000 ] - [ 0.0001530600000000, -0.0003303200000000, 0.0002328000000000 ] - [ 0.0002351500000000, -0.0000220200000000, -0.0000100000000000 ] - [ 0.0001518900000000, 0.0001156600000000, 0.0005151600000000 ] - [ -0.0001456100000000, 0.0001754900000000, -0.0002155300000000 ] - [ -0.0002452300000000, 0.0002173300000000, -0.0001102200000000 ] - [ 0.0004053000000000, 0.0003176800000000, -0.0004349500000000 ] - [ 0.0002091900000000, 0.0003995600000000, -0.0001644000000000 ] - [ -0.0001125000000000, 0.0002971600000000, 0.0002017900000000 ] - [ -0.0001956900000000, 0.0006817300000000, 0.0005675800000000 ] - [ -0.0001535000000000, -0.0003156800000000, 0.0002192600000000 ] - [ -0.0001781000000000, -0.0003848500000000, 0.0001812500000000 ] - [ 0.0001601500000000, -0.0004724600000000, -0.0001680900000000 ] - [ 0.0001231900000000, -0.0002786500000000, -0.0001753300000000 ] - [ 0.0000713600000000, 0.0001029600000000, 0.0001606600000000 ] - [ 0.0000822900000000, 0.0000314100000000, 0.0001591900000000 ] - [ 0.0004485400000000, -0.0001407600000000, -0.0004228700000000 ] - [ -0.0000375800000000, 0.0000932800000000, -0.0000640700000000 ] - [ -0.0001004200000000, -0.0001373400000000, -0.0000676900000000 ] - [ -0.0002160100000000, -0.0003277700000000, -0.0000086600000000 ] - [ 0.0000645700000000, -0.0000506000000000, 0.0001345600000000 ] - [ 0.0000401400000000, -0.0001364000000000, 0.0000920400000000 ] - [ -0.0003944300000000, 0.0009219400000000, -0.0004571200000000 ] - [ -0.0000740800000000, 0.0001891400000000, 0.0001037200000000 ] - [ -0.0006097900000000, 0.0010031100000000, -0.0006626800000000 ] - [ -0.0000060700000000, 0.0003672200000000, -0.0001086700000000 ] - [ -0.0003453600000000, -0.0001923500000000, 0.0001351100000000 ] - [ 0.0026914100000000, 0.0015606700000000, -0.0027285000000000 ] - [ 0.0013320300000000, 0.0014017800000000, 0.0009051000000000 ] - [ 0.0003404500000000, -0.0002337400000000, -0.0002055500000000 ] - [ -0.0021168700000000, -0.0025948400000000, 0.0000832000000000 ] - [ 0.0009635300000000, -0.0019388800000000, -0.0009195200000000 ] - [ -0.0002655900000000, -0.0005578400000000, 0.0003258700000000 ] - [ 0.0005135200000000, -0.0016491700000000, -0.0007569700000000 ] - [ -0.0013411600000000, 0.0016668800000000, -0.0014083300000000 ] - [ -0.0002126500000000, 0.0000405200000000, 0.0001081000000000 ] - [ -0.0031295400000000, 0.0054536400000000, -0.0026552500000000 ] - [ 0.0000161200000000, 0.0000087400000000, -0.0000390800000000 ] - [ -0.0009140700000000, -0.0011012100000000, -0.0012587300000000 ] - [ -0.0000843900000000, -0.0001501500000000, 0.0000899400000000 ] - [ -0.0000596700000000, -0.0002393400000000, -0.0002134400000000 ] - [ -0.0000038200000000, -0.0001655800000000, -0.0001420100000000 ] - [ 0.0000507400000000, 0.0000648000000000, -0.0001784300000000 ] - [ 0.0002311400000000, 0.0002126400000000, -0.0001852500000000 ] - [ 0.0001395100000000, 0.0001794100000000, 0.0000416500000000 ] - [ 0.0001481100000000, 0.0003506800000000, 0.0002953800000000 ] - [ 0.0001612500000000, 0.0000279900000000, -0.0000840700000000 ] - [ 0.0001419600000000, 0.0000745000000000, -0.0001185700000000 ] - [ -0.0000928100000000, -0.0000020700000000, 0.0000490500000000 ] - [ -0.0002511700000000, 0.0004365600000000, -0.0003034700000000 ] - [ -0.0007254000000000, 0.0010464200000000, 0.0010400700000000 ] - [ -0.0003122700000000, 0.0000443400000000, -0.0000702100000000 ] - [ -0.0000163900000000, 0.0000234400000000, -0.0004143600000000 ] - [ 0.0001490300000000, 0.0001162000000000, -0.0000922900000000 ] - [ -0.0000945600000000, 0.0000216800000000, 0.0000351600000000 ] - [ 0.0000593300000000, 0.0000657400000000, 0.0000216700000000 ] - [ 0.0028871000000000, 0.0013540800000000, -0.0006006900000000 ] - [ -0.0000042700000000, 0.0000583800000000, 0.0000474700000000 ] - [ 0.0003232000000000, -0.0003527800000000, -0.0002122800000000 ] - [ 0.0002096600000000, -0.0007201100000000, 0.0006267600000000 ] - [ -0.0000140400000000, -0.0002853400000000, -0.0000556300000000 ] - [ 0.0000661600000000, -0.0002996100000000, 0.0000261000000000 ] - [ -0.0041362000000000, -0.0167381100000000, -0.0047677900000000 ] - [ -0.0001107000000000, 0.0000797200000000, -0.0000927500000000 ] - [ 0.0002925300000000, -0.0003651300000000, 0.0002575200000000 ] - [ 0.0001318100000000, 0.0000798900000000, 0.0000157400000000 ] - [ 0.0000647700000000, -0.0002417700000000, -0.0000820300000000 ] - [ -0.0001087200000000, -0.0003833000000000, 0.0001268900000000 ] - [ 0.0000379200000000, -0.0000439200000000, -0.0004743000000000 ] - [ -0.0004739700000000, -0.0000483600000000, 0.0011700900000000 ] - [ -0.0002516500000000, 0.0009779200000000, 0.0006038900000000 ] - [ -0.0000184000000000, 0.0002844900000000, -0.0001674000000000 ] - [ 0.0004226500000000, 0.0006220400000000, -0.0000353200000000 ] - [ 0.0000713000000000, 0.0002358300000000, 0.0000554100000000 ] - [ -0.0000453100000000, 0.0001190800000000, 0.0000313400000000 ] - [ 0.0000165100000000, 0.0000456200000000, 0.0000763300000000 ] - [ 0.0000067800000000, -0.0000168300000000, -0.0000242800000000 ] - [ 0.0001279900000000, 0.0009055500000000, -0.0002735700000000 ] - [ -0.0001648300000000, 0.0003384400000000, -0.0000774600000000 ] - [ -0.0000266200000000, 0.0002720100000000, -0.0000533900000000 ] - [ 0.0001149100000000, 0.0004488100000000, 0.0000577500000000 ] - [ -0.0000009500000000, 0.0003845900000000, 0.0000490300000000 ] - [ 0.0000431400000000, -0.0001718300000000, 0.0001237800000000 ] - [ -0.0008708400000000, 0.0004506600000000, -0.0005357200000000 ] - [ 0.0000256700000000, -0.0001576400000000, -0.0000365600000000 ] - [ 0.0000197300000000, -0.0001577800000000, -0.0000503000000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002569800000000, -0.0005369000000000, 0.0001116900000000 ] - [ 0.0000049500000000, -0.0005587500000000, -0.0001183900000000 ] - [ -0.0001224600000000, 0.0008159700000000, -0.0006853000000000 ] - [ -0.0000378500000000, -0.0001215300000000, -0.0000049300000000 ] - [ -0.0000684000000000, 0.0002554100000000, 0.0004692500000000 ] - [ 0.0004058500000000, -0.0000233900000000, -0.0003906900000000 ] - [ -0.0001137200000000, 0.0004266000000000, -0.0000937100000000 ] - [ 0.0000291600000000, 0.0000974800000000, -0.0000247700000000 ] - [ 0.0000846100000000, -0.0000367500000000, 0.0002084300000000 ] - [ -0.0001085100000000, -0.0000469400000000, 0.0001638600000000 ] - [ 0.0002647300000000, 0.0000699300000000, -0.0002991500000000 ] - [ 0.0003137600000000, 0.0000450400000000, -0.0000534400000000 ] - [ 0.0001031100000000, -0.0000879800000000, -0.0002183900000000 ] - [ -0.0002605400000000, -0.0012049300000000, -0.0012884800000000 ] - [ 0.0000090600000000, -0.0001295800000000, 0.0002409100000000 ] - [ -0.0000421000000000, -0.0000528300000000, 0.0001984300000000 ] - [ -0.0017241800000000, -0.0023689400000000, 0.0002589100000000 ] - [ -0.0003960900000000, -0.0009377100000000, -0.0003405900000000 ] - [ 0.0003798700000000, -0.0006495000000000, 0.0002321600000000 ] - [ 0.0001527300000000, -0.0003754600000000, 0.0001709200000000 ] - [ -0.0004532100000000, -0.0000913100000000, -0.0003265900000000 ] - [ 0.0001178500000000, 0.0001389100000000, 0.0002468100000000 ] - [ -0.0001211600000000, 0.0001442000000000, -0.0003332600000000 ] - [ -0.0024656800000000, -0.0079688500000000, -0.0065254500000000 ] - [ -0.0000196400000000, 0.0006229300000000, -0.0004662000000000 ] - [ -0.0000172300000000, 0.0002713400000000, -0.0001755700000000 ] - [ -0.0001873400000000, 0.0002810700000000, 0.0002145300000000 ] - [ -0.0009684400000000, 0.0013397100000000, -0.0003237500000000 ] - [ -0.0005880900000000, -0.0004114600000000, -0.0013035100000000 ] - [ 0.0002209900000000, -0.0004207400000000, -0.0001245700000000 ] - [ 0.0004744000000000, -0.0009379900000000, -0.0007641000000000 ] - [ 0.0000614100000000, -0.0003266600000000, -0.0001406500000000 ] - [ -0.0003449800000000, 0.0009912400000000, -0.0007721200000000 ] - [ -0.0000572700000000, 0.0000675600000000, 0.0003501300000000 ] - [ -0.0003701600000000, 0.0004163900000000, -0.0001720100000000 ] - [ -0.0001001000000000, 0.0000217300000000, -0.0001354300000000 ] - [ 0.0002436500000000, -0.0001327500000000, 0.0003047500000000 ] - [ 0.0002081400000000, -0.0002087000000000, -0.0003865100000000 ] - [ -0.0005182600000000, -0.0003569600000000, 0.0002004700000000 ] - [ 0.0008514900000000, -0.0011598300000000, -0.0000679700000000 ] - [ 0.0000008100000000, 0.0001670400000000, -0.0000028200000000 ] - [ 0.0000155300000000, 0.0002986600000000, -0.0000503400000000 ] - [ -0.0002939500000000, 0.0001253500000000, -0.0000572100000000 ] - [ -0.0000395900000000, -0.0001140700000000, -0.0000338400000000 ] - [ 0.0000803900000000, 0.0000661000000000, -0.0000795400000000 ] - [ 0.0001212300000000, 0.0002088500000000, 0.0001827600000000 ] - [ -0.0000933100000000, -0.0001977700000000, -0.0001061900000000 ] - [ 0.0000340600000000, -0.0001439900000000, 0.0000750800000000 ] - [ 0.0004767100000000, 0.0016320300000000, -0.0009417400000000 ] - [ -0.0001400500000000, -0.0000906400000000, 0.0001487200000000 ] - [ 0.0003271700000000, 0.0001921900000000, -0.0001322700000000 ] - [ 0.0003321800000000, 0.0000906900000000, -0.0003460300000000 ] - [ 0.0000872800000000, 0.0001532500000000, -0.0002143300000000 ] - [ -0.0002705600000000, 0.0006844100000000, -0.0001723000000000 ] - [ 0.0000369200000000, 0.0008570300000000, -0.0000276800000000 ] - [ -0.0000586300000000, 0.0003573700000000, 0.0001739600000000 ] - [ -0.0001022200000000, -0.0000804300000000, -0.0001908900000000 ] - [ -0.0000898700000000, -0.0001172100000000, -0.0001887300000000 ] - [ -0.0000282900000000, 0.0002874700000000, 0.0001929600000000 ] - [ 0.0001140100000000, -0.0001215100000000, 0.0001738200000000 ] - [ 0.0000325000000000, 0.0004739600000000, 0.0004160300000000 ] - [ 0.0001136400000000, 0.0003351100000000, -0.0001064500000000 ] - [ -0.0001200100000000, 0.0002746900000000, -0.0001899000000000 ] - [ -0.0000239700000000, 0.0002342300000000, -0.0002955400000000 ] - [ -0.0001823300000000, 0.0001692900000000, 0.0000440000000000 ] - [ 0.0000143200000000, 0.0000874200000000, -0.0002231300000000 ] - [ -0.0001088700000000, 0.0001880600000000, 0.0001875100000000 ] - [ -0.0000261500000000, -0.0001927100000000, -0.0001768100000000 ] - [ -0.0000684700000000, -0.0001713900000000, 0.0001703300000000 ] - [ -0.0000436100000000, -0.0001022300000000, 0.0002091900000000 ] - [ 0.0000612600000000, -0.0000135200000000, -0.0002189800000000 ] - [ 0.0000977500000000, -0.0002074900000000, -0.0002129300000000 ] - [ 0.0000685000000000, -0.0001039800000000, 0.0001348100000000 ] - [ 0.0000571700000000, -0.0000321600000000, 0.0001351000000000 ] - [ -0.0005892900000000, 0.0001414200000000, 0.0001328300000000 ] - [ -0.0001033800000000, -0.0000953500000000, -0.0002307900000000 ] - [ -0.0000393500000000, 0.0001389600000000, -0.0002283100000000 ] - [ 0.0000758300000000, 0.0003277300000000, -0.0002851200000000 ] - [ 0.0000753200000000, 0.0000516400000000, 0.0001606800000000 ] - [ 0.0001011400000000, 0.0001372700000000, 0.0002028200000000 ] - [ 0.0003583400000000, -0.0008197100000000, 0.0006692900000000 ] - [ 0.0000294600000000, -0.0000848300000000, 0.0001094500000000 ] - [ 0.0006564300000000, -0.0009021600000000, 0.0004578600000000 ] - [ 0.0000499800000000, -0.0002644700000000, -0.0001048300000000 ] - [ 0.0003886600000000, 0.0000855600000000, -0.0003511800000000 ] - [ -0.0026121100000000, -0.0016712000000000, 0.0024755600000000 ] - [ -0.0013830100000000, -0.0015094000000000, -0.0006943600000000 ] - [ -0.0003813500000000, 0.0001272700000000, 0.0004164700000000 ] - [ 0.0023828600000000, 0.0023262200000000, -0.0002504600000000 ] - [ -0.0006862200000000, 0.0016862600000000, 0.0007712600000000 ] - [ -0.0000111700000000, 0.0003022600000000, -0.0001786400000000 ] - [ -0.0007898200000000, 0.0013930500000000, 0.0009049300000000 ] - [ 0.0010658500000000, -0.0014282900000000, 0.0015587400000000 ] - [ -0.0000656500000000, 0.0002147500000000, 0.0000373000000000 ] - [ 0.0034227600000000, -0.0052687800000000, 0.0025010200000000 ] - [ 0.0002631000000000, 0.0002443300000000, -0.0001086200000000 ] - [ 0.0008865100000000, 0.0011721000000000, 0.0014493000000000 ] - [ 0.0000426100000000, 0.0002529600000000, 0.0001217300000000 ] - [ 0.0001035100000000, 0.0003368300000000, -0.0000008200000000 ] - [ 0.0000446600000000, 0.0002659100000000, -0.0000689100000000 ] - [ -0.0000072300000000, -0.0001698600000000, -0.0000350500000000 ] - [ -0.0001880200000000, -0.0003184300000000, -0.0000305900000000 ] - [ -0.0001818500000000, -0.0002818300000000, 0.0001691300000000 ] - [ -0.0001915200000000, -0.0004554800000000, -0.0000826700000000 ] - [ 0.0001167700000000, -0.0002803600000000, -0.0000650400000000 ] - [ 0.0001341100000000, -0.0003295000000000, -0.0000315700000000 ] - [ -0.0001834900000000, -0.0002516400000000, 0.0000994000000000 ] - [ -0.0000262100000000, -0.0006885500000000, 0.0004492900000000 ] - [ 0.0004459900000000, -0.0007899100000000, -0.0008898700000000 ] - [ 0.0000340100000000, 0.0002076800000000, 0.0002179700000000 ] - [ 0.0002940400000000, 0.0002274400000000, 0.0002632300000000 ] - [ 0.0001266500000000, 0.0001362800000000, -0.0000580700000000 ] - [ 0.0000662900000000, 0.0002616400000000, -0.0000793100000000 ] - [ -0.0000889600000000, 0.0002171000000000, -0.0000662900000000 ] - [ -0.0028859600000000, -0.0010754500000000, 0.0006488800000000 ] - [ 0.0000336600000000, 0.0002243700000000, -0.0000039900000000 ] - [ -0.0002876100000000, 0.0000675000000000, 0.0002537400000000 ] - [ -0.0001839600000000, 0.0004419200000000, -0.0005792800000000 ] - [ -0.0000150900000000, 0.0000029300000000, 0.0000111300000000 ] - [ -0.0000904500000000, 0.0000188700000000, -0.0000718400000000 ] - [ 0.0040592500000000, 0.0176825700000000, 0.0048549700000000 ] - [ 0.0000228100000000, 0.0003324100000000, -0.0000275900000000 ] - [ -0.0002060000000000, 0.0007785900000000, -0.0001387000000000 ] - [ -0.0000438200000000, 0.0003324000000000, 0.0001033100000000 ] - [ 0.0000226600000000, -0.0001712300000000, 0.0002015100000000 ] - [ 0.0001974200000000, -0.0000294900000000, -0.0000073400000000 ] - [ -0.0001286800000000, -0.0003615400000000, 0.0003541200000000 ] - [ 0.0003851700000000, -0.0003661900000000, -0.0012918400000000 ] - [ 0.0002203000000000, -0.0006914600000000, -0.0006416200000000 ] - [ -0.0000108000000000, -0.0000026600000000, 0.0001224800000000 ] - [ -0.0003896800000000, -0.0003399800000000, 0.0000799000000000 ] - [ -0.0000420000000000, 0.0000463000000000, -0.0000120300000000 ] - [ 0.0000747300000000, -0.0004026600000000, 0.0000136200000000 ] - [ 0.0000128300000000, -0.0003287400000000, -0.0000322500000000 ] - [ -0.0000361300000000, -0.0002663800000000, -0.0000203800000000 ] - [ -0.0001564900000000, -0.0011825800000000, 0.0002264500000000 ] - [ 0.0000773900000000, 0.0000735500000000, -0.0000413800000000 ] - [ -0.0000616400000000, 0.0001402300000000, -0.0000665000000000 ] - [ -0.0000279600000000, -0.0000364100000000, 0.0000628800000000 ] - [ 0.0000883300000000, 0.0000276700000000, 0.0000697000000000 ] - [ 0.0000449600000000, -0.0002416000000000, -0.0000045300000000 ] - [ 0.0009467200000000, -0.0008600800000000, 0.0006479100000000 ] - [ -0.0001138100000000, -0.0002554700000000, -0.0000829100000000 ] - [ -0.0001072400000000, -0.0002555800000000, -0.0000685300000000 ]- atom: 121 displacement: [ -0.0026229129804857, 0.0000000000000000, 0.0096498874344108 ] forces: - [ -0.0006570000000000, -0.0001145600000000, -0.0010020300000000 ] - [ 0.0008292900000000, -0.0001660400000000, -0.0001354300000000 ] - [ 0.0004694400000000, -0.0002438900000000, 0.0000501600000000 ] - [ -0.0000526600000000, -0.0000828300000000, -0.0001643400000000 ] - [ -0.0001621800000000, -0.0002883500000000, -0.0002916200000000 ] - [ 0.0007046900000000, 0.0006403700000000, -0.0000534900000000 ] - [ -0.0000364000000000, -0.0000288200000000, 0.0002281400000000 ] - [ 0.0000725400000000, 0.0000669000000000, -0.0001938800000000 ] - [ -0.0000732500000000, -0.0000472900000000, 0.0002390100000000 ] - [ -0.0001444600000000, -0.0000284700000000, 0.0001479200000000 ] - [ 0.0002768800000000, 0.0001618300000000, -0.0003560100000000 ] - [ -0.0000348300000000, -0.0003287500000000, -0.0002622100000000 ] - [ 0.0002377100000000, -0.0000680700000000, -0.0004279700000000 ] - [ 0.0021115400000000, 0.0009847100000000, 0.0025800500000000 ] - [ -0.0000766200000000, 0.0000689000000000, 0.0003624500000000 ] - [ -0.0001692900000000, 0.0000164400000000, 0.0001625300000000 ] - [ -0.0013297200000000, -0.0012125600000000, -0.0009554800000000 ] - [ -0.0001886800000000, -0.0006368900000000, -0.0008327900000000 ] - [ 0.0004133000000000, -0.0003758100000000, 0.0005359700000000 ] - [ -0.0001954200000000, -0.0000994600000000, -0.0002196800000000 ] - [ 0.0002339500000000, 0.0002646100000000, 0.0004025900000000 ] - [ 0.0001724100000000, 0.0001975500000000, 0.0000527400000000 ] - [ -0.0000974500000000, 0.0002458200000000, -0.0005816500000000 ] - [ 0.0011773500000000, 0.0039026200000000, 0.0048991500000000 ] - [ 0.0001013800000000, 0.0001709200000000, 0.0000175000000000 ] - [ 0.0001639700000000, 0.0002357800000000, -0.0003244300000000 ] - [ -0.0001835500000000, 0.0003423900000000, 0.0000364500000000 ] - [ 0.0004209700000000, -0.0001172400000000, 0.0008849600000000 ] - [ 0.0007037300000000, 0.0006599500000000, 0.0017776700000000 ] - [ 0.0006800000000000, -0.0000895200000000, -0.0003645800000000 ] - [ -0.0001936900000000, -0.0000531600000000, 0.0002670300000000 ] - [ 0.0000040000000000, -0.0003894100000000, -0.0004684900000000 ] - [ 0.0004374000000000, -0.0004669700000000, 0.0009128800000000 ] - [ 0.0001400800000000, 0.0000567800000000, -0.0000996700000000 ] - [ -0.0001732400000000, 0.0002009900000000, 0.0000603700000000 ] - [ -0.0001079200000000, -0.0000523200000000, -0.0003140400000000 ] - [ -0.0003617900000000, -0.0001463800000000, -0.0003825400000000 ] - [ 0.0002166500000000, 0.0000797800000000, -0.0001231400000000 ] - [ -0.0000835300000000, -0.0006374200000000, -0.0009022000000000 ] - [ 0.0019000100000000, -0.0003706100000000, 0.0015927900000000 ] - [ 0.0000145300000000, 0.0001110900000000, -0.0000350300000000 ] - [ -0.0000744400000000, 0.0000473800000000, -0.0000167500000000 ] - [ 0.0003876100000000, -0.0003345500000000, 0.0001844100000000 ] - [ -0.0000958300000000, -0.0000795000000000, -0.0001383400000000 ] - [ 0.0000711500000000, -0.0000165100000000, -0.0001190600000000 ] - [ -0.0000849200000000, -0.0000090300000000, 0.0001651600000000 ] - [ -0.0001635800000000, 0.0002545500000000, 0.0005232400000000 ] - [ -0.0000039100000000, 0.0000578000000000, -0.0003614900000000 ] - [ -0.0003317200000000, 0.0004027100000000, 0.0009678100000000 ] - [ 0.0000411800000000, -0.0004019900000000, -0.0001494900000000 ] - [ -0.0004995300000000, -0.0006459900000000, -0.0000638900000000 ] - [ 0.0003599000000000, 0.0001558500000000, -0.0003218600000000 ] - [ 0.0000779400000000, 0.0000484300000000, -0.0002594000000000 ] - [ 0.0002830700000000, -0.0000841500000000, -0.0000826600000000 ] - [ -0.0001679000000000, -0.0001863600000000, 0.0004594100000000 ] - [ -0.0000381200000000, 0.0000794300000000, 0.0000962300000000 ] - [ -0.0001235200000000, -0.0002337000000000, -0.0001792600000000 ] - [ -0.0001340900000000, -0.0002459300000000, -0.0002734800000000 ] - [ 0.0001051900000000, -0.0001066100000000, 0.0003998000000000 ] - [ 0.0001403700000000, -0.0002485900000000, 0.0000717500000000 ] - [ 0.0001120000000000, 0.0000645200000000, 0.0001224200000000 ] - [ 0.0000685400000000, 0.0003546300000000, 0.0000146400000000 ] - [ -0.0001826900000000, 0.0002141500000000, -0.0003314500000000 ] - [ -0.0000626900000000, 0.0002321800000000, -0.0000188100000000 ] - [ 0.0002562200000000, 0.0002198400000000, -0.0001685800000000 ] - [ 0.0000263400000000, 0.0002553600000000, -0.0003426200000000 ] - [ -0.0001503600000000, 0.0002759600000000, 0.0000311300000000 ] - [ -0.0001516600000000, 0.0004561400000000, 0.0006322600000000 ] - [ -0.0000075000000000, -0.0001555500000000, 0.0000981200000000 ] - [ -0.0002008300000000, -0.0002701500000000, 0.0001905000000000 ] - [ 0.0000978200000000, -0.0002235900000000, -0.0001626400000000 ] - [ 0.0001168600000000, -0.0002263800000000, -0.0002621900000000 ] - [ 0.0001566500000000, -0.0000494500000000, 0.0002885800000000 ] - [ 0.0000052700000000, 0.0000442600000000, 0.0000279100000000 ] - [ 0.0003245600000000, 0.0000199900000000, -0.0003612600000000 ] - [ -0.0001030700000000, -0.0001360100000000, -0.0003958300000000 ] - [ -0.0000448800000000, 0.0000648200000000, -0.0002173000000000 ] - [ -0.0001826200000000, -0.0001363400000000, -0.0000961100000000 ] - [ 0.0001086800000000, 0.0000179800000000, 0.0000929800000000 ] - [ 0.0000112400000000, -0.0000189400000000, 0.0001807500000000 ] - [ -0.0002658200000000, 0.0002559600000000, -0.0005159900000000 ] - [ 0.0000994700000000, -0.0001157000000000, 0.0002643000000000 ] - [ -0.0001993400000000, 0.0001967800000000, -0.0005605500000000 ] - [ -0.0000622000000000, 0.0000999300000000, 0.0001154900000000 ] - [ 0.0005267700000000, 0.0004497300000000, 0.0006519600000000 ] - [ -0.0026178200000000, -0.0042308500000000, -0.0014342800000000 ] - [ 0.0017586500000000, 0.0017472400000000, 0.0020027600000000 ] - [ -0.0007056900000000, -0.0002749000000000, 0.0001341500000000 ] - [ 0.0015638400000000, 0.0014121300000000, 0.0042005700000000 ] - [ -0.0016646100000000, 0.0019016000000000, 0.0024322700000000 ] - [ 0.0003765300000000, 0.0004219900000000, 0.0009156500000000 ] - [ -0.0014606200000000, -0.0002722600000000, -0.0002096400000000 ] - [ -0.0000044300000000, 0.0000929600000000, 0.0003251000000000 ] - [ -0.0001988900000000, 0.0001347600000000, 0.0003302500000000 ] - [ -0.0022017000000000, 0.0013535200000000, -0.0032382600000000 ] - [ 0.0001393500000000, 0.0000058100000000, 0.0003266200000000 ] - [ -0.0009797500000000, -0.0010165200000000, -0.0017973100000000 ] - [ -0.0001255100000000, 0.0002070000000000, 0.0004242300000000 ] - [ -0.0001448400000000, -0.0000567300000000, -0.0004186400000000 ] - [ 0.0002268100000000, 0.0001115800000000, 0.0000877200000000 ] - [ -0.0000166500000000, -0.0001296400000000, -0.0000188100000000 ] - [ 0.0000617000000000, 0.0000442400000000, -0.0001387300000000 ] - [ -0.0002394900000000, -0.0002345200000000, 0.0004819300000000 ] - [ 0.0003219400000000, 0.0000741000000000, 0.0000714800000000 ] - [ 0.0000786300000000, -0.0001494300000000, 0.0000337800000000 ] - [ 0.0002282700000000, -0.0001105800000000, -0.0000601000000000 ] - [ -0.0001797500000000, -0.0001918500000000, 0.0002272800000000 ] - [ 0.0000252700000000, -0.0000418300000000, -0.0000624900000000 ] - [ -0.0006376900000000, 0.0007877700000000, 0.0008170600000000 ] - [ -0.0000284600000000, 0.0000333300000000, 0.0003525900000000 ] - [ -0.0000599000000000, 0.0000065800000000, -0.0005308600000000 ] - [ 0.0002221900000000, 0.0001458900000000, 0.0001242400000000 ] - [ -0.0001036500000000, 0.0001033600000000, -0.0001614400000000 ] - [ 0.0000441000000000, 0.0001447800000000, 0.0001224800000000 ] - [ 0.0002332000000000, -0.0003507900000000, -0.0013414100000000 ] - [ -0.0000346900000000, 0.0001092700000000, 0.0003250300000000 ] - [ -0.0012608900000000, 0.0000484400000000, 0.0006676400000000 ] - [ 0.0006862200000000, 0.0002214000000000, 0.0008684600000000 ] - [ 0.0000913300000000, -0.0001720700000000, 0.0000386600000000 ] - [ -0.0000567800000000, -0.0001585200000000, -0.0001021500000000 ] - [ -0.0006842600000000, -0.0033420700000000, -0.0141966200000000 ] - [ -0.0001299400000000, 0.0001922200000000, 0.0004726100000000 ] - [ 0.0004178500000000, 0.0000798900000000, -0.0002381500000000 ] - [ -0.0000869000000000, 0.0002715600000000, 0.0003047600000000 ] - [ 0.0001790800000000, -0.0003493100000000, 0.0000882200000000 ] - [ -0.0001243200000000, -0.0001018100000000, 0.0000078000000000 ] - [ 0.0001383200000000, -0.0015111600000000, 0.0005028000000000 ] - [ -0.0002422100000000, 0.0002140700000000, 0.0004002900000000 ] - [ -0.0000385200000000, 0.0006718500000000, -0.0001234100000000 ] - [ -0.0000547900000000, -0.0000173400000000, 0.0002681800000000 ] - [ -0.0000962400000000, 0.0000135700000000, -0.0003048300000000 ] - [ 0.0000697400000000, 0.0001850200000000, 0.0002153500000000 ] - [ -0.0000050500000000, 0.0000348000000000, 0.0000393500000000 ] - [ -0.0000358800000000, -0.0002286300000000, 0.0000832100000000 ] - [ -0.0000258300000000, -0.0000503400000000, 0.0000293800000000 ] - [ -0.0000379300000000, -0.0002525800000000, -0.0000746500000000 ] - [ -0.0001394700000000, 0.0002206100000000, -0.0002190600000000 ] - [ -0.0000087200000000, 0.0002080700000000, 0.0000447700000000 ] - [ 0.0000881700000000, 0.0002273300000000, -0.0001097700000000 ] - [ 0.0000256400000000, 0.0002047300000000, 0.0002213000000000 ] - [ -0.0001024700000000, -0.0001436700000000, 0.0002080500000000 ] - [ 0.0003721100000000, -0.0005410800000000, -0.0002449100000000 ] - [ 0.0000853500000000, -0.0001986200000000, -0.0000095000000000 ] - [ -0.0001056400000000, -0.0002103600000000, -0.0000605000000000 ]- atom: 121 displacement: [ 0.0026229129804857, 0.0000000000000000, -0.0096498874344108 ] forces: - [ 0.0006504900000000, 0.0002903100000000, 0.0009917200000000 ] - [ -0.0008362200000000, 0.0003444800000000, 0.0001360300000000 ] - [ -0.0004688600000000, 0.0000708400000000, -0.0000474500000000 ] - [ 0.0000529900000000, -0.0000939700000000, 0.0001652300000000 ] - [ 0.0001603100000000, 0.0002531700000000, 0.0002942900000000 ] - [ -0.0007113800000000, -0.0006825800000000, 0.0000520100000000 ] - [ 0.0000347000000000, 0.0000650200000000, -0.0002270600000000 ] - [ -0.0000721800000000, -0.0000296700000000, 0.0001921000000000 ] - [ -0.0001275600000000, -0.0000307100000000, 0.0001556000000000 ] - [ -0.0000545200000000, -0.0000503000000000, 0.0002444800000000 ] - [ -0.0000748100000000, -0.0002374900000000, -0.0000401800000000 ] - [ 0.0002326500000000, 0.0002515300000000, -0.0001325400000000 ] - [ -0.0000375100000000, 0.0001452700000000, 0.0000333700000000 ] - [ -0.0019279700000000, -0.0009047000000000, -0.0029413600000000 ] - [ -0.0001248900000000, 0.0000080800000000, 0.0000333700000000 ] - [ -0.0000294400000000, 0.0000628300000000, 0.0002277100000000 ] - [ 0.0009971200000000, 0.0007034800000000, 0.0006627300000000 ] - [ -0.0000760400000000, 0.0001904100000000, 0.0004277900000000 ] - [ -0.0001511300000000, -0.0000728900000000, -0.0001327000000000 ] - [ 0.0004575300000000, -0.0003495600000000, 0.0006214900000000 ] - [ 0.0000326500000000, 0.0001865800000000, 0.0000051000000000 ] - [ 0.0000912100000000, 0.0002514800000000, 0.0003503300000000 ] - [ -0.0001678500000000, 0.0002050900000000, 0.0001742700000000 ] - [ -0.0014606900000000, -0.0035654700000000, -0.0053377700000000 ] - [ 0.0001185600000000, 0.0003117300000000, -0.0004039000000000 ] - [ 0.0000585300000000, 0.0002508200000000, -0.0000656500000000 ] - [ -0.0000385100000000, 0.0001439600000000, 0.0003501500000000 ] - [ -0.0006407300000000, 0.0006012900000000, -0.0004939500000000 ] - [ -0.0008839000000000, -0.0011066500000000, -0.0013467800000000 ] - [ -0.0009016300000000, -0.0003965300000000, 0.0007537100000000 ] - [ 0.0004331100000000, -0.0004320300000000, -0.0006659200000000 ] - [ 0.0002155800000000, -0.0000975500000000, 0.0000787100000000 ] - [ -0.0002996900000000, 0.0004649100000000, -0.0006159100000000 ] - [ 0.0000005100000000, -0.0000583000000000, 0.0003934500000000 ] - [ 0.0000352000000000, -0.0002045100000000, -0.0003553100000000 ] - [ -0.0000337500000000, 0.0000509200000000, 0.0000186600000000 ] - [ 0.0002226900000000, 0.0001459400000000, 0.0000887600000000 ] - [ -0.0003573400000000, -0.0000795100000000, -0.0001753500000000 ] - [ 0.0002237400000000, 0.0006331300000000, 0.0011887600000000 ] - [ -0.0017545900000000, 0.0004024200000000, -0.0014140700000000 ] - [ -0.0000139700000000, 0.0000656400000000, 0.0000340200000000 ] - [ 0.0000762800000000, 0.0001295800000000, 0.0000179900000000 ] - [ -0.0003837600000000, 0.0001576800000000, -0.0001795400000000 ] - [ 0.0000957600000000, -0.0000991800000000, 0.0001387000000000 ] - [ -0.0000722000000000, -0.0000201900000000, 0.0001208100000000 ] - [ 0.0000854400000000, -0.0000284200000000, -0.0001646500000000 ] - [ 0.0001623200000000, -0.0002162600000000, -0.0005186800000000 ] - [ 0.0000045000000000, -0.0000204000000000, 0.0003609600000000 ] - [ 0.0001387800000000, -0.0004685600000000, -0.0005841800000000 ] - [ -0.0002398400000000, 0.0003208400000000, 0.0005409800000000 ] - [ 0.0006933000000000, 0.0005624000000000, -0.0003294100000000 ] - [ -0.0001609400000000, -0.0002331600000000, -0.0000735500000000 ] - [ 0.0001212700000000, 0.0000292700000000, -0.0001344200000000 ] - [ -0.0000812300000000, 0.0001605900000000, -0.0003121900000000 ] - [ -0.0000315700000000, 0.0002641200000000, -0.0000658600000000 ] - [ -0.0001602900000000, -0.0000015600000000, 0.0002963500000000 ] - [ -0.0001415600000000, -0.0002167000000000, -0.0002257400000000 ] - [ -0.0001332800000000, -0.0002055300000000, -0.0001339300000000 ] - [ 0.0001576500000000, -0.0003403300000000, 0.0000035300000000 ] - [ 0.0001250300000000, -0.0002019800000000, 0.0003321900000000 ] - [ 0.0001519000000000, 0.0003844600000000, 0.0002819500000000 ] - [ 0.0001956300000000, 0.0000928500000000, 0.0003876300000000 ] - [ -0.0000820400000000, 0.0002347300000000, -0.0000728800000000 ] - [ -0.0002063700000000, 0.0002217400000000, -0.0003876400000000 ] - [ -0.0000344400000000, 0.0002678300000000, -0.0002185600000000 ] - [ 0.0001950600000000, 0.0002302800000000, -0.0000487400000000 ] - [ -0.0000709300000000, 0.0002101300000000, 0.0003578700000000 ] - [ -0.0000735100000000, 0.0000343600000000, -0.0002372100000000 ] - [ -0.0002134900000000, -0.0003301700000000, 0.0002894600000000 ] - [ -0.0000195300000000, -0.0002144500000000, 0.0001976400000000 ] - [ 0.0001251700000000, -0.0002646900000000, -0.0002274400000000 ] - [ 0.0001036500000000, -0.0002587200000000, -0.0001269100000000 ] - [ -0.0000193200000000, 0.0000465700000000, 0.0000088300000000 ] - [ 0.0001363800000000, -0.0000461400000000, 0.0002665400000000 ] - [ -0.0004661100000000, -0.0000140500000000, 0.0000682600000000 ] - [ -0.0000380700000000, 0.0001334900000000, 0.0001005600000000 ] - [ -0.0000942500000000, -0.0000633000000000, -0.0000776900000000 ] - [ 0.0000395100000000, 0.0001363100000000, -0.0001986700000000 ] - [ 0.0000323100000000, -0.0000151800000000, 0.0002027100000000 ] - [ 0.0001270700000000, 0.0000212300000000, 0.0001149900000000 ] - [ 0.0002215200000000, -0.0001486800000000, 0.0007256500000000 ] - [ -0.0001409800000000, 0.0002180600000000, -0.0000517200000000 ] - [ 0.0002450100000000, -0.0000917900000000, 0.0003445500000000 ] - [ 0.0001032000000000, 0.0000023200000000, -0.0003256500000000 ] - [ -0.0004768400000000, -0.0005494300000000, -0.0008610800000000 ] - [ 0.0026839900000000, 0.0041628700000000, 0.0012549100000000 ] - [ -0.0017884000000000, -0.0018359900000000, -0.0017644300000000 ] - [ 0.0006678400000000, 0.0001728600000000, 0.0000787000000000 ] - [ -0.0012790700000000, -0.0016595600000000, -0.0042824600000000 ] - [ 0.0019534400000000, -0.0021647800000000, -0.0026022800000000 ] - [ -0.0006465300000000, -0.0006712200000000, -0.0007607100000000 ] - [ 0.0011866000000000, 0.0000295100000000, 0.0003682600000000 ] - [ -0.0002762600000000, 0.0001663200000000, -0.0001817200000000 ] - [ -0.0000773900000000, 0.0001200000000000, -0.0001790400000000 ] - [ 0.0024692500000000, -0.0010824200000000, 0.0030758700000000 ] - [ 0.0001362300000000, 0.0002468100000000, -0.0004734900000000 ] - [ 0.0009518100000000, 0.0010960300000000, 0.0019716700000000 ] - [ 0.0000816900000000, -0.0001012300000000, -0.0002114200000000 ] - [ 0.0001864800000000, 0.0001566100000000, 0.0002051800000000 ] - [ -0.0001863300000000, -0.0000092900000000, -0.0002974300000000 ] - [ 0.0000585000000000, 0.0000248500000000, -0.0001927600000000 ] - [ -0.0000161500000000, -0.0001504000000000, -0.0000764600000000 ] - [ 0.0001963800000000, 0.0001304900000000, -0.0002685300000000 ] - [ -0.0003658000000000, -0.0001780200000000, 0.0001447800000000 ] - [ 0.0001978800000000, -0.0001051900000000, -0.0001829100000000 ] - [ 0.0000492400000000, -0.0001435200000000, -0.0000886100000000 ] - [ -0.0000973600000000, -0.0000622000000000, -0.0000787500000000 ] - [ -0.0003004300000000, -0.0002116400000000, 0.0002109700000000 ] - [ 0.0003603600000000, -0.0005321800000000, -0.0006657800000000 ] - [ -0.0002493400000000, 0.0002234800000000, -0.0002024300000000 ] - [ 0.0003380300000000, 0.0002452300000000, 0.0003746300000000 ] - [ 0.0000534300000000, 0.0001087700000000, -0.0002737100000000 ] - [ 0.0000736100000000, 0.0001791600000000, 0.0001163300000000 ] - [ -0.0000730800000000, 0.0001375900000000, -0.0001657100000000 ] - [ -0.0001958900000000, 0.0006451700000000, 0.0013735800000000 ] - [ 0.0000629300000000, 0.0001719700000000, -0.0002802500000000 ] - [ 0.0012803600000000, -0.0003302400000000, -0.0006187300000000 ] - [ -0.0006642100000000, -0.0005081100000000, -0.0008249900000000 ] - [ -0.0001205100000000, -0.0001105000000000, -0.0000838600000000 ] - [ 0.0000332700000000, -0.0001216500000000, 0.0000567400000000 ] - [ 0.0006012500000000, 0.0037921500000000, 0.0140138900000000 ] - [ 0.0000414300000000, 0.0002202000000000, -0.0005908700000000 ] - [ -0.0003290500000000, 0.0003312000000000, 0.0003544000000000 ] - [ 0.0001754700000000, 0.0001408400000000, -0.0001843100000000 ] - [ -0.0000903100000000, -0.0000649500000000, 0.0000302100000000 ] - [ 0.0002125800000000, -0.0003116500000000, 0.0001124400000000 ] - [ -0.0002255600000000, 0.0010895200000000, -0.0006172400000000 ] - [ 0.0001523600000000, -0.0006293300000000, -0.0005133800000000 ] - [ 0.0000086200000000, -0.0003869400000000, 0.0000768000000000 ] - [ 0.0000250800000000, 0.0003010500000000, -0.0003117500000000 ] - [ 0.0001252600000000, 0.0002683400000000, 0.0003493900000000 ] - [ -0.0000400100000000, 0.0000978900000000, -0.0001705700000000 ] - [ 0.0000338300000000, -0.0003157000000000, 0.0000046500000000 ] - [ 0.0000650800000000, -0.0000535900000000, -0.0000381300000000 ] - [ -0.0000036200000000, -0.0002314700000000, -0.0000742000000000 ] - [ 0.0000083500000000, -0.0000321600000000, 0.0000317700000000 ] - [ 0.0000509400000000, 0.0001918000000000, 0.0000983900000000 ] - [ -0.0000787200000000, 0.0002047300000000, -0.0001636400000000 ] - [ -0.0000009000000000, 0.0001847900000000, 0.0002274800000000 ] - [ 0.0000615700000000, 0.0002081600000000, -0.0001013400000000 ] - [ 0.0001889400000000, -0.0002683600000000, -0.0000891300000000 ] - [ -0.0002828800000000, 0.0001242600000000, 0.0003679500000000 ] - [ -0.0001713900000000, -0.0002144700000000, -0.0001101800000000 ] - [ 0.0000185300000000, -0.0002027800000000, -0.0000575400000000 ]